smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1 90758 OEOHSCLSWPDYNN-UHFFFAOYSA-N 328.349 3.663 0 50 EHAA COc1cc(CN2CCC(Cc3ccccc3)CC2)cc2c1OCO2 211066 LSKNGQNEXMJWPG-UHFFFAOYSA-N 339.435 3.879 0 50 EHAA O=C(/C=C/c1ccccc1)Nc1ccccc1I 274641 BECCRYOPTTUWHM-ZHACJKMWSA-N 349.171 3.943 0 50 EHAA COc1cc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC 303560 GECYZIGKAYAAJC-VOTSOKGWSA-N 341.407 3.981 0 50 EHAA O=C(Nc1nnc(CCc2ccccc2)s1)c1ccccc1F 447872 CKUGHLRCZBKDBZ-UHFFFAOYSA-N 327.384 3.715 0 50 EHAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccccc1F 453940 ODSOUHMHJNXDNU-UHFFFAOYSA-N 338.791 3.615 0 50 EHAA Cc1cc(C)cc(NC(=S)NC(=O)COc2ccc(C)c(C)c2)c1 456516 CHZZHRDCLZOGMT-UHFFFAOYSA-N 342.464 3.812 0 50 EHAA CCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 457326 DNZBVNHGZDZABF-UHFFFAOYSA-N 325.393 3.718 0 50 EHAA CCOC(=O)C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C 2270199 QKEGVMIPPNNWJI-YOEHRIQHSA-N 338.407 3.528 0 50 EHAA CC[C@H](NC(=O)Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1 2764006 KLVIEHPBUYVSKL-KRWDZBQOSA-N 327.424 3.822 0 50 EHAA CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2F)CC1 2812242 RXJREEOPPPFHLI-UHFFFAOYSA-N 334.435 3.875 0 50 EHAA Cc1ccc(S(=O)(=O)NC(C)(C)CSc2ccccc2)cc1 2876330 LXYGZUNWYSZYLT-UHFFFAOYSA-N 335.494 3.844 0 50 EHAA CC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(C(C)C)cc1 4732461 JOPVXDYKYNDWIY-UHFFFAOYSA-N 335.411 3.736 0 50 EHAA C[C@@H](CCc1ccccc1)NC(=O)c1cn2cc(Cl)ccc2n1 12322002 ZQGHZFUQSLYPAH-ZDUSSCGKSA-N 327.815 3.739 0 50 EHAA COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(OC)c1 12380835 RJCXVYSCBYWBOX-LLVKDONJSA-N 335.787 3.763 0 50 EHAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3ccncc3)C2)c1 12448023 LYHDVCBRWHBKEK-IBGZPJMESA-N 338.451 3.964 0 50 EHAA Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C)c2Cl)n1 12552664 IAKDABOQVYNYIL-UHFFFAOYSA-N 331.224 3.806 0 50 EHAA Cc1ccc(C(=O)Nc2nnc(Cc3nc4ccccc4[nH]3)s2)cc1 13535849 KLCCUHKBVJIZLA-UHFFFAOYSA-N 349.419 3.566 0 50 EHAA CCN1CCC(N[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)CC1 15065817 VYZYHKBNZDLRJR-CYBMUJFWSA-N 348.441 3.594 0 50 EHAA O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2cc[nH]n2)C1 19114273 PREAHGFGYBXXKN-CYBMUJFWSA-N 337.345 3.523 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccc(F)c2)c(C)c1 20402040 OFHSPVXQIICRSL-GOSISDBHSA-N 340.398 3.686 0 50 EHAA O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1cccc(F)c1 20404185 WQELHBYOSBWSSY-INIZCTEOSA-N 346.789 3.722 0 50 EHAA Cc1ccccc1CN1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 20418547 CZADFTOAFKOPBH-UHFFFAOYSA-N 349.478 3.833 0 50 EHAA C[C@@H]1[C@H]2CCCN2CCN1Cc1cccc(OCc2ccccc2)c1 22078358 WDSDWHQNSMKURR-XMSQKQJNSA-N 336.479 3.934 0 50 EHAA Cc1ccccc1-n1c(S)nnc1-c1sc2ncccc2c1N 30714425 OZKQYFGVFQEALB-UHFFFAOYSA-N 339.449 3.723 0 50 EHAA CN(C)c1ncccc1CNC(=O)C(c1ccccc1)c1ccccc1 32687011 GRBLLKOUXWJLDM-UHFFFAOYSA-N 345.446 3.596 0 50 EHAA O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1ccc2c(c1)CCC2 54004430 BBDNHNUCYJHNPA-UHFFFAOYSA-N 349.434 3.624 0 50 EHAA COc1cccc([C@@H]2CCCCN2Cc2ccc(N(C)C)nc2)c1 72411508 LVGICTSAWYVHET-IBGZPJMESA-N 325.456 3.883 0 50 EHAA Cc1ccccc1SC1CCN(C(=O)CCCn2cccn2)CC1 77337602 GIBDBELEYOEBLJ-UHFFFAOYSA-N 343.496 3.755 0 50 EHAA O=C([C@H](F)c1ccccc1)N1CCC(c2nccn2CC2CC2)CC1 82137544 ZXLXNYIHDDTQFY-GOSISDBHSA-N 341.430 3.710 0 50 EHAA Cc1nc([C@H](C)NC(=O)C2CCN(C3CCCCC3)CC2)c(C)s1 95376073 MAOKPINBCQJGLN-ZDUSSCGKSA-N 349.544 3.982 0 50 EHAA CSc1ccc2c(c1)CCN(C(=O)c1cccc(-n3cccn3)c1)C2 96136001 PFBLPYNSVICIIM-UHFFFAOYSA-N 349.459 3.793 0 50 EHAA CCOc1ccc([C@H]2CCCN2C(=O)c2[nH]nc3c2CCCC3)cc1 119789562 PCQUNUAPTFMLFB-GOSISDBHSA-N 339.439 3.665 0 50 EHAA Cc1cc(C[C@H](C)NC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)n[nH]1 158206782 DZDSKKIZZUHQSS-SUMWQHHRSA-N 344.459 3.877 0 50 EHAA CN(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H](N2CCCC2)C1 171440254 KVZZTUSDCDYHLN-LJQANCHMSA-N 349.478 3.765 0 50 EHAA CC(C)c1noc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)n1 183476552 GGSAUKWNFRRWCA-GFCCVEGCSA-N 335.276 3.864 0 50 EHAA C[C@H](Cc1ccccn1)N(C)Cc1cnn(-c2ccccc2Cl)c1 215337873 IKYDXLHPEXXHOR-OAHLLOKOSA-N 340.858 3.984 0 50 EHAA CN(Cc1cc(-c2ccccn2)no1)C(=O)c1ccn(C(C)(C)C)c1 222736163 KJGPRMXKZQKYJR-UHFFFAOYSA-N 338.411 3.565 0 50 EHAA Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CCNC1 225471965 HLAQTGXCTIMJCD-ZWNOBZJWSA-N 349.887 3.559 0 50 EHAA CCCOc1ccc(/C=C/C(=O)Nc2nc(C)cc(C)n2)cc1OC 225492382 OKTQTMUOXIPVRT-VQHVLOKHSA-N 341.411 3.543 0 50 EHAA C[C@H]1[C@H](C)CCC[C@H]1NC1=NN=C(c2cccc([N+](=O)[O-])c2)CS1 248131581 AYHLQCBYPRKGOI-TYNCELHUSA-N 346.456 3.816 0 50 EHAA CCN(C(=O)c1cc2cc(Cl)ccn2n1)[C@@H](C)c1cccnc1 252479349 BDJACFDQCNYXOA-LBPRGKRZSA-N 328.803 3.606 0 50 EHAA CSc1cccc(F)c1C(=O)NC[C@](C)(CO)Cc1ccccc1 253395195 GVOKWQDAUOAFLT-LJQANCHMSA-N 347.455 3.519 0 50 EHAA Cc1cc(N2CCC[C@H](c3nccs3)C2)nc(-c2cccnc2)n1 253420065 RHQLGGBHGNCYOM-HNNXBMFYSA-N 337.452 3.688 0 50 EHAA COc1cc(C(=O)N[C@@H](C)C[C@H](O)c2cccs2)ccc1Cl 270595907 YWCYDSIXAIEEQM-GWCFXTLKSA-N 339.844 3.652 0 50 EHAA Cc1cc(C)nc(-c2noc([C@H](CC(C)C)N3CCCCC3=O)n2)c1 329732073 QAWUYFWCXHGPBK-INIZCTEOSA-N 342.443 3.848 0 50 EHAA N=C(O)OC[C@H](Cc1ccccc1)NCc1cnc(C2CCC2)s1 496036300 NSSFCLCCGLFEPG-HNNXBMFYSA-N 345.468 3.621 0 50 EHAA CCn1c(C)cc2cc(NC(=O)CCN3CCCCCC3=O)ccc21 952963729 JXWGSBBFNNZDTL-UHFFFAOYSA-N 341.455 3.701 0 50 EHAA COc1ccc(F)c(CN2CCC([C@H](O)c3cccs3)CC2)c1 952991326 XBXLSVUQEKWGCI-SFHVURJKSA-N 335.444 3.841 0 50 EHAA O=C(Nc1cncc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 1338427663 VGBIUWLOUHKECX-UHFFFAOYSA-N 338.285 3.514 0 50 EHAA Cc1cnc([C@@H](C)NC2CCN(c3ccc(C)c(Cl)c3)CC2)[nH]1 1506400571 FAUFMZFLSTYWKQ-CQSZACIVSA-N 332.879 4.000 0 50 EHAA c1ccc(COc2ccccc2CN2CCc3cnccc3C2)nc1 2325824074 OIIOZSURHVQZJO-UHFFFAOYSA-N 331.419 3.614 0 50 EHAA Cc1cc(=O)oc2cc(Oc3ccnc4ccnn34)c(Cl)cc12 2325869405 LXSDCTJNPJNROX-UHFFFAOYSA-N 327.727 3.590 0 50 EHAA Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 44718 PMFHLBMNBWGGON-CQSZACIVSA-N 342.826 3.948 0 50 EHAA COc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1 96553 HDODPOUWJFNQPE-UHFFFAOYSA-N 341.798 3.846 0 50 EHAA COc1cc(Cl)c(C)cc1NC(=O)c1ccc(OC(C)=O)cc1 2881520 PKVCWCHLSKRDTI-UHFFFAOYSA-N 333.771 3.835 0 50 EHAA CCOc1ccccc1OCCN(C)Cc1ccc(NC(C)=O)cc1 55243022 HVYVPQFJOGDGPK-UHFFFAOYSA-N 342.439 3.555 0 50 EHAA O=C(NC[C@H](c1ccco1)N1CCCC1)C12CC3CC(CC(C3)C1)C2 8514425 JOWULBJTBYIARV-IGDKPHCXSA-N 342.483 3.749 0 50 EHAA Cn1cc(-c2ccnc(/C=C/c3ccc(-c4cnn(C)c4)s3)n2)cn1 225748324 VKWFJGHYKGIMIB-GQCTYLIASA-N 348.435 3.510 0 50 EHAA Nc1nc2c(c(Nc3ccccc3)n1)C(=O)C[C@@H](c1ccccc1)C2 9361174 QHLYVJAJXDHDGX-AWEZNQCLSA-N 330.391 3.715 0 50 EHAA CC[C@H](C)N(Cc1ccccc1Cl)Cc1nccn1CCOC 55344353 VZLGPBUNZKWUQD-HNNXBMFYSA-N 335.879 3.984 0 50 EHAA CCn1cc(CN(Cc2cccn2-c2ccccn2)CC(C)C)cn1 55327740 QUUZKMMEMOVXMW-UHFFFAOYSA-N 337.471 3.747 0 50 EHAA CCc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(F)cc1 20399305 RMMDNENQEOXSEK-GOSISDBHSA-N 340.398 3.631 0 50 EHAA CCCc1cc(N2CCN(Cc3cccc4[nH]ccc34)CC2)nc(C)n1 67770899 RJKMIVOZHUMSNX-UHFFFAOYSA-N 349.482 3.541 0 50 EHAA CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@H]2c2cccn2C)c1C 248157393 WCFKXMADLVLUML-YOEHRIQHSA-N 341.455 3.581 0 50 EHAA Cc1cc([C@@H]2CCCN2C(=O)c2cc(F)c(F)cc2Cl)on1 21718634 BHKLOJSMGVPYHZ-ZDUSSCGKSA-N 326.730 3.892 0 50 EHAA CCN(CC)Cc1nnc2sc(/C=C/c3ccc(Cl)cc3)nn12 65365881 CCVVYQUWWBGONE-JXMROGBWSA-N 347.875 3.851 0 50 EHAA Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1[nH]cnc1C)CCO2 67840689 JDDBEPJXMQTTBN-UHFFFAOYSA-N 349.434 3.794 0 50 EHAA Cc1cccc(OC(C)(C)C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1C 67790478 WJOSNCJUNFBFPJ-INIZCTEOSA-N 341.455 3.590 0 50 EHAA Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(N)c23)cc1 2564240 LLBKOVASFNYDEY-UHFFFAOYSA-N 333.363 3.890 0 50 EHAA Cc1ccc(C[C@@H](C)Nc2cncc(-n3nc(C)cc3C)n2)c(C)c1 170623260 PUSVRZIBAHDXSC-OAHLLOKOSA-N 335.455 3.939 0 50 EHAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc3c2ccn3C)C12CCCC2 170637053 YHVRNHURHBDIPM-RTBURBONSA-N 340.467 3.988 0 50 EHAA Cc1ncsc1CN(Cc1cc2ccccc2o1)C[C@H]1CCNC1 328624853 CRCWYOHPWDLJJK-HNNXBMFYSA-N 341.480 3.809 0 50 EHAA CC(C)[C@@H](NCc1nnnn1C)c1ccc(C2CCCCC2)cc1 329383557 OXGFHHPOQCSHTA-LJQANCHMSA-N 327.476 3.745 0 50 EHAA CCc1nc(N)sc1C(=O)N1CCCC[C@@H]1CCc1ccccc1 77470899 AYCJVISTLXYCPB-OAHLLOKOSA-N 343.496 3.915 0 50 EHAA CCCN1CCN(C(=O)C[C@@H]2CCCCC(O)=N2)c2ccc(F)cc21 329813419 STVGHMAFBIRXKU-HNNXBMFYSA-N 347.434 3.678 0 50 EHAA COc1ccc2[nH]c(CNc3cc(C(C)C)nc4ccnn34)cc2c1 72407798 OKJRIULCDAOWQT-UHFFFAOYSA-N 335.411 3.955 0 50 EHAA CN(Cc1ccc(Oc2ccccc2)o1)C[C@H]1CCn2ccnc2C1 377860465 MSLMIMDGVCWRCI-INIZCTEOSA-N 337.423 3.963 0 50 EHAA Cc1[nH]c2ccc(CNc3cc(C(=O)NC4CC4)ccn3)cc2c1C 71774727 IWKVSSFDWHPCHM-UHFFFAOYSA-N 334.423 3.684 0 50 EHAA COc1ccccc1-c1nc(CN2CCC[C@@]3(CCOC3)C2)cs1 451909518 ZXYOZVHNBAQQIV-LJQANCHMSA-N 344.480 3.821 0 50 EHAA Cc1c(CN2Cc3ccccc3O[C@@H](c3ccccc3)C2)cnn1C 14954550 GGICTNSJVDHVRU-OAQYLSRUSA-N 333.435 3.864 0 50 EHAA O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H]2OCCC[C@H]2C1 130356064 OOLSGSPJJRFWDG-FZMZJTMJSA-N 328.334 3.738 0 50 EHAA Fc1ccc2c(c1)[C@@H](NCc1ccc(N3CCCC3)nc1)CCCO2 131525006 SKGQLVSYHSWLAF-SFHVURJKSA-N 341.430 3.824 0 50 EHAA O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)N(Cc1ccccn1)Cc1ccco1 426422025 SEGYHVCTUNPEDC-IKGGRYGDSA-N 337.423 3.599 0 50 EHAA O=C(c1ccc(-c2cccc3c2OC(F)(F)O3)nc1)N1CCCCC1 426496953 NWWSLNRGBQAQNZ-UHFFFAOYSA-N 346.333 3.696 0 50 EHAA Cc1ccccc1[C@H]1CCCN(C(=O)c2ccccc2-n2cncn2)C1 82161015 NDBFYVRIWCSMNF-KRWDZBQOSA-N 346.434 3.596 0 50 EHAA CCC[C@@H](C(=O)NC)n1ccnc1-c1ccc(F)c(Cl)c1F 82097494 ISRDGUGYSFZRLR-NSHDSACASA-N 327.762 3.569 0 50 EHAA CC(C)n1ccnc1CNC(=O)c1ccc2cccc(Cl)c2n1 426529510 XETPAKJGXNUHNS-UHFFFAOYSA-N 328.803 3.596 0 50 EHAA CC(C)CC(C)(C)C(=O)N1CCC(OC[C@@H]2CCCCO2)CC1 177345848 QMEYDMKAXQYZGL-KRWDZBQOSA-N 325.493 3.635 0 50 EHAA Cc1cccc(C)c1OC1CN(C(=O)c2cccc(OC(F)F)c2)C1 91452530 XCQVMXWYCKRYPK-UHFFFAOYSA-N 347.361 3.808 0 50 EHAA COc1ccc(C(=O)N2CCC(c3nccn3C(C)C)CC2)c(C)c1 91830303 KRTWXXPNRSVAMS-UHFFFAOYSA-N 341.455 3.801 0 50 EHAA CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)N[C@@H]2CCCNC2=O)c1 97394161 IOTAVAXUTHWQQU-OAHLLOKOSA-N 345.487 3.682 0 50 EHAA Cc1cccc2cc(C(=O)NCCCn3ncc4ccccc43)n(C)c12 95388487 VFQVNCMFUGNHBU-UHFFFAOYSA-N 346.434 3.657 0 50 EHAA COc1cccc([C@@H]2CCCCN2C(=O)Nc2c(C)nn(C)c2C)c1 96153102 BFTAMKRDJDORHZ-KRWDZBQOSA-N 342.443 3.805 0 50 EHAA Cc1cc([C@H]2CCCCN2CC(=O)Nc2cccc(F)c2C)no1 244831522 UFGZQFNVUAXAGU-QGZVFWFLSA-N 331.391 3.596 0 50 EHAA CC[C@@H](NC(=O)c1ccc(-c2cccc(OC)c2)cc1)[C@H]1C[C@H](O)C1 244690893 IYULTAFLZJLKGX-QWFCFKBJSA-N 339.435 3.642 0 50 EHAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1C3=C([C@H]4CC[C@H]3C4)[C@H]2C12CC2 257358487 USXNIBNTAIGNMK-LVDWOWPYSA-N 331.415 3.559 0 50 EHAA O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(F)c(Cl)c1 253408783 LBMXKXUOVFJNEE-UHFFFAOYSA-N 336.794 3.815 0 50 EHAA CCOCC(C)(C)NC(=O)N(Cc1ccccn1)C1CCCCC1 534653376 JWNDRKWHCOQUIS-UHFFFAOYSA-N 333.476 3.741 0 50 EHAA O=C(O)C[C@@H]1CCCN(CCOc2ccc(C(F)(F)F)cc2)CC1 299745899 TYUPSQODNOZSLK-CYBMUJFWSA-N 345.361 3.661 0 50 EHAA c1ccc(CCc2nnc3n2CCN(CC2CCCCC2)CC3)cc1 299771976 YOUNISUDHGIYFT-UHFFFAOYSA-N 338.499 3.502 0 50 EHAA CCn1nc(C)c([C@H](C)NC(=O)c2ccc(-c3cnco3)cc2)c1C 670452219 QAKBTRMMQUZZNT-LBPRGKRZSA-N 338.411 3.666 0 50 EHAA Cc1ccc([C@@H](C)CCN2CCN(Cc3cccc(O)c3)CC2)o1 670467425 ZYTFVXMNNMBXIV-INIZCTEOSA-N 328.456 3.605 0 50 EHAA C[C@@H](NCc1ccccc1-c1ccc(CN(C)C)cc1)c1ccnn1C 192649197 ACEVAWLABOGBIY-QGZVFWFLSA-N 348.494 4.000 0 50 EHAA C1CCN(C2(CNC3CSCCSC3)CCCCC2)CC1 1506400222 BBWJFUCNJUDOFP-UHFFFAOYSA-N 328.591 3.613 0 50 EHAA CC[C@H](NCc1ccc(OC)c(OCC(=O)O)c1)c1ccc(C)cc1 1506400470 VXDMRUZBTONNJI-KRWDZBQOSA-N 343.423 3.708 0 50 EHAA O=C(c1cccnc1NCc1ccc(F)cc1Cl)N1CCCC1 1704353729 KMGFUFZLVVJMOO-UHFFFAOYSA-N 333.794 3.722 0 50 EHAA COc1cccc2cc(C(=O)Oc3ccc(Cl)cc3)c(=O)oc12 619450 QDYMHDVVCZWLKF-UHFFFAOYSA-N 330.723 3.674 0 50 EHAA Cc1ccccc1-c1nnc(-c2nnn(-c3ccccc3C)c2C)o1 11692827 XLXBTKQKNDTENZ-UHFFFAOYSA-N 331.379 3.910 0 50 EHAA CCn1cc(CN2CCC(CO)(CCCc3ccccc3)CC2)cn1 11879496 BFZWSUQSWDDPNJ-UHFFFAOYSA-N 341.499 3.500 0 50 EHAA O=C(CSc1ccccc1)N1CCC[C@@H](Nc2ccccc2)C1 12437756 AQNSATIUKOMMOI-QGZVFWFLSA-N 326.465 3.882 0 50 EHAA Cc1cccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)c1 18094015 RTPDVVROUMTCFO-UHFFFAOYSA-N 349.419 3.545 0 50 EHAA CCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2)cc1 2985245 VXHCLEIENZZFJW-UHFFFAOYSA-N 328.437 3.992 0 50 EHAA COc1ccc(C(=O)NCCSCc2cccc(C)c2)cc1OC 2986396 GGIGWKYVWRUMMZ-UHFFFAOYSA-N 345.464 3.675 0 50 EHAA CSCc1cc(C(=O)N2CCCC[C@H]2CCC(=O)O)ccc1F 237380104 AGTRQECEBDTVSZ-AWEZNQCLSA-N 339.432 3.548 0 50 EHAA Cc1ccc(C)c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1 155442051 WKTVFDFTNBNLAU-QGZVFWFLSA-N 337.467 3.654 0 50 EHAA Cc1ccc([C@H]2CCCCN2C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 158312732 OPIPWIVCLZEIDU-DNVCBOLYSA-N 340.471 3.894 0 50 EHAA O=C(Cc1cccc(C(F)(F)F)n1)Nc1cncc2c1CCCC2 824692027 ZNEMEGIOVDBPET-UHFFFAOYSA-N 335.329 3.555 0 50 EHAA CCOC(=O)[C@H](CC)SCc1cnc(C)c2c1COC(C)(C)O2 1875280841 BGNVITZRKUWOAL-AWEZNQCLSA-N 339.457 3.610 0 50 EHAA CC[C@@H]1CCCc2sc(NC(=O)c3cncc(C(=O)O)c3C)nc21 1875277166 BEFSGFJLNXSOMG-SNVBAGLBSA-N 345.424 3.627 0 50 EHAA CN(C)Cc1c(C(=O)N[C@@H]2CCCc3cccnc32)oc2ccccc12 885369465 NEOJHKYQFJKTDC-QGZVFWFLSA-N 349.434 3.697 0 50 EHAA OC[C@@H]1CN(c2cc(C3CCCCC3)ncn2)CC[C@H]1C(F)(F)F 1775989555 PCMWOULDUWDQEM-UONOGXRCSA-N 343.393 3.521 0 50 EHAA CO[C@H]1C[C@H](c2nnc(C)o2)N(Cc2csc3ccccc23)C1 1775959120 IRILDTDDYABSLR-DZGCQCFKSA-N 329.425 3.555 0 50 EHAA O=C(NCc1ccc2c(c1)OCO2)c1ccc2c3c(cccc13)CC2 35976 XVXXDUJPCKHVKO-UHFFFAOYSA-N 331.371 3.597 0 50 EHAA CCN(CC)CCCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1 1834230 YOGRCFGKZFSFHV-NRFANRHFSA-N 347.499 3.730 0 50 EHAA COc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1OC 15722459 LPKXJUPNNJDFCD-UHFFFAOYSA-N 342.420 3.548 0 50 EHAA Clc1cc(Cl)c2c(c1)CC[C@@H]2NC[C@H]1CCC2(COC2)O1 2325765170 PIXPXCGKSMLHIU-OCCSQVGLSA-N 328.239 3.518 0 50 EHAA Cc1nn(Cc2ccccc2)c(C)c1CN1Cc2ccccc2[C@H](N)C1 2325777614 OXUIDXKSELCJCH-JOCHJYFZSA-N 346.478 3.564 0 50 EHAA CN1CCN(C(=O)NC[C@@H]2CCCC(C)(C)C2)C[C@H]1c1cccs1 2325842851 KRTNGFZJBIERQH-CVEARBPZSA-N 349.544 3.963 0 50 EHAA COc1cc(N(C)Cc2ccccc2Cl)nc(C2CCOCC2)n1 2325865302 WXOBZHNBCCXRRO-UHFFFAOYSA-N 347.846 3.669 0 50 EHAA COc1ccc2[nH]cc(CCNC(=S)Nc3ccccc3)c2c1 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COc1ccc(C(=O)c2cn[nH]c2-c2cc(Cl)ccc2O)cc1 8566876 HDHLPBFVINFKNA-UHFFFAOYSA-N 328.755 3.675 0 50 EHAA O=C(Nc1cccc(OCCOc2ccccc2)c1)c1ccncc1 9826793 MVDMRWWMTJUECR-UHFFFAOYSA-N 334.375 3.792 0 50 EHAA Cn1nc(C(F)(F)F)cc1[C@H]1CCCCCN1C(=O)c1ccco1 12119633 KYAKYCJHONNDQI-LLVKDONJSA-N 341.333 3.789 0 50 EHAA Cc1cccc(C)c1Oc1ncccc1CNCc1cnc(C)n1C 12445033 BTORZHQZWYFJQD-UHFFFAOYSA-N 336.439 3.822 0 50 EHAA Cc1cc(CNC(=S)Nc2cccc(Cl)c2Cl)nn1C 13519208 QEWPBKCXVNTVEV-UHFFFAOYSA-N 329.256 3.522 0 50 EHAA O=C(C1CCCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 13744451 MQAPAAQQIJVEMR-UHFFFAOYSA-N 327.255 3.832 0 50 EHAA O=C(Nc1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 20398460 YTTFICYXFVXJRL-INIZCTEOSA-N 346.789 3.722 0 50 EHAA O=C(c1csc(-c2cccs2)n1)N1CCOc2ccccc21 20780206 RUWPQXGUWVMOFX-UHFFFAOYSA-N 328.418 3.911 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1Cl 55041909 OSMZHLLGYWFPRZ-UHFFFAOYSA-N 344.798 3.876 0 50 EHAA O=C(c1ccc2[nH]cnc2c1)N1CCCC[C@H]1CCc1ccc(O)cc1 55269511 YLTKMLBQIJDUJT-KRWDZBQOSA-N 349.434 3.896 0 50 EHAA CCOc1ccc(-c2c[nH]c(-c3cc4c(cc3OC)OCO4)n2)cc1 65381831 UWOSWQWCAOPSQV-UHFFFAOYSA-N 338.363 3.880 0 50 EHAA COc1ccc(C(C)C)cc1CN1CCC(C(=O)N2CCCC2)CC1 71761484 OQRFRCZEJGCHEI-UHFFFAOYSA-N 344.499 3.653 0 50 EHAA CCCn1ccnc1-c1nccn1-c1cccc(-c2ccnc(C)n2)c1 72135140 KIFSRKDDMURZLY-UHFFFAOYSA-N 344.422 3.911 0 50 EHAA CC(C)c1noc(-c2ccc(NCc3nc4ccccc4[nH]3)nc2)n1 72422138 AJBHBZFSDNCMEV-UHFFFAOYSA-N 334.383 3.743 0 50 EHAA CN(Cc1cnn(-c2ccccc2)c1)c1noc(-c2ccccc2)n1 77379422 PPVOOFRXFNDZPX-UHFFFAOYSA-N 331.379 3.559 0 50 EHAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)C1(c2ccc(F)cc2)CC1 91908275 BFMPLDDHVHULLD-LJQANCHMSA-N 349.409 3.612 0 50 EHAA C[C@@]1(c2ccccc2)CCC(=O)N(Cc2cc(-c3cccnc3)no2)C1 92038125 QJKDCJHAMWBGGD-OAQYLSRUSA-N 347.418 3.817 0 50 EHAA O=C(CCc1ccsc1)N1CCC(c2nccn2CC2CC2)CC1 95373834 RJVGGSKGKFYCKF-UHFFFAOYSA-N 343.496 3.693 0 50 EHAA CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cc(C2CC2)on1 97732696 YQXLYIGYJNWQEP-UHFFFAOYSA-N 326.375 3.509 0 50 EHAA Fc1cnc(-c2ccc(C3CCCC3)cc2)nc1N1CCOCC1 97813683 FLWDLCZNUPSEFE-UHFFFAOYSA-N 327.403 3.777 0 50 EHAA Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O 109667677 SUZHLFPAWCNOMD-GOSISDBHSA-N 349.434 3.873 0 50 EHAA COc1ccc2c(c1)CN(C(=O)c1ncoc1C)[C@H](c1ccccc1)C2 122560378 PFZGMOKEYQKWFU-IBGZPJMESA-N 348.402 3.931 0 50 EHAA CS[C@@H](C)CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 156214368 AOLQYGLCDNDXBW-ZDUSSCGKSA-N 340.920 3.562 0 50 EHAA Cc1nc(N[C@H](C)c2noc(C)n2)c2c3c(sc2n1)CCCC3 162000871 GSHFTVJLSCPUBX-MRVPVSSYSA-N 329.429 3.743 0 50 EHAA O=C(C[C@H]1OCCc2ccccc21)Nc1ccc2c(c1)C(=O)CCC2 177988429 PBNBHEWREVCYMK-HXUWFJFHSA-N 335.403 3.848 0 50 EHAA O=C(NCCc1ccc2c(c1)CCO2)N[C@@H]1CCCc2sccc21 184638995 NKLOFKPMHRUKPS-MRXNPFEDSA-N 342.464 3.602 0 50 EHAA CCNc1ccc(Cl)cc1C(=O)N1CCO[C@H](c2ccco2)C1 190417058 XQPQJURRPIIBQL-INIZCTEOSA-N 334.803 3.579 0 50 EHAA COc1cc2c(cc1CN(C)Cc1ccnc3ccccc13)OCO2 215023600 GYCWFJLBCHSLCA-UHFFFAOYSA-N 336.391 3.604 0 50 EHAA Cc1cc(C(=O)NCc2csc3c2CCCC3)c2c(C)noc2n1 215840418 WHNSLNCUVUYXSP-UHFFFAOYSA-N 341.436 3.710 0 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COc1cccc2c1OCC(CN(C)[C@@H](C)Cc1ncccc1C)=C2 824801370 PRGNMWXZHNNAFF-INIZCTEOSA-N 338.451 3.737 0 50 EHAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CCOc2ccccc2Cl)C1 888102884 SKVKALFYZGOZDP-ZBFHGGJFSA-N 349.862 3.521 0 50 EHAA CC(C)c1ccc(-n2ccnc2SCCN2CCOC2=O)cc1 912965477 VEUBHDSHKZTIFO-UHFFFAOYSA-N 331.441 3.540 0 50 EHAA C[C@@H](NC(=O)N(C)CCN(C)C1CCCC1)c1ccc(Cl)cc1 1506405567 CJXHLDYULBRZFW-CQSZACIVSA-N 337.895 3.917 0 50 EHAA NCc1cccc(C(=O)Nc2ccc(-c3cccc(F)c3F)cn2)c1 1529190104 DTAQORAAUDEOQJ-UHFFFAOYSA-N 339.345 3.738 0 50 EHAA CCCCOc1ccc(S(=O)(=O)n2ccc(C)n2)c2ccccc12 1775988960 VBIKSNFPNFVDPK-UHFFFAOYSA-N 344.436 3.761 0 50 EHAA COCC(=O)Nc1cccc(Oc2ccc3sc(C)nc3c2)c1 1800409529 HPMZQGHEDPYIIH-UHFFFAOYSA-N 328.393 3.982 0 50 EHAA CN1CC[C@H](n2ccnc2-c2ccc(N(C)c3ccccc3)cc2)C1=O 1857671294 DIHAIQIQDHGYFY-IBGZPJMESA-N 346.434 3.721 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2nc3ccccc3[nH]2)C[C@H](C(C)C)O1 1875246221 BKYFDARHZDKOIO-RHSMWYFYSA-N 329.444 3.619 0 50 EHAA Cc1nc(CN(C)Cc2csc(-c3ccc(C(C)C)cc3)n2)n[nH]1 1875260986 JHBUWOVHCQKNNN-UHFFFAOYSA-N 341.484 3.992 0 50 EHAA COc1ccccc1OCc1cn(-c2cccc(C(F)(F)F)c2)nn1 1875354615 YLAWOZOUZWDWAK-UHFFFAOYSA-N 349.312 3.874 0 50 EHAA COc1cncc(/C=C/C(=O)NCCCSc2ccc(F)cc2)c1 2325729110 FZKLQCICTUGVIH-FPYGCLRLSA-N 346.427 3.541 0 50 EHAA CN(c1cc(Cl)nc([C@@H]2CCCO2)n1)[C@@H]1C[C@@H]1c1ccccc1 2325761514 LGZRAUGMCUDOOJ-KFWWJZLASA-N 329.831 3.974 0 50 EHAA Cc1[nH]c2c(C)cccc2c1CCNCc1cc(Cl)cnc1O 2325796805 OXMUQEPKKHLQGV-UHFFFAOYSA-N 329.831 3.871 0 50 EHAA C[C@@H](NCc1ccn(-c2ccccc2)n1)C1=Cc2ccccc2OC1 2325859049 LZWOHQWVPLEAOF-MRXNPFEDSA-N 331.419 3.826 0 50 EHAA CCc1ccc([C@H](C)NC(=O)c2cncc(Br)c2)cc1 88807 BRGWCACAEZDBBQ-NSHDSACASA-N 333.229 3.898 0 50 EHAA O=C(CSc1nc2ccccc2s1)N1CCc2ccccc21 104839 XVIYMPLXVKDCIK-UHFFFAOYSA-N 326.446 3.978 0 50 EHAA COc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 1074687 JACLPSQJTNZNKO-UHFFFAOYSA-N 336.347 3.793 0 50 EHAA COc1ccc(Cc2nnc(NC(=O)Nc3ccccc3)s2)cc1 1296852 BRYCBUSEMVLUNI-UHFFFAOYSA-N 340.408 3.782 0 50 EHAA COc1ccccc1NC(=O)[C@H](C)N1C(=O)c2cccc3cccc1c23 2870529 NPLZCTSQALJYMI-ZDUSSCGKSA-N 346.386 3.836 0 50 EHAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCCCC1 2883393 VPRGVHJNDYAEJV-UHFFFAOYSA-N 325.474 3.604 0 50 EHAA CC(=O)c1ccc2c3c(cccc13)C(=O)N(CCc1ccccc1)C2=O 4546360 IYQGUSRVQQAKLP-UHFFFAOYSA-N 343.382 3.881 0 50 EHAA c1ccc(-c2nc3ccccc3n2Cn2nnc3ccccc32)cc1 5286451 QTYMBUWFPZZOGW-UHFFFAOYSA-N 325.375 3.954 0 50 EHAA COc1ccc(NC(=O)c2ccc(SC)cc2OC)cc1OC 5680291 ZXIKYWXGGIWAGH-UHFFFAOYSA-N 333.409 3.687 0 50 EHAA Cc1nnc(SCCC(=O)Nc2ccccc2)n1-c1ccccc1 6701564 JORAKPGPCGCUAV-UHFFFAOYSA-N 338.436 3.697 0 50 EHAA C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 10469418 ODOXWWXSMZADCM-DNVCBOLYSA-N 341.407 3.650 0 50 EHAA Cc1cccc(CN2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)n1 11665027 BWGCHLSUUDZKQD-CQSZACIVSA-N 330.378 3.763 0 50 EHAA CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)NC(C)C)c1 12404176 SWXQZQXRQCDPJO-SFHVURJKSA-N 340.423 3.621 0 50 EHAA Fc1cccc([C@@]2(CNc3ccc(-n4ccnc4)cc3)CCOC2)c1 20877859 ILKGMVXGZUMMOQ-HXUWFJFHSA-N 337.398 3.782 0 50 EHAA COc1cc(CN2CC=C(c3ccc(F)cc3)CC2)cc(OC)c1O 23280160 UZBXKIGEUWXTJL-UHFFFAOYSA-N 343.398 3.838 0 50 EHAA Cc1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc1C 23373450 RQPNTAAAEBXMNY-NRFANRHFSA-N 330.516 3.505 0 50 EHAA CCc1cc2c(NCCC(=O)O)nc(-c3ccccc3)nc2s1 41090417 DITNEEPZCVEFCU-UHFFFAOYSA-N 327.409 3.807 0 50 EHAA COCCN(Cc1ccc(C)cc1)Cc1cccn1-c1ccccn1 55359534 HINIQYWLNDTKHE-UHFFFAOYSA-N 335.451 3.829 0 50 EHAA CCNC(=O)c1ccc(NC(=O)Cc2ccccc2Cl)c(C)c1 55757213 WIIRKPQSTMMFBQ-UHFFFAOYSA-N 330.815 3.579 0 50 EHAA COc1cc(C)c(-c2nc(Cn3cnc(C4CC4)n3)c(C)o2)cc1C 67433727 BYCZFKUYIJYFFR-UHFFFAOYSA-N 338.411 3.793 0 50 EHAA Cc1nc([C@@H](C)Nc2nc(C(C)(C)C)nc3c2cnn3C)cs1 72125333 IJVDPVJLGMLVJL-SECBINFHSA-N 330.461 3.599 0 50 EHAA CNC(=O)c1ccc(CN2CCC[C@@H](CCc3ccccc3F)C2)o1 72139131 HVROTXWODHMZRS-HNNXBMFYSA-N 344.430 3.623 0 50 EHAA CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)no1 77406072 HTGJBISCQSOLIN-CYBMUJFWSA-N 339.395 3.959 0 50 EHAA Cc1cc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c2ccc(C)c(C)c2n1 77521123 VMAXVFTUNWPBAS-TZIWHRDSSA-N 346.430 3.548 0 50 EHAA O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(-c2ccc[nH]2)n[nH]1 169773395 WFANWQGZTMHUAD-UHFFFAOYSA-N 336.273 3.556 0 50 EHAA CCOC(=O)[C@H](C)[C@H](C)NC(=O)Nc1ncc(-c2ccccc2)s1 170595833 PQKILNDSSCIVHA-NEPJUHHUSA-N 347.440 3.519 0 50 EHAA Cn1cc(CN[C@H]2CCOc3ccc(F)cc32)c(-c2cccs2)n1 189583924 PJHAPCGNDKAGJB-HNNXBMFYSA-N 343.427 3.901 0 50 EHAA CC(C)c1ncc(Cl)c(C(=O)N[C@@H]2CCc3cc(F)ccc32)n1 194702165 OBCLAQMJKXIAAI-CQSZACIVSA-N 333.794 3.810 0 50 EHAA C[C@@H](COc1ccc(Br)cc1)NC(=O)OC(C)(C)C 214651868 WIHQWGAILKFWDB-JTQLQIEISA-N 330.222 3.741 0 50 EHAA CCN(C)C1(CNC(=O)c2cc3ccc(Cl)cc3n2C)CCCC1 215171492 HWPNFPXDTUCFTE-UHFFFAOYSA-N 347.890 3.826 0 50 EHAA Cc1nnsc1CN(C)Cc1ccc(CN2CCCCC2)s1 222387813 XTIZCQAPMKCGEC-UHFFFAOYSA-N 336.530 3.526 0 50 EHAA C[C@H](N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)N(C)Cc1cccc(F)c1 248110062 JYMASZPBWQIMJG-OKVDMCGNSA-N 332.463 3.587 0 50 EHAA CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)cc1F 262445995 UDVQNXSREFITRX-CQSZACIVSA-N 333.384 3.735 0 50 EHAA CCc1nn2c(c1C(=O)NCc1ccccc1)N[C@@H](c1ccccc1)C2 263619068 WSXQYFLFMXWHHZ-GOSISDBHSA-N 346.434 3.542 0 50 EHAA O=C1CCN1c1cccc(NC(=O)N2CCC[C@@H]2Cc2ccccc2)c1 280323236 YQBNTOWYNPDDDV-GOSISDBHSA-N 349.434 3.662 0 50 EHAA CC(C)(C)n1ncnc1CNC(=O)Nc1ccc2c3c(cccc13)CC2 282473364 LUZLSRJQLMYFAM-UHFFFAOYSA-N 349.438 3.607 0 50 EHAA Cc1ccc(-n2cc(C(=O)N(C)c3ncccn3)c(C(C)(C)C)n2)cc1 289136282 YDGAIBMUFYTWGM-UHFFFAOYSA-N 349.438 3.545 0 50 EHAA Cc1cccc(C)c1OCc1nc(-c2cn(C)nc2C(C)C)no1 293111320 UNAHROJBPVCMJR-UHFFFAOYSA-N 326.400 3.789 0 50 EHAA C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)C[C@H]1CCCC1(F)F 296096891 WXGBQQOAHDSVHR-WCQYABFASA-N 335.391 3.584 0 50 EHAA O=C(CCC(F)(F)F)OCc1cc(Br)cnc1Cl 297865160 SWYVKAPRPCSLAU-UHFFFAOYSA-N 346.530 3.883 0 50 EHAA COc1cccc(Cl)c1CN[C@H](C[S@@](C)=O)c1ccccc1 328589574 VIPZARYZERNSLO-OPAMFIHVSA-N 337.872 3.558 0 50 EHAA CN(Cc1csc(C2CC2)n1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328656194 ZCJUNVFUZAFUQG-WMZOPIPTSA-N 342.512 3.540 0 50 EHAA COc1cccc([C@H]2C[C@@H](C)CN2c2ncnc3c2ncn3C2CC2)c1 330307705 SIWRQFVWEILTKV-CXAGYDPISA-N 349.438 3.757 0 50 EHAA Cc1nn(CC(=O)Nc2ccnn2[C@@H](C)CC(C)C)c(C)c1Cl 341031733 QNUXQKCRAHARDI-NSHDSACASA-N 337.855 3.596 0 50 EHAA O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(C(=O)C=C2CCC2)CC1 370337420 LYUNWDAYPLYJOC-GOSISDBHSA-N 344.842 3.725 0 50 EHAA Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1C 375251069 QPUWVYYNAYKXRN-OAHLLOKOSA-N 335.407 3.574 0 50 EHAA O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccc(F)c1F 377519653 ONOBZIBPRVZFFF-UHFFFAOYSA-N 346.308 3.731 0 50 EHAA Cc1cccc2nc(N3CCN([C@H](C)c4nccs4)CC3)sc12 480111901 PZYBKAAFWQDUPV-CYBMUJFWSA-N 344.509 3.944 0 50 EHAA O[C@@H]1CCOc2c(NCc3cccc(OC4CC4)c3F)cccc21 850248264 LEFWQZPPGKUZJO-MRXNPFEDSA-N 329.371 3.795 0 50 EHAA O=C(c1ncoc1C1CC1)N1CCC[C@@]2(C=Cc3ccccc3O2)C1 887789938 CEXDOLLOOLMTLJ-HXUWFJFHSA-N 336.391 3.633 0 50 EHAA CCc1c[nH]c2ncnc(N3CCC[C@@H](c4nc(C)cs4)C3)c12 892185364 KUXWQZWTVFBHEU-CYBMUJFWSA-N 327.457 3.669 0 50 EHAA COc1ccc(Cc2nc(-c3coc(C4CCC4)n3)no2)c(C)c1 904136621 OFGJDQIFVUNZGA-UHFFFAOYSA-N 325.368 3.900 0 50 EHAA COCCc1nc(CN2c3ccccc3CC[C@H]2c2ccccc2)no1 934293835 HGKNVNNVBGNNEE-IBGZPJMESA-N 349.434 3.953 0 50 EHAA Cc1nn(C)c(C)c1CN(Cc1ccc(-c2cc[nH]n2)s1)C1CC1 952964742 DJLBRGPZVSIHCB-UHFFFAOYSA-N 341.484 3.653 0 50 EHAA Cc1ncc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)c(Cl)c2)cn1 952972951 WTFVHKDEGZCNOB-UHFFFAOYSA-N 346.818 3.675 0 50 EHAA Cc1cc(C)nc(CN(C)C(=O)[C@H](C)Nc2c(C)cccc2C)c1 1506413639 JMTLQMLHTAUSNI-KRWDZBQOSA-N 325.456 3.774 0 50 EHAA CO[C@@H]1CCC[C@@]12CCCN(Cc1ccnn1-c1ccccc1)C2 1704297003 BZFASVZYFQZOPB-UXHICEINSA-N 325.456 3.653 0 50 EHAA CN(C)c1nccnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 1704326290 TVHWQUBCHAIHMW-CYBMUJFWSA-N 339.468 3.536 0 50 EHAA O=c1c(-c2nc3ccccc3s2)c2[nH]c(O)cn2c2ccccc12 1776007953 OWBGGMCGZDHOPE-UHFFFAOYSA-N 333.372 3.763 0 50 EHAA c1cnc2cc(-c3nccn3[C@@H]3CCOC4(CCOCC4)C3)ccc2c1 1857694947 MINXXRPQVOLRFM-GOSISDBHSA-N 349.434 3.999 0 50 EHAA Cc1nnsc1[C@@H](C)NCc1cc(Cl)c2c(c1)OCCCO2 1875272612 SVPLJBXQIAQDCX-SECBINFHSA-N 339.848 3.512 0 50 EHAA Cc1cccc2c1N(C(=O)c1ccc(Nc3ncccn3)cc1)CC2 1875301377 HKGDRCBQUAEILC-UHFFFAOYSA-N 330.391 3.732 0 50 EHAA Cc1cccc([C@H](CN)C(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c1 1875316824 IBSWHVBIIXKJON-DSKINZAPSA-N 336.479 3.750 0 50 EHAA O=S(=O)(c1ccco1)N1CCCC[C@@H]1Cc1ccccc1Cl 1875342769 GKDSSBZLYWUZMY-CQSZACIVSA-N 339.844 3.719 0 50 EHAA FC12C[C@H]3C[C@@H](C1)CC(NC[C@@]1(c4ccccc4)CCOC1)(C3)C2 1875392140 JFJBVIACKMIABQ-CLCXNKSOSA-N 329.459 3.995 0 50 EHAA CC[C@@H](C)N(CC(=O)O)Cc1[nH]c2ccccc2c1Br 2325787508 DRCQYOCVFMDOJS-SNVBAGLBSA-N 339.233 3.616 0 50 EHAA Cc1cc(OCC(=O)N(C)Cc2ccccc2)ccc1Br 117384 RDPPTEVNUAEGLQ-UHFFFAOYSA-N 348.240 3.795 0 50 EHAA CCN(CC)CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C 522397 GHPIIYLSOXBGLF-UHFFFAOYSA-N 328.456 3.873 0 50 EHAA Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)cc1 534188 CBFAKVBYSPKEBR-CQSZACIVSA-N 347.374 3.543 0 50 EHAA COc1ccc2c(Cl)c(C(=O)N3C[C@@H](C)O[C@H](C)C3)sc2c1 1056071 GUYBGBUMUKHPFA-NXEZZACHSA-N 339.844 3.813 0 50 EHAA O=C(O)c1ccc(CSc2nnc(COc3ccccc3)o2)cc1 1059212 ARDMORFJUCWPAL-UHFFFAOYSA-N 342.376 3.639 0 50 EHAA C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](C)c1ccncc1 6699822 GVIPDMMWUDCGLF-RYUDHWBXSA-N 338.329 3.745 0 50 EHAA Cc1ccc(C)c(NC(=O)c2ccc(-n3cnnc3)cc2Cl)c1 6703141 XRDUCTYESIKTKJ-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA O[C@H](C[C@@H]1CCCCCN1c1ccc2nccnc2n1)c1ccccc1 133030389 CTWFIECHZLHLNR-PKOBYXMFSA-N 348.450 3.898 0 50 EHAA CN(C)CCNCCCOc1ccc(C(C)(C)c2ccccc2)cc1 20418788 NSFMTXXIWNCKBD-UHFFFAOYSA-N 340.511 3.933 0 50 EHAA COc1ccccc1-n1nc(CC(C)C)nc1-c1c(O)cccc1O 65373532 SHJJNBCGKZOZCE-UHFFFAOYSA-N 339.395 3.553 0 50 EHAA O=C(CS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 1396961 LZBIUNZNOUZDPA-UHFFFAOYSA-N 329.204 3.650 0 50 EHAA in-vivo Cn1cc(SCC(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)c2ccccc21 77459388 OWAMAHGVJHOUTH-DZKIICNBSA-N 328.481 3.965 0 50 EHAA COc1ccc(CCC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 4745015 WIWZIKSKUWTSIV-UHFFFAOYSA-N 349.434 3.820 0 50 EHAA Cc1ncc(C(=O)N2CCC[C@@H](COc3ccccc3C)C2)s1 77524810 DKIDKAVFOQIEQU-OAHLLOKOSA-N 330.453 3.691 0 50 EHAA CCn1nc(C)cc1C(=O)N1CCC(Sc2ccccc2C)CC1 77358339 KFQFNEIUHCMTPU-UHFFFAOYSA-N 343.496 3.917 0 50 EHAA C[C@H](O)c1ncc(C(=O)Nc2ccc(Nc3ccccc3)nc2)s1 253405379 LGEBNRDFRBNHFS-NSHDSACASA-N 340.408 3.587 0 50 EHAA COc1ccc(C)c2c1N(C(=O)CO[C@@H]1CCCC[C@H]1C)CCC2 170626337 CNCPSMJCAXJCMF-NVXWUHKLSA-N 331.456 3.878 0 50 EHAA Cn1ncc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1C1CC1 72463286 BHQUIKCYPGVQFF-OAHLLOKOSA-N 335.455 3.553 0 50 EHAA COc1ccccc1CC1CCN(Cc2noc(C(C)(C)C)n2)CC1 330440470 OOILDQXZFPJGKR-UHFFFAOYSA-N 343.471 3.830 0 50 EHAA Cc1ccccc1OC1CCN(C(=O)c2ccccc2N(C)C)CC1 77504051 NEULHQFVZYSWMA-UHFFFAOYSA-N 338.451 3.745 0 50 EHAA COCCN(Cc1ccccc1F)C(=O)c1ccc2nc(C)oc2c1 216390755 JWFJVGDEOVOVHW-UHFFFAOYSA-N 342.370 3.564 0 50 EHAA Fc1ccc(-c2ccc(CNCc3cnc4n3CCCC4)o2)cc1 370263597 ZECZYZJTEJUVRJ-UHFFFAOYSA-N 325.387 3.908 0 50 EHAA CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC[C@]2(CCCOC2)C1 375317747 HBSFHHASQYBEGH-LJQANCHMSA-N 335.875 3.938 0 50 EHAA Cc1cc(CN2CCC[C@@H](c3nc[nH]n3)C2)ccc1Oc1cccnc1 377245132 NEPSTQKVYXPCCY-QGZVFWFLSA-N 349.438 3.680 0 50 EHAA O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H]2OCCC[C@@H]2C1 130355445 OOLSGSPJJRFWDG-BXUZGUMPSA-N 328.334 3.738 0 50 EHAA O=C(NCc1ccoc1)[C@H]1C[C@]12CCc1cc(Br)ccc12 336881763 BGJSCJYWWZVZOO-WBVHZDCISA-N 346.224 3.562 0 50 EHAA O=C(c1ccn(C(F)F)n1)N1CCC[C@@H](c2ccc(Cl)cc2)C1 223264739 ACPRJDZINVFZMO-GFCCVEGCSA-N 339.773 3.951 0 50 EHAA CN(C)CCCOc1cccc2c1SCc1ccccc1C2=O 43191116 IVTSJZTVTPIBBP-UHFFFAOYSA-N 327.449 3.854 0 50 EHAA C[S@@](=O)c1ccc(NC(=O)CCCc2cccs2)cc1F 173203614 YJLOGMGILYZCAE-OAQYLSRUSA-N 325.430 3.586 0 50 EHAA Cc1cccnc1[C@H](NC(=O)c1ccc(-c2nccn2C)cc1)C1CC1 426510547 ALUFQKUTRYKPMU-LJQANCHMSA-N 346.434 3.672 0 50 EHAA O=C(Nc1ccc(-c2cn[nH]c2)cc1)N[C@@H]1COC2(CCCCC2)C1 96136515 GIUYPUUBBSBFGJ-KRWDZBQOSA-N 340.427 3.690 0 50 EHAA CSc1ccc(CNC(=O)[C@H](c2ccccc2C)N(C)C)cc1 95360049 KYPQGKXAPJJXMO-SFHVURJKSA-N 328.481 3.636 0 50 EHAA Cc1cc(C)c(CN2CCC[C@H](c3ccncn3)C2)c(-n2cccn2)c1 97743552 PIDGIBIVRQLCNX-SFHVURJKSA-N 347.466 3.659 0 50 EHAA CCCSc1ccccc1NC(=O)N[C@H](C)c1nnc(N)s1 299802762 PCYLSFWWIJZOSW-SECBINFHSA-N 337.474 3.505 0 50 EHAA Cc1cnc(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cn1 957032181 JOSFKRQTXYIONH-INIZCTEOSA-N 327.819 3.652 0 50 EHAA Cc1cnn([C@H]2CCCN(c3cc(Nc4ccccc4)ncn3)C2)c1 663566428 JGSCPDAFVAPZCS-KRWDZBQOSA-N 334.427 3.567 0 50 EHAA Cc1ncncc1C(=O)Nc1cc(Cl)ccc1N1CCC[C@H](C)C1 1506427401 JCNJGLOHIHJAFW-LBPRGKRZSA-N 344.846 3.927 0 50 EHAA CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O 145969085 FWCVZAQENIZVMY-UHFFFAOYSA-N 337.379 3.623 0 50 EHAA in-vitro CCOC(=O)c1c(Br)cc(F)cc1Br 263624042 MXVOLCHZQJUPLV-UHFFFAOYSA-N 325.959 3.527 0 50 EHAA in-vitro COc1ccc(CN[C@@H]2CCCc3ccccc32)c(OC)c1OC 5720366 UQWIKDMJBQJPQA-QGZVFWFLSA-N 327.424 3.880 0 50 EHAA COCc1ccc(CNCc2cccnc2N2CCCCCCC2)o1 11814410 NXFXBCKMZOQLPK-UHFFFAOYSA-N 343.471 3.881 0 50 EHAA CCCN(Cc1nc(Cc2ccccc2Cl)no1)C[C@H]1CCCO1 12051686 JFAYPLNKUJJVNL-OAHLLOKOSA-N 349.862 3.705 0 50 EHAA COc1ccc([C@H](CC(=O)NCc2ccccn2)c2ccccc2)cc1 15072974 KLYLSYRGLPTLCA-OAQYLSRUSA-N 346.430 3.929 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)Nc1cc(C)ccc1O 17070736 DVGRYPCVDSWKAL-UHFFFAOYSA-N 336.438 3.666 0 50 EHAA Brc1ccc2c(c1)CCN2C1CCN(C2CCC2)CC1 169620351 UWSSDMRZNHDSQB-UHFFFAOYSA-N 335.289 3.829 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C 5228719 PCTFUNUQNHEEEB-YXRVPCGKSA-N 330.468 3.982 0 50 EHAA CC1(C)CC(=O)c2cn3nc(SCc4ccccc4)nc3nc2C1 2442063 HCOINLCVLOAYBV-UHFFFAOYSA-N 338.436 3.572 0 50 EHAA Cc1cc(C)n([C@@H](C)C(=O)Nc2ccn(-c3ccccc3Cl)n2)n1 123910775 LTYXQOFPMTUFQX-ZDUSSCGKSA-N 343.818 3.539 0 50 EHAA Cc1nc(-c2ccc(CN(C)Cc3ccsc3)cc2)nc(O)c1F 20363812 SYKRJRBQNOKWEH-UHFFFAOYSA-N 343.427 3.990 0 50 EHAA CC1(CNC(=O)N2CCC[C@@H]2C[C@@H]2CCCc3ccccc32)COC1 372783591 NLYHPPCWYVDCRN-ZWKOTPCHSA-N 342.483 3.707 0 50 EHAA COc1cc(O)ncc1C(=O)N1CCCCC[C@H]1c1cccc(C)c1 933111012 FYLVDZRFSSUTLF-KRWDZBQOSA-N 340.423 3.862 0 50 EHAA Cc1nn(C)c(Cl)c1CN(C)C(=O)CCc1cccc(Cl)c1 846029470 RDCWUZYEFWRWIE-UHFFFAOYSA-N 340.254 3.627 0 50 EHAA COc1cccc([C@H](CF)NC(=O)c2ccc3ncsc3c2)c1 1875325074 QFXHYFANNAHLOI-HNNXBMFYSA-N 330.384 3.746 0 50 EHAA CC[C@H](NC(=O)c1nnc2c(F)cccc2c1O)c1ccc(C)cc1 2325842726 GVEJKBHGWHJILO-HNNXBMFYSA-N 339.370 3.664 0 50 EHAA COc1cc(-c2cn(C)c3ccc(F)cc23)c(OC)cc1C(=O)O 2325874634 VEXZAGQPPLMIHM-UHFFFAOYSA-N 329.327 3.700 0 50 EHAA O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1 304489 VYPFDYRUTSDYJG-UHFFFAOYSA-N 328.843 3.734 0 50 EHAA Cc1ccc(N2C[C@@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 323378 PVSKVBPBSVOWPC-KRWDZBQOSA-N 336.435 3.912 0 50 EHAA Nc1ccc2nc(SCC(=O)OCc3ccccc3)sc2c1 405821 KDTPFGIZOCWISJ-UHFFFAOYSA-N 330.434 3.714 0 50 EHAA C[C@H](Oc1ccccc1)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 10469415 ODOXWWXSMZADCM-KXBFYZLASA-N 341.407 3.650 0 50 EHAA CC(=O)Nc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)cc1 55292009 CLHQBILZGJYOAD-UHFFFAOYSA-N 337.467 3.584 0 50 EHAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2CC(c3ccc(F)cc3)=NO2)C1 102022563 IRSWCABGMPPQKK-XAUMDUMWSA-N 344.430 3.746 0 50 EHAA COc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1OC 226887656 RNVCENSVDDDZDU-JOTOCRJQSA-N 347.455 3.657 0 50 EHAA CCc1cc(NC(=O)c2cccc(OCc3cccs3)c2)n(C)n1 116078057 ZJQNSZAFPPIUDS-UHFFFAOYSA-N 341.436 3.875 0 50 EHAA CC(C)[C@H]1CC[C@H](C(=O)NCCc2nc3cc(F)ccc3[nH]2)CC1 245520345 BSAJFBTXHFABRL-HDJSIYSDSA-N 331.435 3.823 0 50 EHAA CCC[C@@H](C)N(CC)Cc1ccccc1-c1nc(C)c(F)c(=O)[nH]1 63857298 RDWYKWYTPXZXLI-CYBMUJFWSA-N 331.435 3.895 0 50 EHAA Cc1cc(C)c2nc(-c3cnn(C)c3)cc(C(=O)N3CCC[C@@H]3C)c2c1 63834477 BCYGQTFRLNQZKW-HNNXBMFYSA-N 348.450 3.877 0 50 EHAA CC(C)n1ccnc1CN1CCc2onc(-c3cccc(F)c3)c2C1 67458708 HMXYQEATBKIXJE-UHFFFAOYSA-N 340.402 3.816 0 50 EHAA CCOc1ccc([C@H]2[C@@H](C(=O)O)CCC(=O)N2C2CCCCC2)cc1 1394556 IGAXLNWFPCVKLI-HKUYNNGSSA-N 345.439 3.782 0 50 EHAA CSc1ccc(N(C)C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 352929832 ICYSUOUSOVAHMO-HNNXBMFYSA-N 344.411 3.636 0 50 EHAA COc1ccccc1C1=NO[C@H](C(=O)Nc2ccccc2SC)C1 6738294 XZVIFCYQWBTCJZ-INIZCTEOSA-N 342.420 3.549 0 50 EHAA COC(C)(C)CCC[C@@H](C)CCNCCCCCN1CCOCC1 32513711 MOYVRQRQBIRQGU-LJQANCHMSA-N 342.568 3.700 0 50 EHAA C[C@H]1CCOCCN1C(=O)Nc1cccc(Cl)c1Br 253431387 RLNMJQZCRBXDBC-VIFPVBQESA-N 347.640 3.745 0 50 EHAA CCc1ncc(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)s1 328626778 MCJSUOUYCWKTCU-LLVKDONJSA-N 335.498 3.663 0 50 EHAA Fc1cccc(CN2CCN(Cc3cccc4cnccc34)CC2)c1 72153663 LIFALFBSROLGKG-UHFFFAOYSA-N 335.426 3.692 0 50 EHAA CO[C@H](C)c1nsc(N2CCC[C@H]2CC(=O)c2ccc(F)cc2)n1 253398609 XSZQJEPBJMKLCC-RISCZKNCSA-N 349.431 3.626 0 50 EHAA CC(C)(C)c1cnc(CN[C@@H]2CCO[C@]3(CCSC3)C2)s1 253429630 UHFWLFGXIAUDFG-MLGOLLRUSA-N 326.531 3.585 0 50 EHAA CCO[C@@H]1C[C@@H](N(C)C(=O)[C@]2(C)CC2(Cl)Cl)C12CCCC2 170636809 CZYCHFMYFVPXGD-BZPMIXESSA-N 334.287 3.767 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1 155026441 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0 50 EHAA O=C(c1ccc(-c2ccc3c(c2)OCO3)cc1)N1CCC(F)(F)CC1 426563545 VQJLQLXIZNPUPD-UHFFFAOYSA-N 345.345 3.954 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)NCCc1ccccc1Cl 426471085 ZVVRURSUQHXBRP-ZDUSSCGKSA-N 334.851 3.625 0 50 EHAA CCn1nc(C2CCOCC2)nc1CCc1nc2ccccc2s1 96152853 MBCQSOJOJRQOHG-UHFFFAOYSA-N 342.468 3.587 0 50 EHAA CCCn1ccc2cc(NC(=O)Cc3ccc4c(c3)NC(=O)C4)ccc21 182513207 CKXWYEXQCJQQPA-UHFFFAOYSA-N 347.418 3.727 0 50 EHAA Cc1c(COc2ccccc2)cccc1NC(=O)[C@H]1C[C@@H](C(=O)O)C1 1347548027 NBNJWQQQEGPMHK-IYBDPMFKSA-N 339.391 3.623 0 50 EHAA Cc1cccc(CN(Cc2ccco2)C(=O)[C@@H]2CCc3[nH]ncc3C2)c1 270155719 SGYBIUUYQGXUEQ-QGZVFWFLSA-N 349.434 3.645 0 50 EHAA COc1ccc2c(c1NC(=O)CCc1nc3c(C)cccc3[nH]1)CCC2 190814934 YQOOVQOUSCOZCG-UHFFFAOYSA-N 349.434 3.940 0 50 EHAA Cc1c(C(=O)N2CCc3c(F)cc(F)cc32)oc2c1C(=O)CCC2 192615405 DBPWOTOYTWCJHZ-UHFFFAOYSA-N 331.318 3.588 0 50 EHAA Cc1ncc(CN[C@H]2CCCC[C@]23CCN(C(=O)OC(C)(C)C)C3)o1 1775991881 NRZCKZCCPRHXAJ-QFBILLFUSA-N 349.475 3.642 0 50 EHAA Cc1cccc(OCCCN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)c1C 1775978257 PSTHVOURHYKSSM-IBGZPJMESA-N 346.515 3.651 0 50 EHAA O=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccco2)CC1 16602639 AKAVIHSUSHHJSV-UHFFFAOYSA-N 339.222 3.544 0 50 EHAA O=C(/C=C/c1ccccc1)Nc1cccc(-c2nnc3n2CCCC3)c1 169755596 AKZSDZONHNIVIK-OUKQBFOZSA-N 344.418 3.933 0 50 EHAA COc1cccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c1OC 445836 UTJYCYRMAODAAY-UVTDQMKNSA-N 343.766 3.702 0 50 EHAA COC(=O)c1ccc(COC(=O)c2ccc(Br)cc2)cc1 471951 CFVJQGLKEZQFOL-UHFFFAOYSA-N 349.180 3.593 0 50 EHAA CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1Cl 4011387 BECJYDHFTWZCLL-ZDUSSCGKSA-N 343.210 3.575 0 50 EHAA Cc1cccc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)c1C 6715742 GIADCAZPDXDNQJ-UHFFFAOYSA-N 327.403 3.797 0 50 EHAA COc1ccccc1-c1noc(CCCC(=O)NC2CCCCC2)n1 4434044 BBZAKPVYCGXMMF-UHFFFAOYSA-N 343.427 3.517 0 50 EHAA Cn1ccnc1[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)C1 333370660 WDEIIFODHTVZPB-ZACQAIPSSA-N 346.519 3.914 0 50 EHAA Cc1cscc1NS(=O)(=O)c1cc(F)ccc1OC(C)C 901906232 KQTLEXLXKIEOFM-UHFFFAOYSA-N 329.418 3.784 0 50 EHAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC34CCC(C)(C)CC4)n[nH]c21 1875299685 RXPWNVLBMFQELT-OLZOCXBDSA-N 331.460 3.617 0 50 EHAA O=C(OCc1c(F)cccc1Cl)c1csc2ncnc(O)c12 1875356225 LAZVWTKYNLKFOM-UHFFFAOYSA-N 338.747 3.546 0 50 EHAA Cc1csc(-c2cccc(C(=O)NCC[C@@H]3CCCC[C@@H]3O)c2)n1 887548146 LCEMGZDJFVJWJV-YOEHRIQHSA-N 344.480 3.790 0 50 EHAA COc1ccc(CNc2ccc(-c3ncc4n3CCCC4)cc2)nc1 892339985 NQGLKCLLDIWJRW-UHFFFAOYSA-N 334.423 3.902 0 50 EHAA CN1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 19774635 LKEMJHAHYXGXNL-UHFFFAOYSA-N 329.252 3.596 0 50 EHAA Cc1ccc2nc3c(c(C(=O)OCCCn4ccnc4)c2c1)CCCC3 2325736689 DWVZFIPPSREDGK-UHFFFAOYSA-N 349.434 3.866 0 50 EHAA O=c1cc(Sc2ncc(C3CCOCC3)[nH]2)c2ccccc2o1 2325784321 TVBGIFBPMPKOEV-UHFFFAOYSA-N 328.393 3.561 0 50 EHAA CC(C)c1ccccc1N1CCN(c2cc(C(F)F)ncn2)CC1 2325806023 MRRQMAKLQCUWMQ-UHFFFAOYSA-N 332.398 3.864 0 50 EHAA Cc1ccc2nc(NC(=S)NC(=O)c3cccs3)sc2c1 174149 NZHMXRNRVISYPP-UHFFFAOYSA-N 333.463 3.793 0 50 EHAA COc1cc(C)c(CN2CCN(c3ccccc3F)CC2)cc1C 241277 WMHRNVDPSNRMFQ-UHFFFAOYSA-N 328.431 3.773 0 50 EHAA CCc1ccc(N2C[C@@H](C(=O)Nc3cc(C)ccc3F)CC2=O)cc1 303004 VPZOWXAVONAUAC-HNNXBMFYSA-N 340.398 3.688 0 50 EHAA CCOc1ccc(Cc2n[nH]c(=S)n2-c2ccc(OC)cc2)cc1 392158 ZBKPJDOBNPSLIR-UHFFFAOYSA-N 341.436 3.928 0 50 EHAA CN(C)C(=O)Oc1ccccc1-c1ccccc1OC(=S)N(C)C 400156 HEXKCVOIPIMFCS-UHFFFAOYSA-N 344.436 3.639 0 50 EHAA O=C(Nc1ccc(Br)cc1F)C(Cl)(Cl)Cl 450815 ZZORKVPOZQEPER-UHFFFAOYSA-N 335.387 3.897 0 50 EHAA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccncc1 1056305 MQTLAONQDFBDEX-UHFFFAOYSA-N 338.388 3.849 0 50 EHAA O=C(CSc1nc(-c2ccccc2)cs1)NCc1ccco1 1075630 VEGHCJCATXMVKW-UHFFFAOYSA-N 330.434 3.812 0 50 EHAA CCCOC(=O)[C@H](CC)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 1778855 YKMMVIPACPJYJM-INIZCTEOSA-N 344.407 3.701 0 50 EHAA Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 2726373 LRPRYLRVUBVYOR-UHFFFAOYSA-N 334.375 3.770 0 50 EHAA COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1ccccc1 2733898 OVVDVBRKIHYONQ-UHFFFAOYSA-N 333.347 3.776 0 50 EHAA C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2)o1 2830016 JAUGIFPWBMBJBW-GXTWGEPZSA-N 331.441 3.524 0 50 EHAA CC(C)c1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2 4803090 UUXLNMPIQSKTTB-UHFFFAOYSA-N 327.380 3.599 0 50 EHAA COC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1 4894633 VFNTYKQQYGCEHQ-JXAWBTAJSA-N 337.419 3.928 0 50 EHAA CCCOc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 4910109 JSSULCITGWCUEO-AWEZNQCLSA-N 325.364 3.678 0 50 EHAA Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)/C=C/C(C)C)C2 12039731 YVEKUAUWTHCVKH-IWAYRVGRSA-N 336.435 3.689 0 50 EHAA CCNCC[C@@H]1CCC(=O)N1CC(c1ccccc1)c1ccccc1 12204572 NANYIQYZERWMSK-FQEVSTJZSA-N 336.479 3.809 0 50 EHAA OC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 15065188 CXHUYXOFHYSHJL-QGZVFWFLSA-N 347.462 3.948 0 50 EHAA Cc1ccc(-c2c(C(=O)NC3CCN(C)CC3)csc2C)cc1 16602822 HRBWENLENMBYIZ-UHFFFAOYSA-N 328.481 3.856 0 50 EHAA CCc1ccc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 19841809 XIGYMVNPANIKIR-UHFFFAOYSA-N 342.870 3.860 0 50 EHAA Cc1ccc(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)c(C)c1 20357028 CNCDWCMAOWRMAJ-UHFFFAOYSA-N 341.430 3.792 0 50 EHAA O=C(NCc1ccccc1)c1cccnc1NCCc1ccccc1 20407024 CZMDMKNWCOHVEL-UHFFFAOYSA-N 331.419 3.666 0 50 EHAA COCc1ccc(CN(C)[C@H]2CCCN(CCc3ccccc3)C2)o1 20600191 HLMNIXTUQMRMBO-IBGZPJMESA-N 342.483 3.565 0 50 EHAA C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(F)cc4F)cn1c23 33089089 DGDSXIVSPFJYBQ-JTQLQIEISA-N 340.329 3.649 0 50 EHAA Cc1cccc(Cl)c1NC(=O)[C@H](C)n1ncc2ccccc2c1=O 65364267 CMYSNKSRGZJVTI-LBPRGKRZSA-N 341.798 3.558 0 50 EHAA COc1cccc(CN2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)c1F 67459195 YQSUGAPSGQZTDZ-GHTZIAJQSA-N 343.442 3.650 0 50 EHAA CCOc1cc(-c2nccn2[C@H]2CCNC2)cc(Cl)c1OCC 72453452 WRMMWJAKNIUXOW-ZDUSSCGKSA-N 335.835 3.535 0 50 EHAA CC(=O)NCC[C@H]1CCCCN1Cc1ccc(-c2ccccc2F)o1 77423770 MOULZAQAXCPWQB-MRXNPFEDSA-N 344.430 3.966 0 50 EHAA Cn1nc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)c2c1CCCC2 82096947 PXVDWXJHTPDBJS-QGZVFWFLSA-N 341.430 3.805 0 50 EHAA CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2cnn3cccnc23)C1 92003585 PSJAEJUXKBCHJS-LJQANCHMSA-N 326.444 3.604 0 50 EHAA O=C(c1ncc(F)cc1F)N1CCCC[C@H]1CCc1ccc(O)cc1 92078958 HYHNWJVMMIMRMN-HNNXBMFYSA-N 346.377 3.693 0 50 EHAA COCCN(Cc1nccs1)C(=O)Nc1ccccc1C(C)C 96137958 XSWJLULTPRHTQA-UHFFFAOYSA-N 333.457 3.947 0 50 EHAA O=C(Nc1ccc(-n2cncn2)c(Cl)c1)N1CCCCCCC1 96165487 KTRWYRXWJFVTLR-UHFFFAOYSA-N 333.823 3.719 0 50 EHAA CC[C@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1ccc(F)cc1 97213153 RJEILIBNCMNCME-KRWDZBQOSA-N 336.370 3.559 0 50 EHAA CC(C)NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 100397791 XFDVWHWGUCLYJS-NSMFRCMUSA-N 334.419 3.538 0 50 EHAA COc1ccccc1N1CCN(CC2=CC[C@H]3C[C@H]2C3(C)C)CC1 100415387 RDQSMIBCYAVSPB-ZWKOTPCHSA-N 326.484 3.810 0 50 EHAA Cc1ccc(C(C)C)cc1OCC(=O)N1CCCC[C@H]1c1cn[nH]c1 113890116 DNXWUXMEAXPGCF-SFHVURJKSA-N 341.455 3.974 0 50 EHAA CC(C)NC(=O)c1ccc(NC(=O)C2(c3ccccc3F)CC2)cc1 119066727 ZMXFSVCASJHTPO-UHFFFAOYSA-N 340.398 3.634 0 50 EHAA O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(O)c(Cl)c1 143557778 QIRXZCKVNGEQES-QAPCUYQASA-N 345.826 3.943 0 50 EHAA Cc1ccc2c(c1)C(=O)N(C)[C@H](c1csc(-c3ccccn3)n1)N2 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HCYSJWMPHXCQLA-UHFFFAOYSA-N 345.487 3.814 0 50 EHAA CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC1CCC(C(=O)O)CC1 263439172 VQWRJEPDWOLAFN-MLVVQWTHSA-N 325.836 3.649 0 50 EHAA Cn1cncc1[C@@H]1C[C@@H](NCc2csc3ccccc23)CCO1 275505239 JXVAFLRJOQPOKO-YOEHRIQHSA-N 327.453 3.645 0 50 EHAA C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)CCOCc1ccccc1 285549042 OPYLMBNIMTYDRX-ZVDOUQERSA-N 345.483 3.526 0 50 EHAA Cc1nnsc1CNC(=O)Nc1cccc(Cl)c1OC(C)C 293428728 UCTBCHOQLWVKGJ-UHFFFAOYSA-N 340.836 3.609 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cccc(-c2nccs2)c1 299777086 IMPOZZQXKODPMZ-ZDUSSCGKSA-N 340.452 3.983 0 50 EHAA Clc1ccc2[nH]c(-c3nc(-c4ccncn4)no3)cc2c1Cl 338175311 CNROADAFTQWWLW-UHFFFAOYSA-N 332.150 3.982 0 50 EHAA O=C(C1CCOCC1)N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 374943748 JYDHZICTLLWBQX-MRXNPFEDSA-N 345.336 3.529 0 50 EHAA COc1ccccc1C1CCN(C(=O)NCc2csc(C)n2)CC1 426719817 GLIZWXSFYVKLAN-UHFFFAOYSA-N 345.468 3.549 0 50 EHAA CCCn1c(C)nc2cc(NC(=O)Cc3cccc(OC)c3)ccc21 823024272 KNDSZMCYXODFJV-UHFFFAOYSA-N 337.423 3.945 0 50 EHAA CC[C@@H]1CCN(c2nc(-c3ccc4c(c3)CCC(=O)N4C)cs2)C1 823327198 YWGNIZKBCVEXKT-CYBMUJFWSA-N 341.480 3.955 0 50 EHAA Cc1sc(C(=O)O)cc1CN1CCC([C@H](O)c2ccccc2)CC1 833032982 RWDMOIXTIOEYHK-GOSISDBHSA-N 345.464 3.700 0 50 EHAA Cc1csc(C[C@H]2CCN(C(=O)c3cc4nc(C)ccc4o3)C2)n1 886232850 FJBRUPJOXPVTJW-CYBMUJFWSA-N 341.436 3.606 0 50 EHAA Cc1cc(C)c2nc(NC(=O)c3cc(C(F)F)n(C)n3)sc2c1 929484103 LXZNGHDLEIKZIZ-UHFFFAOYSA-N 336.367 3.837 0 50 EHAA CC(C)Cc1cc(C(=O)Nc2ccc(N3C(=O)CC[C@@H]3C)cc2)on1 952868771 SWRVSSLTJNMXTP-ZDUSSCGKSA-N 341.411 3.641 0 50 EHAA CC[C@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CCN1C(C)C 952970013 JEABFXUXEWSJFP-SFHVURJKSA-N 333.495 3.599 0 50 EHAA O=C(C[C@H]1CCCC1(F)F)Nc1cnc(-c2cccc(O)c2)nc1 1333766954 KFKLEUZJMVQRCD-GFCCVEGCSA-N 333.338 3.613 0 50 EHAA Fc1ccc(N2CCC(N3CCC[C@H](c4cc[nH]n4)C3)CC2)cc1F 1506416513 DXDBHVAJBVMANR-AWEZNQCLSA-N 346.425 3.536 0 50 EHAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccc2[nH]c(C)c(C)c2c1 1857713789 NWOHOCBTRXBMSR-JNAXZKDPSA-N 340.423 3.643 0 50 EHAA 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CN(Cc1cscn1)[C@H]1CCOc2ccc(Br)cc21 328588653 UGBSYIOLGRSPNK-ZDUSSCGKSA-N 339.258 3.861 0 50 EHAA CCCc1nc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cs1 328653388 WVDGXXGWNJXQSK-LPHOPBHVSA-N 344.528 3.615 0 50 EHAA Cn1c([C@H]2CCCN2Cc2nc3ccccc3o2)nc2c1CCCC2 328628412 HEZNCQRFVVGTAP-QGZVFWFLSA-N 336.439 3.777 0 50 EHAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1c[nH]c3ncccc13)[C@H]2C 329280323 DPFKUFWYNVCBLX-KGLIPLIRSA-N 349.434 3.648 0 50 EHAA O=C(c1cncc(Cl)c1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72454076 MTADNMIONUITTH-OAHLLOKOSA-N 344.777 3.728 0 50 EHAA COc1ccc(C(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)o1 219713726 JKSORMPXVRXCRM-UHFFFAOYSA-N 328.368 3.657 0 50 EHAA CN(C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C1CCC1 170643992 USPXSHVDFSLSKM-UHFFFAOYSA-N 338.333 3.907 0 50 EHAA C[C@H](NC(=O)C1(c2cccnc2)CCCC1)c1nc2ccccc2n1C 365873367 DLDMNYPPWWSILL-HNNXBMFYSA-N 348.450 3.658 0 50 EHAA CCOc1cc(Cl)c(CN(C)Cc2cnn(C)c2)cc1OCC 215525659 FPHKLLDLFHAWED-UHFFFAOYSA-N 337.851 3.503 0 50 EHAA Cc1cccnc1NC(=O)[C@H]1CCCN(Cc2cccc3[nH]ccc23)C1 367221362 JAFODIBJOQVQSL-KRWDZBQOSA-N 348.450 3.722 0 50 EHAA O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]1[C@H]1CCCO1 367439646 WAHRPOUEJWIUBB-ZIAGYGMSSA-N 331.309 3.628 0 50 EHAA Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1F 77323820 PORBKDSCWZSNOG-HXUWFJFHSA-N 348.437 3.640 0 50 EHAA CCCn1ccc2c(cnc3c(-c4ccc(F)cc4)c(C)nn32)c1=O 40396878 PCHWORKEKZIBLT-UHFFFAOYSA-N 336.370 3.569 0 50 EHAA CSc1ccccc1C(=O)NCCCc1nc2cc(F)ccc2[nH]1 223960637 CAAIRXDARKSZGZ-UHFFFAOYSA-N 343.427 3.787 0 50 EHAA NC(=O)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 226328832 OVUYYENRXYXNIM-UHFFFAOYSA-N 340.604 3.780 0 50 EHAA Cc1c(NC(=O)N(C)CCc2ccncc2)cccc1N1CCCC1 96152010 ICSCBFKAEGHLKQ-UHFFFAOYSA-N 338.455 3.697 0 50 EHAA COc1ccc2c(C)c(C(=O)N(C)CCC3(O)CCCC3)oc2c1 91547077 QPDHKGBICJQGEL-UHFFFAOYSA-N 331.412 3.517 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 250747625 MWJQKDSXKRYMDW-PKCACUDHSA-N 334.202 3.551 0 50 EHAA O=C(NC1(C2CC2)CC1)N1CCC[C@H](COc2ccc(F)cc2)C1 534640805 FGBOAFYGYPAZGR-AWEZNQCLSA-N 332.419 3.569 0 50 EHAA C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CCOc1ccccc1C(=O)O 183925346 XRSYHZSCVDSWOC-ZBFHGGJFSA-N 343.398 3.781 0 50 EHAA Cc1cc(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)nc(C)n1 542530674 GTAFAWDCSLRAMN-KRWDZBQOSA-N 337.423 3.660 0 50 EHAA C[C@H](Cn1cncn1)NC(=O)Nc1ccc(C2CCCCC2)cc1 299783505 ZSRCXSHUFGDXLZ-CQSZACIVSA-N 327.432 3.536 0 50 EHAA CN1CCC[C@@H](CCNC(=O)N(Cc2ccsc2)C2CCCC2)C1 584892850 RREBPCAWVPWJGG-INIZCTEOSA-N 349.544 3.934 0 50 EHAA C[C@H]1c2ccccc2OCCN1C(=O)NCC(C)(C)C1=CCOCC1 1345924675 WZKSMGRVEYEKLA-HNNXBMFYSA-N 344.455 3.525 0 50 EHAA O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCCO[C@H]2CCC[C@@H]21 169988207 BMJBLAFKXVNAQQ-PMACEKPBSA-N 338.451 3.784 0 50 EHAA Cc1cc(-n2ccnc2)ccc1CN1CCO[C@@H](c2ccsc2)C1 192069932 DMLYTYLIFUFOGG-LJQANCHMSA-N 339.464 3.816 0 50 EHAA CN(C(=O)c1cc(Cl)cs1)[C@@H]1CCN(Cc2ccccc2)C1 758679789 OSMPWSJCBKKXEC-OAHLLOKOSA-N 334.872 3.748 0 50 EHAA CN(Cc1cccc2cnccc12)C(=O)Nc1ccc(C(=O)O)cc1 1506418740 SHJOYTLRXRNFNC-UHFFFAOYSA-N 335.363 3.597 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2ccc(C(C)C)nc2O)C[C@H](C2CC2)O1 1529094003 FUKMUOPKRWLZMZ-CRAIPNDOSA-N 346.471 3.720 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 5383798 UWWCJMRSYZRTMP-KGLIPLIRSA-N 333.428 3.822 0 50 EHAA OCCNCc1c(OCc2ccccc2F)ccc2ccccc12 5321535 ZKYDMIUMCJOIHQ-UHFFFAOYSA-N 325.383 3.640 0 50 EHAA Cc1cccc(C)c1OCc1cc(C(=O)N2CCCC[C@H]2C)no1 11815156 HSKHYMTYYDPTPT-OAHLLOKOSA-N 328.412 3.885 0 50 EHAA Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)c1 12749037 RJWNMFNVBHRZDC-GOSISDBHSA-N 342.483 3.573 0 50 EHAA COc1cccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 455886 LXTXIBZSUKKHPT-JXMROGBWSA-N 346.839 3.875 0 50 EHAA O[C@H]1C2CCN(CC2)[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 4827621 RUPWEIHMVFBUON-UXHICEINSA-N 329.390 3.552 0 50 EHAA CCOC(=O)C[C@@H]1C(=O)C[C@H](c2ccccc2)N[C@H]1c1ccccc1 1319372 HRWUEUOAAKJSEV-OPYAIIAOSA-N 337.419 3.601 0 50 EHAA CN1C[C@@H](Cn2ccnc2-c2ccc3c(c2)Cc2ccccc2-3)CC1=O 1857696162 PQSHXVIJSSXQMT-HNNXBMFYSA-N 343.430 3.600 0 50 EHAA CCO[C@@H]1C[C@H](Nc2ccccc2S(=O)(=O)CC)C12CCCC2 301361869 OUMCVACHYSYZAE-DLBZAZTESA-N 337.485 3.630 0 50 EHAA O=S(=O)(c1ccccc1Cl)N1CC=C(c2cccs2)CC1 117932718 DIMFOKBCZXOTRQ-UHFFFAOYSA-N 339.869 3.880 0 50 EHAA C[C@H](Cc1ccccc1Cl)C(=O)NCc1ccc(C(=O)O)s1 263203048 MQFADXKNUQPXOU-SNVBAGLBSA-N 337.828 3.595 0 50 EHAA O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@@H](F)C(F)(F)F 815286444 MIOFBQKGDOIYNC-SSDOTTSWSA-N 339.195 3.513 0 50 EHAA C[C@H](C1CC1)n1cc(NC(=O)c2cccc3nc(C(F)F)[nH]c23)cn1 935484184 BGGVXTUFHVMOJX-SECBINFHSA-N 345.353 3.920 0 50 EHAA CC(C)(C)OC(=O)Nc1ccc(F)c(-c2cnc3n2CCOC3)c1 877870565 BJTDLWQDTMBHSJ-UHFFFAOYSA-N 333.363 3.566 0 50 EHAA O=C(c1scc2c1CCCC2)N1CCN(c2ccc(F)cc2)CC1 32875 VISDLJFFWZJXBB-UHFFFAOYSA-N 344.455 3.728 0 50 EHAA Cc1nc(-c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc2)cs1 6668241 PYYXNAANQQHGKL-HUUCEWRRSA-N 342.420 3.724 0 50 EHAA C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1 115847701 GRCXWFCHLUQNEW-ZBFHGGJFSA-N 348.443 3.701 0 50 EHAA CCOC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 227477 NTYNVLDMZUUGBQ-INIZCTEOSA-N 331.799 3.701 0 50 EHAA Cc1cc(C)c2c(CC(=O)N[C@H]3CC[C@@H](C(=O)O)CC3)coc2c1C 2356161690 FSWGHNLYDFSBGX-FZNQNYSPSA-N 343.423 3.660 0 50 EHAA COc1ccccc1CNC(=O)c1ccc(CN2CCCCC2)cc1 10332220 AGWPHVUPBIRBKR-UHFFFAOYSA-N 338.451 3.611 0 50 EHAA C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1cn2ncsc2n1 55385199 GMAAVYDTCIXNPY-IWERZKIRSA-N 344.484 3.575 0 50 EHAA CC1CCC(N2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)CC1 115568084 QEFSSCZLLOQIPL-PPSBMQLTSA-N 336.907 3.570 0 50 EHAA CCCCSc1ncc([C@@H]2CC(=O)Nc3snc(C)c32)cn1 65395675 PVVYTHOLAXBIGW-NSHDSACASA-N 334.470 3.608 0 50 EHAA CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2F)cc1 20252438 QHOFYAVQEVHAEK-SFHVURJKSA-N 340.398 3.631 0 50 EHAA COc1cc(-c2c(C)c3ccccc3[nH]c2=O)cc(OC)c1OC 67559826 OVBIUVGMMWUBHF-UHFFFAOYSA-N 325.364 3.529 0 50 EHAA Cc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N3c2ccc3c(c2)CCC3)s1 64093226 USCRJBORZBXPJP-HKUYNNGSSA-N 338.476 3.535 0 50 EHAA CN1CCC[C@@H]1CCn1ccnc1-c1ccc(Oc2ncccn2)cc1 67739521 ZHATWUXFTAQEAI-QGZVFWFLSA-N 349.438 3.617 0 50 EHAA CN(C(=O)c1cccc(-c2ncc[nH]2)c1)[C@H](c1ccccn1)C1CC1 216527483 ANGMOLYBMBMQSX-SFHVURJKSA-N 332.407 3.695 0 50 EHAA O=C(NCc1nc(C2CC2)no1)Nc1cccc(-c2cccs2)c1 170616082 GDEJFFXDNPFAAJ-UHFFFAOYSA-N 340.408 3.997 0 50 EHAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71768043 PKVVNUJNLGHBTG-QGZVFWFLSA-N 343.446 3.661 0 50 EHAA CO[C@@H](CNC(=O)c1noc2c1CCCCC2)c1ccccc1Cl 156254487 XDBASMGITGXNCJ-INIZCTEOSA-N 348.830 3.714 0 50 EHAA Cc1ccc2c(=O)n(CC[C@@H]3CCCCN3C3CCCC3)cnc2c1 32547783 IMOHRLNZCRBJTA-SFHVURJKSA-N 339.483 3.892 0 50 EHAA O=C(c1ccoc1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 77422307 XIDLHQBJRYMTGK-UHFFFAOYSA-N 339.313 3.982 0 50 EHAA COc1cc(NC(=O)Nc2cccc(CCC(=O)O)c2)c(C)cc1C 263105519 VEAZXSWKJBXFFU-UHFFFAOYSA-N 342.395 3.973 0 50 EHAA CCS[C@@H]1CC[C@H](NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)C1 241157281 JWKASENQKVUWHH-ZNMIVQPWSA-N 336.505 3.547 0 50 EHAA CC[C@@H](NC(=O)c1ccc(-c2ccccc2OC)cc1)C1CC(O)C1 222395770 NMUAVCMTQBYRMM-FAFZWHIHSA-N 339.435 3.642 0 50 EHAA Cn1ncc2c(N[C@H](Cc3ccccc3)c3cccs3)ncnc21 172329422 KXMSXJXSLYYKSF-OAHLLOKOSA-N 335.436 3.821 0 50 EHAA Cc1nn(C(C)C)c(C)c1-c1nc2c(cnn2Cc2cccs2)[nH]1 19147250 MYIJAQWYFQWYCE-UHFFFAOYSA-N 340.456 3.930 0 50 EHAA CCC(=O)NCc1ccccc1-c1cccc(C(=O)N2CCCC2)c1 96150917 KJNOKDXSQDZINV-UHFFFAOYSA-N 336.435 3.616 0 50 EHAA O=C(c1ccc(C[C@H]2COc3ccccc3C2)nc1)N1CCCCC1 92020712 AGNOQRAHEUXWQM-INIZCTEOSA-N 336.435 3.502 0 50 EHAA O=C(C1=COCCC1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 162291579 NMIJGTREWIPNTO-GOSISDBHSA-N 343.448 3.505 0 50 EHAA CCCCC[C@@H]1C[C@H](NCCCN(C)C)C=C(C)[C@H]1C(=O)OCC 245310678 JRFXBJKUUCWENF-GUDVDZBRSA-N 338.536 3.622 0 50 EHAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 257346524 OPILDTWOQIIZJT-JKMCDVCNSA-N 346.467 3.709 0 50 EHAA CN(CCC[C@H]1CCCO1)C(=O)NCc1ccc(F)cc1Cl 534673887 PLYGIVMXEOYSGU-AWEZNQCLSA-N 328.815 3.580 0 50 EHAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3[nH]c4ccccc4c3C)[C@H]2C1 299780936 BHJJWVFKQWGFBL-RYGJVYDSSA-N 328.456 3.635 0 50 EHAA CCc1ccccc1C(=O)N[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 823534700 AYGJDKPSUUIXTL-OJYSUCSVSA-N 327.468 3.699 0 50 EHAA CC1=CC[C@H]2CN(C(=O)c3cc(O)nc4ccc(F)cc34)C[C@H]2C1 1074584085 OCPDRYQTIGZEDQ-QWHCGFSZSA-N 326.371 3.508 0 50 EHAA COC(C)(C)c1nsc(N2CC3(CCC3)[C@H]2c2cccnc2)n1 1339823331 JPWRJNMAWVEXNQ-CYBMUJFWSA-N 330.457 3.546 0 50 EHAA CCCN(Cc1ccccc1F)C(=O)/C=C/c1cc(CO)cs1 952973300 RXWAUULXORIYRU-BQYQJAHWSA-N 333.428 3.832 0 50 EHAA FC(F)(F)c1cc(N[C@H]2CCCc3sccc32)n2ncnc2n1 183964796 RMSQLZLTZYIMTH-VIFPVBQESA-N 339.346 3.694 0 50 EHAA Cc1csc([C@@H](C)NC(=O)N(C)CC2(c3ccccc3)CC2)n1 188475919 MWINNDNCTNLMCW-CQSZACIVSA-N 329.469 3.886 0 50 EHAA CC(=O)N1CCN(c2cccc(NC3CC(c4ccccc4)C3)c2)CC1 188549737 ILGPUIGGXDPIBP-UHFFFAOYSA-N 349.478 3.713 0 50 EHAA Cc1ccccc1NS(=O)(=O)Cc1ccc(Br)cc1 16577795 LUBSUMGCQZPKJZ-UHFFFAOYSA-N 340.242 3.699 0 50 EHAA CCCN(Cc1ccc(C(C)C)cc1)C(=O)[C@@H]1CC[C@H](O)[C@H](OC)C1 1704335585 OWHACNGTDOKNSI-HSALFYBXSA-N 347.499 3.725 0 50 EHAA O=c1[nH]c(/C=C/c2ccc(Br)cc2)nc2ccccc12 13130704 UDWJYEMKNGMDSS-JXMROGBWSA-N 327.181 3.856 0 50 EHAA Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H]32)c2cc(Br)ccc2n1 1875358048 HQFOYXVPEFYYSY-KANYHAFZSA-N 345.240 3.834 0 50 EHAA CCc1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)c(O)n1 1775994195 XRLAULLEZYPTHH-NVXWUHKLSA-N 339.439 3.543 0 50 EHAA CCN(C(=O)CC1(CC(=O)O)CC1)[C@@H](C)c1cc2ccccc2o1 2325770675 XQNHEMDHBWXTDD-ZDUSSCGKSA-N 329.396 3.987 0 50 EHAA O=S(=O)(Nc1cccc2c1[C@H]1CC[C@H]2N1)c1sccc1C1CC1 2325807000 SRQOTCAYYLJUGZ-ZIAGYGMSSA-N 346.477 3.906 0 50 EHAA CCn1ccnc1[C@H](C)NC(=O)Nc1c(C(C)C)nc2ccccn12 933755682 RFPSHANDNQFAMG-ZDUSSCGKSA-N 340.431 3.557 0 50 EHAA O=C(Cn1cnc2ccccc2c1=O)c1ccc(Cl)c(Cl)c1 171473 BPTGUOCWLFMDLF-UHFFFAOYSA-N 333.174 3.586 0 50 EHAA CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 359488 ATAHVSVATVYHBH-UHFFFAOYSA-N 332.400 3.782 0 50 EHAA Cc1nn(-c2ccccc2)c2c1[C@H](O)n1c(nc3ccccc31)S2 405957 SBMNGBYQULPGSK-INIZCTEOSA-N 334.404 3.534 0 50 EHAA COc1ccc(NC(=O)COc2cc(C)cc(C)c2C)c(OC)c1 461946 MJQWITQVEMFOLB-UHFFFAOYSA-N 329.396 3.647 0 50 EHAA COC(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2C)c2ccccc21 248041862 MDWJQIDHXRKAMM-QYZOEREBSA-N 349.430 3.792 0 50 EHAA CC[C@]1(C)C[C@](CC(=O)O[C@H](C)CN(C)C)(c2ccccc2)CCO1 101113541 BQVOKFAZPLBWCA-UIFIKXQLSA-N 347.499 3.787 0 50 EHAA O=C(c1csc(C2CCCCC2)n1)N1CCO[C@@H](c2ccco2)C1 412180516 WHKMSZTUVRDFDD-MRXNPFEDSA-N 346.452 3.998 0 50 EHAA Cc1ccc(CN(CCCO)C(=O)c2ccc3ncsc3c2)s1 55283752 MAUSFRUFSRPSOY-UHFFFAOYSA-N 346.477 3.691 0 50 EHAA CC(C)(C)OC(=O)N1CCCc2ccc(NC(=O)C(F)F)cc21 225626286 YJSVCUCORHTEMY-UHFFFAOYSA-N 326.343 3.578 0 50 EHAA O=C(CCCN1CCc2ccccc21)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 225805894 YJAFZTVHCPOTMW-AJSBUHFISA-N 346.474 3.674 0 50 EHAA CC(C)[C@@H](C)n1ncc2[nH]c(-c3cccn3-c3nccs3)nc21 20363727 KBOVWFCACWGFEG-LLVKDONJSA-N 326.429 3.891 0 50 EHAA Cc1cccc(NC(=O)N2CCN(Cc3ccccc3Cl)CC2)c1 20661319 CCZCVEGBFGURBL-UHFFFAOYSA-N 343.858 3.998 0 50 EHAA COC[C@@H](O)Cn1ccnc1-c1cccc2c1sc1ccccc12 71439428 XZWSRZGSPZLPDX-ZDUSSCGKSA-N 338.432 3.925 0 50 EHAA Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2)s1 314938783 OPUGNTNDVFRTDQ-UHFFFAOYSA-N 345.829 3.517 0 50 EHAA CCc1ncc(CN2CCc3[nH]c4c(Cl)cccc4c3C2)cn1 72426667 BWNJAOVUSHJFNW-UHFFFAOYSA-N 326.831 3.732 0 50 EHAA CC1CC(NC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2C)C1 170650654 SAXMYAMDBOOZKK-KJXMEXGPSA-N 348.450 3.760 0 50 EHAA O=C(O)CCc1cccc(NC(=O)Nc2ccc3c(c2)CCCO3)c1 263362696 UXOHKCAINZPFRM-UHFFFAOYSA-N 340.379 3.673 0 50 EHAA CSCC(C)(C)C(=O)N1Cc2cccc(Br)c2C1 283490467 KZQMLOKKHOTDCB-UHFFFAOYSA-N 328.275 3.681 0 50 EHAA COc1ccc2[nH]cc(C3CCN(C(=O)c4cncc(C)c4)CC3)c2c1 173787820 HYUIQKCACGILQH-UHFFFAOYSA-N 349.434 3.900 0 50 EHAA NC1CC(c2cc(NCCc3ccc(Cl)cc3Cl)ncn2)C1 223673699 NWOLOELRMURQQI-UHFFFAOYSA-N 337.254 3.643 0 50 EHAA CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1 177021208 HYCASDYXNLXVJK-UHFFFAOYSA-N 348.349 3.907 0 50 EHAA O=C(NCC1(O)CCCCC1)Nc1ccc(Oc2ccccc2)nc1 96132653 DUMZIEYCIWWDPP-UHFFFAOYSA-N 341.411 3.691 0 50 EHAA Cc1nc2ccccc2nc1CN1C[C@H](Cc2ccccc2)CC1=O 95525763 ZBIWZYPDTGEBCO-QGZVFWFLSA-N 331.419 3.529 0 50 EHAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1)[C@@H]1C[C@@H]31 245226727 JQGWOWURTIHLPQ-HXIANDDZSA-N 341.410 3.911 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@H]1C[C@H](C)O[C@H](C)C1 248409664 XCJLFDZWQFKTBL-DLTLXFJOSA-N 348.491 3.609 0 50 EHAA Cc1ncsc1CCN(C)C[C@H]1CCCN1Cc1ccccc1 252486466 HLMAKRLZPDLFDT-GOSISDBHSA-N 329.513 3.590 0 50 EHAA C[C@H](CCc1ccccc1F)C(=O)N1CCC2(CCC(O)CC2)CC1 295625708 RZLNNDXHZLGNCU-MRXNPFEDSA-N 347.474 3.938 0 50 EHAA Cc1cc(C)c2nc(O)c(CN3CCC[C@H](c4ncc[nH]4)C3)cc2c1 253536513 HJBPZLMAGGEWDS-HNNXBMFYSA-N 336.439 3.660 0 50 EHAA CCc1noc(CN(CC)C(=O)Nc2cccc3cc(C)oc23)n1 299778173 RLMANEWHWCWDEV-UHFFFAOYSA-N 328.372 3.741 0 50 EHAA CCCc1cc(OC)c(CCNCc2ccccc2OC)cc1OC 299817276 QHEBYIJRKGDFGH-UHFFFAOYSA-N 343.467 3.997 0 50 EHAA in-vitro CN1CCCN(C(=O)[C@@H]2Cc3ccc(Cl)cc32)c2cc(F)ccc21 1354106505 CHUWASSRXIVYJE-MRXNPFEDSA-N 344.817 3.992 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)c(C)n1 952992209 YLCNYBNRNKMKBL-SFHVURJKSA-N 340.423 3.899 0 50 EHAA CC(C)(C)c1cnc(CCC(=O)N2CCS[C@H]3CCCC[C@@H]32)o1 193747924 KCCPGGCFMHYVRT-KBPBESRZSA-N 336.501 3.791 0 50 EHAA Cc1cc(C(=O)N2CCC3(CC2)OCCc2sccc23)c(C)o1 1704298114 FKNNMEOERNCNCF-UHFFFAOYSA-N 331.437 3.662 0 50 EHAA O=C(NCC(F)(F)F)c1ccc2oc(CCc3ccccc3)nc2c1 12056353 SWFIARUTGMURNG-UHFFFAOYSA-N 348.324 3.905 0 50 EHAA COc1ccc(-c2nnc(-c3nnn(-c4cccc(C)c4)c3C)o2)cc1 12274057 VBBGUZVDFFHYNJ-UHFFFAOYSA-N 347.378 3.610 0 50 EHAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 12434865 ZOXITHPKYIFOSD-QGZVFWFLSA-N 326.465 3.898 0 50 EHAA CC(C)COC(=O)C(C(=O)OCC(C)C)c1nc2ccccc2s1 3107022 LILBKYLHFKHEJT-UHFFFAOYSA-N 349.452 3.778 0 50 EHAA Cc1ccc(OCC(=O)NC(=S)Nc2c(C)cccc2C)cc1 450855 PPKFKRLQCYLQBK-UHFFFAOYSA-N 328.437 3.504 0 50 EHAA CCOC(=O)[C@H]1CCCN(CCCCOc2cccc(OCC)c2)C1 6727395 JNXCQSZQHFKSMO-KRWDZBQOSA-N 349.471 3.519 0 50 EHAA Cc1nc(-c2cccc(C(=O)O[C@H]3CCN4CCC[C@H]4C3)c2)cs1 252502975 UWDUJTYKGHHOSE-IRXDYDNUSA-N 342.464 3.902 0 50 EHAA NC1(c2noc(COc3cc(Cl)ccc3Cl)n2)CCCC1 261886917 XAKCKZSCLPSGPL-UHFFFAOYSA-N 328.199 3.683 0 50 EHAA CC(C)Oc1cccc(CN(C)Cc2nc(-c3ccccn3)no2)c1 372882265 PCBUVLNAYCUBGU-UHFFFAOYSA-N 338.411 3.551 0 50 EHAA C[C@@H](NCc1ccncc1Cl)c1ccc(N2CCCNC2=O)cc1 812899887 OSCQEWCPLNOJAM-CYBMUJFWSA-N 344.846 3.506 0 50 EHAA Cc1cc(Cl)cc(C(=O)N[C@@H](C(=O)O)[C@@H]2CCc3ccccc32)c1 1875344972 QLSSJOANTVPRBY-IAGOWNOFSA-N 343.810 3.561 0 50 EHAA COc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2)c(C(F)F)c1 1875306567 KOHZCOOEPXMJNR-ZDUSSCGKSA-N 346.377 3.642 0 50 EHAA Cc1cc(NC(=O)c2cc(F)cnc2Cl)n(Cc2ccccc2)n1 1875364994 KTKBDBQORHXKIN-UHFFFAOYSA-N 344.777 3.680 0 50 EHAA COc1cccc(CN2c3cccc4cccc(c34)S2(=O)=O)c1 527969 NFQOQLNPERUKCK-UHFFFAOYSA-N 325.389 3.557 0 50 EHAA Cc1noc(NC(=O)c2cc(C(F)F)[nH]n2)c1-c1ccc(F)cc1 2100473552 BHPNOVSEZJWZRU-UHFFFAOYSA-N 336.273 3.702 0 50 EHAA OC1(c2nc(-c3c(Cl)nc4sccn34)no2)CCCCCC1 2325774285 BRRKEGWFIXQRFN-UHFFFAOYSA-N 338.820 3.641 0 50 EHAA N[C@@H](Cc1ccc(C(F)F)cc1)C(=O)NC1CCC2(CCC2)CC1 2325787628 MCOUMCLWMITLCV-INIZCTEOSA-N 336.426 3.723 0 50 EHAA Cc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccn2)n1 2332237412 ABEQMBMTCKMWFL-UHFFFAOYSA-N 349.438 3.580 0 50 EHAA O=C(NCc1ccco1)c1cc2cc(Cl)cc(Cl)c2oc1=O 99860 KPWIDGUZNSRZBL-UHFFFAOYSA-N 338.146 3.623 0 50 EHAA O=S(=O)(CCc1nc2ccccc2[nH]1)c1ccc2ccccc2c1 258719 QWYUZTRZKGNDPN-UHFFFAOYSA-N 336.416 3.733 0 50 EHAA Cc1ccc(OCCn2c(SCC(=O)O)nc3ccccc32)cc1 310946 VEQKRKNBWXIGHQ-UHFFFAOYSA-N 342.420 3.600 0 50 EHAA O=C(O)CC1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 548215 NIDKBNQBLXAVOC-MRXNPFEDSA-N 343.766 3.715 0 50 EHAA CCN1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 1460327 UWWKBWKXCHLRFA-UHFFFAOYSA-N 336.435 3.525 0 50 EHAA Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CCCCCC1 2780505 PGXUETIPJBHUBQ-SNVBAGLBSA-N 337.773 3.827 0 50 EHAA COc1cc(S(=O)(=O)Oc2cc(C)ccc2C)ccc1Cl 2835146 NIQPHTRITUWOSD-UHFFFAOYSA-N 326.801 3.733 0 50 EHAA COc1cc(OC)c(NC(=O)CC(=O)c2ccccc2)cc1Cl 2867288 GOYZVLYXWXHLPL-UHFFFAOYSA-N 333.771 3.569 0 50 EHAA COCCNc1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 3589037 VXFCXWRXPCKHER-UHFFFAOYSA-N 330.819 3.725 0 50 EHAA Cc1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1 4073821 JYYSLEHBDLSHTC-NRFANRHFSA-N 345.402 3.716 0 50 EHAA biogenic CCCOc1c(Br)cc(/C=C\[N+](=O)[O-])cc1OCC 5046646 APJMYWFBOOWKOW-WAYWQWQTSA-N 330.178 3.884 0 50 EHAA O=C(c1ccncc1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 12315371 UUKVRLQRJDSWMK-OAHLLOKOSA-N 330.378 3.845 0 50 EHAA CC1=C(C)C[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2C1 15684739 IIQPYIRWPMQXIG-KBPBESRZSA-N 334.213 3.685 0 50 EHAA O=C(CCc1ccc(F)cc1)Nc1ccccc1C(=O)N1CCCC1 51529298 KHHRHNQEIUFTHY-UHFFFAOYSA-N 340.398 3.633 0 50 EHAA CCC[C@H](C)c1nnc(NC(=O)c2ccccc2CN(C)C)s1 55090411 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CCCC[C@H](CC(=O)O)NC(=O)c1oc2cc(OC)ccc2c1C 95523986 RTLYCXRKJKONQV-GFCCVEGCSA-N 333.384 3.513 0 50 EHAA O=C(c1c[nH]nc1C1CCCCC1)N(CCCO)Cc1cccs1 97553321 GHUUEJBHSURFHV-UHFFFAOYSA-N 347.484 3.544 0 50 EHAA Cc1ccc(Nc2ccccc2C(=O)N2CCC[C@H](C(=O)O)C2)cc1 128499461 SZFRMLOYUCUBJZ-HNNXBMFYSA-N 338.407 3.675 0 50 EHAA O=C(CCC1CCCC1)N1CCN(Cc2csc(C3CC3)n2)CC1 135025540 NTSLTEAOMSXRNK-UHFFFAOYSA-N 347.528 3.635 0 50 EHAA CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc2cn[nH]c2c1 170610332 ZRLHVMLTXCBVFC-GOSISDBHSA-N 339.414 3.628 0 50 EHAA CSCC[C@H](NCc1ccc(-c2ccc(F)cc2)s1)C(=O)O 170612839 POIAMGJTKIESHY-AWEZNQCLSA-N 339.457 3.850 0 50 EHAA O=C(c1ccc(-c2ncn[nH]2)cc1)N(CC1CCC1)c1ccccc1 186051910 DHZILDIHCPKIMZ-UHFFFAOYSA-N 332.407 3.919 0 50 EHAA Cc1c(C(=O)N(C)[C@H](C)c2ccccn2)[nH]c2c1C(=O)CC(C)(C)C2 195101789 WMRMNJCWVWROQZ-CYBMUJFWSA-N 339.439 3.706 0 50 EHAA COc1ccc(F)c(F)c1CN(C)Cc1noc(C2CCCC2)n1 215541895 JAJAITYWTMUWIE-UHFFFAOYSA-N 337.370 3.646 0 50 EHAA CCc1ncc(CN(Cc2ccc(OC)cc2)Cc2ccccn2)cn1 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c1cc(CN2CCCC[C@@H]2CN2CCOCC2)cc(-c2ccco2)c1 77471752 LCLHOUFZXLVLLS-HXUWFJFHSA-N 340.467 3.633 0 50 EHAA CCN(CCN1CCCCCC1)C(=O)Nc1ccc(C(C)=O)cc1 95531130 OCRYQGOHIQETKG-UHFFFAOYSA-N 331.460 3.619 0 50 EHAA Cc1n[nH]c(C2CC2)c1C(=O)N(C)Cc1cccc(C(F)(F)F)c1 97742731 MSXLQDSNYPEZDD-UHFFFAOYSA-N 337.345 3.887 0 50 EHAA CC(C)(C)Oc1ccccc1NC(=O)N(C[C@H]1CCOC1)C1CC1 115778633 GHNGBGNNWRTRRI-CQSZACIVSA-N 332.444 3.897 0 50 EHAA C[C@H]1CN(C)c2ccccc2N(Cc2cc3ccccc3c(=O)[nH]2)C1 119457236 VFENKZMSXXAKOT-HNNXBMFYSA-N 333.435 3.621 0 50 EHAA CC(=O)N1CCc2cc(N[C@@H](C)c3nc(-c4ccccc4)no3)ccc21 121095622 NVQHTOJBZZVPSW-ZDUSSCGKSA-N 348.406 3.819 0 50 EHAA CC[C@@H](CS(=O)(=O)c1ccccc1)Nc1nc2cc(F)ccc2o1 132146194 RPMWLBXAWZAIJN-ZDUSSCGKSA-N 348.399 3.631 0 50 EHAA Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1CCCC(=O)O 132803292 DNYPRXIGOJUQBQ-ZDUSSCGKSA-N 327.856 3.503 0 50 EHAA CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)c1ccc(F)c(F)c1 133590984 PPGMLTSSYZUNEL-GOSISDBHSA-N 343.377 3.520 0 50 EHAA 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CC(=O)N(C)c1cccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c1 248404615 AFVIFFGYESVTQM-DOPJRALCSA-N 329.444 3.712 0 50 EHAA Cc1cccc(C)c1NC(=O)CSCC(=O)Nc1ccccc1 50105 JJVKTVIOJWBWOQ-UHFFFAOYSA-N 328.437 3.614 0 50 EHAA O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 60022 NVTGFULEYTWHHO-UHFFFAOYSA-N 335.234 3.956 0 50 EHAA CCOC(=O)c1c(NC(=O)c2cccnc2)sc2c1CC[C@@H](C)C2 117817 JGJFWEKORJVQHS-LLVKDONJSA-N 344.436 3.697 0 50 EHAA COc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1Cl 151211 MMYVAAPHMMSIRR-UHFFFAOYSA-N 347.827 3.956 0 50 EHAA O=C(CCSc1ccccc1)N1CCN(c2ccccc2F)CC1 279649 MINAIEYNOWLDLR-UHFFFAOYSA-N 344.455 3.657 0 50 EHAA Cc1ccc(OCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cc1 313922 IJSVDFDBCHZDNL-UHFFFAOYSA-N 326.396 3.607 0 50 EHAA C[C@H](Nc1nc(N2CCOCC2)nc2ccccc12)c1ccccc1 568537 XHYVKNDONGWIHK-HNNXBMFYSA-N 334.423 3.640 0 50 EHAA CCCCOC(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 2083811 GOLXSFLHJOZZGS-UHFFFAOYSA-N 327.380 3.904 0 50 EHAA O=C(CSc1ccc(Cl)cc1)Nc1ccc(-n2cncn2)cc1 2544824 UOWOOQRNUYJUGB-UHFFFAOYSA-N 344.827 3.652 0 50 EHAA CN1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 2586028 MOJZPKOBKCXNKG-YJBOKZPZSA-N 343.398 3.669 0 50 EHAA biogenic,investigational Cc1cccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)n1 4750511 VYNOAKOFQFLGEW-LLVKDONJSA-N 335.201 3.559 0 50 EHAA O=C(Nc1ccc2oc3c(c2c1)CCCC3)[C@H]1CC=CC[C@H]1C(=O)O 4788700 VLLLKBSANCJDDA-LSDHHAIUSA-N 339.391 3.917 0 50 EHAA CCn1c([C@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 4911275 CJWATDXISGNHMK-KRWDZBQOSA-N 333.435 3.615 0 50 EHAA COc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 9259143 UIFPWQBISWNXHQ-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA Cc1c([C@H](C)NC(=O)/C=C/c2ccco2)cnn1-c1cccc(F)c1 12580899 YMMAAOSKZLPKOB-XEHSLEBBSA-N 339.370 3.803 0 50 EHAA CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(O)cc2)s1 17070743 YTRVMTROTYAAAN-UHFFFAOYSA-N 336.438 3.612 0 50 EHAA Cc1[nH]c([C@H]2CC(=O)N(C(C)(C)C)C2)nc1-c1ccc(F)cc1F 19956810 RLWSXKFYPIQZKX-NSHDSACASA-N 333.382 3.778 0 50 EHAA CCOc1c(CNC[C@@H](O)c2ccccc2)cc(Cl)cc1OC 20476813 OEXCGISTRNEMNC-MRXNPFEDSA-N 335.831 3.571 0 50 EHAA Cc1ccc(CN2CCC(=O)N(Cc3ccccc3C)CC2)s1 20920399 KXDZTOZOHXYYRF-UHFFFAOYSA-N 328.481 3.599 0 50 EHAA CN1CCCC[C@@H]1CCn1cnc2c(Cl)cc(Cl)cc2c1=O 32590382 ZZRCAQFRSBSYLJ-GFCCVEGCSA-N 340.254 3.578 0 50 EHAA Cc1ccc2nc([C@H]3CCCN3C(=O)NCc3ccccc3)[nH]c2c1 57979648 HASMECBJCZYCDR-GOSISDBHSA-N 334.423 3.918 0 50 EHAA O=C(O)c1ccc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1 71283731 ARJSCAVEUJGGSR-AWEZNQCLSA-N 325.368 3.820 0 50 EHAA Nc1ccsc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 71662399 NHBSUMYRPRLTER-CYBMUJFWSA-N 332.444 3.954 0 50 EHAA COCc1ccc(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)o1 71748887 UFGLMPWUOIABAP-UHFFFAOYSA-N 326.396 3.763 0 50 EHAA CCCc1oncc1C(=O)N1CCC[C@@H](COc2ccc(C)cc2)C1 82097454 ROQJLAAKXGZEGX-MRXNPFEDSA-N 342.439 3.867 0 50 EHAA Nc1ccsc1C(=O)N1CCCC[C@H]1CCc1cccc(O)c1 91425140 UDEFQWLMPAIBNZ-AWEZNQCLSA-N 330.453 3.663 0 50 EHAA Cc1cc2ccccc2n1CCNC(=O)c1cc(CC(C)C)no1 91452190 HMUPFNYJTBSQDE-UHFFFAOYSA-N 325.412 3.566 0 50 EHAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(Br)c(Cl)c1 101700328 BKJFCKVRJCQHIU-NXEZZACHSA-N 342.620 3.782 0 50 EHAA CC(C)OC(=O)COc1ccc2occ(C(=O)c3ccco3)c2c1 170622148 PTIBLSVQWFOFHN-UHFFFAOYSA-N 328.320 3.587 0 50 EHAA Cc1ccc(SC[C@H](C)NC(=O)[C@H](C)c2c(C)n[nH]c2C)cc1 186701849 KAUPTAIAYGEOMJ-QWHCGFSZSA-N 331.485 3.735 0 50 EHAA Cc1cccc2[nH]c(CCC(=O)N3CCC(c4ccncc4)CC3)nc12 192291970 LASXITVNKXIYGC-UHFFFAOYSA-N 348.450 3.605 0 50 EHAA S=C1O[C@]2(C[C@@H]3C=C[C@@H]4C=C[C@@H]2[C@H]43)[C@@]2(C[C@@H]3C=C[C@@H]4C=C[C@@H]2[C@H]43)O1 216417037 MJCXAPCUBRDHDH-JZUDVXJJSA-N 336.456 3.812 0 50 EHAA Cc1nn(CCC(=O)N[C@H](CC(C)(C)C)c2cccnc2)c(C)c1C 219136985 UEYCANVUSUGODH-GOSISDBHSA-N 342.487 3.887 0 50 EHAA Cc1csc([C@H](C)CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 221809278 YEMPUJVPCCCMMG-JLLWLGSASA-N 349.422 3.975 0 50 EHAA O=C(CCc1ccc(Cl)c(Cl)c1)NCCCN1CCCCC1 225330073 MJALRFVVZKKJGG-UHFFFAOYSA-N 343.298 3.918 0 50 EHAA Cc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@H]3Cc4cccc(F)c4O3)C2)cc1 241795526 RZXAREXRLPQBEA-POZUXBRTSA-N 339.410 3.842 0 50 EHAA CC(C)(C)C1CCC(=CC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CC1 253397464 VAQSSNWYMJJNTJ-NRHWTYQISA-N 349.515 3.538 0 50 EHAA NC(=O)c1ccc(Cl)c(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)c1 253416152 BOGJTIWYGAIKPL-KBPBESRZSA-N 328.799 3.571 0 50 EHAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC(CC(=O)O)CC3)oc12 262476091 SXUDDBSVKHQRGG-UHFFFAOYSA-N 329.396 3.685 0 50 EHAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc(F)c(Cl)c1 275572323 OMNSDFIRFFEUQH-SUMWQHHRSA-N 337.826 3.563 0 50 EHAA C[C@H](NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F 283264113 WFKCVEKZNHNASV-GJZGRUSLSA-N 344.405 3.778 0 50 EHAA Cc1c(CC(=O)N(CC2CCC2)[C@H](C)c2ccccc2)cnn1C 292625651 CFFYEJFYRYOEKE-MRXNPFEDSA-N 325.456 3.661 0 50 EHAA C[C@H](CCC(C)(C)C)NCc1ccccc1CN1CCC(O)CC1 342689101 MLJPPWQBWMEUES-QGZVFWFLSA-N 332.532 3.948 0 50 EHAA CN(C[C@H]1CC=CCC1)C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 345456599 DVBBGWYODRUBBQ-AWEZNQCLSA-N 336.439 3.777 0 50 EHAA Cn1ncnc1CN1CC[C@@H](c2cccc(Oc3ccccc3)c2)C1 370214664 HPDNAIOBJOPUSN-QGZVFWFLSA-N 334.423 3.597 0 50 EHAA CCc1ccc2occ(C(=O)N3CCC[C@@H]3[C@H]3CCC[C@H]3O)c2c1 408519929 TWDAAHIBVNVDOJ-ZTFGCOKTSA-N 327.424 3.761 0 50 EHAA O=C(N[C@H]1CCC[C@H]1Cc1ccc(F)cc1)N1CCC(F)(F)CC1 534641460 GWOYBXZPNAEUGI-HOCLYGCPSA-N 340.389 3.978 0 50 EHAA CCc1cnc(CN(C)Cc2sncc2Br)s1 952880796 LYJYLVCPNPHYOD-UHFFFAOYSA-N 332.292 3.557 0 50 EHAA C[C@H]1CN(Cc2cc3c(O)cccc3s2)c2ccccc2C(=O)N1 1474557349 QRCNQPKHHVMSBM-LBPRGKRZSA-N 338.432 3.745 0 50 EHAA C[C@H](CC(=O)Nc1c(O)ccc(Br)c1F)C(F)(F)F 1857530364 CDWOKUYCXRJWSB-RXMQYKEDSA-N 344.102 3.821 0 50 EHAA CCOC(=O)c1cnc(C(C)=Cc2ccc(F)cc2Cl)nc1O 1857531653 LESTYQAACUJAIX-UHFFFAOYSA-N 336.750 3.712 0 50 EHAA C[C@H](NC(=O)[C@H]1CCCc2cc(O)ccc21)c1ccc2c(c1)CCO2 2325774543 ZVUYIFFJWAGDJW-DJJJIMSYSA-N 337.419 3.624 0 50 EHAA NC1CC2(C1)C[C@@H]2C(=O)N1CCCC[C@@H]1CCCc1ccccc1 2325792285 SJYZAKIJJQTRNW-XTBIFASLSA-N 326.484 3.518 0 50 EHAA Cc1cccnc1C1CCN([C@H](C)c2cn(-c3ccccc3)nn2)CC1 2325809809 PLBYPBIXRJMPGL-QGZVFWFLSA-N 347.466 3.911 0 50 EHAA Fc1ccccc1-c1ccc(CN2CC(Cn3ccnc3)C2)s1 2325856491 RMBDFPITOXEGFH-UHFFFAOYSA-N 327.428 3.883 0 50 EHAA N[C@@H]1CN(Cc2nc3cc(Cl)ccc3s2)Cc2ccccc21 2325857075 ODXGMZOYXJHLPS-CQSZACIVSA-N 329.856 3.965 0 50 EHAA Cc1ccc([C@]2(C)CCN(Cc3ccnn3-c3ccncc3)C2)cc1 2325857248 UXBPHLWYUMUSTA-OAQYLSRUSA-N 332.451 3.739 0 50 EHAA O=S(=O)(Nc1cccc(Cl)c1O)c1sccc1C1CC1 2325866770 ZIDMPAQXJOKTTL-UHFFFAOYSA-N 329.830 3.785 0 50 EHAA CC(C)(C)c1cc(NC(=O)c2ccccc2)n(Cc2ccccn2)n1 2328794604 DCWHVMIMFKXLHB-UHFFFAOYSA-N 334.423 3.876 0 50 EHAA O=C(Nc1ccc(Br)cc1)c1cc2ccccc2oc1=O 130271 MPFQLHJYNVDUEK-UHFFFAOYSA-N 344.164 3.808 0 50 EHAA Nc1cccc(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)c1 239592 CAZDMNGOHDBNKI-UHFFFAOYSA-N 337.423 3.584 0 50 EHAA CC(=O)c1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 248923 XXCHTHVYNFKJHW-UHFFFAOYSA-N 331.437 3.889 0 50 EHAA CC(C)CC(=O)Nc1ccc(I)cc1Cl 305990 UTUXCGWFYGRXGM-UHFFFAOYSA-N 337.588 3.929 0 50 EHAA COc1ccc(NC(=S)NCc2ccc(Cl)cc2)c(OC)c1 307517 LXKYCQKMBZUNJK-UHFFFAOYSA-N 336.844 3.844 0 50 EHAA CC[C@@H](NC(=O)c1cc(-n2cnnc2)ccc1Cl)c1ccccc1 360402 XNLCAJDXSUKVOX-QGZVFWFLSA-N 340.814 3.802 0 50 EHAA COc1ccc(CCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 441862 IHCSUAUXPRVSNL-UHFFFAOYSA-N 341.451 3.730 0 50 EHAA CC(C)(C)OC(=O)N[C@H](CO)C(c1ccccc1)c1ccccc1 2387265 OGVCRJDQGBIHAG-QGZVFWFLSA-N 327.424 3.704 0 50 EHAA Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2)n1 2872433 PVUZIVXBZPCVAD-UHFFFAOYSA-N 327.331 3.535 0 50 EHAA COc1cccc(NC(=O)Cn2c(C)c(C(C)=O)c3ccccc32)c1 2875997 YHXNZPCDWUUJCR-UHFFFAOYSA-N 336.391 3.800 0 50 EHAA CC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc1 3465417 FIIRXFFIRVNALL-HNNXBMFYSA-N 340.398 3.941 0 50 EHAA CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccccc1 4855892 NLRSSDALDLVWJM-GFCCVEGCSA-N 339.844 3.778 0 50 EHAA O=C(COc1ccc(CO)cc1)Nc1ccc(Cl)c(Cl)c1 4856098 VVHOOHADDUTIRT-UHFFFAOYSA-N 326.179 3.503 0 50 EHAA CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N(C)C 6701877 XOPCCAXXODYORG-UHFFFAOYSA-N 340.423 3.529 0 50 EHAA O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1cccc2c1N=S=N2 247760753 HEWPZQCHYVQYIP-OLZOCXBDSA-N 330.457 3.864 0 50 EHAA CCc1nc(NCc2cccnc2Oc2ccc(C)nc2)ncc1C 67772940 QHQIVWAQDLMNHC-UHFFFAOYSA-N 335.411 3.850 0 50 EHAA C[C@H](OC[C@H](O)CN1CCn2cccc2[C@H]1C)c1ccc(Cl)cc1 249522479 OITKTIVKDVWHHD-RVKKMQEKSA-N 348.874 3.657 0 50 EHAA CNC(=S)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 117617306 KZXYIOKOAAHSOE-OAHLLOKOSA-N 329.856 3.648 0 50 EHAA O=C([C@@H]1CC=CCC1)N1CCc2[nH]nc(-c3ccccc3Cl)c2C1 23399615 BBGZFHHSNCCNFU-CYBMUJFWSA-N 341.842 3.971 0 50 EHAA CC(C)Cc1cn(C[C@@H]2CCCN(C(=O)C3CCCCCC3)C2)nn1 63844926 DKISMOUAUNSIPO-QGZVFWFLSA-N 346.519 3.686 0 50 EHAA COc1ccc(CN2CCC(CN3CCCCC3)CC2)c(F)c1F 77456017 KCQZVNPMWMNWLF-UHFFFAOYSA-N 338.442 3.671 0 50 EHAA COc1ccc(NC(=O)C2=C(C)OCCC2)cc1OCC(F)(F)F 119098031 PMCGZQVXXVVANX-UHFFFAOYSA-N 345.317 3.659 0 50 EHAA Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@@H]1c1ccccn1 77564084 DNXRUUBXDCHXRT-OAHLLOKOSA-N 340.814 3.668 0 50 EHAA CCOc1cc(C)c(CN2CC[C@@]3(C2)CN(C)C(=O)O3)cc1C(C)C 72453578 QYUOCGFFBRAXLL-FQEVSTJZSA-N 346.471 3.544 0 50 EHAA Cc1cc(O)nc(C(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)c1 328590385 JWFFIPCNXHDQOC-GFCCVEGCSA-N 339.420 3.710 0 50 EHAA COc1ccc([C@H]2CCCN2C(=O)NCc2ccc(F)cc2)cc1 30983690 DPNXXXVSHMSJKQ-GOSISDBHSA-N 328.387 3.881 0 50 EHAA O=C(O)c1ccc(C(=O)N(Cc2ccc(F)cc2)CC2CC2)s1 237965330 WSZNRJNMCZHBIA-UHFFFAOYSA-N 333.384 3.638 0 50 EHAA CSCc1ccc(C(=O)N2CCCN(c3ccccc3C)CC2)o1 82127916 GTOHVKFRWKFSHR-UHFFFAOYSA-N 344.480 3.804 0 50 EHAA CCc1nc(N[C@H](Cc2ccccc2)C(=O)O)c2cc(C)sc2n1 41090723 YCEUCEHRLIUUQN-CQSZACIVSA-N 341.436 3.670 0 50 EHAA COc1ccc(-c2ccc(=O)n(Cc3ccccc3Cl)n2)c(F)c1 44919854 XFERKHCESIWZQH-UHFFFAOYSA-N 344.773 3.760 0 50 EHAA c1coc(-c2nc(CCCn3ccnc3)n(C3CCCCC3)n2)c1 96151536 KATVKVUTSFGNJS-UHFFFAOYSA-N 325.416 3.873 0 50 EHAA NC[C@H]1CCN(Cc2ccccc2OCc2c(F)cccc2Cl)C1 97815033 WPPZWTXUEIRTSE-CQSZACIVSA-N 348.849 3.839 0 50 EHAA CCN(Cc1noc(C2CCC2)n1)C(=O)Nc1cccc2c1CCC2 95529497 OOUBETCVCRLHKU-UHFFFAOYSA-N 340.427 3.880 0 50 EHAA Cc1nc2c(c(N3CCC(F)(F)CC3)n1)Cc1ccccc1OC2 96161976 TTXITKMGUPAJCU-UHFFFAOYSA-N 331.366 3.504 0 50 EHAA Cc1cc(C)c2c(N[C@H](C)c3nncn3C3CCCC3)ncnc2n1 95387874 PKBFXXWIGUEXKY-CYBMUJFWSA-N 337.431 3.521 0 50 EHAA O=C(NCc1ccc(-n2cccn2)cc1)c1cc2c(s1)CCCC2 91504198 QXZMRNFCDYNLJW-UHFFFAOYSA-N 337.448 3.743 0 50 EHAA COc1ccccc1-n1nc(C2CC2)nc1CCc1cc(Cl)no1 96151259 WUIZAUXDEJFDMG-UHFFFAOYSA-N 344.802 3.580 0 50 EHAA CC(C)Cc1cc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)[nH]n1 97759365 SPVXQPUYNIZCAA-UHFFFAOYSA-N 336.439 3.894 0 50 EHAA CC(=O)[C@]1(O)[C@H](C)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 253500267 RGHGKGRVFXQGOV-OHZPGVFYSA-N 348.527 3.956 0 50 EHAA CCCn1nc(COc2ccccc2OC)nc1-c1oc(C)nc1C 823032987 CMABWRGRKIJLPC-UHFFFAOYSA-N 342.399 3.548 0 50 EHAA Cc1ccc([C@H](NC(=O)Cc2c(C)noc2C)c2cccnc2)cc1C 827847065 YRPOROPXRSIBPG-NRFANRHFSA-N 349.434 3.752 0 50 EHAA Cc1cccc(C)c1NC(=O)CN(C)c1cccc(C(F)(F)F)n1 267232612 QHHIFQWWCSHDRW-UHFFFAOYSA-N 337.345 3.792 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ncc(-c2ccccc2)o1 274786027 MBSDUOIOZVPWBB-OAGGEKHMSA-N 326.396 3.559 0 50 EHAA C[C@@H]1C[C@@H](N[C@H]2CCO[C@@H]2c2nccn2C)C[C@H](c2ccccc2)C1 275550801 NJPRDARFMGDSGD-VRCPBSEVSA-N 339.483 3.812 0 50 EHAA CCOc1cccc2[nH]cc(CC(=O)N(Cc3ccncc3)C3CC3)c12 187422086 NUGBLDVPWKSALY-UHFFFAOYSA-N 349.434 3.695 0 50 EHAA COc1cccc2c1CC[C@@H](NCc1ccc(F)c(CN(C)C)c1)C2 192442656 MYARRQSIXCAQCE-GOSISDBHSA-N 342.458 3.543 0 50 EHAA CC[C@H](C)C(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 11790258 SGACGIQMWSTNTM-LRDDRELGSA-N 344.842 3.868 0 50 EHAA Cc1ccccc1CNC(=O)c1coc(COc2cccc(F)c2)n1 12714051 UODJKMBERJGUIK-UHFFFAOYSA-N 340.354 3.631 0 50 EHAA O=C(Nc1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1 14396724 BXRMHSDSBWLHEN-UHFFFAOYSA-N 332.403 3.929 0 50 EHAA Fc1ccccc1[C@@H]1CN(C2CCOCC2)Cc2ccccc2O1 14973742 IKVLIBMZPJMCLR-FQEVSTJZSA-N 327.399 3.940 0 50 EHAA CCOC(=O)c1sc(NC(=O)C(C)(C)C)nc1-c1ccccc1 16604538 PDQKKSMWZKDXNR-UHFFFAOYSA-N 332.425 3.971 0 50 EHAA C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC(n2cncn2)CC1 156648592 AUQPOWMCYBTVAZ-LBPRGKRZSA-N 340.349 3.575 0 50 EHAA CCOc1ccc2ccccc2c1-c1nccn1[C@H]1COC[C@@H]1OC 1857671374 VMRQIWMSTHYHFE-WMZOPIPTSA-N 338.407 3.688 0 50 EHAA C[C@H]1C[C@H](n2ccnc2-c2cccc(OCc3ccccn3)c2)CCN1 1857725041 SZTAXTOIPHZEQS-QFBILLFUSA-N 348.450 3.837 0 50 EHAA CCOc1ccc2nccc([C@H](O)[C@H]3C[C@H]4CCN3C[C@@H]4CC)c2c1 1318746 SUWZHLCNFQWNPE-RSMHBEIYSA-N 340.467 3.787 0 50 EHAA biogenic,in-vitro C[C@@H](C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1 497241158 BLIRNYSBDVGFRL-INMHGKMJSA-N 346.471 3.694 0 50 EHAA Cc1oc2ccccc2c1CCNC(=O)c1ccc(C(C)C)nc1O 935421784 XIWFQLYADIHUHV-UHFFFAOYSA-N 338.407 3.938 0 50 EHAA CCCc1[nH]ccc1C(=O)NC1CCC(O)(c2cccc(F)c2)CC1 1775986536 JEBXMDSXYSOGPS-UHFFFAOYSA-N 344.430 3.667 0 50 EHAA COc1ccc(Br)cc1CNc1ccc2[nH]ncc2c1 19809360 MNMYWQBTTNZWLT-UHFFFAOYSA-N 332.201 3.946 0 50 EHAA Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 106312 KXGOGRVRFZNLLJ-UHFFFAOYSA-N 328.437 3.677 0 50 EHAA CCN1CCC[C@H](NCc2cccc(-n3cncn3)c2)c2ccccc21 2325773695 QAISGUWYOZWBTO-FQEVSTJZSA-N 347.466 3.718 0 50 EHAA Cn1nc(-c2nc([C@H]3CCc4ccccc4C3)no2)cc1C(F)(F)F 2325850655 DUHATRDGVUMJPJ-LBPRGKRZSA-N 348.328 3.761 0 50 EHAA Cc1ccn(-c2ccc(CNCc3ccc4cnn(C)c4c3)c(C)c2)n1 2325858672 WTPAOAVPIOHDTA-UHFFFAOYSA-N 345.450 3.666 0 50 EHAA O=C(CSCc1ccccc1)Nc1cc(Cl)ccc1C(=O)O 53047 JHKXBFYVBYLHAW-UHFFFAOYSA-N 335.812 3.910 0 50 EHAA O=C(c1cnn(-c2ccccc2)c1)c1cc(Br)ccc1O 57704 MPZOVJOEZZCBKJ-UHFFFAOYSA-N 343.180 3.571 0 50 EHAA O=C(NC[C@H]1CCCO1)c1cc(-c2cccs2)nc2ccccc12 200549 NBOMDAHLGNQWKT-CYBMUJFWSA-N 338.432 3.872 0 50 EHAA COC(=O)c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1 366346 OMAQQOAZJXMDDF-UHFFFAOYSA-N 325.147 3.999 0 50 EHAA Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c(O)c1 456894 HIRPBURQGTZESR-WEVVVXLNSA-N 346.839 3.880 0 50 EHAA O=C(/C=C/c1ccco1)Nc1ccc(C(=O)N2CCCCCC2)cc1 475501 JKWJPCPBZJIVPK-VAWYXSNFSA-N 338.407 3.948 0 50 EHAA Cc1cc(=O)oc2cc(NC(=S)N[C@H](C)c3ccncc3)ccc12 610957 WHJZTYRXVZTUPO-GFCCVEGCSA-N 339.420 3.544 0 50 EHAA CCCn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 4225253 MDYSZPHLVHPHLT-KRWDZBQOSA-N 333.435 3.962 0 50 EHAA CCOc1ccccc1[C@@H]1CC(=O)Nc2[nH]nc(-c3ccccc3)c21 5799693 RJTXLZKMWKGJMT-HNNXBMFYSA-N 333.391 3.950 0 50 EHAA O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 5898566 TUPRNILGGXSPCB-NSHDSACASA-N 349.217 3.985 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)NC1CCCCCC1 6825594 FWKQPEUFZMGIEZ-UHFFFAOYSA-N 326.487 3.852 0 50 EHAA CCC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C)c1 9230821 LYQFBZZUPZTGRD-CQSZACIVSA-N 326.396 3.750 0 50 EHAA Cc1noc(C)c1C(=O)N1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 12431542 YQTLZEIXXIGGDH-AWEZNQCLSA-N 346.814 3.680 0 50 EHAA O=C(CSc1ccccc1)Nc1ccc(C(=O)N2CCCC2)cc1 13327059 HIFBGQLODQWXBD-UHFFFAOYSA-N 340.448 3.653 0 50 EHAA COc1ccc(CCn2c(=S)[nH]c3sc(C)cc3c2=O)cc1 17068449 XLWMAEUWNVOYRP-UHFFFAOYSA-N 332.450 3.680 0 50 EHAA CC(C)(C)C(=O)N[C@@H](NC1CCCCC1)C(Cl)(Cl)Cl 19286819 XHOUYHOVQHYXQI-SNVBAGLBSA-N 329.699 3.767 0 50 EHAA c1ccc(-c2nc(CN3CCC(n4cc(C5CC5)nn4)CC3)co2)cc1 23429119 MZQGWONLLWXFNX-UHFFFAOYSA-N 349.438 3.648 0 50 EHAA Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2c(C)noc2C)cc1 64984259 NFGSJXRAESFNOY-KRWDZBQOSA-N 348.468 3.906 0 50 EHAA CC(C)c1cc([C@H]2CCCN2C(=O)NCc2ccc(F)cc2)on1 64985193 RGXQLHOPURYEIG-MRXNPFEDSA-N 331.391 3.984 0 50 EHAA CC(C)Oc1cccc(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)c1 67447399 LUUPUURBAZEQQR-UHFFFAOYSA-N 339.439 3.717 0 50 EHAA Cc1cccnc1[C@H](C)Nc1ncnc2sc(C(=O)O)c(C)c12 67514097 KGCGLFNTDNFGBS-JTQLQIEISA-N 328.397 3.574 0 50 EHAA Cc1cccc(C)c1CN1CCC[C@]2(CCN(C(=O)C(C)C)C2)C1 67514633 ZYXNZANMYVHLRT-NRFANRHFSA-N 328.500 3.774 0 50 EHAA Cc1cccnc1CN1CCO[C@@H](Cc2cccc3ccccc23)C1 71761365 SRHQRIOLGQRJOA-FQEVSTJZSA-N 332.447 3.987 0 50 EHAA CN(C)CC[C@@H](c1ccccc1)n1ccnc1-c1ccc(C(=O)O)cc1 77440098 CCSFKFKAOFOQGL-IBGZPJMESA-N 349.434 3.789 0 50 EHAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cc(C(C)C)nn1C 82107973 URJCSTIUFWVAPM-KRWDZBQOSA-N 328.460 3.942 0 50 EHAA CC1(C)C[C@H](NCc2cccc(OCc3ccccn3)c2)CCO1 160495730 TXKMFSZIFCYCLM-QGZVFWFLSA-N 326.440 3.708 0 50 EHAA O=C(O)CCCCCCNCc1ccc(F)cc1Br 170612896 RBEPAYREXJTULV-UHFFFAOYSA-N 332.213 3.713 0 50 EHAA Cc1cccc(COc2cccc(C(=O)N(C)C[C@H]3CCOC3)c2)c1 177327689 SKSGQAAEEYOZSH-GOSISDBHSA-N 339.435 3.683 0 50 EHAA Cc1c(NS(=O)(=O)c2cc(F)ccc2Cl)cccc1N(C)C 181155835 OYTOILIQCJQZOV-UHFFFAOYSA-N 342.823 3.654 0 50 EHAA CCOc1ccc2cc(C(=O)Nc3c(C)noc3C3CC3)[nH]c2c1 184076889 ZWELOGRVUYWSLK-UHFFFAOYSA-N 325.368 3.993 0 50 EHAA COCCc1ccccc1NC(=O)NC[C@H]1CCOc2ccccc21 189392120 UFEPQEQNXIDSLK-MRXNPFEDSA-N 340.423 3.563 0 50 EHAA Cc1ccc2cc(CNc3ccc(NC(=O)CN(C)C)cc3)ccc2n1 189396039 JMZMYWFOLIOJAT-UHFFFAOYSA-N 348.450 3.655 0 50 EHAA CCO[C@H](CNC(=O)Nc1ccc2c(c1)COC2)c1ccccc1 193731728 KOBJAIAWFQPTMV-GOSISDBHSA-N 326.396 3.616 0 50 EHAA Cc1ccc(CNCc2ccc(S(C)(=O)=O)c(C)c2)cc1Cl 195445840 PAEMZBTZLNZVTR-UHFFFAOYSA-N 337.872 3.650 0 50 EHAA Cc1nc(CCCNC(=O)c2cccc3ncccc23)sc1C 222446163 QVTOZMFIZNOGIX-UHFFFAOYSA-N 325.437 3.671 0 50 EHAA O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1cc2c(Cl)cccc2[nH]1 225421589 ZIAOWARRTKNEFG-FZKQIMNGSA-N 345.874 3.816 0 50 EHAA biogenic C[C@H](NC(=O)[C@H](CN)c1ccccc1)c1ccc(Cl)cc1Cl 237499339 ARUYYMKTPLOQMX-XHDPSFHLSA-N 337.250 3.913 0 50 EHAA C[C@H](C(=O)N[C@H]1C[C@H]1c1c(F)cccc1Cl)C1CCOCC1 252477236 KLBVQKAUTCDVBJ-NVBFEUDRSA-N 325.811 3.514 0 50 EHAA O=C(Nc1ccccc1-c1nnc[nH]1)[C@H]1C[C@]12CCCc1ccccc12 253418574 WQLOVMXAGFICCQ-UTKZUKDTSA-N 344.418 3.704 0 50 EHAA O=C(O)CC[C@H]1CCCCN1C(=O)Cc1csc2ccccc12 262274419 XFPBSOIVWKLSPA-CQSZACIVSA-N 331.437 3.690 0 50 EHAA CC(C)C[C@H](C(=O)Nc1n[nH]c(C2CCCCC2)n1)n1cccc1 263587541 IBUXFFSHLDMBLD-OAHLLOKOSA-N 329.448 3.880 0 50 EHAA CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)cc1O 277136629 GMMJJDLPLBLURR-LRDDRELGSA-N 349.818 3.539 0 50 EHAA FC(F)(F)c1ncc(CN2CC[C@]3(C2)OCc2ccccc23)s1 375734222 WCXVHPCIPRZZMS-OAHLLOKOSA-N 340.370 3.793 0 50 EHAA C[C@H](NC(=O)N(C)Cc1n[nH]c2c1CCCCC2)c1ccc(F)cc1 426530763 HLKQWZWBTNMCSJ-ZDUSSCGKSA-N 344.434 3.720 0 50 EHAA COc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1Cn1cccn1 639040539 KARQIBWPCDCOKC-INIZCTEOSA-N 336.439 3.528 0 50 EHAA CC(C)(C)N1CC[C@H](CNC(=O)Nc2ccccc2-c2ncco2)C1 889010055 XOJBGKIZMSWRHT-CQSZACIVSA-N 342.443 3.584 0 50 EHAA CC(C)[C@@H](NC(=O)Nc1nsc2ccccc12)c1cnn(C)c1 931850345 NXFNETVOODSZMC-CQSZACIVSA-N 329.429 3.549 0 50 EHAA O=C(NCCc1cc2ccccc2[nH]1)[C@@]1(c2ccccc2)CCCO1 934977926 YAOLTBPOUNAOKP-NRFANRHFSA-N 334.419 3.533 0 50 EHAA CC1(C)[C@H]2CC=C(CCNC(=O)/C=C/c3cc(CO)cs3)[C@@H]1C2 952970257 OOVPEFPAQAPYSL-KAWBWNIXSA-N 331.481 3.752 0 50 EHAA O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1cc2ccncc2s1 1141612221 FZZVDNFATCDSBK-CQSZACIVSA-N 346.839 3.803 0 50 EHAA COC(=O)c1ccc(-c2csc(-c3ccc(OC)c(OC)c3)n2)o1 1776002845 HNTWKEGAIBFNDI-UHFFFAOYSA-N 345.376 3.874 0 50 EHAA Cc1ccccc1C[C@H](CO)CN[C@@H](CC(C)C)c1ccccn1 2325742212 PBXCTHXLVRZONA-RXVVDRJESA-N 326.484 3.918 0 50 EHAA C[C@@H](CC1CCN(C(=O)Cc2ccc(C3CCC3)cc2)CC1)C(=O)O 2325880144 WTJXWOGDLMGCNE-HNNXBMFYSA-N 343.467 3.846 0 50 EHAA CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 456002 SMIKGZNPQUSOAV-UHFFFAOYSA-N 328.437 3.698 0 50 EHAA O=C(Nc1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 462877 ZPSAXOLPNUDKFO-UHFFFAOYSA-N 338.436 3.650 0 50 EHAA COc1cc(C=O)c(Br)cc1OCCc1ccccc1 463247 ZYTFSJAKRZEKSX-UHFFFAOYSA-N 335.197 3.892 0 50 EHAA O=C1C[C@H](c2ccco2)Cc2nc(N3CCc4ccccc4C3)ncc21 541721 KVTHVFBNISWLNO-MRXNPFEDSA-N 345.402 3.545 0 50 EHAA CC(C)C(=O)Nc1cccc(C(=O)NCc2ccccc2Cl)c1 609796 HSKLSKSFXWVUIK-UHFFFAOYSA-N 330.815 3.865 0 50 EHAA O=C(Nc1cccc(OC(=O)N2CCCCC2)c1)N1CCCCC1 912234 HYGNFPAUWYXTTD-UHFFFAOYSA-N 331.416 3.689 0 50 EHAA CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccncc1 1077016 IZEHQQMPYUUWNU-UHFFFAOYSA-N 338.436 3.643 0 50 EHAA O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccco1 1244905 SUNWRFCJTJOSRY-UHFFFAOYSA-N 335.772 3.616 0 50 EHAA COc1c(Cl)cc(Cl)cc1CN1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356158694 VVPHTQIBDVRIHM-WDNDVIMCSA-N 330.255 3.880 0 50 EHAA CCCCc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 6266808 VZBQFJKNNRKOOH-UHFFFAOYSA-N 346.452 3.653 0 50 EHAA Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 6709849 ORLGBRDDYWUNLH-UHFFFAOYSA-N 345.402 3.572 0 50 EHAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc3nc(S)oc3c2)C12CCC2 132592489 XVSQKNWXZXUTIU-HUUCEWRRSA-N 346.452 3.536 0 50 EHAA CC[C@@H](CO)N(Cc1ccc(-c2cc[nH]n2)o1)Cc1cccs1 55132699 ATHYGXMZNHSWPZ-ZDUSSCGKSA-N 331.441 3.504 0 50 EHAA Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)OC3)c1 10110155 XJVYOYJXNXHHSF-UHFFFAOYSA-N 331.437 3.647 0 50 EHAA CCCN(Cc1ccc(OC)cc1)C(=O)CCC1CCN(C)CC1 55405104 JMGRBZZVIAGDSW-UHFFFAOYSA-N 332.488 3.556 0 50 EHAA CCCOc1cccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c1 8565715 NZAUKVJEFUHFID-UHFFFAOYSA-N 326.396 3.710 0 50 EHAA CCOC(=O)C1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)CC1 10338044 CEKKFZXRBIRPSU-UHFFFAOYSA-N 345.483 3.718 0 50 EHAA COCO[C@@H]1C(=O)[C@@]2(/C=C/Oc3ccc(OC)cc3)CC[C@H]1C2(C)C 102319287 WLCRAQIVVPFKEX-MOUYGPBSSA-N 346.423 3.582 0 50 EHAA CCCn1cnc(NC(=O)c2ccc([C@@H]3CCCN3C(C)C)s2)n1 23619343 GYLAYTBFHCJJNM-ZDUSSCGKSA-N 347.488 3.547 0 50 EHAA Cc1nc(-c2ccccc2)sc1CN[C@H](C)C(=O)NC1CCCC1 65369950 OKLBNRYRLDEPOC-CQSZACIVSA-N 343.496 3.655 0 50 EHAA COc1ccc(OC)c([C@H]2CCN(Cc3ccc(Cl)nc3)C2)c1 67541466 CKBODNPDQSLNPE-AWEZNQCLSA-N 332.831 3.742 0 50 EHAA c1ccc2oc(C3CCN(CCCO[C@H]4CCCCO4)CC3)nc2c1 328586377 FVKDUSDTVPDZPM-IBGZPJMESA-N 344.455 3.941 0 50 EHAA Cc1ccc2nc(C)c(C(=O)N[C@H](Cn3ccnc3)C(C)C)cc2c1 63882227 AQWJIUXEYGIAIV-LJQANCHMSA-N 336.439 3.503 0 50 EHAA CC1(C)C[C@@H](c2ccccc2)N(C(=O)Nc2cccc(C(N)=O)c2)C1 424115853 WGJGSOOPWKLIEF-KRWDZBQOSA-N 337.423 3.791 0 50 EHAA COc1ccc(/C=C/CN2CCC(OCc3cccnc3)CC2)cc1 72167153 WFMNJCVVYSKFGC-HWKANZROSA-N 338.451 3.785 0 50 EHAA CCOCCN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 71315551 MJMWQHUKSLPMMR-UHFFFAOYSA-N 333.453 3.660 0 50 EHAA O=C1CCCc2c1[nH]c1cc(-n3ccnc3-c3ccncc3)ccc21 77437975 UIIJGOQEQGSQER-UHFFFAOYSA-N 328.375 3.935 0 50 EHAA O=C(Nc1ccc(Oc2cccnc2)cc1)N1CC[C@H](n2cccn2)C1 361833050 DSIDVTKDEDOUSS-INIZCTEOSA-N 349.394 3.549 0 50 EHAA Cc1nc(C(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)c(C)o1 77452259 DEDYOLFSRNRYES-GOSISDBHSA-N 341.455 3.720 0 50 EHAA CSc1ncc(CN2CCC3(CCc4ccccc43)CC2)cn1 216187726 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EHAA CSc1cccc(CN(C)c2nccc(-c3cn(C)nc3C)n2)c1 48241166 IHKSNNSIXPBODR-UHFFFAOYSA-N 339.468 3.544 0 50 EHAA O=C(NCC[C@@H]1CCCCO1)c1ccc2nc(-c3ccccc3)cn2c1 82156938 MSJFVYNBVGUFCZ-SFHVURJKSA-N 349.434 3.690 0 50 EHAA Cc1ccc(F)cc1-c1ccc(C(=O)N(C)C[C@H]2CCCNC2)cc1 426527964 PKILOBWJEPNBNY-INIZCTEOSA-N 340.442 3.873 0 50 EHAA CN(C(=O)Nc1ccc2c(c1)nnn2C)[C@@H]1CCCc2ccccc21 97823556 IQUOPKFZDXSGPD-QGZVFWFLSA-N 335.411 3.510 0 50 EHAA CC(C)c1cc(C(=O)N2CCC[C@H](COc3cccc(F)c3)C2)on1 91725837 QJHXGMHRYUFAOI-AWEZNQCLSA-N 346.402 3.868 0 50 EHAA C[C@H](c1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1)N1CCOCC1 426544723 KCSNQDZSLNBACK-OAHLLOKOSA-N 340.471 3.913 0 50 EHAA OC[C@]1(CC2CC2)CCCN(Cc2ccccc2OC(F)F)C1 91536658 IGEZMPUYYOVLNF-SFHVURJKSA-N 325.399 3.663 0 50 EHAA CC(C)n1ccnc1C1CCN(C(=O)Cc2ccc(F)cc2F)CC1 91793977 CZGNIWJSNFHJAY-UHFFFAOYSA-N 347.409 3.691 0 50 EHAA Cn1ccnc1-c1cn([C@H](Cc2ccccc2)c2ccccc2)nn1 91655873 UEGLGAGOOIMCMG-LJQANCHMSA-N 329.407 3.511 0 50 EHAA Cc1cc2cc(C(=O)N[C@H](C(=O)O)c3ccc(F)cc3F)ccc2o1 95520573 IDBJFALVVWQCNJ-INIZCTEOSA-N 345.301 3.575 0 50 EHAA c1ccc(CCn2nc(-c3ccncc3)nc2CC[C@H]2CCCO2)cc1 96162262 RLQVNCNZRIDBMU-LJQANCHMSA-N 348.450 3.694 0 50 EHAA O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(-c2ccnc3ccccc23)c1 534675300 KYTMPXVYGQTOQA-IYARVYRRSA-N 346.430 3.935 0 50 EHAA Cc1ccc(-c2nc(CN3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)co2)cc1 299741404 FRUVONBODMJEOH-JQHSSLGASA-N 340.423 3.868 0 50 EHAA Fc1ccc(N2CCC(NCc3cc(C4CC4)on3)CC2)cc1F 534644706 JCGXQKAIRWWDBD-UHFFFAOYSA-N 333.382 3.589 0 50 EHAA O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@@H]1Cn1cccn1 299761871 BCGYQQZOVDJXNC-GFCCVEGCSA-N 339.226 3.886 0 50 EHAA CCc1noc(C)c1C(=O)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 299791412 FHLDBEPHSKQXSG-HNNXBMFYSA-N 342.374 3.538 0 50 EHAA Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1onc2c1CCCC2 825205230 YHTANFSHLNURAM-MRXNPFEDSA-N 340.423 3.894 0 50 EHAA Cc1ccc(N2CCC(NCCc3nc4ccccc4[nH]3)CC2)cc1 952974263 TXTVMQYPZZANNX-UHFFFAOYSA-N 334.467 3.672 0 50 EHAA C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cccnc1 185062828 OLNGGBVAARWZIS-CQSZACIVSA-N 349.434 3.513 0 50 EHAA N#Cc1ccccc1CN1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 222220341 GQVDGYSUDZWFSU-KNQAVFIVSA-N 331.463 3.655 0 50 EHAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)o1 1875359874 RWUJDPTXSUVCTB-UHFFFAOYSA-N 325.695 3.753 0 50 EHAA Cc1ccc(NC(=O)c2cc(F)c(F)cc2Br)cc1O 162693851 CVWQWUAGKHFXHQ-UHFFFAOYSA-N 342.139 3.994 0 50 EHAA CCOc1cc(C)c(CN(CCO)Cc2cnc(C)[nH]2)cc1C(C)C 1772704524 NLSBMPWGOAIYEF-UHFFFAOYSA-N 345.487 3.543 0 50 EHAA Cc1ccc(CNC(=O)Cn2cccc2C(=O)c2ccccc2C)cc1 5142846 FKKZJNNFLBZLOQ-UHFFFAOYSA-N 346.430 3.652 0 50 EHAA O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 5898561 TUPRNILGGXSPCB-LLVKDONJSA-N 349.217 3.985 0 50 EHAA Cc1noc(C2CC2)c1NS(=O)(=O)c1c(Cl)ccc(F)c1F 252495262 OORWSMMUCGVYJC-UHFFFAOYSA-N 348.758 3.593 0 50 EHAA CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1ccnc(-n2ccnc2)c1 817703131 MMTSHAQTNZHMPN-SFHVURJKSA-N 346.434 3.676 0 50 EHAA Cc1nc(C[C@@H]2CCCN(C(=O)c3ccccc3C3(C)CC3)C2)no1 931897505 REJZWBFARDNJQQ-HNNXBMFYSA-N 339.439 3.524 0 50 EHAA O=C(Nc1ccc(Oc2ccncc2)cc1)[C@@H]1Cc2ccncc2C1 1875253308 GPMVIHCBKXFNRQ-OAHLLOKOSA-N 331.375 3.622 0 50 EHAA COc1ccccc1[C@H](NC(=O)Cc1ccccc1CO)C(C)(C)C 1875263876 HFQIYOOZGJTDNS-FQEVSTJZSA-N 341.451 3.634 0 50 EHAA CC(C)c1cc(C(=O)N[C@@H](CCO)C(C)(C)C)nn1-c1ccccc1 1875357656 PWKOIMUJJNRRKS-SFHVURJKSA-N 343.471 3.523 0 50 EHAA C=CC(=O)N(Cc1ccc(F)cn1)c1cnn(C2CCCC2)c1C 1875374245 GYUDXSAVORLCBH-UHFFFAOYSA-N 328.391 3.560 0 50 EHAA Cc1cc(F)cc(Cl)c1NC(=O)Cc1cnn(-c2ccccc2)n1 1875313315 OMUKNDHAOVBCCI-UHFFFAOYSA-N 344.777 3.549 0 50 EHAA COC(=O)c1ccccc1NC(=O)c1cc2ccccc2cc1OC 3451439 JAILKUBDKLZDBW-UHFFFAOYSA-N 335.359 3.887 0 50 EHAA O=c1cc(NNc2ccc(Br)cc2)c2ccccc2o1 2080385444 IXJHAJUXFFWTNS-UHFFFAOYSA-N 331.169 3.995 0 50 EHAA Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1cccc(Cl)c1 74342 UKTKKTVGDZERNW-UHFFFAOYSA-N 336.782 3.533 0 50 EHAA CC[C@@H](O)c1nc2ccccc2n1CCCOc1ccccc1OC 8843358 MNRGDDLXTIJMQR-QGZVFWFLSA-N 340.423 3.957 0 50 EHAA COc1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)nc1 2325737064 RUXBGVGQGHDADT-UHFFFAOYSA-N 344.374 3.657 0 50 EHAA Cc1cncc(CCC(=O)OCc2ccc3nc(C)sc3c2)c1 842855510 NZDWUEVMVCGRSM-UHFFFAOYSA-N 326.421 3.984 0 50 EHAA Clc1cc(Cn2cc(CN3CCCC3)nn2)c2ccccc2c1 2325855659 KGXYMPUNBJXQJO-UHFFFAOYSA-N 326.831 3.729 0 50 EHAA C[C@@H]1CC[C@H]2CN=C(N[C@H](C)c3ccc(Br)cc3)N2C1 2325863210 AFHNGAKCZKEJJE-JMSVASOKSA-N 336.277 3.570 0 50 EHAA O=C(CSc1nnc2sc3ccccc3n12)c1ccccc1 390124 FVWMTTZWTYQKQR-UHFFFAOYSA-N 325.418 3.919 0 50 EHAA Cc1ccc(-n2nc(C(=O)N3CCCCC3)nc2-c2ccccc2)cc1 480009 LXLYULNQOHLHKT-UHFFFAOYSA-N 346.434 3.869 0 50 EHAA O=S(=O)(Nc1ccc2c(c1)ncn2-c1ccccc1)c1ccccc1 548672 LRAYYEFZEUGCEE-UHFFFAOYSA-N 349.415 3.826 0 50 EHAA CC(=O)OC[C@@]12CC=C(C)[C@@H](C1)[C@H](c1ccc(OC(C)=O)cc1)OC2 1195691 MMBDAOJDOBHUNE-HSALFYBXSA-N 344.407 3.589 0 50 EHAA COc1ccc(OC)c(NC(=O)CCCOc2ccccc2C)c1 1772481 VCRLABWMULFFLN-UHFFFAOYSA-N 329.396 3.810 0 50 EHAA O=C(N[C@@H]1C=C[C@@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 4284293 IWMUNNGMJRKNSV-ZIAGYGMSSA-N 349.386 3.554 0 50 EHAA COc1ccc(CCNC(=O)CCc2cccc(OC)c2Cl)cc1 4542842 YCCSGXZJDPOUJB-UHFFFAOYSA-N 347.842 3.649 0 50 EHAA COc1ccc(OC)c(NC(=S)NCc2ccccc2Cl)c1 4682528 KNBYTFBFPRCPHM-UHFFFAOYSA-N 336.844 3.844 0 50 EHAA O=C(O)C[C@@H](NC(=O)CCCc1ccccc1)c1ccc(Cl)cc1 4689765 IVGXJSCHQKQFOR-QGZVFWFLSA-N 345.826 3.995 0 50 EHAA Cc1cc(Cl)cc(Br)c1OCCNC[C@H]1CCCO1 4870153 DQOZTKHUZLYITD-GFCCVEGCSA-N 348.668 3.558 0 50 EHAA Cc1cc(Cl)ccc1OCCCn1cnc2ccccc2c1=O 5065467 ZUFZKVDEAQKQOA-UHFFFAOYSA-N 328.799 3.827 0 50 EHAA Cc1ccc(-c2c(C)nn3c(NC[C@@H]4CCCO4)cc(C)nc23)cc1 5321494 LHVBCDKTGRGHNP-KRWDZBQOSA-N 336.439 3.912 0 50 EHAA CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(C)=O)cc1 6703815 RVBCAWXXHVMCQC-KRWDZBQOSA-N 326.396 3.750 0 50 EHAA COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(SC)c1 6706899 AFPSFKPXAWYTAY-UHFFFAOYSA-N 343.857 3.871 0 50 EHAA CC1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2F)CC1 6729797 NAJGRCVAJTVWFO-UHFFFAOYSA-N 340.398 3.950 0 50 EHAA COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)CCC3 12408927 VHQUHUUIASMSCF-UHFFFAOYSA-N 341.798 3.715 0 50 EHAA COC[C@@H]1CCCCN1Cc1nc(-c2ccc(F)cc2F)oc1C 12705581 UHXPCWDWFOSRKV-AWEZNQCLSA-N 336.382 3.929 0 50 EHAA CCOC(=O)C1CCN(C(=S)Nc2ccc(Cl)cc2C)CC1 13497525 ZSDGGKVBLRDUTK-UHFFFAOYSA-N 340.876 3.620 0 50 EHAA c1ccc(C(C[C@@H]2CN(Cc3ncc[nH]3)CCO2)c2ccccc2)cc1 15063189 XZUGBJKSPPHOPO-HXUWFJFHSA-N 347.462 3.833 0 50 EHAA C[C@H](Sc1ccc2ccccc2n1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 16648283 IOXSCFWBCMCDRC-NSHDSACASA-N 349.415 3.768 0 50 EHAA CC(C)c1cccc(C(C)C)c1OCCOCCN1CCN(C)CC1 19792390 AEPBEZWBQXDKOS-UHFFFAOYSA-N 348.531 3.576 0 50 EHAA Cc1nn(C)c(C)c1-c1ccnc(NCCSC2CCCCC2)n1 20542560 PBKIQILMLLAEGT-UHFFFAOYSA-N 345.516 3.972 0 50 EHAA COc1ccc(-c2nn3c(NC(C)C)cc(C)nc3c2C)cc1OC 23118912 KDRVQUQFGBDOHF-UHFFFAOYSA-N 340.427 3.851 0 50 EHAA Fc1ccc(-c2noc3c2CN(Cc2nccs2)CC3)cc1F 23366489 VVNDEXYQZVUFEK-UHFFFAOYSA-N 333.363 3.635 0 50 EHAA Cc1n[nH]c(-c2ccc(NC(=O)c3cc(-c4ccccc4)no3)cc2)n1 50896116 POSHWPTZWPXRHU-UHFFFAOYSA-N 345.362 3.687 0 50 EHAA Cc1nnc(SCCCNC(=O)c2c(C)c(C)cc(C)c2C)s1 55371458 YGBGVTPZKMFSAZ-UHFFFAOYSA-N 349.525 3.992 0 50 EHAA C/C(=C\c1ccco1)[C@@H]1CC(=O)Nc2c1c(-c1cccnc1)nn2C 65395690 SNWXHTXXLYGXCH-RZXPCSSPSA-N 334.379 3.604 0 50 EHAA CCn1cc(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c(C)n1 65426363 DCBPNIIUCQROIN-FCHUYYIVSA-N 349.478 3.715 0 50 EHAA CSc1nccc(-c2cc(O)cc(CC[C@H]3CCCCN3)c2)n1 71614389 GGRACHRBAPPZOF-OAHLLOKOSA-N 329.469 3.646 0 50 EHAA Clc1ccc([C@@H]2CN(CCCn3cccn3)CCO2)cc1Cl 71751909 PNAKIIJGAGLCNA-INIZCTEOSA-N 340.254 3.654 0 50 EHAA CN1C(=O)C2(CCN(Cc3cc4ccccc4o3)CC2)c2ccccc21 72151670 DRMKNYSCFCBVKK-UHFFFAOYSA-N 346.430 3.943 0 50 EHAA Fc1cc(F)cc([C@H]2CN(CC3CCC3)[C@@H]3C4CCN(CC4)[C@H]23)c1 72162172 YXQDXKRIMAZDKK-VAMGGRTRSA-N 332.438 3.627 0 50 EHAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCC[C@H]1c1ccccn1 72480848 IUCZHBIAMJVPHP-KRWDZBQOSA-N 332.407 3.757 0 50 EHAA COc1c(F)cc(CN2CCC([C@@H](O)CC(C)C)CC2)cc1F 77436295 DJXHAIVFODAQSC-KRWDZBQOSA-N 327.415 3.592 0 50 EHAA CCCc1noc([C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1 91270227 JUNYSKWWUHWOCX-ZDUSSCGKSA-N 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336.391 3.960 0 50 EHAA COCCN(Cc1ccccn1)C(=O)N[C@H](c1ccccc1)C(C)C 79914553 YEQIHEKIALNVEN-IBGZPJMESA-N 341.455 3.637 0 50 EHAA CCc1oc(C(=O)Nc2cccc(N3CCOC3=O)c2C)cc1C 121061707 SKWMMEHOKBGABE-UHFFFAOYSA-N 328.368 3.668 0 50 EHAA Cc1c(COc2ccccc2)cccc1NS(=O)(=O)c1ccco1 437670647 RJCBJMQFUXAAQY-UHFFFAOYSA-N 343.404 3.968 0 50 EHAA CSc1c(F)cc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1F 125265841 BZCORCWAHVABJB-QMTHXVAHSA-N 342.411 3.766 0 50 EHAA CCOC(=O)c1cc(F)c(Br)c(Br)c1 36532936 QQHFPRFYZUWPON-UHFFFAOYSA-N 325.959 3.527 0 50 EHAA CC1CCN(CCCc2noc([C@H](C)Sc3ccccn3)n2)CC1 127079819 QXAXNJOWVUFKTQ-HNNXBMFYSA-N 346.500 3.982 0 50 EHAA CCS[C@]1(CCC(=O)OC)C(C)=C(C)C(=O)N1Cc1ccccc1 15746357 JBCUSBXVRZEKFM-LJQANCHMSA-N 347.480 3.768 0 50 EHAA COc1ccc(-n2ccnc2-c2ccc([C@@H]3CCCO3)s2)cn1 72137248 CRLPHIILDJCRRY-ZDUSSCGKSA-N 327.409 3.856 0 50 EHAA Cc1cc(C)c(NC(=O)CN(C)C(=O)C2=CCCCCC2)c(C)c1 128433903 QCTGIXSWUVOKDQ-UHFFFAOYSA-N 328.456 3.899 0 50 EHAA Cc1cccc([C@H](C)NC(=O)N2CCO[C@@H](c3ccco3)C2)c1C 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3.794 0 50 EHAA CCC[B@-]1(O)c2ccccc2NC(c2ccccc2)=[N+]1c1ccccc1 245296735 PJBYYNCZDFQKRD-QHCPKHFHSA-N 342.251 3.955 0 50 EHAA Cc1cc(C(F)F)n2ncc(C(=O)N3Cc4ccccc4[C@@H]3C)c2n1 1339086585 SRQMLJSTYASMBO-NSHDSACASA-N 342.349 3.692 0 50 EHAA CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@H]1CCCc2cccnc21 277844610 KZPJCNHUWNJDIN-AZOIQLNYSA-N 342.414 3.533 0 50 EHAA O=C(O)[C@@H](c1ccsc1)N1CCC[C@H](c2nc3ccccc3o2)C1 652386874 POBBMJWAUTZISG-BLLLJJGKSA-N 342.420 3.895 0 50 EHAA CCc1cc(NC(=O)N[C@@H]2CCO[C@H](c3cccnc3)C2)ccc1C 652842238 UGNDPNCNFJXGGK-MOPGFXCFSA-N 339.439 3.994 0 50 EHAA Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccncc3Cl)C2)c1 1506429653 SRTUOWLXLPEUOH-HNNXBMFYSA-N 344.842 3.975 0 50 EHAA CC(=O)c1ccc(N2CCOCC2)c(-c2cc(C)c(O)cc2F)c1 1772711757 WRDXKPNMXRCSRF-UHFFFAOYSA-N 329.371 3.546 0 50 EHAA Cc1ccc(NC2(C(=O)N3CCC[C@H]3C3(O)CC3)CCCCC2)cc1 1772806596 BTWMJZQTUKQQQA-SFHVURJKSA-N 342.483 3.626 0 50 EHAA C[C@H]1C[C@@H]1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 5881401 RNKKSIVKJCYTKH-UWJYYQICSA-N 349.474 3.817 0 50 EHAA Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)C1=CCCC1)C2 12035887 OMGNYDXVGLIGMQ-KRWDZBQOSA-N 334.419 3.587 0 50 EHAA OC[C@]1(CCc2ccccc2)CCCN(Cc2nc3ccccc3[nH]2)C1 12430707 QJDUUXGWTNTAGY-QFIPXVFZSA-N 349.478 3.770 0 50 EHAA CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1 12455949 OSBFFMUXOBLBHD-HXUWFJFHSA-N 347.418 3.784 0 50 EHAA Cc1ccccc1CNC(=O)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 12763766 LHFGJVOPDKDQJL-GOSISDBHSA-N 342.483 3.573 0 50 EHAA O=C(Nc1cccc(-c2nnc3n2CCCC3)c1)c1ccccc1F 169755509 QRVJJIKKJIKNPH-UHFFFAOYSA-N 336.370 3.673 0 50 EHAA C/C(=C\c1ccccc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 435873 IRJYZNRUYRMIRE-CCEZHUSRSA-N 347.418 3.526 0 50 EHAA O[C@H]1C[C@@H](CCn2ccnc2-c2nc(-c3ccc(F)cc3)cs2)C1 1857705538 LLHDRNDPZJOPTO-JNSHFYNHSA-N 343.427 3.974 0 50 EHAA O=C(c1ccoc1)N1CCC(c2nc(C3CCCCC3)no2)CC1 109528660 LSQKKYICMAJQIM-UHFFFAOYSA-N 329.400 3.730 0 50 EHAA CN(Cc1ccc([S@](C)=O)cc1)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 245339133 QSQJWJZPLVPQTN-RHGYRFJNSA-N 348.512 3.534 0 50 EHAA COc1cc(C(=O)N2CCC(Oc3ccccc3)CC2)ccc1F 150812401 HEYVNABNTBITFV-UHFFFAOYSA-N 329.371 3.518 0 50 EHAA Cc1cc(NC(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)no1 266390245 ZUPVWPYGRMNBTG-ZDUSSCGKSA-N 348.834 3.547 0 50 EHAA O=C(O)C[C@H](c1ccccc1)C1CCN(Cc2cccc(O)c2)CC1 901599447 LSXPMEIWRNEVOT-HXUWFJFHSA-N 339.435 3.863 0 50 EHAA O[C@H]1CCOc2c(NCc3cccc(OC4CC4)c3F)cccc21 850248263 LEFWQZPPGKUZJO-INIZCTEOSA-N 329.371 3.795 0 50 EHAA Fc1cc(Cl)ccc1N1CC[C@H](N[C@H]2CCC23CCOCC3)C1 858547168 DSOXLDXTQPLTLV-YOEHRIQHSA-N 338.854 3.607 0 50 EHAA C[C@@H]1[C@@H](NC(=O)c2ccccc2Cl)CCCN1Cc1ccccn1 1875302960 PJCYKCPYWLAZQP-KDOFPFPSSA-N 343.858 3.518 0 50 EHAA Cc1cc(OS(=O)(=O)C[C@H]2CCC[C@H](C)C2)c(C=O)cc1Cl 1875386927 FOCHWVATZIQCDN-AAEUAGOBSA-N 344.860 3.996 0 50 EHAA CC1(C)C[C@]1(CNC1CCC2(CC1)C[C@H]2C(=O)O)c1ccccc1 1875404402 HTFFDDVUHCNYEC-BLVDZXQRSA-N 327.468 3.977 0 50 EHAA O=C(C[C@@H]1CCC2(CCC2)O1)Nc1ccnc(N2CCCCC2)c1 888577406 DFOVHWMXUBBKRK-INIZCTEOSA-N 329.444 3.502 0 50 EHAA CCc1ccc(-c2cc(NS(=O)(=O)c3ccccc3)on2)cc1 1776006605 XYXCLLIBDSLBJQ-UHFFFAOYSA-N 328.393 3.705 0 50 EHAA Clc1ccc(-c2nn(Cc3ccccc3)c3c2CCNCC3)cc1 38305462 UKJPMZGILXATGT-UHFFFAOYSA-N 337.854 3.940 0 50 EHAA in-vitro O=C(Nc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)nc1)C1CCC1 2325822647 GJOGAILOCKZRPX-HZPDHXFCSA-N 327.428 3.585 0 50 EHAA C[C@@H](Cc1cn(C)c2ccccc12)NCc1ccc2nccnc2c1 2325859955 REBRSNFAQWIINK-HNNXBMFYSA-N 330.435 3.842 0 50 EHAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2c1CCNC2 2325872051 GEZNBGRENJYVQP-UHFFFAOYSA-N 333.391 3.548 0 50 EHAA O=C(O)[C@H]1Cc2ccccc2N(C(=O)CCC23CCC(CC2)C3)C1 2325874482 NYAZJCBPOSDIMB-FXUPRZHBSA-N 327.424 3.637 0 50 EHAA O=C(O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 146731 UNEWDNFSEHCUCG-UHFFFAOYSA-N 330.723 3.577 0 50 EHAA CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 271358 VRSPIRMXMZIGRR-UHFFFAOYSA-N 340.423 3.563 0 50 EHAA CN(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 288034 USYVCQBBROOYTE-UHFFFAOYSA-N 345.251 3.860 0 50 EHAA CCc1nc2ccccc2n1C[C@H](O)COc1ccccc1Cl 307147 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CO[C@@H](C(=O)NCCSc1ccc(Cl)cc1)c1ccccc1 6145489 DZKKHCNFJMUQBC-MRXNPFEDSA-N 335.856 3.936 0 50 EHAA O=c1cc(CSc2nc3ccccc3o2)[nH]c2nc3ccccc3n12 9356396 PNNTWFUHOPXOPZ-UHFFFAOYSA-N 348.387 3.609 0 50 EHAA O=C(CSc1ccc2ccccc2n1)Nc1cccc(C(=O)O)c1 11907375 PCGRJKKBNUSIDZ-UHFFFAOYSA-N 338.388 3.664 0 50 EHAA CCCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)cs1 13746172 PDVVHALZILITPA-UHFFFAOYSA-N 332.444 3.802 0 50 EHAA O=c1[nH]c(CNc2ccc(F)cc2)nc2sc3c(c12)CCCC3 17991508 GKMNNWKKADTBGL-UHFFFAOYSA-N 329.400 3.615 0 50 EHAA NCC[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2F)C1 20232546 YCNGQMZONLIEOK-HNNXBMFYSA-N 326.415 3.694 0 50 EHAA C[C@H](NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C)c1ccccc1 33088806 GJHDMLFTJTXVIE-KGLIPLIRSA-N 332.403 3.610 0 50 EHAA CCC(=O)Nc1ccc(C)c(NC(=O)CCc2c(C)noc2C)c1 46679413 PDQAHTGVZCDSAQ-UHFFFAOYSA-N 329.400 3.520 0 50 EHAA COCCN(Cc1ccccn1)C(=O)Nc1cccc2c1CCCC2 47337429 WMHWKYDSLSNQDY-UHFFFAOYSA-N 339.439 3.641 0 50 EHAA O=C(NCCc1ccccc1F)c1ccc(NC(=O)C2CCC2)cc1 55154391 LGQPXVZWTMOVKY-UHFFFAOYSA-N 340.398 3.537 0 50 EHAA CC(C)C[C@H](O)C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 55357903 KWQYMFMBKFHONV-IBGZPJMESA-N 345.462 3.835 0 50 EHAA CCc1cnc(C)nc1NCc1cccnc1Oc1ccc(C)nc1 67689190 FCCDLROGHPYTHP-UHFFFAOYSA-N 335.411 3.850 0 50 EHAA COc1ccc([C@H](NC(=O)Cc2cccs2)c2ccncc2)cc1 67818533 LEGXABCJSJLCSI-IBGZPJMESA-N 338.432 3.600 0 50 EHAA CCc1nc(N[C@H](CC(C)(C)C)c2cccnc2)c2cnn(C)c2n1 72121831 VQVKYXPYQRQRAM-OAHLLOKOSA-N 338.459 3.910 0 50 EHAA Cc1cc(C)n(C[C@@H](C)NC(=O)CCCc2c[nH]c3ccccc23)n1 79691789 DNFMROAILIMAKM-OAHLLOKOSA-N 338.455 3.509 0 50 EHAA CC[C@@H]1c2cccn2CCN1C(=O)c1cnc(C)nc1-c1ccccc1 82092067 DSBJJTNFTVVPGZ-GOSISDBHSA-N 346.434 3.861 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)N1CCC(Nc2ccccn2)CC1 91586831 VPAIRXWOXBDCHG-KRWDZBQOSA-N 335.451 3.605 0 50 EHAA C[C@H](O)c1cccc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 95510749 GIRNFYUXBMVXON-ZDUSSCGKSA-N 332.831 3.836 0 50 EHAA c1ccc(O[C@H](CN2CCC3(CC2)OCCO3)c2ccccc2)cc1 96027160 YJLZPVREJZWXBF-HXUWFJFHSA-N 339.435 3.646 0 50 EHAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCC[C@@H]1c1cccnc1 97474998 MTBXPRPPAHNDAA-LJQANCHMSA-N 332.407 3.839 0 50 EHAA c1ccc([C@H]2CN(Cc3cc(CN4CCCC4)cs3)CCO2)cc1 97775488 RJYOPNWYXOGEJW-HXUWFJFHSA-N 342.508 3.917 0 50 EHAA CSc1cccc(N(C(=O)C2CC=CC2)C2CCN(C)CC2)c1 119861954 QQYPCJLRKWTHMK-UHFFFAOYSA-N 330.497 3.802 0 50 EHAA C[C@H]1CCC[C@@H](C)N(C(=O)c2ccc(-c3nnc(S)o3)cc2)C1 124359328 FLJIWVIZLHUJMY-NWDGAFQWSA-N 331.441 3.676 0 50 EHAA CC1(C)CC[C@H](CNC(=O)Nc2ccc(OC3CCC3)c(F)c2)O1 189079462 CNOUYAFQALZWNK-CQSZACIVSA-N 336.407 3.836 0 50 EHAA OCC1(CN2CCCC2)CCN(Cc2ccc3ccccc3c2)CC1 223338857 OUAGKTIWHKDTKE-UHFFFAOYSA-N 338.495 3.510 0 50 EHAA C[C@@H](NC(=O)NCC1=CCN(C)CC1)c1cc2ccccc2s1 242147470 WSCSVXJLNLCJNQ-CYBMUJFWSA-N 329.469 3.523 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 257356312 HHUZGDMRRLQZIQ-RDTFPYQOSA-N 334.500 3.566 0 50 EHAA C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N[C@H]1CCCc2sccc21 332824584 HHEVAUIODGETBK-YLVFBTJISA-N 328.437 3.947 0 50 EHAA 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aggregator Fc1ccc(N[C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)cc1 12575571 NNVICDMGILPLAX-GOSISDBHSA-N 342.414 3.673 0 50 EHAA COc1cc(NC(=O)CN(C)C2CCCCC2)c(OC)cc1Cl 13323073 VIDADYOQOPRPDC-UHFFFAOYSA-N 340.851 3.560 0 50 EHAA Cc1ccc2cc(CN(CC(C)C)C(=O)c3ccncc3)c(=O)[nH]c2c1 13814056 OMPPJTZJJLSIKF-UHFFFAOYSA-N 349.434 3.530 0 50 EHAA CCn1ncc(CNC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1C 17921032 ZLMVVLNOUWHCBG-LGMBCPCJSA-N 329.488 3.824 0 50 EHAA CCc1csc(CCNc2ccc(-c3nc(C4CC4)no3)cn2)n1 19839605 YQJBXILYWBIMIQ-UHFFFAOYSA-N 341.440 3.683 0 50 EHAA Cc1noc(C)c1S(=O)(=O)N1CCCCC[C@H]1c1cccs1 35561594 OOWTWEUSQDXFTG-ZDUSSCGKSA-N 340.470 3.659 0 50 EHAA CC(=O)c1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)s1 46501646 AUYFIBLYXDBMNR-HNNXBMFYSA-N 345.420 3.761 0 50 EHAA COCCN(Cc1sccc1C)Cc1cccn1-c1ccccn1 55119723 RVRRCUCOHOPYFA-UHFFFAOYSA-N 341.480 3.891 0 50 EHAA Cc1ccc2nc(C)c(C(=O)N(C)CCC[C@@H]3CCCO3)cc2c1 55414619 GREQLSVNMYIYCB-QGZVFWFLSA-N 326.440 3.883 0 50 EHAA Cc1ccccc1-c1ncc(CN2CCC[C@H]2Cn2cccn2)s1 65430389 ICBOPLNRQVBPIT-INIZCTEOSA-N 338.480 3.980 0 50 EHAA c1csc(-c2[nH]ncc2CNC2CCC3(CCNCC3)CC2)c1 67820349 SSHDREVZJJPQGT-UHFFFAOYSA-N 330.501 3.540 0 50 EHAA Cc1cc2nc(-c3ccccc3)cc(N[C@H](C)Cc3cnccn3)n2n1 72457921 HDNIGGBQNSMVKI-CQSZACIVSA-N 344.422 3.538 0 50 EHAA Cc1nc([C@H](C)N(C)S(=O)(=O)c2sccc2C)c(C)s1 77358342 RLPYEBUIYLXSBU-VIFPVBQESA-N 330.500 3.512 0 50 EHAA O=C(c1ccccc1Cl)N1CCC[C@@H](c2nccn2CC2CC2)C1 95508322 IICMGJBNOJQNMB-OAHLLOKOSA-N 343.858 3.966 0 50 EHAA CN(C)[C@H]1Cc2ccccc2N(C(=O)CCCc2cccs2)C1 109113627 AASYLVUYURZFRA-INIZCTEOSA-N 328.481 3.590 0 50 EHAA COc1ccc2nc(C(=O)N3CCc4ccc(F)cc4C3)ccc2c1 121635668 JYVQKDBZCVQCHS-UHFFFAOYSA-N 336.366 3.581 0 50 EHAA Cc1ccccc1OC(=O)Cc1c(C)nn(CC(F)(F)F)c1C 133684626 SBKYFZLNLMLQSZ-UHFFFAOYSA-N 326.318 3.519 0 50 EHAA COCCOc1ccc(NC(=O)Nc2cc(CC(C)(C)C)[nH]n2)cc1 170609683 ZKSJPYJBCOHNPY-UHFFFAOYSA-N 346.431 3.668 0 50 EHAA C[S@@](=O)c1ccc(NC(=O)N2CCC(c3ccsc3)CC2)cc1 187199205 UHTOUPRNHPQSAA-HSZRJFAPSA-N 348.493 3.897 0 50 EHAA Cc1csc2[nH]c(/C=C/c3cncc(Br)c3)nc(=O)c12 187652975 DOCYHCYJUASVHE-NSCUHMNNSA-N 348.225 3.621 0 50 EHAA Cc1cccnc1C(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 209935567 DTQBZBNJHNMJNG-UXHICEINSA-N 346.430 3.534 0 50 EHAA C[C@H]1C[C@@H](c2cccnc2)N(Cc2cn3cc(Cl)ccc3n2)C1 225603512 ANERHEYPLKFHOA-GUYCJALGSA-N 326.831 3.966 0 50 EHAA CCCCc1cc(NC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)[nH]n1 225625595 XOVVRADAJOWNTE-UHFFFAOYSA-N 339.443 3.836 0 50 EHAA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@H]1CCCO1 244719167 LYDVQVPIQPPGQF-DDTOSNHZSA-N 346.254 3.835 0 50 EHAA O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1cc[nH]n1 253401636 FTCXECOZUJBATR-AWEZNQCLSA-N 328.803 3.677 0 50 EHAA O=C(Nc1ccc(Cl)cn1)[C@@H](Cc1ccccc1)n1cccc1 253412033 PRSSDSCQVHUZQU-MRXNPFEDSA-N 325.799 3.959 0 50 EHAA C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(Cc2cccnc2)c2ccc(F)cc2)O1 282116129 KEBRAQIDJZSSFN-LBTNJELSSA-N 328.387 3.567 0 50 EHAA CO[C@](C)(c1nc(-c2ccc(Oc3ncccn3)cc2)no1)C1CC1 291072660 LZHXPVMMQNCYFQ-SFHVURJKSA-N 338.367 3.591 0 50 EHAA O=C(NCc1ccsc1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299760196 OWEBQYHEYQCCOM-KSZLIROESA-N 326.465 3.590 0 50 EHAA CC(C)c1cc(C(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)n(C)n1 409415074 SOLYLLRKLOTBQZ-INIZCTEOSA-N 336.439 3.832 0 50 EHAA C[C@@H]1CCC[C@@H](CNC(=O)NCc2cccc(-c3ccccn3)c2)O1 664501627 QKYOONZNJJLVCX-QAPCUYQASA-N 339.439 3.505 0 50 EHAA COc1cccc([C@H]2CCN(C(=O)NC3CCCCC3)C2)c1OC 824521402 UZROPIUZCVLJDN-AWEZNQCLSA-N 332.444 3.535 0 50 EHAA Cc1ccc(S(=O)(=O)N[C@H](CC(C)(C)C)c2cccnc2)s1 825199797 QZZCQEBHDREWJZ-CQSZACIVSA-N 338.498 3.907 0 50 EHAA CC1(C)CN(c2cnc(F)cn2)[C@H]1c1nccn1-c1cccc(F)c1 952894253 MODVJSYJBOZJMX-INIZCTEOSA-N 341.365 3.528 0 50 EHAA COc1cc(CN[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)ccc1F 952971190 RTWUFRUWRRKUAX-JSMJAWQLSA-N 333.447 3.644 0 50 EHAA CCn1ncnc1[C@@H](C)NC1CCN(c2ccc(C)c(Cl)c2)CC1 1506403650 SZPHONGAXOMJKR-CQSZACIVSA-N 347.894 3.579 0 50 EHAA Cc1cccc(N2CCC(N3CCC(C4CCNCC4)CC3)CC2)c1 1857675362 UZAAHWTWDKRZKI-UHFFFAOYSA-N 341.543 3.675 0 50 EHAA Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H]3CC[C@H]4C[C@@H]43)c12 1875264811 ILNGCVLNXOAMHA-OFQRWUPVSA-N 333.391 3.727 0 50 EHAA CO[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1(C)C 1875298955 TVPBWFCUNDFLCB-WFASDCNBSA-N 347.846 3.521 0 50 EHAA CN(Cc1ccc(-c2nc3ccccc3s2)o1)C[C@@H]1CCNC1 2325783594 KLMYXHBWHXPBIG-CYBMUJFWSA-N 327.453 3.598 0 50 EHAA Cc1cc(NC(=O)N2CC(C3=NOC(C)(C)C3)C2)ccc1OC(C)C 2325786512 SNBJOUDWLSOTBY-UHFFFAOYSA-N 345.443 3.801 0 50 EHAA Brc1ccc(C2CN(Cc3cccn4ccnc34)C2)cc1 2325857329 XPGAEJDWOXZJCA-UHFFFAOYSA-N 342.240 3.696 0 50 EHAA CC(C)[C@@H](N=c1[nH]oc(-c2ccccc2)c1C(=O)O)c1ccccn1 2356143112 VODMOYTUMLREEA-MRXNPFEDSA-N 337.379 3.666 0 50 EHAA COc1cnccc1-c1ccc(C(=O)N[C@H](C)c2cccnc2)cc1 2356146715 RQOYTGIIBTZVPK-CQSZACIVSA-N 333.391 3.643 0 50 EHAA Fc1cccc(-c2ccc(Nc3cnc4c(c3)CNCC4)nc2)c1F 2356165790 OOAMZOKDBYBDAQ-UHFFFAOYSA-N 338.361 3.811 0 50 EHAA Cc1ccc2c(C)nc(Nc3nc(C)c4ccccc4c(=O)n3)nc2c1 497348 UIAZXGWOUPLOLO-UHFFFAOYSA-N 343.390 3.602 0 50 EHAA CCOC(=O)c1ccc(NC(=S)Nc2ccc(OC)cc2C)cc1 610892 LFUKANANHXSXNF-UHFFFAOYSA-N 344.436 3.989 0 50 EHAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(CN2CCCCC2)cc1 2809610 ARPJWAOSTFGDCC-ROUUACIJSA-N 344.455 3.502 0 50 EHAA CCOC(=O)c1sc(-c2ccc(Br)cc2)cc1N 3246422 JKLWLDQXFCTDSF-UHFFFAOYSA-N 326.215 3.937 0 50 EHAA COc1c(S(=O)(=O)Nc2ncccc2C)ccc(Cl)c1Cl 4970473 FCOUBJBSMIJTKZ-UHFFFAOYSA-N 347.223 3.506 0 50 EHAA CN1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1 6008148 DWDVPTQFMDYVRM-CQSZACIVSA-N 334.529 3.723 0 50 EHAA Cc1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)s1 6697780 JKYCEBYMFZMZLN-UHFFFAOYSA-N 325.393 3.678 0 50 EHAA OCCSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1 6701775 PEOKGJDXESXATI-UHFFFAOYSA-N 337.404 3.765 0 50 EHAA Cc1ccccc1OCCCC(=O)/N=c1/[nH]c2ccccc2s1 9089604 QSJHYXHKZNGWOZ-UHFFFAOYSA-N 326.421 3.824 0 50 EHAA Cc1ccc(OC[C@H]2CCCN(Cc3nc(C)ccc3O)C2)cc1 55152805 FSMWTPIQWODORM-KRWDZBQOSA-N 326.440 3.695 0 50 EHAA Cn1cc([C@@H](NCc2cccc3c2OC(F)(F)O3)C(C)(C)C)cn1 414373260 ZDIBTOCCSBRQQA-OAHLLOKOSA-N 337.370 3.619 0 50 EHAA O=C(c1cn(-c2ccccc2)nn1)N1CCC[C@H]1CCc1ccccc1 55487363 BZKXTLUKFRVYBA-SFHVURJKSA-N 346.434 3.505 0 50 EHAA Cc1cnn(Cc2cccc(F)c2)c1NC(=O)Cc1cccs1 65383263 LRDVQMYIRQBCHD-UHFFFAOYSA-N 329.400 3.622 0 50 EHAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccnn2CC)cc1 21791709 JOTUUOABRGRPFR-MRXNPFEDSA-N 328.416 3.671 0 50 EHAA Cc1ccc(C[C@@H](NC(=O)c2cccc(CO)c2)c2ccccn2)cc1 343472480 JKFAWQKPKRLUTH-OAQYLSRUSA-N 346.430 3.596 0 50 EHAA CCN1CCN(CCCCOc2cccc(C(F)(F)F)c2)CC1 20406541 FQTURRLNAJJWTD-UHFFFAOYSA-N 330.394 3.502 0 50 EHAA Cc1ccc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)cc1Cl 67740821 IRMBJRTWXJDTQR-UHFFFAOYSA-N 329.831 3.793 0 50 EHAA C[C@@H](NC(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 20117978 MYKNKSXMLDYMRJ-OAHLLOKOSA-N 345.402 3.825 0 50 EHAA CN1CCC[C@@H](CCC(=O)N(C)Cc2cc3ccccc3s2)C1 65509001 VGMSVGKAZBSKOT-HNNXBMFYSA-N 330.497 3.982 0 50 EHAA Cc1nc(C2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)no1 215958984 WEYJTGWSKGJREW-UHFFFAOYSA-N 341.459 3.595 0 50 EHAA CC(C)Oc1cccc(CN(C)C(=O)[C@@H]2OCCc3ccccc32)c1 123589808 JOINWGYLMREIRS-HXUWFJFHSA-N 339.435 3.746 0 50 EHAA CN(Cc1cscn1)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 279617165 AKSUIBVICUFMJJ-DZGCQCFKSA-N 333.432 3.760 0 50 EHAA Cc1cnc(Cn2ccnc2-c2ccc3cc(Cl)ccc3n2)cn1 71661561 UGDPDJWXAYODBD-UHFFFAOYSA-N 335.798 3.898 0 50 EHAA COc1ccc(CN(C)[C@H](C)c2cccnc2)cc1CN1CCCC1 215178502 RAYXAAPSIYSZHC-QGZVFWFLSA-N 339.483 3.879 0 50 EHAA Cc1nc([C@H](C)N(C)C(=O)Nc2ccc3c(c2)OCO3)c(C)s1 72168806 GQQUSXKMGUFIGD-VIFPVBQESA-N 333.413 3.714 0 50 EHAA COc1ccc(C)cc1C(=O)N1CCCN(CC2CC2)[C@@H](C(C)C)C1 71735848 DPELOCKBDUDWBA-LJQANCHMSA-N 344.499 3.586 0 50 EHAA CC(=O)Nc1cccc(-n2ccnc2-c2cnc(-c3ccco3)nc2)c1 72151833 FRJJWAYMQSUBEU-UHFFFAOYSA-N 345.362 3.548 0 50 EHAA O=C(Nc1ccsc1Cl)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 376147730 IIWOAOZMBUJMKA-WCQYABFASA-N 340.807 3.880 0 50 EHAA Cc1nc([C@@H]2CCCN2C(=O)c2cc3nccnc3cc2F)cs1 241170948 KDBCIVNTOKTWSP-INIZCTEOSA-N 342.399 3.511 0 50 EHAA COc1cccc(-c2nccn2-c2cccc(-c3cnc[nH]3)c2)c1OC 82137699 WFBBHFILUBLCDR-UHFFFAOYSA-N 346.390 3.947 0 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CCc1nc(-c2cc(C(F)F)[nH]n2)n(Cc2ccccc2Cl)n1 823560471 GCIIUBOFSTUKSF-UHFFFAOYSA-N 337.761 3.870 0 50 EHAA O=C(NCc1cnc2c(c1)CCC2)N1CCCCC[C@H]1c1ccco1 584896130 JUUGTCCKHGDYSD-SFHVURJKSA-N 339.439 3.990 0 50 EHAA O=C(NCCCSCc1ccc(Cl)cc1)c1n[nH]cc1Cl 670440142 SHYQBMUJHVXBHV-UHFFFAOYSA-N 344.267 3.770 0 50 EHAA O=C(O)C[C@H]1CCCN(CCOc2cc(Cl)ccc2Cl)CC1 299742425 HWHTZENEGHYSEV-LBPRGKRZSA-N 346.254 3.949 0 50 EHAA C[C@H](Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[C@H]1CCOC1 272178243 FHWSMIDIWULZLY-ZFWWWQNUSA-N 332.444 3.821 0 50 EHAA C[C@H](CNC1CCC(O)(c2cccc(Cl)c2)CC1)Cn1ccnc1 170081758 DGONOUVGASOPPI-VNCLNFNDSA-N 347.890 3.593 0 50 EHAA O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NC[C@H]1CCCO1 131110 HUHGZPUODRNVPT-XEDBTPMOSA-N 337.419 3.574 0 50 EHAA Brc1cccnc1SCc1noc(-c2ccco2)n1 1857530606 LUZDIVRIVQHLNN-UHFFFAOYSA-N 338.186 3.779 0 50 EHAA CCCn1nc(C)c(NC(=O)COc2ccc(Cl)cc2C)c1C 1529178143 JDTQGBULQLIELK-UHFFFAOYSA-N 335.835 3.889 0 50 EHAA CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccco3)c2C(N)=O)C1 375363 WNQJWEADDNLOKP-IOCXFXADSA-N 344.436 3.607 0 50 EHAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1 225901565 WSNYDIRTGGFGKJ-QMMMGPOBSA-N 336.240 3.772 0 50 EHAA COc1ccc([C@@H](CC(=O)NCc2ccncc2)c2ccccc2)cc1 11933692 HMWDZAKWRBCCOT-NRFANRHFSA-N 346.430 3.929 0 50 EHAA COc1ccc(F)c(CN2CC[C@@]3(CCCN(CC4CCC4)C3)C2)c1 11998135 AYZPZOJESPSTGE-OAQYLSRUSA-N 346.490 3.922 0 50 EHAA Cc1cc(NC(=O)[C@H](Sc2nnc(C)s2)c2ccccc2)no1 14115306 AJNZCHZILUIUHN-CYBMUJFWSA-N 346.437 3.615 0 50 EHAA Cc1c(CN2Cc3ccccc3O[C@H](c3ccccc3)C2)cnn1C 14954546 GGICTNSJVDHVRU-NRFANRHFSA-N 333.435 3.864 0 50 EHAA Cc1cccc(C)c1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857697270 MUVQKPKPHFNODE-MZKRTTBSSA-N 349.474 3.902 0 50 EHAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCC[C@@H]1c1cccnc1 1857738627 QJNDAYMZBWPEKA-QGZVFWFLSA-N 332.407 3.757 0 50 EHAA Cc1nnc([C@@H]2CCCN(Cc3cccc(OC(C)(C)C)c3)C2)o1 876665487 CDZQJBCONQVEHE-MRXNPFEDSA-N 329.444 3.935 0 50 EHAA CN(C)C/C=C/C(=O)N[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1875375500 FSCKVFZRYSEFOE-KEMBLGFASA-N 340.389 3.576 0 50 EHAA CCc1nc(CNC(=O)N2CC=C(c3cccc(C)c3C)CC2)co1 895220112 WDPDTTSXQQOHBO-UHFFFAOYSA-N 339.439 3.853 0 50 EHAA CCCOc1ccc(C(=O)N[C@H]2C[C@H](C)N[C@H](C)C2)cc1C(C)C 2325841100 COLMYQKBSZZJAR-SCAQPMJSSA-N 332.488 3.858 0 50 EHAA Fc1cccc2ccnc(NCCN3CCc4sccc4C3)c12 2325856349 MAUNMWZBWSBPKE-UHFFFAOYSA-N 327.428 3.906 0 50 EHAA O=C(NCC[C@H]1CCCCC1(F)F)c1n[nH]c2c1CCCCC2 2325872182 LITRPTXDRDEKOL-GFCCVEGCSA-N 325.403 3.624 0 50 EHAA Cc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1C 30950 QSLKMPCYTZULKZ-UHFFFAOYSA-N 328.843 3.919 0 50 EHAA COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2)c(O)c1OC 315692 GYGQCOUZVRHFII-UHFFFAOYSA-N 326.352 3.900 0 50 EHAA CC(=O)c1cnc2c(-c3cccc(Br)c3)cnn2c1C 319175 GSJBGNFGONTCAS-UHFFFAOYSA-N 330.185 3.670 0 50 EHAA C[C@@H](CCC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2547861 ASUWOMDZJCFFDR-ZDUSSCGKSA-N 339.391 3.778 0 50 EHAA COCCCNC(=O)c1ccc(CSCc2ccccc2)cc1 2962405 PRVWRFHHUKRGRS-UHFFFAOYSA-N 329.465 3.886 0 50 EHAA Cc1ccc(-c2nnc(-c3ccc(NC(=O)[C@H]4CCCO4)cc3)o2)cc1 4841657 SJMPWWVIEOQVCZ-QGZVFWFLSA-N 349.390 3.830 0 50 EHAA COc1cc(Cl)c(S(=O)(=O)Nc2cccc(C)n2)cc1Cl 4970471 QDHZKKLZEJDOAE-UHFFFAOYSA-N 347.223 3.506 0 50 EHAA CCCC(=O)Nc1ccc2c(c1)nc(Cn1ccnc1)n2CC(C)C 6665292 PNIOERJFMVBXIA-UHFFFAOYSA-N 339.443 3.676 0 50 EHAA CCCSc1ccccc1C(=O)N1CCC[C@@H](C(=O)OCC)C1 6703080 DAHZEDGMYHOSHF-CQSZACIVSA-N 335.469 3.604 0 50 EHAA COc1ccccc1OCCNC(=O)Nc1cccc(SC)c1 9875358 NBYPVCKXXZWNGI-UHFFFAOYSA-N 332.425 3.618 0 50 EHAA CCN(CCc1nc2cc(C)ccc2[nH]1)Cc1cc(C(C)(C)C)[nH]n1 55384132 DBSQESGKENXNCF-UHFFFAOYSA-N 339.487 3.957 0 50 EHAA Cc1ccccc1Oc1ncccc1CNC(=O)c1ccc(CO)cc1 67691199 MVZUPLJNLBWPAG-UHFFFAOYSA-N 348.402 3.605 0 50 EHAA COc1ccc2c(c1)C[C@H](c1nc(Cc3ccc(F)cc3)no1)CO2 20779197 HOHDNGPFGDWMRJ-AWEZNQCLSA-N 340.354 3.527 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3)C2)C1 64034262 VIVJOJHMUNGFKP-HXUWFJFHSA-N 330.472 3.910 0 50 EHAA C[C@H](CCNc1ncnc2nc[nH]c12)c1cccc(C(F)(F)F)c1 170647918 PTRAMHMAHFYIGX-SNVBAGLBSA-N 335.333 3.977 0 50 EHAA CC(C)(C)NC(=O)c1ccn(COc2c(Cl)cccc2Cl)n1 2795381 GCWBCUIZVVDYTA-UHFFFAOYSA-N 342.226 3.755 0 50 EHAA O=C(Cn1cc(-c2ccccc2)c(C(F)(F)F)n1)N1CCCCC1 170613188 QOWAUXFWTKGOTI-UHFFFAOYSA-N 337.345 3.581 0 50 EHAA COc1cnc2ccccc2c1C(=O)N1CCC[C@H](C(F)(F)F)C1 253392843 IDIRJUSYCMDDDJ-NSHDSACASA-N 338.329 3.658 0 50 EHAA CN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@@H](c1ccc(Cl)cc1)c1ncccn1 253369926 JYDFMVYUHJGUNZ-HZMVEIRTSA-N 341.842 3.724 0 50 EHAA O=C(Nc1ccccc1-c1nnc[nH]1)[C@H]1C[C@@]12CCCc1ccccc12 253418567 WQLOVMXAGFICCQ-DYESRHJHSA-N 344.418 3.704 0 50 EHAA CCO[C@H]1C[C@@H](NC(=O)C2CCC(n3cccc3)CC2)C12CCC2 170638859 NBKSVVBLRAPAGW-HIEASXQVSA-N 330.472 3.683 0 50 EHAA C[C@H]1Sc2ccccc2N(C(=O)c2ccnn2CC(F)F)[C@@H]1C 253424180 BONSQNNGGKXPQC-GHMZBOCLSA-N 337.395 3.678 0 50 EHAA COC(=O)[C@@H]1CC12CCN(C(=O)Nc1cccc(SC)c1C)CC2 253417823 FRTNWYFPZLHWPR-ZDUSSCGKSA-N 348.468 3.524 0 50 EHAA CN(CC[C@H](O)c1ccccc1)C(=O)c1ccc(-c2ccccc2)n1C 215510110 ZNNLCXXIKOIIMR-NRFANRHFSA-N 348.446 3.888 0 50 EHAA O=C(N[C@H]1CCNC1)c1ccc(-c2ccc(Cl)c(Cl)c2)s1 126581292 FWHYOWWZPXBSBR-JTQLQIEISA-N 341.263 3.814 0 50 EHAA Cc1ccc2cc(C(=O)N3CCC[C@@H](CCC(=O)O)C3)c(C)nc2c1 237888193 IWOJFXYNLXJRIH-HNNXBMFYSA-N 340.423 3.569 0 50 EHAA CC[C@@H]1CN(C(=O)c2ccc(-c3ccco3)cc2)CCN1C(C)C 82127115 ZYHPYQLNUWYBSZ-GOSISDBHSA-N 326.440 3.891 0 50 EHAA CCC(CC)n1ncc(C(=O)N[C@@H]2CCOc3c(F)cccc32)c1C 239761619 CJYMJCVIUHDUGH-QGZVFWFLSA-N 345.418 3.945 0 50 EHAA Cc1noc(C)c1C(C)(C)NC(=O)[C@H]1COc2ccc(Cl)cc2C1 286424202 NFCKSXPHEADPKS-CYBMUJFWSA-N 348.830 3.547 0 50 EHAA C[C@@H]1CCN2c3cc(Cl)ccc3CC3(C(=O)CCCC3=O)[C@H]2C1 247817943 FBWIISMUPSTHPX-MLGOLLRUSA-N 331.843 3.810 0 50 EHAA CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)C(=O)NCc1ccccc1 245253599 IYIDVOFMCXKXLD-CAMMJAKZSA-N 344.499 3.660 0 50 EHAA O=C(Nc1ccccc1-c1ccncc1)N1CCC[C@H]1Cn1ccnc1 180478550 PWHUJOANEDYSAU-KRWDZBQOSA-N 347.422 3.642 0 50 EHAA Cc1ccccc1[C@H](NC(=O)CSCC1CC1)c1ccncc1 299802252 KBTLQQZUOVMNOE-LJQANCHMSA-N 326.465 3.739 0 50 EHAA O=C(CNc1cccc(F)c1)NC[C@H]1CCCO[C@@H]1c1ccccc1 408513050 AODSNFHTTRRNPA-OXQOHEQNSA-N 342.414 3.522 0 50 EHAA O=C(c1cnc2c(c1)CCCC2)N1CCOc2ccc(Cl)cc2C1 1506431675 VBJYUEWCBMNHMJ-UHFFFAOYSA-N 342.826 3.649 0 50 EHAA COc1ccccc1CN1CCN(Cc2ccc(Cl)cc2)CC1 19781833 AYUJSXPEEOWVIP-UHFFFAOYSA-N 330.859 3.666 0 50 EHAA CC(=O)Nc1cc(C(=O)N[C@H]2CCOc3c(C)cccc32)ccc1C 239782351 CNVWLRBRCKZKII-KRWDZBQOSA-N 338.407 3.515 0 50 EHAA COc1ccc([C@H]2CCCN2c2nnc(-c3ccccn3)s2)cc1 252536780 JOIOKUYSICESMF-MRXNPFEDSA-N 338.436 3.950 0 50 EHAA C[C@H](CCc1ccc(O)cc1)NC(=O)[C@H]1CCCCN1C1CCCC1 253431363 GWCYOXOQMXOOOS-OXQOHEQNSA-N 344.499 3.627 0 50 EHAA Cc1nc(NC(=O)[C@@H]2CC[C@H](N)C2)sc1Cc1cccc(Cl)c1 152248447 LOWIJYMVBWKMFZ-OCCSQVGLSA-N 349.887 3.762 0 50 EHAA Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](CO)c1cccc(Cl)c1 1875255963 SUJSKZXDXWZVCS-KSSFIOAISA-N 331.843 3.992 0 50 EHAA CC[C@H](C)[C@H](C)NC(=O)c1c(NC(=O)C(C)(C)C)cccc1OC 1875357461 IFLRLFYEVYXCJD-STQMWFEESA-N 334.460 3.844 0 50 EHAA CC(=O)n1cc([C@@H]2OC(=O)C(C)(C)C(=O)C2(C)C)c2ccccc21 108909 QXWQUHBXWVNFMX-HNNXBMFYSA-N 327.380 3.521 0 50 EHAA N=c1cc(N2CC[C@@H](Oc3ccc(F)c(F)c3)C2)c2ccccc2[nH]1 2325858446 NNVLRAZRURJPON-CYBMUJFWSA-N 341.361 3.583 0 50 EHAA c1ccc2c(=NCCCNCc3ccc4[nH]ccc4c3)cc[nH]c2c1 2325899736 UMJWTJVGTTUEQK-UHFFFAOYSA-N 330.435 3.730 0 50 EHAA CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 121029 DQWUKBFAOSIKEW-UHFFFAOYSA-N 335.285 3.592 0 50 EHAA CCCc1ccc(-c2ccc(/C=C/C(=O)N3CCOCC3)cc2)nc1 263750 IBRYTWBHHWYWGJ-YRNVUSSQSA-N 336.435 3.573 0 50 EHAA COc1ccccc1N1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 318077 LFQRYQYOQQOXCN-KRWDZBQOSA-N 338.451 3.538 0 50 EHAA CC(C)(C)c1nnc(NC(=O)COc2ccc(Cl)cc2)s1 318384 WNZHBOPAYUJVAX-UHFFFAOYSA-N 325.821 3.507 0 50 EHAA COC(=O)c1ccc(C)c(NC(=O)CSc2ccc(C)cc2)c1 319207 PFCIUPYSFFKDSO-UHFFFAOYSA-N 329.421 3.821 0 50 EHAA CCOc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)cc1 355616 OVCNZDJBABGZFK-UHFFFAOYSA-N 339.395 3.792 0 50 EHAA CCOc1cccc2cc(C(=O)NCCC3=CCCCC3)c(=O)oc12 1055220 WNYLDQSBOGWQOX-UHFFFAOYSA-N 341.407 3.812 0 50 EHAA biogenic Cc1cc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1 2746318 NEIMRIDUQDKQDY-HNNXBMFYSA-N 348.402 3.577 0 50 EHAA COCCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 2809071 GJDRNKNRASRNJW-UHFFFAOYSA-N 326.771 3.682 0 50 EHAA Cc1cc2nc(C[C@@H](O)c3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C 4533411 ONFFSKXHZIEBNY-GOSISDBHSA-N 334.423 3.949 0 50 EHAA O=C(c1ccco1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 4583438 KPOSFMURTJZZAI-UHFFFAOYSA-N 347.827 3.505 0 50 EHAA COc1ccc2oc(=O)c(C(=O)Oc3ccccc3Cl)cc2c1 4858732 MJFJQNOKUSWZIW-UHFFFAOYSA-N 330.723 3.674 0 50 EHAA O=C(CCCc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2 7599028 OOEQIJAYUBGEJG-UHFFFAOYSA-N 336.391 3.901 0 50 EHAA Cc1ccc(CN2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)o1 11662044 XZXNENMUVOMWOM-UHFFFAOYSA-N 344.459 3.606 0 50 EHAA CCCCNC(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1 12138501 VCZGBHNSFJFCPX-UHFFFAOYSA-N 340.423 3.868 0 50 EHAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccsc3)C2)cc1OC 12196637 SSQYWVCICUXZCY-MRXNPFEDSA-N 345.464 3.860 0 50 EHAA 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Cn1cc(NC(=O)NCC(C)(C)C2CCCC2)c(C(F)(F)F)n1 332374175 WFUPVKURINOSRP-UHFFFAOYSA-N 332.370 3.777 0 50 EHAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Nc1c[nH]nc1-c1nccs1 333746429 SCUILVKQHWRDDH-MDZLAQPJSA-N 331.445 3.718 0 50 EHAA Cc1nn(C(C)C)c(C)c1CC(=O)N1CCC(CC(F)(F)F)CC1 353465887 VZVNLFDADLYDAD-UHFFFAOYSA-N 345.409 3.814 0 50 EHAA Cc1c(Cl)c(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)nn1C 421871503 BKNWZGZBLQPSIF-SNVBAGLBSA-N 349.784 3.577 0 50 EHAA CO[C@@H](C)c1cccc(-c2nc(N(C)C)n(Cc3ccccc3)n2)c1 426690354 UUKVTJQZYGJYCR-HNNXBMFYSA-N 336.439 3.767 0 50 EHAA O[C@@H](c1ccccc1)[C@H](NCc1nccn1C(F)F)c1ccccc1 813783730 ZUVMFOXDDQWFGL-MSOLQXFVSA-N 343.377 3.843 0 50 EHAA FC(F)c1cc(N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)ncn1 894786987 UGMSEVWSINTQGX-AWEZNQCLSA-N 346.381 3.734 0 50 EHAA COC1(c2nc(-c3ccc(-c4nnco4)cc3)no2)CCCCCC1 904051271 TYZFNULNYAPQCH-UHFFFAOYSA-N 340.383 3.983 0 50 EHAA COc1ccc(F)cc1CN[C@@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952977227 PNYXFZRVRIZIMF-BVZIGLSBSA-N 333.447 3.644 0 50 EHAA COc1cc(CNc2ccc(N3CCOCC3)cc2C)ccc1F 1461085167 NWTXJLNDHRNGFR-UHFFFAOYSA-N 330.403 3.591 0 50 EHAA CC(=O)NC(C)(C)C[C@H](C)NCc1cc(Cl)ccc1OC(C)C 1506408236 QQOBQUIEQOILDM-ZDUSSCGKSA-N 340.895 3.910 0 50 EHAA CC(C)c1ccc(CC(=O)N2CCC(c3ccnc(O)c3)CC2)cc1 1772806659 DEYSYWIPBUNVGB-UHFFFAOYSA-N 338.451 3.859 0 50 EHAA CCn1cc(C2CCN(C(=O)C3CCC4(CCC4)CC3)CC2)cn1 1875280590 YPPJUPZZHCBTPC-UHFFFAOYSA-N 329.488 3.970 0 50 EHAA CN(Cc1nccn1C1CC1)C(=O)Nc1nc2ccsc2s1 1875289596 CDLBRMLONGXIHK-UHFFFAOYSA-N 333.442 3.553 0 50 EHAA COc1ccc(COc2ccccc2-c2cnc3cnccn23)cc1 2356136698 FVBFOLSRWFQYQG-UHFFFAOYSA-N 331.375 3.984 0 50 EHAA CC(C)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2Cl)C1=O 2356148297 PQURMAYJTFTOSD-SFHVURJKSA-N 338.854 3.845 0 50 EHAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1C(=O)O 41899 BRFXGVVYPHCOTN-CABZTGNLSA-N 328.195 3.915 0 50 EHAA O=C(Cc1cccs1)Nc1nnc(CCc2ccccc2)s1 621662 QBSCWZMJLKQFDZ-UHFFFAOYSA-N 329.450 3.566 0 50 EHAA COc1ccc(CCNC(=O)CSc2ccc(Cl)cc2)cc1 1099364 FWMZBCPXUAUSBT-UHFFFAOYSA-N 335.856 3.800 0 50 EHAA COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 6697799 QZFUCOKANMPVBZ-NSHDSACASA-N 335.787 3.763 0 50 EHAA COc1ccc(OC)c(C2=NN(C(C)=O)[C@H](c3ccccc3C)C2)c1 225847949 XRTURIPONWAJMT-IBGZPJMESA-N 338.407 3.710 0 50 EHAA Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NCc1c[nH]nc1C 119248426 BSERIHBCHCZNEP-KBPBESRZSA-N 340.471 3.757 0 50 EHAA O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 67673548 APIXEQMXVHOKDB-NRFANRHFSA-N 349.434 3.758 0 50 EHAA CCc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 62121467 XEEDXKJXGLMWKQ-OAHLLOKOSA-N 332.444 3.895 0 50 EHAA CC(C)[C@@](C)(O)c1nc(-c2cccc(OCc3cccnc3)c2)no1 170606762 GYSKXRIKFRMDMY-LJQANCHMSA-N 339.395 3.574 0 50 EHAA CN(CC(F)(F)F)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 170604538 XNPSAPIUPGCCAK-UHFFFAOYSA-N 341.289 3.558 0 50 EHAA O[C@@]1(c2ccccc2)CCN(CCc2ccccn2)[C@H]2CCCC[C@@H]21 72156521 MFNWRRLFBJPJFZ-FDFHNCONSA-N 336.479 3.776 0 50 EHAA Cc1ccccc1CSCC(=O)N1CCC2(CCOCC2)CC1 219623525 LNFATLAJJRPXIK-UHFFFAOYSA-N 333.497 3.647 0 50 EHAA CC[C@@H]1CCCCN1C(=O)c1cccc(Oc2nccc(C)n2)c1 72437636 BMVNUIKCWHKBQP-MRXNPFEDSA-N 325.412 3.982 0 50 EHAA C[C@H]1OCCN(C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1nc(C2CC2)no1 329822082 PWAHRAGJFJYRMY-QCSYZSNVSA-N 339.439 3.513 0 50 EHAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)c2ccncc2)C1 12578051 KNXWTOULYSVKPO-GOSISDBHSA-N 346.434 3.711 0 50 EHAA O=C(c1ccc(O)cn1)N1CCC[C@H](CCc2c(F)cccc2F)C1 71707895 UKKVPJHZKSNVJF-CYBMUJFWSA-N 346.377 3.550 0 50 EHAA COc1cc(OC)c(CN2CC(Oc3cccc(C)c3)C2)cc1Cl 216102570 PFWZXENUISMWIJ-UHFFFAOYSA-N 347.842 3.929 0 50 EHAA Cc1nn(C)cc1CN1CCC[C@@H](CCc2c(F)cccc2F)C1 71589593 RAHKHPBSLRWZOF-HNNXBMFYSA-N 333.426 3.852 0 50 EHAA CC(=O)N1CCCC[C@@H]1c1nc(C2(c3cc(C)cc(C)c3)CC2)no1 333211307 KAIZMHHMKLGESA-QGZVFWFLSA-N 339.439 3.840 0 50 EHAA C[C@H]1C[C@H](N)CCN1C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 237618013 GKMISEYKBZRDSK-SMDDNHRTSA-N 343.858 3.717 0 50 EHAA O=C(CCc1ccncc1)N1CC=C(c2cccc(Cl)c2)CC1 279852720 TYWMXLUHSRXSAT-UHFFFAOYSA-N 326.827 3.984 0 50 EHAA CSCC(C)(C)C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 283338065 ATLKFKLZTMYBPD-UONOGXRCSA-N 345.867 3.815 0 50 EHAA CC(C)n1ccc(NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)n1 280726677 KBQCZHDOZCLUJP-DOTOQJQBSA-N 328.416 3.506 0 50 EHAA O=C(Nc1ccc(Cl)c(Cl)n1)N1CCCC[C@H]1c1cn[nH]c1 241277718 LIOVGNADKVMYPB-NSHDSACASA-N 340.214 3.871 0 50 EHAA COc1cc(C)cc(NC(=O)N2CCC[C@H](OCC3CC3)C2)c1C 241869047 STYPRLYIEBRIQC-INIZCTEOSA-N 332.444 3.735 0 50 EHAA CC(C)CC[C@@H](NCc1ccccc1CN1CCC(O)CC1)C1CC1 338779777 LKOXCHHRUNBGLM-JOCHJYFZSA-N 344.543 3.948 0 50 EHAA CCCOc1ccccc1[C@H](C)NC(=O)c1ccccc1C(=O)O 426493026 SRRZPPIPLGZGLS-ZDUSSCGKSA-N 327.380 3.665 0 50 EHAA Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(Cl)cn3)nc2c1 265569621 SCLPWJVIIFLLPP-MRXNPFEDSA-N 340.814 3.897 0 50 EHAA O=C(CCCc1cccs1)N1CC[C@H](Cc2ccc(CO)cc2)C1 91595654 ONNFCXSAJAYWKW-GOSISDBHSA-N 343.492 3.654 0 50 EHAA CC(C)(C)OC(=O)NCCC[C@@H](NCc1cc[nH]n1)c1ccccc1 289776422 XVRADPHENKDEMS-QGZVFWFLSA-N 344.459 3.546 0 50 EHAA CCCn1cnnc1CNC(=O)c1ccc(-c2ccccc2Cl)o1 91858402 CHICIOACRVERMT-UHFFFAOYSA-N 344.802 3.532 0 50 EHAA C[C@@H](Cn1cccn1)c1nc(Cc2cccs2)nn1C(C)(C)C 95507850 SWCYIDYRGQDSHL-ZDUSSCGKSA-N 329.473 3.686 0 50 EHAA O=C(N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1)c1ccc2[nH]ccc2c1 243893750 ATSHDUJJZKSQEI-WDYCEAGBSA-N 338.382 3.549 0 50 EHAA CCN(Cc1c(F)cccc1Cl)C[C@H]1Cc2c(C)nc(C)nc2O1 252488693 IXCPEPZLMDGLRX-CYBMUJFWSA-N 349.837 3.712 0 50 EHAA O=C(Cc1ccsc1)Nc1cccc2c1CN(CC(F)(F)F)C2 189544322 SEZOYZSUXXANQM-UHFFFAOYSA-N 340.370 3.807 0 50 EHAA COC[C@@H](C)n1ccc(NCC2=Cc3cc(Cl)ccc3OC2)n1 189874266 QOFICXGGZSANHO-GFCCVEGCSA-N 333.819 3.632 0 50 EHAA CO[C@@H]1CCC[C@]12CCCN(C(=O)c1ccc(C(F)(F)F)nc1)C2 1704339243 GWHTWHJXCCDQIZ-GDBMZVCRSA-N 342.361 3.522 0 50 EHAA CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)OCc2ccccc2)C1 117355926 WBCJCRHCNGJQOY-CVEARBPZSA-N 348.443 3.749 0 50 EHAA in-vitro CC(C)(C)OC(=O)N1CCC[C@]1(C/C=C/c1ccccc1)C(=O)O 4241182 ZBMUTXFJZDGZLP-BQHJZSHBSA-N 331.412 3.944 0 50 EHAA Cc1sc2ccccc2c1CN1CC[C@]2(CCCN(C)C2=O)C1 11945820 NNSJCJBBEUGGDA-LJQANCHMSA-N 328.481 3.654 0 50 EHAA Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CC(C)(C)OC2 13675556 JIRFPFVNZKSTDP-UHFFFAOYSA-N 331.437 3.647 0 50 EHAA OCCNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 16577266 QCJZPOCDEGWBDD-UHFFFAOYSA-N 326.223 3.654 0 50 EHAA Cc1ccc(COc2ccc3ccccc3c2CNc2nnn[nH]2)cc1 16578481 JEUIDYLADDBYMD-UHFFFAOYSA-N 345.406 3.852 0 50 EHAA COc1ccccc1CN1CCN(Cc2cccc(Cl)c2)CC1 19781995 ROFVBIBZHRNLPA-UHFFFAOYSA-N 330.859 3.666 0 50 EHAA CCOC(=O)c1cc2cc(C[C@H](C)N)ccc2n1Cc1ccccc1 167332041 LPBUQDHKLGIXBJ-HNNXBMFYSA-N 336.435 3.756 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CC(c2cccc(C)c2)C1 328624792 COMNCQYMYWHMMC-GUMHCPJTSA-N 339.483 3.967 0 50 EHAA O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1noc2c1CCCCC2 124955909 CFGUQQXFTGZOET-QWRGUYRKSA-N 330.350 3.794 0 50 EHAA Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cccc(C(N)=O)c2)cc1 133687575 BTAPNDUQQDTOJY-HNAYVOBHSA-N 336.435 3.707 0 50 EHAA Cc1ccc(CN(C(=O)Cc2ccc(C(=O)O)cc2)C2CC2)cc1C 263315315 HLMAHHWTHWYGFM-UHFFFAOYSA-N 337.419 3.735 0 50 EHAA Cc1c(Nc2cc(-c3ccccc3)ncn2)cnn1C1CCOCC1 872558452 MTYSEPPUHQXZJB-UHFFFAOYSA-N 335.411 3.744 0 50 EHAA Cc1c(CNc2cccc([C@@H]3CCCC(=O)N3)c2)cnn1C1CCC1 1875290906 HZCIRLHLUKHKBI-IBGZPJMESA-N 338.455 3.870 0 50 EHAA CC(C)(C)OC(=O)N1Cc2ccc(N[C@@H]3CCCOCC3)cc2C1 386426290 IFIIMEQFCZRGBR-MRXNPFEDSA-N 332.444 3.918 0 50 EHAA CC(C)c1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1 4190970 YKOSLKGEHSNDGD-LJQANCHMSA-N 338.432 3.695 0 50 EHAA O=C(O)CC1(NCc2cc(Cl)ccc2Br)CCC1 1875319508 GDGRQAIOCZHFSX-UHFFFAOYSA-N 332.625 3.590 0 50 EHAA Cc1ccc([C@H]2CCN(C(=O)c3c(C)nc4sccn34)C2)cc1 860766582 AHGHOWAITSPGJU-HNNXBMFYSA-N 325.437 3.642 0 50 EHAA O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12 57310 AFYNADDZULBEJA-UHFFFAOYSA-N 344.326 3.846 0 50 EHAA biogenic,in-vitro COc1ccc(OC)c2c1CC(C)(C)n1c(-c3ccccc3)nnc1-2 71544 AHQPDKZRNZQLSQ-UHFFFAOYSA-N 335.407 3.921 0 50 EHAA O=C(NC(=S)Nc1ccc(Cl)cn1)c1cc2ccccc2o1 180559 FMLMRAUEJHZUKQ-UHFFFAOYSA-N 331.784 3.608 0 50 EHAA Cc1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NCc1ccccc1 191685 AUUGQSNNJXVTOR-RBUKOAKNSA-N 348.446 3.832 0 50 EHAA COc1cc(C)c(CN2CCN(c3ccccc3OC)CC2)cc1C 292401 VEFIWLFBPZLVOO-UHFFFAOYSA-N 340.467 3.643 0 50 EHAA CNC(=S)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1 620536 XIJKEYVMOYKQGK-GOSISDBHSA-N 339.464 3.659 0 50 EHAA CC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 1431379 XMHDWZIQLJLKFR-OAHLLOKOSA-N 329.396 3.594 0 50 EHAA COc1ccc(CN2CCSCC2)cc1OCc1ccccc1 2893756 MPIKQPLKHCSTDV-UHFFFAOYSA-N 329.465 3.823 0 50 EHAA COc1cc(NC(=O)[C@H](C)Oc2ccccc2)c(OC)cc1Cl 2983269 DYPAHZPQCKJTEI-NSHDSACASA-N 335.787 3.763 0 50 EHAA O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1nc[nH]n1 4282251 OOKKURZGDGCSCX-UHFFFAOYSA-N 339.742 3.519 0 50 EHAA CCN(CCC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1 4743680 CSVSFHSGBPJYKL-UHFFFAOYSA-N 342.439 3.555 0 50 EHAA CCOc1ccccc1-c1nn2c(-c3ccoc3C)nnc2s1 4938935 PZTKUBGCKBPZKV-UHFFFAOYSA-N 326.381 3.820 0 50 EHAA COc1ccc(-c2noc(CN(C)C(=O)CCC3CCCC3)n2)cc1 4943873 SAZKFQHSIFAVTL-UHFFFAOYSA-N 343.427 3.674 0 50 EHAA COc1cccc(CNC[C@H]2CCCO2)c1OCc1ccccc1F 4998015 XYZHLPQTEAIRDD-QGZVFWFLSA-N 345.414 3.682 0 50 EHAA CC(C)c1ccccc1OC(C)(C)C(=O)NC1CCN(C(C)C)CC1 12383099 VWGOYKURPPQMLK-UHFFFAOYSA-N 346.515 3.956 0 50 EHAA O=C(Nc1ccc(CN2CCOCC2)cc1)Nc1ccccc1Cl 13324809 HQOULLVTLCFJES-UHFFFAOYSA-N 345.830 3.816 0 50 EHAA COC[C@@H]1CCCN(Cc2cn(C)nc2-c2cccc(Cl)c2)C1 14975909 XADNDNHPSSWZDH-CQSZACIVSA-N 333.863 3.599 0 50 EHAA Cc1ccc2[nH]c(Nc3nc(C)cc(-c4ccccc4)n3)nc(=O)c2c1 18169248 WMSAIFRPFRTZNA-UHFFFAOYSA-N 343.390 3.741 0 50 EHAA O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc2ccccc12 19922525 SPUJLFQDPYTEGW-UHFFFAOYSA-N 346.430 3.924 0 50 EHAA COc1ccc(-c2cccc(-c3ccn(C[C@@H](C)O)n3)c2)cc1OC 20997669 XJKXEBPJHYERRQ-CQSZACIVSA-N 338.407 3.615 0 50 EHAA COc1ccc(CC[C@@H](C)N2CCN(c3ccccc3F)CC2)cc1 23282903 QTGNGOOBUAPRHM-QGZVFWFLSA-N 342.458 3.978 0 50 EHAA CSc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 32958646 TXEIIROEFBFCJV-UHFFFAOYSA-N 326.421 3.788 0 50 EHAA Cc1ccc(-c2nn3c(NCCCN(C)C)cc(C)nc3c2C)cc1 40216917 ICFOPUPXHOGZQC-UHFFFAOYSA-N 337.471 3.685 0 50 EHAA CC(=O)Nc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1 41148165 RWHDGTAAQNKJEP-UHFFFAOYSA-N 347.422 3.932 0 50 EHAA CCOC(=O)/N=c1\[nH]c2ccc(/C=C/c3ccc(OC)cc3)cc2[nH]1 43761148 LGZCFUFMVIVEDW-SNAWJCMRSA-N 337.379 3.732 0 50 EHAA COc1cc([C@@H]2c3cc(OC)c(O)cc3C(=O)[C@@H](C)[C@H]2C)ccc1O 49089772 PSFZYOUCEGTRJM-RMDKCXRXSA-N 342.391 3.715 0 50 EHAA biogenic,in-vitro Cc1nsc(NC(=O)N(C)Cc2cnc(-c3ccccc3)s2)n1 55088121 FJANHAKUEWWOMV-UHFFFAOYSA-N 345.453 3.634 0 50 EHAA C[C@@H](c1ccco1)n1cc(Oc2ccccc2)c(=O)c(C(=O)O)c1 55310160 DIYNWRTXCHUJOK-LBPRGKRZSA-N 325.320 3.541 0 50 EHAA FC(F)(F)c1cccc(C[C@@H]2CN(Cc3nccs3)CCO2)c1 65380810 DPNZLUAKTUSGBP-CQSZACIVSA-N 342.386 3.605 0 50 EHAA COc1ccc2[nH]c(C(=O)N3CCC[C@H]3c3nccs3)c(C)c2c1 67673890 VPNGSVFGSGXIHH-HNNXBMFYSA-N 341.436 3.919 0 50 EHAA c1sc(CN2CCC3(CCOCC3)CC2)cc1CN1CCCC1 72150159 ANCURUXORORQPU-UHFFFAOYSA-N 334.529 3.737 0 50 EHAA Cc1cc(CN(C)c2cc(-c3ccccc3)nc3cc(C)nn23)on1 72408362 RMBGTTFPGIDDCN-UHFFFAOYSA-N 333.395 3.638 0 50 EHAA O=C(CCc1ccco1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 72421767 AMVHFMMWYHNQIU-KRWDZBQOSA-N 341.386 3.981 0 50 EHAA CC(C)C[C@@H](O)C1CCN(C(=O)c2ccccc2N2CCCC2)CC1 77394235 DKPWARPYWKWXOY-HXUWFJFHSA-N 344.499 3.546 0 50 EHAA CN1CCCCC[C@H]1C(=O)NCCSCc1cccc(Cl)c1 95367730 OBAMXGCAQOKKBL-INIZCTEOSA-N 340.920 3.564 0 50 EHAA CCc1ccccc1OC1CN(C(=O)c2ccc(O)c(Cl)c2)C1 95385585 FQRCNWBJLRJRTG-UHFFFAOYSA-N 331.799 3.511 0 50 EHAA O=C(Nc1cccc2cnccc12)N[C@H]1COC2(CCCCC2)C1 96149039 KNOLWANWDHFTIO-OAHLLOKOSA-N 325.412 3.848 0 50 EHAA COc1ccc(CN(C)C2CCSCC2)cc1CN1CCCC1 97413268 XGEIKAMJIFHZOF-UHFFFAOYSA-N 334.529 3.618 0 50 EHAA CC[C@@H](C)Oc1cccc(NC(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)c1 110650124 NZPMLIMUCAFKER-SOGIYBJLSA-N 330.428 3.505 0 50 EHAA CCN1CCC(n2nccc2NC(=O)c2coc3ccccc23)CC1 113166536 JQFQAFZBRWKJBB-UHFFFAOYSA-N 338.411 3.538 0 50 EHAA COc1ccc(-c2csc3ncnc(N[C@@H]4CCC[C@H]4O)c23)cc1 169991182 OIBSQGOBOHBMLU-HUUCEWRRSA-N 341.436 3.692 0 50 EHAA C[C@@H](NC(=O)[C@H]1CC12CCNCC2)C(c1ccccc1)c1ccccc1 170057842 GXQDNGGNNMQYFR-YLJYHZDGSA-N 348.490 3.713 0 50 EHAA O=C(N1CCC(c2ccn[nH]2)CC1)C1(c2ccc(F)cc2F)CCC1 180443168 PMOHHLPMJVZQMO-UHFFFAOYSA-N 345.393 3.516 0 50 EHAA Cc1cc(CCC(=O)NC[C@@H]2CCSC2)ccc1Br 225731173 MUBZGRUJIVQEDG-ZDUSSCGKSA-N 342.302 3.559 0 50 EHAA C[C@@H]1CC=CC[C@H]1COC(=O)[C@H]1CCCN1C(=O)C1CCCCC1 241287099 LJXGHOHWKGRBCW-BPQIPLTHSA-N 333.472 3.703 0 50 EHAA CCNc1nc(C)c(C(=O)N2CCc3cc(SC)ccc3C2)s1 244816903 SQRGWNMHUZPHLB-UHFFFAOYSA-N 347.509 3.804 0 50 EHAA CSc1cccc(NC(=O)NCC2(Cn3nc(C)cc3C)CC2)c1 244873547 WRYJYXWAWMJWPE-UHFFFAOYSA-N 344.484 3.824 0 50 EHAA CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@H]1c1ccsc1 248023037 VHSXTJKHVPSQFY-HIFRSBDPSA-N 332.473 3.690 0 50 EHAA CNC(=S)N1N=C(c2cccc(C)c2)C[C@@H]1c1ccc(OC)cc1 252500932 TZTQKSLZKAJZAU-GOSISDBHSA-N 339.464 3.659 0 50 EHAA C[C@@H](O)CCSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 253432974 QLOHTNGWZMBNSF-CYBMUJFWSA-N 343.427 3.936 0 50 EHAA COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2CCC(=O)O)c1 262300040 PXUYAGDDOLXIKR-UYAOXDASSA-N 325.408 3.701 0 50 EHAA CC(C)c1cc(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)on1 268484484 PTXYBOHRSVUGCM-UHFFFAOYSA-N 340.301 3.856 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1csc(-c2ccco2)n1 274843359 PZQMSXBBKYVPGR-BNOWGMLFSA-N 332.425 3.621 0 50 EHAA C[C@H]1CCCN1c1nnc(-c2ccccc2)n1C[C@H]1CCCCO1 291777572 JEORRZBCGHWVEF-DOTOQJQBSA-N 326.444 3.503 0 50 EHAA O=C(N[C@H](CCCO)c1ccccc1)N[C@H](c1ccccc1)C(F)F 294140380 GOIKBIVRECXAIR-IAGOWNOFSA-N 348.393 3.806 0 50 EHAA Cc1noc(C)c1CCCNc1nc(-c2ccncc2)nc2c1CCC2 301583607 UHTNDJXVWQVIAF-UHFFFAOYSA-N 349.438 3.677 0 50 EHAA CC(C)c1nc(CN(Cc2ccccn2)[C@@H]2CCCNCC2)cs1 357601101 YSERSKURIIIQGO-GOSISDBHSA-N 344.528 3.806 0 50 EHAA COc1ccc(-c2nc(=S)[nH]n3c(=N)[nH]c(-c4ccccc4)c23)cc1 409417866 OIGHQICNBIDKRM-UHFFFAOYSA-N 349.419 3.542 0 50 EHAA CCc1cc(Cl)ccc1NC(=O)N[C@H](c1nccn1C)C1CC1 426674371 YOYDBAHLUQBWBT-HNNXBMFYSA-N 332.835 3.909 0 50 EHAA O=C(Nc1ccccc1F)N1CCC2(CC1)OCCc1ccsc12 486858656 BURBVDIFSFAMJQ-UHFFFAOYSA-N 346.427 3.983 0 50 EHAA CCc1ccc(NC(=O)N2CC(COC)(C3CCC3)C2)cc1OC 667204362 PRKFILQJEOGXAZ-UHFFFAOYSA-N 332.444 3.538 0 50 EHAA CCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc3c(c2)COC3)o1 676247048 OYFNFDSYTYTJMD-SFHVURJKSA-N 340.423 3.919 0 50 EHAA CCCc1ccc(OCCNC(=O)c2csc(SC)n2)cc1 823010899 FAWMWWUMLZEUTP-UHFFFAOYSA-N 336.482 3.626 0 50 EHAA COc1cc(C)ccc1C(=O)Nc1ccc(N2C(=O)CC[C@@H]2C)cc1 824539579 WPWJVCMOZUSVRC-AWEZNQCLSA-N 338.407 3.771 0 50 EHAA OCc1cccc(CNC2CCN(c3ccccc3Cl)CC2)c1 828827627 UPRWUTBLFBLMQQ-UHFFFAOYSA-N 330.859 3.591 0 50 EHAA COC1(OC)CC2(CN(Cc3cccc4cnccc34)[C@H]2C(C)C)C1 877871989 ZYBFNWSBGNTLCT-IBGZPJMESA-N 340.467 3.844 0 50 EHAA CC(C)(C)c1cccc(-c2cccc(CN3CCCS3(=O)=O)c2)n1 904806905 ZKKPZSOVQLLZJN-UHFFFAOYSA-N 344.480 3.582 0 50 EHAA CC[C@@H](C)C(=O)Nc1ccccc1NC(=O)c1cc(CC(C)C)[nH]n1 952964305 CNSRSWSUFPASIN-CYBMUJFWSA-N 342.443 3.845 0 50 EHAA CC(=O)NCc1ccc(N[C@H](C)c2cc(Br)ccn2)cc1 1857530534 QXXBGXOYIRQUOJ-LLVKDONJSA-N 348.244 3.653 0 50 EHAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cccc2ncsc12 2100482600 LEZRQMPVXUPZPY-NSHDSACASA-N 329.450 3.869 0 50 EHAA CC(C)c1ccc(-c2csc(N3CCCNC(=O)CC3)n2)cc1 2325767408 KNPRIVHAMSVCNG-UHFFFAOYSA-N 329.469 3.650 0 50 EHAA C[C@]1(c2nc(Cc3cnc(C4CC4)o3)no2)CCOc2ccccc21 2325789700 GURIWDWCTKPSSM-IBGZPJMESA-N 337.379 3.614 0 50 EHAA Nc1cncc(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)c1C1CC1 2325821257 ZCLSQNWMJQLIFL-GFCCVEGCSA-N 343.814 3.699 0 50 EHAA CC[C@H](c1ccc(-c2cccc(-n3cccn3)c2)cc1)N1CCNCC1 2325859151 PRMHRWQYZNTAOH-JOCHJYFZSA-N 346.478 3.896 0 50 EHAA Cc1c(CN2CCC[C@]23CCCN(C)C3=O)[nH]c2c(Cl)cccc12 2356142922 NKVBREIOYNXKPW-IBGZPJMESA-N 345.874 3.717 0 50 EHAA Cc1nc2ccccc2nc(C)c1=NOCc1ccccc1Cl 141626 VPQDBVGLUJHSQD-UHFFFAOYSA-N 325.799 3.933 0 50 EHAA Cc1c(Cc2ccccc2)sc(NC(=O)c2ccco2)c1C(N)=O 142550 ZKFTYUUONYJCKY-UHFFFAOYSA-N 340.404 3.592 0 50 EHAA COc1ccc(CCNC(=O)COc2cccc3ccccc23)cc1 195406 NFKXMVWYDKNTOP-UHFFFAOYSA-N 335.403 3.586 0 50 EHAA Cc1nn(S(=O)(=O)c2ccccc2)c(C)c1Sc1ccccc1 285899 SHZMMACTDKGERC-UHFFFAOYSA-N 344.461 3.888 0 50 EHAA COC(=O)Nc1ccc(SCC(=O)Nc2ccc(C)cc2)cc1 406846 BLYDLVLOOAJCFO-UHFFFAOYSA-N 330.409 3.904 0 50 EHAA C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccco1 433601 PVLNYEQKUBXVKL-OAHLLOKOSA-N 348.402 3.893 0 50 EHAA CCCC(=O)N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl 2667165 NPCPIGINVYKDFA-NSHDSACASA-N 327.614 3.850 0 50 EHAA O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cccs1 2887595 PBYOKEYCXNTAPG-UHFFFAOYSA-N 328.418 3.734 0 50 EHAA O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1 4785318 PFCAFPNBJVTAGG-UHFFFAOYSA-N 327.771 3.961 0 50 EHAA CCN(Cc1nc(-c2cc(OC)ccc2F)oc1C)C[C@H]1CCCO1 12092916 UXHSGAHRGWGATL-OAHLLOKOSA-N 348.418 3.799 0 50 EHAA Cc1noc(C)c1C(=O)Nc1ccc(Br)c(Cl)c1 13325668 AKBJOGODHTWELU-UHFFFAOYSA-N 329.581 3.960 0 50 EHAA CC(C)(C)c1ccc(O)c(-n2c(S)nc3ccccc3c2=O)c1 17066788 NSAVRLXRTPUPFA-UHFFFAOYSA-N 326.421 3.678 0 50 EHAA COc1cc(CNCCN(C)C)c(Cl)cc1OCc1ccccc1 20500608 XOQQXLSITYFBPP-UHFFFAOYSA-N 348.874 3.579 0 50 EHAA COc1ccc2c(c1)OC1(CCN(Cc3ccccc3)CC1)CC2=O 39226991 IUVRAAHOJCKZJL-UHFFFAOYSA-N 337.419 3.695 0 50 EHAA in-vitro CCOc1cc(CNCc2cnc(C)cn2)ccc1O[C@H](C)CC 55271510 XYMPMVIBLBFBPU-OAHLLOKOSA-N 329.444 3.651 0 50 EHAA CCC[C@H](C)c1nnc(NC(=O)Cc2ccc(OC)cc2OC)s1 55369896 BOYNKIILZPJMFI-NSHDSACASA-N 349.456 3.640 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1Cl 59740609 RCQYHVBOOBIBTI-CYBMUJFWSA-N 336.863 3.872 0 50 EHAA c1ccc2[nH]c(CCn3ccnc3-c3ccc(-c4cc[nH]n4)o3)nc2c1 67675406 NLHHVSHSDXIPRT-UHFFFAOYSA-N 344.378 3.652 0 50 EHAA Cc1c(O)cccc1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71753530 JJTFBGBQTQHIEW-QGZVFWFLSA-N 331.799 3.568 0 50 EHAA OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2cnc[nH]2)CC1 72168221 VAMXLZHMUGUXNV-UHFFFAOYSA-N 347.462 3.558 0 50 EHAA Cc1cccc2[nH]c(C3CCN(c4cc(C5CC5)ncn4)CC3)nc12 77471119 IYVOTWFJQDFCFK-UHFFFAOYSA-N 333.439 3.923 0 50 EHAA CCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)C3CC3)CC2)C1 92077553 JDMIWNRSBLYJLL-LJQANCHMSA-N 326.484 3.515 0 50 EHAA CCc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)nc1 95354415 JTCNSZIQPWQKOV-RBBKRZOGSA-N 335.495 3.740 0 50 EHAA CSc1ncccc1C(=O)N1CCC[C@@H](c2nccn2C(C)C)C1 95375539 DYPCDGJGFSVBSL-CQSZACIVSA-N 344.484 3.601 0 50 EHAA COc1ccc(-c2n[nH]cc2CNc2cccc(-n3ccnc3)c2)cc1 120517857 DRWZGVSRUSMLFI-UHFFFAOYSA-N 345.406 3.883 0 50 EHAA O=C(N1CCC(c2ccn[nH]2)CC1)C1(c2ccc(Cl)cc2)CCC1 125692795 QJQRVYREEKOTRR-UHFFFAOYSA-N 343.858 3.891 0 50 EHAA Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1ncc(-c2ccccc2)[nH]1 129234532 UYVKHYHCHDRXGX-ZWKOTPCHSA-N 331.419 3.805 0 50 EHAA CC(C)C1CCC(N2CCN(C[C@H](O)c3ccccc3)CC2)CC1 175928750 BDZLTXPUHRINRG-MNLRITNHSA-N 330.516 3.552 0 50 EHAA O=C(c1cccc(C(F)F)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 179353344 JIPNVFUJSNTITO-CQSZACIVSA-N 346.381 3.640 0 50 EHAA CC(C)Cn1ccnc1NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 186139102 HUBLNNWZLXDTGV-NEPJUHHUSA-N 337.345 3.699 0 50 EHAA COCCc1ccccc1NC(=O)N1CC[C@@H](Cc2ccccc2)C1 189588282 MMZLTKLRYJUENQ-SFHVURJKSA-N 338.451 3.972 0 50 EHAA Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3OCCc4ccccc43)c2C)o1 192471612 IQUXAXLQWAFYRH-KRWDZBQOSA-N 337.379 3.539 0 50 EHAA COc1cccc(OC)c1[S@](=O)Cc1nc(-c2ccco2)oc1C 194640204 ALTIILDBLIUMFG-XMMPIXPASA-N 347.392 3.568 0 50 EHAA COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2nc(C)sc2C)cc1 219153373 GWYRDTWLEYGAEX-NSHDSACASA-N 346.452 3.609 0 50 EHAA COc1ccc(F)c(F)c1C(=O)N(C)Cc1ccc2ccccc2n1 221165667 OLTCPRANASLWDD-UHFFFAOYSA-N 342.345 3.794 0 50 EHAA CC(C)c1csc2nc(CC(=O)c3cccc(F)c3)[nH]c(=O)c12 225561297 BXEWANRBFOAVOD-UHFFFAOYSA-N 330.384 3.673 0 50 EHAA CC1=NN(c2ccc(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)cc2)CC1 241126157 JJWJSBWGPIJSFW-RACLHMPKSA-N 337.467 3.827 0 50 EHAA C/C(=C\c1ccco1)CN1CC[C@](C)(O)[C@H](Cc2ccccc2)C1 247963247 ALLRHWZNSRQABJ-KRKAENIYSA-N 325.452 3.999 0 50 EHAA CCN(CC)CCc1ccc(NC(=O)NCc2ccsc2)cc1 252498968 RRYXJPXTYGBNRU-UHFFFAOYSA-N 331.485 3.954 0 50 EHAA COc1ccc(S(=O)(=O)Nc2c(C)cc(Cl)cc2C)c(F)c1 252502669 USVAWMZQCVPQRO-UHFFFAOYSA-N 343.807 3.905 0 50 EHAA CC[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc(F)cc1F 252517382 HFCJJLFLFOGFOY-UUWFMWQGSA-N 336.426 3.653 0 50 EHAA CN[C@H](C)Cc1noc(-c2cc3c(s2)-c2ccccc2OC3)n1 261793696 OQHGRRRZPSXVRC-SNVBAGLBSA-N 327.409 3.508 0 50 EHAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 269279875 QCCQWSCUOODUKW-CZUORRHYSA-N 344.405 3.831 0 50 EHAA O=C(c1cc(C2CC2)on1)N(Cc1ccc(F)cc1)C1CCOCC1 277130338 OJISSQCBOYHINL-UHFFFAOYSA-N 344.386 3.513 0 50 EHAA COCCOC1CCC(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)CC1 281218780 OFJZQXBXXUKWFV-CNXCKVANSA-N 345.483 3.648 0 50 EHAA COc1ccccc1CN1CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12 299759241 CZXWAFYDZVTQNU-SESVDKBCSA-N 345.483 3.634 0 50 EHAA Cc1nc2ccc(NC(=O)N(C)[C@@H](C)Cc3ncccc3C)cc2[nH]1 299776850 HPKGAGSDJCEHBW-ZDUSSCGKSA-N 337.427 3.670 0 50 EHAA CC[C@@H](CNC(=O)N1CCC[C@@](C)(OC)CC1)Oc1cccc(C)c1 331408251 FMRFNNIDKDYENI-FXAWDEMLSA-N 348.487 3.753 0 50 EHAA Brc1ccc([C@@H](Cc2ccccn2)N[C@@H]2CCOC2)cc1 346162951 CNTBJFBSUGDZPU-IAGOWNOFSA-N 347.256 3.506 0 50 EHAA CCc1cc(NC(=O)N2CCOc3ccc(F)cc3C2)ccc1F 486475782 KGMUNLHCQCJQQU-UHFFFAOYSA-N 332.350 3.954 0 50 EHAA CCc1nc(-c2cccc(C(=O)N3CCC[C@H]3COC)c2)ccc1C 584889144 BHZNXTXLEUCVML-SFHVURJKSA-N 338.451 3.870 0 50 EHAA C[C@@H](NCC[C@@H]1COc2ccccc2O1)c1ccc(C(F)F)nc1 657926309 SQVACPBLRUHIIX-TZMCWYRMSA-N 334.366 3.900 0 50 EHAA O=C(NCc1ccsc1)[C@@H](c1ccc(F)cc1)N1CCCCC1 827647588 PDBYCPGAEWTPRI-QGZVFWFLSA-N 332.444 3.731 0 50 EHAA C[C@@H](C1CC1)n1nccc1NC1CCN(C(=O)OC(C)(C)C)CC1 952874663 CZRWYIOGJAVICH-ZDUSSCGKSA-N 334.464 3.666 0 50 EHAA COc1cccc(Oc2ccc(NC(=O)[C@H](N)c3ccccc3)cn2)c1 952984750 ZGVDFQWCUAVEBO-LJQANCHMSA-N 349.390 3.521 0 50 EHAA c1ccc2c3c([nH]c2c1)CN(Cc1cc(-c2ccncc2)no1)CC3 1506420415 DOTGLCDANJMEAO-UHFFFAOYSA-N 330.391 3.776 0 50 EHAA CSc1nc(N)cc(N[C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)n1 1529153180 RRECXITVYBGBMX-OAHLLOKOSA-N 342.472 3.775 0 50 EHAA CN(C[C@](C)(O)c1ccccc1)C(=O)[C@H]1CC[C@@H](n2cccc2)CC1 1875274426 OTGOCFIYFPGCSD-DSKINZAPSA-N 340.467 3.586 0 50 EHAA COc1cccc(CNC(=O)Cc2scnc2-c2cccs2)c1 1875324137 IUUTZFOKARDECJ-UHFFFAOYSA-N 344.461 3.739 0 50 EHAA CO[C@@H]1C(C)(C)CN(C(=O)Nc2cn(C)nc2C2CCCC2)C1(C)C 1875404878 ZCCMMKRATRFBKC-MRXNPFEDSA-N 348.491 3.745 0 50 EHAA CC(=O)N[C@@H](C)CC(=O)Nc1nc(-c2ccc(C)cc2C)c(C)s1 1940198147 QQBNBAAIYQILBT-LBPRGKRZSA-N 345.468 3.589 0 50 EHAA CC(C)Cc1nc(CN2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)no1 2356147145 JWUMATGKUXAUDA-ZWKOTPCHSA-N 341.455 3.620 0 50 EHAA C[C@@H](Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)C(=O)O 65013 CTMABIYOLDOKQE-SNVBAGLBSA-N 344.750 3.965 0 50 EHAA COc1cc(NC(=O)COc2ccccc2C)c(OC)cc1Cl 299185 MJAGLNINFCHSRD-UHFFFAOYSA-N 335.787 3.683 0 50 EHAA O=C(O)C1CCN(C(=O)OC2c3ccccc3-c3ccccc32)CC1 336655 BZAYANARTAKJTL-UHFFFAOYSA-N 337.375 3.690 0 50 EHAA CC(=O)Nc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 426402 UCGSZMQNAYNTCC-UHFFFAOYSA-N 344.378 3.518 0 50 EHAA COC(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 445331 VGJAKGRYYFZBAB-UHFFFAOYSA-N 347.798 3.761 0 50 EHAA Cc1ccc(C(=O)COC(=O)c2ccc(Br)o2)cc1C 453412 JHPZFNSQFYWHNU-UHFFFAOYSA-N 337.169 3.699 0 50 EHAA O=S1(=O)N=C(Oc2ccccc2-c2ccccc2)c2ccccc21 468495 MWVLCSOHYAIETP-UHFFFAOYSA-N 335.384 3.882 0 50 EHAA O=Cc1cn(-c2ccc(Br)cc2)nc1-c1cccnc1 732203 YZCHHFAYHXBSIR-UHFFFAOYSA-N 328.169 3.509 0 50 EHAA CC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)O)c2)cc1 1207533 HBWHFUOANGBPBY-UHFFFAOYSA-N 327.380 3.700 0 50 EHAA COc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(OC)c1 2086489 SRJZXXIKEOOARH-UHFFFAOYSA-N 347.239 3.652 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 2556724 NBVVKAUSAGHTSU-KRWDZBQOSA-N 341.407 3.874 0 50 EHAA biogenic CC[C@@H](Oc1ccccc1)c1nn2c(-c3cccnc3)nnc2s1 4938805 LYASADNLROMNNN-CQSZACIVSA-N 337.408 3.778 0 50 EHAA Cc1cccc(C)c1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 6698135 UPVZEHSHAAFRMK-UHFFFAOYSA-N 328.843 3.919 0 50 EHAA O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCc2ccccc21 6743744 ZNLTZSUBYNHDEL-UHFFFAOYSA-N 325.751 3.649 0 50 EHAA O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(N3CCCC3)ncc21 9547627 NPDPLRDSNIKWAS-ZDUSSCGKSA-N 327.815 3.643 0 50 EHAA c1ccc(CCCN[C@H]2CCCc3c2cnn3-c2ccccn2)cc1 11665172 QVRXOFLEYGYXTJ-IBGZPJMESA-N 332.451 3.867 0 50 EHAA Cc1ccccc1CNC(=O)[C@@H]1CC(Cc2cccc(Cl)c2)=NO1 12035513 ARZQNTOMANCFGE-SFHVURJKSA-N 342.826 3.652 0 50 EHAA CN(CCCN1CCCCC1)Cc1nc(-c2cccc(Cl)c2)no1 12595439 CUEGBZBDBFAYLB-UHFFFAOYSA-N 348.878 3.698 0 50 EHAA O=C(c1ccncc1)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 12761457 SPUGOHOCTVTXHN-AWEZNQCLSA-N 330.378 3.845 0 50 EHAA CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc(Cl)cc2)C1 15062643 DBAIZQCZINYLFF-GOSISDBHSA-N 339.863 3.522 0 50 EHAA CN1CCN(C(=O)C[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 16623181 JRKQNAUGNMMOPG-IBGZPJMESA-N 342.870 3.636 0 50 EHAA O=c1[nH]c(/C=C/c2cccc(Br)c2)nc2ccccc12 17945482 NIKGZPRQFMVBJT-CMDGGOBGSA-N 327.181 3.856 0 50 EHAA C[C@@H]1CN(CCCCOc2ccccc2Br)C[C@@H](C)O1 20166958 FIPKWASTKUDGBW-ZIAGYGMSSA-N 342.277 3.717 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C 43758741 PCTFUNUQNHEEEB-BZVPJVENSA-N 330.468 3.982 0 50 EHAA Cc1cc(Cl)ccc1NC(=O)[C@H](C)n1ncc2ccccc2c1=O 65363015 HFJXLHHDTGSLJG-LBPRGKRZSA-N 341.798 3.558 0 50 EHAA Cc1ccsc1[C@@H]1CCN(Cc2cn(C)c3ccccc23)C[C@H]1O 65526579 USLPFOFFJSZWLG-IEBWSBKVSA-N 340.492 3.899 0 50 EHAA COc1ccc(C(C)C)cc1CN1CCC2(CCNC(=O)CC2)CC1 67946180 HDCQVCAPJBZLCA-UHFFFAOYSA-N 344.499 3.701 0 50 EHAA COc1cccc(-n2cc(CN(C)Cc3cc(F)ccc3F)cn2)c1 72154498 SHIXDZVDFQEEBZ-UHFFFAOYSA-N 343.377 3.791 0 50 EHAA Cc1cc(N(C)CCc2nc3c(C)cccc3[nH]2)n2nc(C)c(C)c2n1 72435567 ZLISMGZMMHBXBJ-UHFFFAOYSA-N 348.454 3.518 0 50 EHAA COCC1(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)CCC1 77553621 MCDNDRWDVDFEGN-UHFFFAOYSA-N 332.831 3.523 0 50 EHAA CCn1nc(CNC(=O)c2sc(C(C)C)nc2C)c2ccccc21 91486401 RTEVAEJXYXNMTQ-UHFFFAOYSA-N 342.468 3.875 0 50 EHAA C[C@@]1(c2ccccc2)CCC(=O)N(Cc2nc3ccc(F)cc3[nH]2)C1 91726232 LNWMZOJERVNRSI-HXUWFJFHSA-N 337.398 3.782 0 50 EHAA CN(Cc1cccc(-n2cccn2)c1)C(=O)C[C@H]1CCc2ccccc21 91965137 MHEWIMDAXKMSCD-LJQANCHMSA-N 345.446 3.951 0 50 EHAA O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 100627719 CQAKHYZWTCUJJW-QAMTZSDWSA-N 349.386 3.940 0 50 EHAA CCOc1ccccc1-c1nc(-c2ccc(O)c(C(N)=O)c2)cs1 120775416 ZJEXKHXDPLNUDL-UHFFFAOYSA-N 340.404 3.680 0 50 EHAA CCn1ccnc1-c1cccc(NC(=O)c2cccc3c2OCCO3)c1 157269681 PFFZBJLWDVEPMC-UHFFFAOYSA-N 349.390 3.594 0 50 EHAA CC(=O)c1cccc(NC(=O)[C@@](C)(CC(=O)O)C2CCCCC2)c1 169975464 OLGYTFTZAUMNAF-IBGZPJMESA-N 331.412 3.889 0 50 EHAA Cn1c(C(=O)N2CCC(OC3CCCC3)CC2)cc(Cl)c1Cl 225524987 XAKQVUGJBNMKLF-UHFFFAOYSA-N 345.270 3.896 0 50 EHAA Cc1cc(CN[C@H](Cc2ccccc2)c2ccccc2)nc(N(C)C)n1 241815955 SEKMGBRWZCVKBR-OAQYLSRUSA-N 346.478 3.925 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)c1 247041374 DSDHKACJHWCKHJ-FGTMMUONSA-N 343.858 3.812 0 50 EHAA C[C@H]1C[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CCN1C 253419262 FBAORFZEBXCIDI-QSFXBCCZSA-N 340.442 3.762 0 50 EHAA Cc1cn(Cc2cc(Cl)ccc2F)cc(Br)c1=O 253431900 YCJXHNJJNJKRNF-UHFFFAOYSA-N 330.584 3.760 0 50 EHAA Cc1nnccc1C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 269980345 VZLDWAAMULBWFC-UHFFFAOYSA-N 347.871 3.835 0 50 EHAA CCn1cc(C2CCN(C[C@@H](O)c3cc4ccccc4o3)CC2)cn1 293087148 MWUYEGIAITXXIM-GOSISDBHSA-N 339.439 3.562 0 50 EHAA O=C(N[C@@H](CCCO)c1ccccc1)N[C@H](c1ccccc1)C(F)F 294140376 GOIKBIVRECXAIR-DLBZAZTESA-N 348.393 3.806 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1coc(-c2ccccc2)n1 294305808 XNHXTBOWZGYVTK-OIISXLGYSA-N 326.396 3.559 0 50 EHAA CN(CCc1ccccc1)Cc1ccc(OC[C@H]2CCCNC2)cc1 299786088 MTAPRRBTCXIYLO-NRFANRHFSA-N 338.495 3.740 0 50 EHAA O=C(c1c[nH]nc1C1CCCCC1)N1CC[C@@H](Oc2ccccc2)C1 299786112 SUDFLXBAMFFEQW-QGZVFWFLSA-N 339.439 3.751 0 50 EHAA CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCCO2 332597558 MGLKJGSZAMGBTE-UHFFFAOYSA-N 331.437 3.683 0 50 EHAA Cc1cc(F)cc([C@]2(F)CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)C2)c1 337728805 VLZHWBJENUYFEF-BLVKFPJESA-N 347.409 3.675 0 50 EHAA CCCc1occc1C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 376207151 NIEWNFQBOSGIKQ-GUDVDZBRSA-N 339.435 3.877 0 50 EHAA Cn1cc([C@H](NCc2cccc3c2OC(F)(F)O3)C(C)(C)C)cn1 414373259 ZDIBTOCCSBRQQA-HNNXBMFYSA-N 337.370 3.619 0 50 EHAA C[C@H]1CNCCN1C(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1 426533765 IINVOBQTCAPQFM-ZDUSSCGKSA-N 348.368 3.806 0 50 EHAA CC(C)Oc1cncc(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)c1 439988049 CFYUOZLZZXDZRJ-UHFFFAOYSA-N 340.335 3.566 0 50 EHAA CCOc1ccccc1CCNC1CCN(CCC(F)(F)F)CC1 463164656 URVVQAXFSYCMNC-UHFFFAOYSA-N 344.421 3.634 0 50 EHAA CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccccc3F)n2)cc1 472382599 BVXCDNDZYMXBEL-GFCCVEGCSA-N 339.370 3.929 0 50 EHAA Cc1nc(NCc2cnc(C(F)(F)F)nc2)c2c(C)csc2n1 656204035 PAZNBKPYMGWGHP-UHFFFAOYSA-N 339.346 3.729 0 50 EHAA Cc1ccc([C@H](NC(=O)c2cc(C3CC3)nn2C)c2ccccn2)cc1 935744627 UBRNJNMQOZKKIR-FQEVSTJZSA-N 346.434 3.520 0 50 EHAA CC(C)c1nc(CNc2nc(-c3ccccc3)nc3c2CCC3)no1 952985861 FHKAJNGMDXWXAS-UHFFFAOYSA-N 335.411 3.751 0 50 EHAA CC(=O)NC(C)(C)C[C@H](C)NCc1nc2cc(C(C)(C)C)ccc2o1 1506418566 ZXGIMATXFIVAQZ-ZDUSSCGKSA-N 345.487 3.908 0 50 EHAA O=C(Cc1ccc(O)cn1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 1875293072 BGTCMYFTYYASCE-VAMGGRTRSA-N 336.435 3.515 0 50 EHAA O=C(NC1CC1)[C@@H]1CCCN1Cc1cccc(-c2ccccc2F)c1 2325719103 CYHDNGRMXVWRCZ-FQEVSTJZSA-N 338.426 3.736 0 50 EHAA O[C@H]([C@@H]1CCCN(c2ccc3c(F)ccc(F)c3n2)C1)C(F)(F)F 2325789488 SUPKTQVIGPALMA-RFAUZJTJSA-N 346.299 3.653 0 50 EHAA C[C@@]1(NCc2coc(-c3ccccc3C(F)(F)F)n2)CCC[C@@H]1O 2325798738 VALCAFSTQLOMSR-GOEBONIOSA-N 340.345 3.754 0 50 EHAA Nc1nnc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)s1 36123 FYNVCHDNXSKCJP-UHFFFAOYSA-N 339.445 3.667 0 50 EHAA Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 270127 BNQPNGXCAZGJRS-INIZCTEOSA-N 337.423 3.505 0 50 EHAA CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1 444262 IBSGVSSCESRHDH-ZDUSSCGKSA-N 329.421 3.983 0 50 EHAA Cc1ccc(O)c(NC(=S)NC(=O)c2cccc3ccccc23)c1 456558 OJLRJOVIQBYWGM-UHFFFAOYSA-N 336.416 3.981 0 50 EHAA CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2)c1 456756 DZUSXTKHBVMUMS-UHFFFAOYSA-N 328.437 3.817 0 50 EHAA CCOc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 466794 WMMVBLKLBWDSEX-UHFFFAOYSA-N 326.352 3.820 0 50 EHAA Cc1cc([C@H](C)NC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)c(C)s1 221870280 COUZVQIUMMAYFF-ITDIGPHOSA-N 336.457 3.830 0 50 EHAA c1nc(Nc2ccc(Cc3nnc4n3CCC4)cc2)c2sccc2n1 343205405 MBOABRWKCODSHR-UHFFFAOYSA-N 348.435 3.563 0 50 EHAA CCCn1cc(CN2CCC(c3ccccc3OC)CC2)c(C)n1 215937170 PFUXWVJUMIMVTP-UHFFFAOYSA-N 327.472 3.990 0 50 EHAA Cc1ccc(NC(=O)[C@H](C)N(Cc2c(C)nn(C)c2C)C(C)C)cc1 65385052 FLQCYPKIXBEQOA-KRWDZBQOSA-N 342.487 3.583 0 50 EHAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 248139988 PWVYSPKVLPAUFT-VQTJNVASSA-N 339.483 3.576 0 50 EHAA CCOc1ccccc1NC(=O)N1CCCC[C@@H]1CCn1cccn1 72143629 DZMMIGAXONRVQN-MRXNPFEDSA-N 342.443 3.759 0 50 EHAA Cc1cnccc1-n1nc(C2CC2)nc1[C@@H](C)n1cnc2ccccc21 65420965 SHWSUAWCEDPPOI-CQSZACIVSA-N 344.422 3.807 0 50 EHAA O=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccc(Cl)cc1 66888203 IEZWDQVBCFYDKB-UHFFFAOYSA-N 326.787 3.847 0 50 EHAA COc1ccc(Cc2noc([C@H]3OCC[C@H]3c3ccccc3)n2)cc1 328635753 VBCJIXZBDHUQKT-HKUYNNGSSA-N 336.391 3.914 0 50 EHAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCCC[C@@H]2c2ccnn2C)o1 253426755 OOXSSURAMUWYIH-RDTXWAMCSA-N 344.459 3.579 0 50 EHAA CC(C)Cn1cc(CN2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cn1 328593391 OOGHYNMDFYQIHA-MBOZVWFJSA-N 327.472 3.890 0 50 EHAA Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(F)cc1C(F)(F)F 155771591 CTLLDIVMCGYIGM-UHFFFAOYSA-N 340.276 3.504 0 50 EHAA S=C(NCCCCc1ccccc1)Nc1ccc2c(c1)OCO2 13323922 LITIYOAMTMJVRZ-UHFFFAOYSA-N 328.437 3.725 0 50 EHAA Cc1cc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cs1 72462867 JNIRPIOKMDEJAJ-UHFFFAOYSA-N 343.477 3.629 0 50 EHAA COc1ccc(CN2CCC[C@@H](COc3ccccc3F)C2)cc1O 72171365 ZGPAAKNIEPLRMI-MRXNPFEDSA-N 345.414 3.831 0 50 EHAA CO[C@@H]1CCC[C@@H](CC(=O)N2CCC[C@@H]2CC(=O)c2cccs2)C1 280080575 YAFJBNAJRIIFIM-BZUAXINKSA-N 349.496 3.907 0 50 EHAA O=C(CCOc1ccc(F)cc1)Nc1ccc2c(c1)CCCC(=O)N2 171251637 INBKRQKHDCQHPV-UHFFFAOYSA-N 342.370 3.508 0 50 EHAA CNc1ncc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)cn1 72473946 MBGPEIKOTBQNNL-UHFFFAOYSA-N 348.406 3.583 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)NCCc3scnc3C)c2c1 77297836 RWCOOPSXWFCQGD-UHFFFAOYSA-N 339.464 3.897 0 50 EHAA Cc1nc(-c2cccc(C(=O)N[C@H]3CCc4cc(F)ccc43)c2)no1 172799750 USCIFFSYJYHMCH-KRWDZBQOSA-N 337.354 3.601 0 50 EHAA CCOc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 17068130 ZKLRGUYXPUFVHU-UHFFFAOYSA-N 331.460 3.568 0 50 EHAA O=C(NCCC1CCCC1)N(Cc1ccncc1)Cc1ccco1 426428795 OSNJWCHLZDZCHG-UHFFFAOYSA-N 327.428 3.967 0 50 EHAA Cc1ccccc1OC1CN(C(=O)c2cc3c(C)cccc3n2C)C1 92107662 QIJNUSMQMLKZAR-UHFFFAOYSA-N 334.419 3.699 0 50 EHAA Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cc[nH]n2)c1 20998586 QJGSLCUCLZKJIC-OAQYLSRUSA-N 344.418 3.744 0 50 EHAA Cc1ccccc1CN(C(=O)NCc1nccn1C)C1CCCCC1 426358936 GICFIMAKTXXSAU-UHFFFAOYSA-N 340.471 3.773 0 50 EHAA C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 257357470 OFWWSHNAQHDEIN-CONVZWBNSA-N 334.500 3.566 0 50 EHAA O=C(O)C[C@@H]1CCCN(Cc2cccc(OCC(F)(F)F)c2)CC1 299746767 ZRAUEYZYRKNBBH-CYBMUJFWSA-N 345.361 3.705 0 50 EHAA COc1cccc([C@H]2CCCN2C(=O)c2ccnc(C(C)C)n2)c1 299785478 RVAAXRGOODGAOO-QGZVFWFLSA-N 325.412 3.586 0 50 EHAA Cc1cccnc1[C@@H](NC(=O)CCc1ccc(F)c(F)c1)C1CC1 299765292 DZICPUJYJDYMSE-IBGZPJMESA-N 330.378 3.868 0 50 EHAA Cc1cc(NC(=O)N(C)CCCc2nccn2C)c(Cl)cc1F 299802046 WCHAYXXLUUPEBC-UHFFFAOYSA-N 338.814 3.618 0 50 EHAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)nc1 299788891 VIRMKFXIHIYOGG-HNNXBMFYSA-N 347.850 3.717 0 50 EHAA CC(=O)Nc1ccc(-c2noc(C[C@H]3CCO[C@H](C(C)C)C3)n2)cc1 273817309 XHRSMRMTDZFMHJ-YOEHRIQHSA-N 343.427 3.689 0 50 EHAA CCN(C(=O)c1cc(NC(=O)Nc2cc[nH]n2)ccc1Cl)C(C)C 278376402 AIXHVJNLRKRQSZ-UHFFFAOYSA-N 349.822 3.578 0 50 EHAA Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C1SCCS1 278407852 HBEGSXVPJXUPCO-UHFFFAOYSA-N 345.902 3.547 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1OC 149636 KVAJZWVSWKYCCB-OUKQBFOZSA-N 325.364 3.524 0 50 EHAA O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)o1 339535 DXEGYHYXEIIENQ-UHFFFAOYSA-N 335.201 3.895 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3scc4c3CCCC4)C[C@H]2C1 1529099897 GSUXSFUMGQQJBR-WNKDZCFJSA-N 346.540 3.818 0 50 EHAA Cc1cc(N[C@@H]2CCCCNC2=O)c2ccc(C(F)(F)F)cc2n1 1704350461 JVXYUKVDWIJHIM-CYBMUJFWSA-N 337.345 3.643 0 50 EHAA Cc1ccccc1[C@H](CC(=O)NCCc1cnccn1)c1ccccc1 11840146 IQVCWZHRFLQPMT-OAQYLSRUSA-N 345.446 3.666 0 50 EHAA CCOC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CCCC2 16580104 SVILBNIXUJLAPH-UHFFFAOYSA-N 348.424 3.661 0 50 EHAA COc1ccc(-c2c(C)sc3[nH]c(=S)[nH]c(=O)c23)cc1OC 17778739 JOHLXVNHJONFDU-UHFFFAOYSA-N 334.422 3.640 0 50 EHAA Cc1cc2c(cn1)CN(C(=O)c1ccc3[nH]c4c(c3c1)CCCC4)C2 1857686906 HKAXPWWCIBAJTA-UHFFFAOYSA-N 331.419 3.906 0 50 EHAA CCCC[C@@H]1CN(c2nc(-c3ccccc3)no2)C[C@H](C2CC2)O1 1857713285 SOLAGKOFQDNKAS-IAGOWNOFSA-N 327.428 3.911 0 50 EHAA C[C@H]1COC[C@H]2CN(Cc3ccc(C4CCCCC4)s3)CCN12 1875250514 HGBHGKLGSGNKCA-DOTOQJQBSA-N 334.529 3.701 0 50 EHAA COc1ccc(-c2noc(-c3cnc([C@@H]4CCCO4)s3)n2)cc1 131969617 PMMXTVQOPKIMNQ-LBPRGKRZSA-N 329.381 3.720 0 50 EHAA CC(C)(C)[C@@H]1CCCN(C(=O)c2cnc(O)c(C(F)(F)F)c2)C1 935769833 QRXWQRANBZNBQQ-LLVKDONJSA-N 330.350 3.704 0 50 EHAA O=C(O)C[C@H]1CCCN(Cc2cc(Br)ccc2F)CC1 299744639 PNYRSNCWVPMKCJ-NSHDSACASA-N 344.224 3.665 0 50 EHAA Cc1c[nH]c2ncc(C(=O)N(C)Cc3nc4ccccc4s3)cc12 2325872008 DNTNUWCHLMGVEO-UHFFFAOYSA-N 336.420 3.753 0 50 EHAA CCc1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)s1 97677 XKBNLNVOSJFGRQ-UHFFFAOYSA-N 332.212 3.668 0 50 EHAA COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 384629 CGFZTVVNFYMMTG-AWEZNQCLSA-N 333.453 3.858 0 50 EHAA CCOc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 437719 UTBDVNWZTNDVJV-UHFFFAOYSA-N 344.842 3.701 0 50 EHAA O=C(NCc1nc(-c2ccccc2)no1)c1ccc2ccccc2c1 1069509 MPBSDPYZXPQJNY-UHFFFAOYSA-N 329.359 3.820 0 50 EHAA COc1ccc(-c2nn(Cc3ccccc3F)cc2C=O)cc1OC 2558250 OEHUYSSVTGORJE-UHFFFAOYSA-N 340.354 3.567 0 50 EHAA O=C1C[C@@H](c2ccco2)Cc2nc(NCc3ccc(F)cc3)ncc21 4721950 JXQYYKJSIYFZQU-ZDUSSCGKSA-N 337.354 3.734 0 50 EHAA COc1cc(CNC(C)C)cc(Br)c1OCC(C)C 4867543 LGBSNUBGSOOQLZ-UHFFFAOYSA-N 330.266 3.991 0 50 EHAA C[C@H](Oc1ccc2c(c1)CCC2)c1n[nH]c(=S)n1C[C@H]1CCCO1 6007608 VLWBWDSGBHRCNU-BLLLJJGKSA-N 345.468 3.748 0 50 EHAA CS(=O)(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 6730176 NPHORDLDVBWEEH-CYBMUJFWSA-N 340.857 3.512 0 50 EHAA CSc1ccc(CN2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1 11880080 ITRQGXROCUVSLP-HNNXBMFYSA-N 332.513 3.679 0 50 EHAA CCOc1ccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc1 15839626 QVDGOZRFDWLYII-HXUWFJFHSA-N 332.403 4.000 0 50 EHAA Cc1cccc(-c2cccc(-c3ccn(Cc4noc(C)n4)n3)c2)n1 19640923 IXRNOWJTIWRTQK-UHFFFAOYSA-N 331.379 3.660 0 50 EHAA OCC1CCN([C@H]2CCCN(Cc3cc4ccccc4s3)C2)CC1 19792850 PIXGWHSTYZZFJR-SFHVURJKSA-N 344.524 3.570 0 50 EHAA COc1ccc(OC)c(CN2CCN(C3CCCCCC3)CC2)c1 19842218 VECYEWFWYAZMIJ-UHFFFAOYSA-N 332.488 3.544 0 50 EHAA COc1ccc(-c2nc3c(cnn3[C@H](C)C(C)C)[nH]2)cc1CN(C)C 20210779 NVMGFCLMRBIECK-CYBMUJFWSA-N 341.459 3.714 0 50 EHAA O=C(CCC(=O)c1ccc(F)cc1)Nc1ccnn1C1CCCC1 60953549 BWBBPFYTDMOZTE-UHFFFAOYSA-N 329.375 3.739 0 50 EHAA CC(=O)N1CCCC[C@H]1C1=CCCN(CCCc2ccccc2)C1 65492855 QIFDKOFUEIJTHG-NRFANRHFSA-N 326.484 3.652 0 50 EHAA Clc1ccc(-c2nccn2Cc2nc(-c3cccnc3)no2)s1 71762688 LHNWADFUZSACSK-UHFFFAOYSA-N 343.799 3.758 0 50 EHAA O=C1CC[C@]2(CCCO2)CCN1Cc1ccc(C(F)(F)F)c(F)c1 72122313 ARFCILRIRADURD-MRXNPFEDSA-N 345.336 3.906 0 50 EHAA CCCc1cc(N(C)Cc2ccc3ccccc3n2)n2nccc2n1 72158474 GJEBTMZRYXUZIV-UHFFFAOYSA-N 331.423 3.866 0 50 EHAA Cc1cccc(C(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)c1O 72162049 NJZTXCNBSFPKFN-MRXNPFEDSA-N 328.387 3.556 0 50 EHAA O=C(c1ccc([C@H]2CCCN2)s1)N1CCC(c2ccncc2)CC1 77303479 HFIYEIQHWAXZSK-MRXNPFEDSA-N 341.480 3.587 0 50 EHAA Cc1cccc2[nH]c([C@@H]3CCCN3C(=O)c3cc(C(C)C)on3)nc12 82098246 HXBAKKSEFZHQCG-HNNXBMFYSA-N 338.411 3.960 0 50 EHAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1OC 82138389 LWOZQBSCQLXYLW-AWEZNQCLSA-N 325.836 3.770 0 50 EHAA Cc1ccc([C@H](NC(=O)c2cc(C(C)C)nn2C)c2ccncc2)cc1 82171012 QTENRBGHEKPYIS-FQEVSTJZSA-N 348.450 3.766 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2cccc(C)c2C)C1 91625625 RIKNBHQUMBNOEX-MRXNPFEDSA-N 326.444 3.931 0 50 EHAA Cc1ncc(-c2c(-c3ccccc3)ncn2CCCCC(=O)O)cn1 91780346 IDWYTLKQNQZYJA-UHFFFAOYSA-N 336.395 3.570 0 50 EHAA O=C(c1ccccc1OC1CCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 121618703 CGJTVVDNQMGCOV-IERDGZPVSA-N 343.467 3.775 0 50 EHAA Cc1ccc(N(C)C(=O)C2CC=CC2)cc1N(C)C(=O)C1CC=CC1 156969628 NUQLFLVYOZXPPN-UHFFFAOYSA-N 338.451 3.853 0 50 EHAA CCn1ccnc1-c1cccc(NC(=O)c2ccc3c(c2)CCO3)c1 157023107 KOTQMXANJAEYEI-UHFFFAOYSA-N 333.391 3.757 0 50 EHAA O=C(Nc1nc2c(s1)COCC2)N1CC=C(c2cccs2)CC1 172258568 AVQYGVVBWKNXGB-UHFFFAOYSA-N 347.465 3.599 0 50 EHAA Cc1cccc(N2CCC(N[C@@H](C)c3ccc4c(c3)CCO4)CC2)n1 178418346 OEHRTOUMWJFOPQ-INIZCTEOSA-N 337.467 3.645 0 50 EHAA Cc1ccc(CNc2ccccc2CN2CCC(CO)CC2)c(C)n1 184432057 SSJVBYOTMGDGQN-UHFFFAOYSA-N 339.483 3.515 0 50 EHAA C[S@](=O)c1ccc(NC(=O)N2Cc3ccccc3C3(CC3)C2)cc1 187352436 NSEMENVSFJEXIK-DEOSSOPVSA-N 340.448 3.503 0 50 EHAA Cc1cc([C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)ccc1F 221040166 VVAKZLAABFIUDS-ZFWWWQNUSA-N 337.391 3.702 0 50 EHAA CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@H](c2cccc(F)c2)NC(=O)N1 239425910 VLLWMLBBFICXTL-JGFGOQIWSA-N 346.402 3.576 0 50 EHAA O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1[C@H]2CCCC[C@H]21 247450892 ZUYUSXFBIXWYCD-IWIIMEHWSA-N 339.189 3.732 0 50 EHAA Brc1cccc(OCCn2ccc(-c3ccccn3)n2)c1 253428060 HTCIIRISJMYCCK-UHFFFAOYSA-N 344.212 3.787 0 50 EHAA CC(=O)[C@]1(O)[C@@H](C)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253500265 RGHGKGRVFXQGOV-AMWSRMENSA-N 348.527 3.956 0 50 EHAA CN1CC[C@@H](CNC/C=C/c2ccc(F)cc2)[C@@H]1c1cccnc1 328641559 QOTPBUBTKUWBBM-LSMJRDBZSA-N 325.431 3.517 0 50 EHAA CCC1(CC)[C@@H](NC(=O)c2cc(C)oc2C(F)(F)F)C[C@@H]1OC 331823031 WRSGFUQWJJUBTM-RYUDHWBXSA-N 333.350 3.930 0 50 EHAA Cc1oc(-c2ccccc2)nc1CCN[C@H]1[C@@H]2CCO[C@@H]2C1(C)C 365491852 LKIPKVYVPNKQPG-SZMVWBNQSA-N 326.440 3.596 0 50 EHAA Cn1cc(CCC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cn1 408520304 LFHRFQFELKFKBC-UHFFFAOYSA-N 347.724 3.543 0 50 EHAA CC(C)[C@H]1N(C(=O)Cc2c[nH]c3cc(F)ccc23)CC12CCOCC2 412758258 RWXXSJRZLAAUHK-LJQANCHMSA-N 344.430 3.513 0 50 EHAA COc1cccc(C)c1NC(=O)N1C[C@@H](C(F)(F)F)OC(C)(C)C1 455278783 FHUWOOQUNGVBAB-LBPRGKRZSA-N 346.349 3.577 0 50 EHAA Cc1nc2c(s1)[C@@H](NC(=O)c1cc(Cl)nc(Cl)c1)CCC2 780002524 ZASIRXCOWIMUCV-JTQLQIEISA-N 342.251 3.961 0 50 EHAA Cc1nc([C@H]2CCCN2c2cnc3cc(Cl)ccc3n2)[nH]c1C 895195995 HEPYRKGJZNEDRB-OAHLLOKOSA-N 327.819 3.965 0 50 EHAA O=C(O)[C@@H]1CCO[C@H]1c1cncc(-c2cccc(OC(F)F)c2)c1 901099785 PMUIVAWGLBPEHJ-CABCVRRESA-N 335.306 3.512 0 50 EHAA CCOc1cc(-c2nnc([C@H]3CCCO3)o2)cc(OCC)c1OCC 952988934 RPPVLITVZIPZNJ-CYBMUJFWSA-N 348.399 3.784 0 50 EHAA COCC[C@H]1CCN(C(=O)c2occ3c2CCOC3)c2ccccc21 1337891827 JGDBWBJMKXPFKL-CQSZACIVSA-N 341.407 3.523 0 50 EHAA CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)[C@]13CCCC[C@H]1C3)C2 1775990129 CWRILCUGPHTMIX-CURYNPBISA-N 346.515 3.643 0 50 EHAA CCCN(C(=O)c1nc2ccccn2c1C)C1Cc2ccccc2C1 1857729970 LDELYAYCXSISTJ-UHFFFAOYSA-N 333.435 3.662 0 50 EHAA O=C(NCC1CCC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857737772 CDBKWNCDUSHZAC-CYBMUJFWSA-N 347.846 3.614 0 50 EHAA OC[C@H]1CC[C@H](Cn2ccnc2-c2ccc(OC(F)F)cc2)CC1 1857741406 QSXWFDZEXLZTFG-HDJSIYSDSA-N 336.382 3.950 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)C[C@H](C2CC2)O1 1875244958 CXPAASSMOQJMKJ-RTBURBONSA-N 330.472 3.562 0 50 EHAA C[C@H](NC(=O)Cc1ccc2n[nH]cc2c1)c1cc2cc(F)ccc2o1 1875262173 DCBIPDXNVYUXEE-NSHDSACASA-N 337.354 3.868 0 50 EHAA CC1=C(C(=O)N2CCC[C@@H]([C@H]3CCN(C(=O)CC(C)C)C3)C2)CCC1 1875358473 XNDBXRQJORLVNN-MSOLQXFVSA-N 346.515 3.620 0 50 EHAA Cc1ccc(N2CCC[C@@H](NCc3cc(-c4ccncc4)n[nH]3)C2)cc1 2325773952 HPSOSYIGXKANIX-GOSISDBHSA-N 347.466 3.539 0 50 EHAA COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 127504 NJWZQGMSLYTRAH-UHFFFAOYSA-N 336.347 3.793 0 50 EHAA CCn1c(C)nc2c(Br)c(O)c(Br)cc21 441203 HJEAYFSKUJOYJZ-UHFFFAOYSA-N 334.011 3.595 0 50 EHAA CCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C 528329 XDDVYFWYGQOTIA-UHFFFAOYSA-N 344.436 3.597 0 50 EHAA COc1cc(NC(=S)Nc2ccc(C(C)=O)cc2)cc(OC)c1 612036 YPODSICEACTIHK-UHFFFAOYSA-N 330.409 3.715 0 50 EHAA COc1cccc(C(=O)Oc2cc(C)cc3oc(=O)c(C)c(C)c23)c1 1062000 XRSCALFDSBHUQA-UHFFFAOYSA-N 338.359 3.946 0 50 EHAA biogenic CCCOc1ccc(C(=O)N[C@H](C)Cc2ccccc2)cc1OC 4856742 BVQPGBQVSNZFDO-OAHLLOKOSA-N 327.424 3.845 0 50 EHAA biogenic Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)O)cc1 4858071 SLKYRQVJTUUSMY-HNNXBMFYSA-N 342.420 3.599 0 50 EHAA Cc1c(NC(=O)NCc2nnc(C3CC3)o2)cccc1C(F)(F)F 225740059 LAPOSUPMXWKJGX-UHFFFAOYSA-N 340.305 3.596 0 50 EHAA CCCCC(=O)Nc1ccc(NC(=O)CC[C@H]2CCCN(C)C2)cc1 55166242 NJTOCDAMRJYISW-MRXNPFEDSA-N 345.487 3.876 0 50 EHAA O=C1c2ccccc2C(=O)N1CCc1scnc1-c1ccccc1 170623619 PKUIBXLBYUWVQU-UHFFFAOYSA-N 334.400 3.649 0 50 EHAA C[C@@H](CO)CN(Cc1ccccc1)C(=O)c1cccc2cccnc12 55037069 PGZOOHCMHQMQAT-MRXNPFEDSA-N 334.419 3.506 0 50 EHAA C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]12 101362882 KSUFHQNWJXXNHA-YHDSQAASSA-N 345.398 3.577 0 50 EHAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC(O)CC1 67895806 HIGARFWVIJEDOE-UHFFFAOYSA-N 340.345 3.626 0 50 EHAA CCc1cc([C@@H]2CCCN2C(=O)Nc2cc(OC)ccc2OC)on1 64985044 QQVYHGGVGRWZDZ-HNNXBMFYSA-N 345.399 3.623 0 50 EHAA Cc1cc(NCc2cn[nH]c2-c2cccs2)nc(-c2cccnc2)n1 67920994 YUKPLZOUGYYYHP-UHFFFAOYSA-N 348.435 3.911 0 50 EHAA Cc1nc(-c2ccccc2)c(C(=O)N(C)Cc2snnc2C)s1 65419155 PLEXLPKFTCODDM-UHFFFAOYSA-N 344.465 3.551 0 50 EHAA Cc1c(C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)cnn1C1CCCC1 138227784 UFHBKHGTEJJAEO-OAHLLOKOSA-N 346.519 3.547 0 50 EHAA Cc1cc(C(=O)N(C)CC[C@@H]2CCCCO2)c2cccc(C)c2n1 63832520 VICKKZAYFVSFGU-INIZCTEOSA-N 326.440 3.883 0 50 EHAA COC(=O)CCCn1cnc(-c2ccccc2)c1-c1ccc(O)cc1 65526773 NMAVBWSGVVKAAH-UHFFFAOYSA-N 336.391 3.876 0 50 EHAA CC(=O)Nc1cccc(CNC(=O)Nc2ccc(C3CC3)c(F)c2)c1 252498190 QWHKZYAYSFDCGP-UHFFFAOYSA-N 341.386 3.983 0 50 EHAA CCN(C)C[C@H]1CCN(C(=O)c2ccccc2NC2CCCCC2)C1 253418111 DZRFDDVEXCKCPB-QGZVFWFLSA-N 343.515 3.845 0 50 EHAA O=C(O[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)C(=O)O[C@H]31)c1cc2c(s1)CCCCCC2 253424709 JVSIJTFXJMUGLM-RAZVHJQOSA-N 346.448 3.514 0 50 EHAA c1cc(CN2CCC[C@@H](c3ncn[nH]3)C2)cc(OC2CCCC2)c1 215565972 BDHVQGKNDWWYSY-MRXNPFEDSA-N 326.444 3.506 0 50 EHAA O=C(c1cc[nH]c1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 72479556 SZCZHLHOFQQPPV-OAQYLSRUSA-N 337.467 3.533 0 50 EHAA O=C(O[C@H](c1ncccn1)C1CCCC1)c1noc2c1CCCCC2 159029639 STXKKTKSZVWICE-KRWDZBQOSA-N 341.411 3.822 0 50 EHAA COc1cc(C)cc(OC)c1-c1nccc(CCC(F)(F)F)n1 71760039 PHSFZCPBWRBBHK-UHFFFAOYSA-N 326.318 3.964 0 50 EHAA CCc1noc(C2CCC(NCc3nnc(C(C)(C)C)s3)CC2)n1 241383166 MSZOZFDZDDEFSG-UHFFFAOYSA-N 349.504 3.597 0 50 EHAA C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 241961272 UQVWSSZCZYTUNH-QSJFSLAZSA-N 346.471 3.589 0 50 EHAA O=C(c1ccc(-c2ccccc2)cc1)N1CC2(CCC2)[C@@H]2COC[C@H]21 458010761 QWJKBPAIMIQEGR-WOJBJXKFSA-N 333.431 3.995 0 50 EHAA COc1ncc(C)cc1NC(=O)c1ccc(F)cc1Br 173530538 FLAIDMPUGUEODR-UHFFFAOYSA-N 339.164 3.553 0 50 EHAA CCCO[C@H]1CCCN(C(=O)c2ccc(-c3ccncc3F)cc2)C1 426666973 JWUYUXXINDGXET-KRWDZBQOSA-N 342.414 3.919 0 50 EHAA Cn1ccnc1CC[C@H]1CCCCN1C(=O)CCCc1cccs1 82099707 SUPZXUHLHXUUKX-MRXNPFEDSA-N 345.512 3.818 0 50 EHAA O=C(Cc1cccc(Cl)c1)N1CCCC[C@@H]1CCn1ccnc1 82108766 KGAZTZOLGFDPGV-QGZVFWFLSA-N 331.847 3.550 0 50 EHAA c1cn(CC2CC2)c([C@H]2CCCN(c3ncnc4sccc34)C2)n1 82137173 QDCDNTYHMQJLQW-AWEZNQCLSA-N 339.468 3.682 0 50 EHAA CCSCCN(C(=O)c1c(C)cc(C)[nH]c1=O)C1CCCCC1 91951977 AIWKHNKMRIBHKF-UHFFFAOYSA-N 336.501 3.520 0 50 EHAA CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccc(C(F)(F)F)cc1 95743481 KOEWZHJZHRVSCS-CYBMUJFWSA-N 330.350 3.587 0 50 EHAA CN1CCC[C@@H](CCC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1 95391059 CDNMXHHAYCVCBN-HNNXBMFYSA-N 344.430 3.824 0 50 EHAA Cc1nc2ccc(NC(=O)N(C)[C@@H](C)Cc3ccccn3)cc2nc1C 95529009 RJWJVACUAAMNBV-ZDUSSCGKSA-N 349.438 3.737 0 50 EHAA c1ccc(-c2ccnc(NCCOc3cccc4cccnc34)n2)nc1 97569047 JODSZNOLZDETRU-UHFFFAOYSA-N 343.390 3.578 0 50 EHAA C[C@@H]1CN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@@]1(O)C1CC1 91829608 OPJYXHJYSUIYRM-SZNDQCEHSA-N 339.410 3.726 0 50 EHAA CC[C@H](C)c1ccc(NC(=O)CN(C)CCC2(O)CCCC2)cc1 243893729 ATIXJFCQRRPSOF-INIZCTEOSA-N 332.488 3.766 0 50 EHAA O=C(C[C@@H]1CCCOC1)N1CCC(Oc2ccc(Cl)cc2)CC1 299768195 HVZFDPMZXZKSMV-AWEZNQCLSA-N 337.847 3.527 0 50 EHAA Cc1nnc(SCCNCc2ccc([C@@H]3CCCCO3)o2)s1 952868887 IPTMWGAUDFFRMX-ZDUSSCGKSA-N 339.486 3.563 0 50 EHAA Cc1cc(C)nc(CN(C)C(=O)CCCOCc2ccccc2)c1 952963984 KMOXPLPVZBWEOP-UHFFFAOYSA-N 326.440 3.654 0 50 EHAA CCOc1ccc(N(CC)C(=O)c2ccnc(Br)c2)cc1 268188456 ZCPHNQMACLUHLQ-UHFFFAOYSA-N 349.228 3.910 0 50 EHAA O=C1N(Cc2ccccc2F)CCC[C@]12CCN(C1CCCC1)C2 11844114 RCEBQBSJLHDSMD-HXUWFJFHSA-N 330.447 3.583 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 12138802 RGVVWECLDRISKL-CQSZACIVSA-N 326.396 3.750 0 50 EHAA O[C@@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1ccco1)CCO2 14989998 NCWWYZXPKWCEKA-NRFANRHFSA-N 349.430 3.950 0 50 EHAA O=C(c1ccccc1OC1CCN(C2CCC2)CC1)N1CCCCC1 15066176 VUMRKOIDFCOEKJ-UHFFFAOYSA-N 342.483 3.708 0 50 EHAA Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)ccc1Br 402028 GBXVFMOXCSZQBR-RYUDHWBXSA-N 340.217 3.587 0 50 EHAA COc1ccccc1Nc1ncccc1C(=O)NCc1ccccc1 5028100 BEKWDQJRCXQUDF-UHFFFAOYSA-N 333.391 3.764 0 50 EHAA CCc1ccc(CN[C@@H](c2nc(C(C)C)no2)C2CCOCC2)o1 328622928 ITUDLCBSPXXPBN-MRXNPFEDSA-N 333.432 3.606 0 50 EHAA C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@H](C(C)(C)C)c2ccccc21 331533612 OOIRJMYOUWNQLI-BBRMVZONSA-N 340.423 3.574 0 50 EHAA CCCc1ncc(CNC(=O)[C@H](C)c2cn(C)c3ccccc23)o1 456521846 QIALHUYOBJNFGY-CYBMUJFWSA-N 325.412 3.539 0 50 EHAA Cc1nc(CC(C)C)oc1C(=O)NCCc1c[nH]c2cccc(C)c12 252485789 HEJGCAISIBGYNN-UHFFFAOYSA-N 339.439 3.944 0 50 EHAA CC(=O)c1ccc(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)nc1 253385550 SZKILDZSIGEIGU-RTWAWAEBSA-N 346.430 3.792 0 50 EHAA CC(C)OC1CN(C(=O)Nc2cccc(COCc3ccco3)c2)C1 874435118 LVNFHGGUAQASLA-UHFFFAOYSA-N 344.411 3.638 0 50 EHAA CC(C)(C)n1cnc(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)n1 1875266315 BRJKIOGMMNNYIL-UHFFFAOYSA-N 337.305 3.769 0 50 EHAA O=C(O[C@@H](Cn1cncn1)c1ccccc1)c1ccc2c(c1)CCC=C2 2325710624 LUDJJSZKUUAGEN-FQEVSTJZSA-N 345.402 3.836 0 50 EHAA Nc1ccc(F)cc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325782350 RGRUCEJBSLMQIF-UHFFFAOYSA-N 348.805 3.745 0 50 EHAA O=C(Nc1nccc([C@H]2CCCCN2)n1)c1cccc2ccccc12 2325800425 GHTSRCWUHTUOKR-QGZVFWFLSA-N 332.407 3.697 0 50 EHAA COc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 272937 XHKCNRXXGCNBHZ-UHFFFAOYSA-N 332.208 3.803 0 50 EHAA COc1ccccc1N1CCN(C(=S)Nc2ccc(C)cc2)CC1 299382 GRGSNSBEFLLLGT-UHFFFAOYSA-N 341.480 3.523 0 50 EHAA Cc1cc(NC(=O)CSc2ccccn2)ccc1Br 401158 HUJYEKJOWIIOTC-UHFFFAOYSA-N 337.242 3.883 0 50 EHAA O=C1c2ccccc2OCC12COC(c1ccc(Cl)cc1)OC2 1391202 SIXQHZUEGOMXNH-UHFFFAOYSA-N 330.767 3.647 0 50 EHAA FC(F)(F)c1nnc2sc(Cc3cccc4ccccc34)nn12 2242392 MICPGQGJHJSEPR-UHFFFAOYSA-N 334.326 3.949 0 50 EHAA O=S(=O)(NCCCc1ccccc1)c1ccc2ccccc2c1 2826439 URPVKDDMTVTZRK-UHFFFAOYSA-N 325.433 3.751 0 50 EHAA C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@@]1(O)CCc1ccoc1 3881917 HQLLRHCTVDVUJB-CMAZPZDOSA-N 332.440 3.721 0 50 EHAA biogenic O=C(Nc1ccc(N2CCOCC2)cc1)C12CC3CC(CC(C3)C1)C2 3893596 MGXKWIVDYHTYEP-UHFFFAOYSA-N 340.467 3.678 0 50 EHAA COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CCCC2 4646487 DVWQEYRBBXITCB-UHFFFAOYSA-N 345.420 3.674 0 50 EHAA O[C@H](COc1c(Cl)cc(Cl)cc1Cl)CN1CCCCC1 4819516 PARURLGTYFRKCK-NSHDSACASA-N 338.662 3.872 0 50 EHAA Cc1ccc(NC(=O)COCc2cc(-c3cccs3)on2)cc1 6876491 JOFCMQXXHVRVQN-UHFFFAOYSA-N 328.393 3.867 0 50 EHAA C[C@H]1CCc2nc(NC(=O)c3cc4ccccc4oc3=O)sc2C1 9165775 NOQBWCKRGXMBFL-JTQLQIEISA-N 340.404 3.627 0 50 EHAA COCc1ccc(CN2CCC[C@H](C(=O)c3cccc(OC)c3)C2)o1 12576776 POXORRCGADFZDP-INIZCTEOSA-N 343.423 3.530 0 50 EHAA Fc1ccc(F)c(CN2CCN(C/C=C/c3ccccc3)CC2)c1 19609039 RNGHKJNQYCKHGN-QPJJXVBHSA-N 328.406 3.796 0 50 EHAA CCC(C)(C)c1nnc(NC(=O)N(C)[C@@H](C)c2ccccn2)s1 20513679 WTDTXWPELQBHCB-NSHDSACASA-N 333.461 3.846 0 50 EHAA CSc1ccc(CN(C(=O)Cn2nc(C)c(C)c2C)C2CC2)cc1 55310049 CWBXIXCVELFGAR-UHFFFAOYSA-N 343.496 3.721 0 50 EHAA CCn1nc(C)c(CN2CC[C@]3(CCCN(CC4CCC4)C3)C2)c1C 67676493 JBTRDMFLECMCAB-NRFANRHFSA-N 344.547 3.608 0 50 EHAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]c2=O)C1 77517861 IIHHISHOIAUGHT-QGZVFWFLSA-N 346.430 3.856 0 50 EHAA CCCc1noc([C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n1 91846335 GLIXTCCEYMCHJS-AWEZNQCLSA-N 347.846 3.624 0 50 EHAA CCN(CC)CCOC(=O)COC(c1ccccc1)c1ccccc1 96026571 FMUPVYOVZZUQIS-UHFFFAOYSA-N 341.451 3.678 0 50 EHAA CSCc1noc([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 96150620 SEVUIKLBAJIRFK-ZDUSSCGKSA-N 331.441 3.577 0 50 EHAA Cc1cc(C(=O)CN2CCC(NC3CCCC3)CC2)c(C)n1C1CC1 111300779 OLXQPOUWDRGQQO-UHFFFAOYSA-N 343.515 3.619 0 50 EHAA Cc1c(CCC(=O)N2Cc3ccccc3-c3ccccc3C2)cnn1C 125804009 XBPZJAFRVKZEDZ-UHFFFAOYSA-N 345.446 3.871 0 50 EHAA Cc1sc(CCNC(=O)c2cncc(F)c2)nc1-c1ccccc1 131378556 ALZLMLVIQQFHGH-UHFFFAOYSA-N 341.411 3.625 0 50 EHAA CCCn1c(C)nnc1CN1CCC(c2nc3ccccc3o2)CC1 153041447 RAUNVHNQVUODNS-UHFFFAOYSA-N 339.443 3.517 0 50 EHAA O=C(Nc1ccc2cc[nH]c2c1)N1CCO[C@@H](c2ccc(F)cc2)C1 194230847 NZCBMGHNBVWZLT-GOSISDBHSA-N 339.370 3.912 0 50 EHAA COc1cc(SC)c(OC)cc1CN(C)Cc1c(C)noc1C 216010395 HWCURWVXEJYASQ-UHFFFAOYSA-N 336.457 3.663 0 50 EHAA CCCc1noc([C@@H](C)N2CCC[C@@H](n3cnc4ccccc43)C2)n1 229272255 RKZNJJYQGWZSTJ-HUUCEWRRSA-N 339.443 3.770 0 50 EHAA Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 239433363 XOMQACYEAINUNL-ZUWCUPBKSA-N 343.393 3.712 0 50 EHAA C[C@H](NC(=S)N1CCN(C)C[C@H]1c1ccccc1)c1ccccc1 240244240 DLDFMJYRYMZPIK-LPHOPBHVSA-N 339.508 3.611 0 50 EHAA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@H]1C=C[C@H]2C12CC2 244719199 LYQGQFOGIJZQNF-MHWZDGSBSA-N 334.202 3.695 0 50 EHAA CCS[C@H](C)c1noc(CN(C)C(=O)N2[C@H](C)CCC[C@H]2C)n1 252510808 BVSMVCVSKOYMRO-JHJVBQTASA-N 340.493 3.698 0 50 EHAA O=C(O)c1ccccc1CC1CCN(C(=O)[C@H]2Cc3ccccc32)CC1 263177257 ZGTXTJWPBNESBA-FQEVSTJZSA-N 349.430 3.506 0 50 EHAA Cc1ccccc1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1 276012676 QPVYQMOCWCMKPO-FOIQADDNSA-N 339.439 3.695 0 50 EHAA CCCC(=O)Nc1cccc(NC(=O)N2CCC(F)(F)CC2)c1 299762630 XWTSEIJWDOTKBU-UHFFFAOYSA-N 325.359 3.688 0 50 EHAA CNc1ncc(CN(C)C(=O)Nc2ccc(C)c(C(C)C)c2)cn1 299762927 DKLNXPWYICCNNE-UHFFFAOYSA-N 327.432 3.614 0 50 EHAA COc1ccccc1CCC(=O)N[C@H](CC(C)C)c1cccnc1 299765107 VVTRYLYNZGSJJG-GOSISDBHSA-N 326.440 3.926 0 50 EHAA Cc1n[nH]c([C@@H]2CCCN(C(=O)Nc3ccc4oc(C)cc4c3)C2)n1 299776430 BOBCVNNIRMIOBS-CYBMUJFWSA-N 339.399 3.579 0 50 EHAA O=C1CCCc2cc(NCc3ccn(-c4ccccc4)n3)ccc2N1 358521644 XYIMKFRSVPSCIJ-UHFFFAOYSA-N 332.407 3.759 0 50 EHAA C[C@H](CC(=O)N1CC[C@H](N)C[C@H]1C)c1cccc(C(F)(F)F)c1 408519229 YBIDRYLDGYOMOP-JMSVASOKSA-N 328.378 3.537 0 50 EHAA CCCO[C@@H]1CCCN(C(=O)c2ccc(-c3ccncc3F)cc2)C1 426666974 JWUYUXXINDGXET-QGZVFWFLSA-N 342.414 3.919 0 50 EHAA COC[C@H](C)NC(=O)N(Cc1cccc(OC)c1)C1CCCCCC1 426668974 ISFCWQXOQSHTJR-INIZCTEOSA-N 348.487 3.965 0 50 EHAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1ccc(O)c(F)c1 622314991 LGXBBDMGADUJOZ-UHFFFAOYSA-N 341.304 3.751 0 50 EHAA Cc1nc([C@H]2CCCCN2C(=O)c2ccccc2)n(C(C)(C)C)n1 670447594 MVUDHYSKGOJBMM-MRXNPFEDSA-N 326.444 3.709 0 50 EHAA CC[C@H](NC(=O)c1cc2c(nc1O)CCCC2)c1nc(C)c(C)s1 670456727 UINJTEQNOUFVDK-AWEZNQCLSA-N 345.468 3.620 0 50 EHAA CN(Cc1ccc(-c2cc[nH]n2)s1)Cc1n[nH]c2c1CCCCC2 823717597 XVVVKDXBSJOUMH-UHFFFAOYSA-N 341.484 3.762 0 50 EHAA COc1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCO2)c(F)c1 824630616 YQFJTORHLAZOJQ-CQSZACIVSA-N 345.370 3.644 0 50 EHAA O=C(Cc1cccs1)Nc1ccc(OC[C@@H]2CCCCO2)cc1 827855628 OUJLMXNNCPXXKI-INIZCTEOSA-N 331.437 3.877 0 50 EHAA O=C(O)[C@@H]1CN(Cc2cc3ccncc3s2)C[C@H]1c1ccccc1 901889336 AIELOJIEXVRBAZ-DLBZAZTESA-N 338.432 3.597 0 50 EHAA CC(C)c1nc(CCNC(=O)[C@@]2(C)CCOc3ccccc32)cs1 931563301 QHBSKZINYUWPID-IBGZPJMESA-N 344.480 3.666 0 50 EHAA COc1ccc2nc(CNCc3ccc([C@@H]4CCCCO4)o3)[nH]c2c1 952860174 HDRFBYCYFGIHCP-KRWDZBQOSA-N 341.411 3.696 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)c2csc(C(C)=O)c2)c(C)c1 952990606 RJWKWVHPUQNEGK-UHFFFAOYSA-N 330.409 3.860 0 50 EHAA Cc1ccc(-n2cc(CNC(=O)c3cc4ccccc4s3)nn2)cc1 1875349872 QTROSJSZVHJFCT-UHFFFAOYSA-N 348.431 3.720 0 50 EHAA Cc1cc(NC(=O)C[C@@H]2CC2(F)F)n(Cc2ccc(Cl)cc2)n1 1940197522 XCFNDGXXQYWVER-GFCCVEGCSA-N 339.773 3.877 0 50 EHAA Cc1ccccc1C[C@@H](CO)CN[C@H](CC(C)C)c1ccncc1 2325754832 XENUBSPVMZNUBO-WIYYLYMNSA-N 326.484 3.918 0 50 EHAA C[C@@]1(CC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CCCO1 2325779433 CIRGFIBVWOMKNS-YJBOKZPZSA-N 347.846 3.839 0 50 EHAA C[C@@H](Cc1ccc(Cl)cc1Cl)Nc1ncnc2[nH]c(=N)ccc12 2325825259 JXYNTPVOKGTXQV-VIFPVBQESA-N 348.237 3.787 0 50 EHAA C[C@H](N)c1ccc(CNc2nccc(N3Cc4ccccc4C3)n2)cc1 2325874307 HUNFUWGGIOZOFM-HNNXBMFYSA-N 345.450 3.629 0 50 EHAA COc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCCC3)n1 13936 VPHPQNGOVQYUMG-UHFFFAOYSA-N 328.437 3.769 0 50 EHAA biogenic,world Cc1cccc(N2C(=O)C(Cl)=C(N(C)c3ccccc3)C2=O)c1C 101444 RXWURFUPOHKTLG-UHFFFAOYSA-N 340.810 3.763 0 50 EHAA O=S1(=O)N=C(Nc2ccc(Cl)cc2Cl)c2ccccc21 148174 KUZUOEOGDBUHQR-UHFFFAOYSA-N 327.192 3.554 0 50 EHAA CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 221870 FNZWOLATMXPENQ-KRWDZBQOSA-N 326.396 3.576 0 50 EHAA COc1ccc(N[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1 364554 QTFLFCDVBGCWPA-LBPRGKRZSA-N 339.650 3.576 0 50 EHAA CCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1 612820 CQVCZJWMQNCECB-SFHVURJKSA-N 326.371 3.922 0 50 EHAA C[C@]1(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)CC1(Cl)Cl 2089733 OAUXDTCKIKSJRI-CQSZACIVSA-N 342.201 3.593 0 50 EHAA O=C(NCc1cccc2ccccc12)C(=O)c1c[nH]c2ccccc12 3623528 WLNOHKBPGHNKNR-UHFFFAOYSA-N 328.371 3.820 0 50 EHAA O=C1N/C(=C/c2ccc(Cl)s2)C(=O)N1Cc1ccccc1F 4498439 DYMAWRLDOSRNPZ-KPKJPENVSA-N 336.775 3.634 0 50 EHAA CC(=O)c1cccc(-n2c(S)nnc2-c2ccc3ccccc3n2)c1 5789543 ZRUVGBPCNNGJIA-UHFFFAOYSA-N 346.415 3.974 0 50 EHAA Fc1ccc(N[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1F 11840722 ASOVXYWVJVZTMX-QGZVFWFLSA-N 344.405 3.976 0 50 EHAA O=C1N/C(=C/c2ccc(Br)s2)C(=O)N1c1ccccc1 12731710 DVALEDAZULCZHM-DHZHZOJOSA-N 349.209 3.608 0 50 EHAA CCOc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)O)cc1 13111209 WJNJXYXQWSRWHN-LFIBNONCSA-N 345.782 3.594 0 50 EHAA O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccc(F)cc1 20302163 IOWUBOSQHCJMLN-MRXNPFEDSA-N 346.789 3.722 0 50 EHAA COc1ccc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 39408727 BWSBEPRSVTVIBO-RTWAWAEBSA-N 328.500 3.924 0 50 EHAA Cc1nc(NCc2ccco2)sc1C(=O)NCCc1ccccc1 44890456 FEVMZCAFCYBYJX-UHFFFAOYSA-N 341.436 3.629 0 50 EHAA CC(C)CC1(CNC(=O)CCCc2nc(-c3ccco3)no2)CCC1 65382742 HYVUBZFBASVWLQ-UHFFFAOYSA-N 345.443 3.985 0 50 EHAA COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3C2CCCCC2)cn1 65408708 JNAZEOAXYRGYAT-OAHLLOKOSA-N 340.427 3.574 0 50 EHAA C=Cc1cccc([C@@H]2c3nc[nH]c3CCN2Cc2nccn2C(C)C)c1 72422395 PMAAGMOIZQVSFQ-OAQYLSRUSA-N 347.466 3.978 0 50 EHAA C[C@H](CCO)Nc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 72475284 ZZNATQHKBUJDOI-LLVKDONJSA-N 344.802 3.635 0 50 EHAA CCCc1nc(C(=O)N(C)Cc2cccc(-n3cccn3)c2)cs1 77386579 VERLEHKPZHBHPR-UHFFFAOYSA-N 340.452 3.554 0 50 EHAA COc1cccc(-c2cc(C(=O)N[C@H](C)C3=CCCCC3)[nH]n2)c1 91690030 VPQUASKXJKKICU-CYBMUJFWSA-N 325.412 3.704 0 50 EHAA COc1ccccc1CN(C(=O)Nc1cn(C)nc1C)C1CCCC1 96163049 UEBWNUIRACBZEQ-UHFFFAOYSA-N 342.443 3.714 0 50 EHAA Cc1[nH]c(SCc2nnc(C3CC3)n2C)nc1Cc1ccccc1 130434478 QTAIIMHWRWJAFL-UHFFFAOYSA-N 339.468 3.607 0 50 EHAA O=C(Cc1ccccc1)Nc1nc(-c2c[nH]c3ncccc23)cs1 137391731 GWACKLGGQCKNOV-UHFFFAOYSA-N 334.404 3.868 0 50 EHAA NC(=O)[C@@H]1CCCN(CCCCc2ccc(Cl)c(Cl)c2)C1 170598157 ICYMZLBZVILRFJ-CYBMUJFWSA-N 329.271 3.513 0 50 EHAA C[C@@H](C(=O)Nc1ccc(-n2cnnc2)cc1)c1cc2ccccc2o1 170614397 AVAMITCJUKOYAP-CYBMUJFWSA-N 332.363 3.756 0 50 EHAA Cc1cn2c(/C=C/c3ncc(/C=C/C(=O)O)s3)c(C)nc2s1 170651769 CUXKNOICCDETOG-UTTVJGTNSA-N 331.422 3.737 0 50 EHAA O=C(c1cccn1C1CC1)N1CCC[C@H](c2nc3ccccc3o2)C1 180383223 ZCZJTFAFFIPLRG-AWEZNQCLSA-N 335.407 3.984 0 50 EHAA c1ccc([C@H](Nc2ccc(N3CCOCC3)cn2)c2ccccn2)cc1 181072029 KZQJSCPNGFXHDK-NRFANRHFSA-N 346.434 3.515 0 50 EHAA CC(C)c1cc(C(=O)N2CCCN(C)c3ccc(F)cc32)cc(O)n1 181449851 USCDDGSJGOCHSB-UHFFFAOYSA-N 343.402 3.536 0 50 EHAA Cc1nc(CC2CC2)sc1C(=O)N[C@H]1CCOc2ccc(F)cc21 188954834 JYTGHXTWEPJAND-AWEZNQCLSA-N 346.427 3.797 0 50 EHAA CC[C@H](C(=O)N1CCCC[C@H]1c1ncc[nH]1)c1ccc(OC)cc1 195154456 MPZNDLGIVXDJMK-IRXDYDNUSA-N 327.428 3.666 0 50 EHAA COc1ccc([C@@H](NC(=O)C2CCCCCC2)[C@H]2C[C@@H](O)C2)cc1F 244626729 FRNLRCHSPCSUBL-JTDSTZFVSA-N 349.446 3.733 0 50 EHAA Cc1nc([C@H](Nc2ccc(C(F)(F)F)cn2)c2ccccc2)n[nH]1 253427745 DPGSGGHJZXAHBM-CQSZACIVSA-N 333.317 3.728 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C 256445846 NFVCQZNBRFPYOP-NRYCYPDBSA-N 334.500 3.566 0 50 EHAA CC(C)(O)CN1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 261506751 AQCWUEJZAQMLAP-UHFFFAOYSA-N 348.487 3.984 0 50 EHAA COCC1(NC(=O)Nc2cccc(C(F)(F)F)c2F)CCCC1 299782740 YIIODLBXGJSJBK-UHFFFAOYSA-N 334.313 3.925 0 50 EHAA Cc1noc(CN2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 329833491 KSMABAMDXHYPOF-GFCCVEGCSA-N 342.226 3.728 0 50 EHAA CC1(C)CCc2nc(NC(=O)[C@H]3CCC(=O)c4cccn43)sc2C1 333188051 RKCJYLTYZMIZPL-CYBMUJFWSA-N 343.452 3.616 0 50 EHAA O=C(c1ccsc1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 355334933 MSWCANDJALOTQH-UHFFFAOYSA-N 340.492 3.876 0 50 EHAA COc1ccc(NC(=O)N2CCc3cc(C)ccc3C2)cc1OC 361719315 CMLHDSBEWAZBGF-UHFFFAOYSA-N 326.396 3.602 0 50 EHAA CC(C)C[C@@H](C(=O)Nc1nc(-c2cccs2)n[nH]1)n1cccc1 409414795 WZBSNAALTKSPCJ-LBPRGKRZSA-N 329.429 3.561 0 50 EHAA C[C@@H](NC[C@@H]1CCCO[C@H]1c1nccn1C)c1cc2ccccc2o1 858008126 KCQNIPFDOSYDND-SIXWZSSISA-N 339.439 3.985 0 50 EHAA CCCCNc1nc(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)cs1 1301793760 DDMRUHYFVXGNDI-LLVKDONJSA-N 349.422 3.699 0 50 EHAA CN(C(=O)[C@@H]1CC[C@H]2C[C@H]2CC1)[C@H]1CCN(Cc2ccccc2F)C1 1875335201 WHGRKXFDIFTABH-ZMMAXQRCSA-N 344.474 3.685 0 50 EHAA CC[C@@]1(C(=O)O)CCCN1C(=O)[C@@H](SC)c1cccc(Cl)c1 1875354927 UCBSDJOORCTPMA-BBRMVZONSA-N 341.860 3.600 0 50 EHAA C[C@H](NCc1noc2c1CCCC2)c1ccc(-c2cncnc2)cc1 2325723698 DFBDSGOLDDMQCT-AWEZNQCLSA-N 334.423 3.861 0 50 EHAA CC(C)c1ncncc1NC(=O)Cc1ccc(F)c(Cl)c1F 2325797935 AMHBGIAFJWQCJZ-UHFFFAOYSA-N 325.746 3.713 0 50 EHAA Cc1ccc(N2C(=O)C[C@H](SCc3ccccc3)C2=O)c(C)c1 432467 VFPQJDRTFHPNDM-KRWDZBQOSA-N 325.433 3.869 0 50 EHAA Cc1cc(C)c2c(CC(=O)N[C@@H]3CCC[C@@H](CO)C3)coc2c1C 2356155922 NYCACOZUYZVXAX-NVXWUHKLSA-N 329.440 3.568 0 50 EHAA CCCCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2 2478382 XBTMSTNRBIQWHK-UHFFFAOYSA-N 332.403 3.962 0 50 EHAA biogenic C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(Cl)cn1 3358110 HHQWKJXRTASPFK-MRVPVSSYSA-N 329.158 3.934 0 50 EHAA COc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccco1 4520023 WJKAJNSFISLQLY-UHFFFAOYSA-N 336.347 3.793 0 50 EHAA COc1ccc([C@H](C)NC(=O)c2ccc(Cl)s2)cc1OC 6726391 UGRAPFOTMXJUKL-VIFPVBQESA-N 325.817 3.910 0 50 EHAA COc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2)cc1OC 6741840 SUWDZDZALRTURY-LBPRGKRZSA-N 349.814 3.613 0 50 EHAA O=C(c1sccc1Cl)N(Cc1ccccn1)C[C@@H]1CCCO1 55199344 KRCUNBKKYAWISR-ZDUSSCGKSA-N 336.844 3.618 0 50 EHAA COc1ccc2c(c1)CN(C(=O)c1cccc(-n3cccc3)c1)CC2 347514669 DZHDIFGAQNVCRA-UHFFFAOYSA-N 332.403 3.684 0 50 EHAA CC(C)c1nc(CCNC(=O)N(C)CCOc2ccccc2)cs1 102458023 IUAHPPISLGSZBM-UHFFFAOYSA-N 347.484 3.529 0 50 EHAA CCCCc1nc(CN2CCc3[nH]cnc3[C@H]2c2ccc(C)o2)c[nH]1 67642108 MONXUIMOVRSCIC-LJQANCHMSA-N 339.443 3.525 0 50 EHAA COc1cccc(SCC(=O)N2CCCC[C@H]2c2ccccn2)c1 72463048 XZFAFOIQHJQKOZ-SFHVURJKSA-N 342.464 3.936 0 50 EHAA O=C(NC1CCCCCC1)c1ccn(COc2ccc(F)cc2)n1 2788455 XRHQCFUYCZBAHB-UHFFFAOYSA-N 331.391 3.511 0 50 EHAA O=C(C1=CCCCC1)N1CCC[C@](CO)(CCc2ccccc2)C1 12574377 MOHWUNWUSADUJW-NRFANRHFSA-N 327.468 3.721 0 50 EHAA Cc1nc(C)n(C2CN(C(=O)c3ccc(C4CCCCC4)cc3)C2)n1 329067829 METPOVUZRCMBKT-UHFFFAOYSA-N 338.455 3.640 0 50 EHAA O=C(NC[C@H](C(=O)O)c1ccccc1)c1c(Cl)cccc1Cl 315627478 UJBXJTYWHAYUES-NSHDSACASA-N 338.190 3.592 0 50 EHAA C[S@@](=O)c1cccc(NCc2sccc2Br)c1 230469624 SOWOVZBNKGLQNG-QGZVFWFLSA-N 330.272 3.860 0 50 EHAA Cc1nc([C@H]2CCCN2C(=O)c2cc(C)n([C@H](C)C3CC3)n2)cs1 330019061 UMZSZAVUDKFPGZ-SJKOYZFVSA-N 344.484 3.905 0 50 EHAA CCOc1ccc(S(=O)(=O)N[C@@H](CC)c2ccc(C)cc2)cc1 7308794 NURKZFWMZGNGTE-SFHVURJKSA-N 333.453 3.823 0 50 EHAA Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Nc1ccsc1)CC2 150726036 VVTIFXBHPIYBEE-VIFPVBQESA-N 341.358 3.609 0 50 EHAA Cc1cc(NCc2nc(C3CCCCC3)no2)n2nc(C)c(C)c2n1 72407182 CNLMULPUVFIRJB-UHFFFAOYSA-N 340.431 3.697 0 50 EHAA Cc1ccc(NC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1C 331814455 BNPWBVHXISGDLM-ROUUACIJSA-N 328.387 3.782 0 50 EHAA Cc1cc(CN(C)Cc2nc(-c3ccccc3Cl)oc2C)[nH]n1 72423547 KAJBILUCKFUSAT-UHFFFAOYSA-N 330.819 3.967 0 50 EHAA Cc1cc(C)c(C(=O)O)cc1NC(=O)[C@H]1CCOc2ccccc21 262531387 POYDGFXRWVKLKY-AWEZNQCLSA-N 325.364 3.506 0 50 EHAA Cc1nn(C)cc1CN1CCC[C@H](CCc2c(F)cccc2F)C1 71589592 RAHKHPBSLRWZOF-OAHLLOKOSA-N 333.426 3.852 0 50 EHAA Cc1ncsc1CNC1CCN([C@@H](C)Cc2ccccc2)CC1 449130573 ZITGZAJEWLQROP-HNNXBMFYSA-N 329.513 3.637 0 50 EHAA CC(C)c1nc(/C=C/c2ccc(-n3cccn3)cc2)ncc1C(=O)O 172555089 AMSWMPJBCBPZOA-RMKNXTFCSA-N 334.379 3.654 0 50 EHAA Cc1ccc(-n2c(SCc3ccccc3)nc3c(=O)[nH]cnc32)cc1 20394366 BTLIHYNQLWCQQI-UHFFFAOYSA-N 348.431 3.710 0 50 EHAA CC(CNC(=O)[C@H]1CCC[C@H](O)C1)(c1ccccc1)c1ccccc1 223439866 IEJNBDYCXWMGFW-PXNSSMCTSA-N 337.463 3.660 0 50 EHAA Cn1ccc2ccc(C(=O)N[C@@H](Cn3cccn3)c3ccccc3)cc21 95512930 GSQBJKQVMRBBQM-IBGZPJMESA-N 344.418 3.546 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2cc3c(C)cc(=O)oc3cc2C)cc1 22171415 YHBQOAWWTRXSRN-UHFFFAOYSA-N 343.404 3.519 0 50 EHAA C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[C@H]2[C@H](CCCN2C)C1 179292077 QRFAIBOPJUZVPF-NJJOGOQNSA-N 332.875 3.686 0 50 EHAA CN(C)CCCOc1ccc2c(c1)Sc1ccccc1C[C@H]2O 252502571 UQYFXIWGFHTVMG-QGZVFWFLSA-N 329.465 3.758 0 50 EHAA Oc1cccc(CN2CCC[C@@H](NCc3ccc(Cl)s3)C2)c1 952984837 NWPGHNYRQVMUPU-CQSZACIVSA-N 336.888 3.861 0 50 EHAA Cc1nscc1C(=O)N[C@@H](c1ccncc1)c1cc(F)ccc1F 170072760 KVLWWIKBWGRCGJ-INIZCTEOSA-N 345.374 3.644 0 50 EHAA CCN(CC)CCc1ccc(NC(=O)N(C)Cc2ccccn2)cc1 170612070 LWKYRJZYKUFUKQ-UHFFFAOYSA-N 340.471 3.630 0 50 EHAA O=C(COc1ccc(Br)cc1Cl)N1CCCCCC1 457960 XHRGGXHOBKMMFL-UHFFFAOYSA-N 346.652 3.884 0 50 EHAA Cc1ccc(C)c(NC(=O)N(C)C[C@@H]2Cc3ccccc3CN2C)c1 1506398589 SLXPMTBTLFEARO-IBGZPJMESA-N 337.467 3.824 0 50 EHAA CC(C)c1nc2ccccc2n1CC(=O)Nc1cnn(C(C)C)c1 1506404934 GTVJGGHKALLKJZ-UHFFFAOYSA-N 325.416 3.576 0 50 EHAA O=C(c1ccsc1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212194242 GSDNMUXAPNBLCC-MOPGFXCFSA-N 337.444 3.892 0 50 EHAA Cc1c(Cl)cccc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1529167506 MMYZSMGKTWYPNK-GEEKYZPCSA-N 334.891 3.839 0 50 EHAA CN(C(=O)CCC(=O)Nc1ccnn1C1CCCC1)C1CCCCC1 1529105536 FNTUEAANEXJIPL-UHFFFAOYSA-N 346.475 3.508 0 50 EHAA COc1ccnc(N(C)C(=O)c2nc3ccccc3cc2C2CC2)c1 905970423 HCSILYYURQYXGB-UHFFFAOYSA-N 333.391 3.792 0 50 EHAA CCOc1nc(C(=O)N2CCCc3c2cccc3C(F)(F)F)co1 905969949 MOLMCCAGGJYXAK-UHFFFAOYSA-N 340.301 3.685 0 50 EHAA O=C(Nc1cnn(C2CCC2)c1)N[C@H](C1CCCC1)C(F)(F)F 930829210 QXSNERVOKAFYGM-CYBMUJFWSA-N 330.354 3.851 0 50 EHAA Clc1ccccc1-c1nnc(N2CCCC2)n1C[C@H]1CCCCO1 1770687293 JMVRMGKIBHGUFZ-CQSZACIVSA-N 346.862 3.768 0 50 EHAA CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)[C@@]13CCCC[C@H]1C3)C2 1775990131 CWRILCUGPHTMIX-HUTLKBDOSA-N 346.515 3.643 0 50 EHAA C[C@]1(O)CCC[C@H]1NCc1coc(-c2ccccc2C(F)(F)F)n1 2325772021 MKDWOQLRWKCVDO-ZBFHGGJFSA-N 340.345 3.754 0 50 EHAA Fc1cc(-c2ncco2)ccc1CN1CCC(c2ccno2)CC1 2325778563 DYLBNPRCYYQGNV-UHFFFAOYSA-N 327.359 3.848 0 50 EHAA COc1ccccc1[C@@H](CF)NC(=O)c1ccc2ncsc2c1 2325817363 AHJGBWRIIXFUIF-CQSZACIVSA-N 330.384 3.746 0 50 EHAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)[C@@H](F)c1ccc(F)cc1 2325880115 VFXVBHRUIDZUDZ-MSOLQXFVSA-N 341.361 3.591 0 50 EHAA Cc1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccccc2)cc1C 45099 ZWDMGGLKEQSLPT-HXUWFJFHSA-N 348.402 3.947 0 50 EHAA CSc1ccccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O 121495 DYUCTWDZBNKSJX-OAHLLOKOSA-N 344.461 3.850 0 50 EHAA CN(C)C(=O)Nc1cccc(CNC(=O)c2cccc3ccccc23)c1 132524142 RYKXCAACZSOTMB-UHFFFAOYSA-N 347.418 3.863 0 50 EHAA Cc1ccnc(NC(=O)COc2c(C)cc(C)cc2Br)c1 304965 WNXBLHSPVIOXKQ-UHFFFAOYSA-N 349.228 3.787 0 50 EHAA CCc1nnc(NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)s1 310550 MHQJUEAALACQFO-UHFFFAOYSA-N 337.408 3.691 0 50 EHAA COc1cc(OC)c(NC(=O)COc2ccc(C)cc2)cc1Cl 363233 ZCULNINIZFSYFD-UHFFFAOYSA-N 335.787 3.683 0 50 EHAA COC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1 444142 QDQRDERQJSDFHY-UHFFFAOYSA-N 349.839 3.999 0 50 EHAA CCOC(=O)c1c(C)n(C)c2c1cc(OC(C)=O)c1ccccc12 445736 DJOGOYLJDKSSJX-UHFFFAOYSA-N 325.364 3.742 0 50 EHAA CCC(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1 455856 IUGFXCFOIQKIKA-UHFFFAOYSA-N 325.393 3.718 0 50 EHAA C[C@@H](SCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 566370 PAXLGQGYLLJKAE-CYBMUJFWSA-N 329.421 3.718 0 50 EHAA Cc1ccc(CNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 819331 OGOAEEDTJSGHKD-UHFFFAOYSA-N 340.442 3.663 0 50 EHAA CSc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 1076529 JWBWFGIKQTXZLR-UHFFFAOYSA-N 340.448 3.897 0 50 EHAA O=C(CCCCc1ccccc1)N1CC[C@H](c2ccccc2)[C@H](O)C1 2356165316 CFFPXLIRSFFNHH-NHCUHLMSSA-N 337.463 3.776 0 50 EHAA CCCCOc1c(Cl)cc(CNC(C)(C)CO)cc1OCC 2863702 MKNGOCGJZZHOPN-UHFFFAOYSA-N 329.868 3.778 0 50 EHAA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccccc2)cc1 4011230 OVDBCSFTRVIBHF-SFHVURJKSA-N 336.391 3.545 0 50 EHAA C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCCC[C@H]1c1nccs1 246748057 RTAXNTAUALBUKV-INWMFGNUSA-N 328.437 3.761 0 50 EHAA CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1sc(N)nc1C 65433537 JOPGVENJZGLVBO-UHFFFAOYSA-N 346.456 3.723 0 50 EHAA Cc1ccc2[nH]c(=O)c(CN(C)Cc3cccnc3Cl)cc2c1 67868958 NYBGWUQUYCWZAG-UHFFFAOYSA-N 327.815 3.517 0 50 EHAA CCn1cc(Br)c(C(=O)Nc2c(C)cc(C)cc2C)n1 373318 BHNWNEVERMOBJQ-UHFFFAOYSA-N 336.233 3.843 0 50 EHAA CCCc1nnsc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 36365248 QWXNHCYDEOAMBT-UHFFFAOYSA-N 348.859 3.598 0 50 EHAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1F 4916519 BBKNGZBJQYYIAS-HNNXBMFYSA-N 333.403 3.683 0 50 EHAA COC(=O)c1scc(C)c1NC(=O)c1cccc(F)c1SC 253425592 FQDOOIFRWYJORF-UHFFFAOYSA-N 339.413 3.956 0 50 EHAA O=C(O)CC[C@H]1CCCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 238008772 CBKLKLLLLIEKNL-WBVHZDCISA-N 329.440 3.600 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)c1cnc2onc(C(C)C)c2c1 156589025 LYZBUHWWTDCBAL-UHFFFAOYSA-N 326.356 3.772 0 50 EHAA C[C@H]1C[C@H](N)CCN1C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 237596895 YBIDRYLDGYOMOP-TYNCELHUSA-N 328.378 3.537 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(Br)cc2)C1 44137837 GEXSUGHVUQJIHP-ZDUSSCGKSA-N 342.233 3.837 0 50 EHAA CC(C)c1cnc(NC(=O)CCc2nnc(-c3ccccc3)o2)s1 172674131 ZDPFGJHXIJIUTA-UHFFFAOYSA-N 342.424 3.888 0 50 EHAA CN1C[C@@H]2CN(C(=O)c3cccc4[nH]ccc34)C[C@H]2[C@@H]1c1ccccc1 241466206 NVOFFOINPHZWON-BSIFCXSSSA-N 345.446 3.543 0 50 EHAA COc1ccc2c(c1)CCC[C@H]2N(C)Cc1ncnn1C(C)(C)C 338235130 OLJLDHHYKXKNPF-QGZVFWFLSA-N 328.460 3.551 0 50 EHAA O=C(O)C1CCC(Nc2cc(F)ccc2OCC(F)(F)F)CC1 263454590 HATBFSCVUNSRPA-UHFFFAOYSA-N 335.297 3.822 0 50 EHAA COc1cccc([C@@H]2CCCN2C(=O)c2cnc(C(C)C)nc2C)c1 82147470 GHECKGXWGQVNGP-SFHVURJKSA-N 339.439 3.894 0 50 EHAA CC(C)Sc1ccccc1NC(=O)NCC1(Cn2cccn2)CC1 96131303 UXUJITFOGDKHCF-UHFFFAOYSA-N 344.484 3.986 0 50 EHAA COc1cccc([C@H]2CCN2C(=O)c2cccc(Cn3cccn3)c2)c1 92028821 OBANKDMMYFMRJV-HXUWFJFHSA-N 347.418 3.527 0 50 EHAA Cc1csc([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)n1 340538541 UYZJDFGYAFSNCN-HNNXBMFYSA-N 343.496 3.928 0 50 EHAA CSCC[C@H](C(=O)Nc1cccc2c1ccn2C)n1cccc1 263588080 OWYJCDLFNVLATM-QGZVFWFLSA-N 327.453 3.913 0 50 EHAA CC[C@@H](c1ccccn1)n1cnc2cccc(C(F)(F)F)c2c1=O 584899293 VYNCHVSDYJPINK-AWEZNQCLSA-N 333.313 3.810 0 50 EHAA CC(C)(C(=O)Nc1ccc2nnc(C3CCC3)n2c1)c1cccs1 187206337 MZRGGVWLUGSKHK-UHFFFAOYSA-N 340.452 3.975 0 50 EHAA COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(C)=O)c(OC)c1 170614132 OTKGERCGJBSTTM-SFHVURJKSA-N 342.370 3.541 0 50 EHAA Cc1n[nH]c(C)c1CC(=O)N(CCC(F)(F)F)C1CCCCC1 188294069 TYVGUFPDBPGWBX-UHFFFAOYSA-N 331.382 3.683 0 50 EHAA C[C@H]1CCCCN1C(=O)c1ccc(NCc2ncccn2)cc1Cl 190349402 XQBVVQZNEUPYMC-ZDUSSCGKSA-N 344.846 3.757 0 50 EHAA COc1ccc(N(Cc2cccs2)C(=O)CC2(N)CCC2)cc1 195543062 SZFKFFDMCZCWDY-UHFFFAOYSA-N 330.453 3.561 0 50 EHAA CSc1ccc2c(C)cc(N3C[C@H]4[C@H](CN(C)C)[C@H]4C3)nc2c1 1506408610 UHZUOLBIFXMGNG-OSYLJGHBSA-N 327.497 3.509 0 50 EHAA Cc1ccc(CN(Cc2ccc(S(C)(=O)=O)cc2)C2CC2)s1 1506427714 RVIXZKDEWGYWAP-UHFFFAOYSA-N 335.494 3.625 0 50 EHAA CSc1cccc(CN(C(=O)Cc2ccc(CO)cc2)C(C)C)c1 1506415401 BMIRKSPGTJHGSZ-UHFFFAOYSA-N 343.492 3.881 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)CCc3ccc(C)cc3C)C[C@@H]21 1704300545 XHIJMICYFLPDNN-SVFBPWRDSA-N 329.484 3.636 0 50 EHAA OCCc1ccc(-c2cc(NCc3ccncc3)nc3[nH]ccc23)cc1 1772700210 VPZQMMRQSJNUIT-UHFFFAOYSA-N 344.418 3.772 0 50 EHAA COc1ccc(-c2nc(CN3CCCC[C@@H]3CCO)c(C)o2)cc1C 12027344 HUXPGTPXQYKVSZ-QGZVFWFLSA-N 344.455 3.704 0 50 EHAA CCNc1ncnc2sc(C(=O)NCc3ccc(C)cc3)c(C)c12 12160400 GLMMJLKSXOMDOB-UHFFFAOYSA-N 340.452 3.670 0 50 EHAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cccc(C)n2)C1 12304938 RXZZHRMEBJNAFZ-HNNXBMFYSA-N 342.414 3.633 0 50 EHAA FC(F)(F)c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1 14197366 ZGBPINJUXMKAMB-UHFFFAOYSA-N 347.296 3.989 0 50 EHAA O=C(C[C@H](c1ccccc1)c1ccccc1F)N1CCSCC1 14954280 PTVTWJMJWUHVDB-QGZVFWFLSA-N 329.440 3.923 0 50 EHAA Cn1nc(-c2ccccc2)c2c1CCN(CC[C@@H]1CC1(F)F)CC2 1875250213 GMYSEAZHDVZUEQ-OAHLLOKOSA-N 331.410 3.533 0 50 EHAA CCc1nc(NCc2cnc(C(F)(F)F)nc2)c2ccsc2n1 656204002 NUXCVYQYJSREMQ-UHFFFAOYSA-N 339.346 3.675 0 50 EHAA COc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1C1CC1 253395762 GZBPBYOFRYKSJL-BHIYHBOVSA-N 343.467 3.728 0 50 EHAA OC[C@]1(F)CCN(Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 802660745 VKJJEVXEOOCZRX-SFHVURJKSA-N 337.341 3.663 0 50 EHAA CCc1nc([C@H]2CCCCN2C(=O)c2ccc(F)c3occc23)no1 933229022 FWJVOAFBVBMCHH-CQSZACIVSA-N 343.358 3.885 0 50 EHAA c1ccc(-c2nc(NCCC3CCOCC3)c3ccsc3n2)nc1 1154852052 LGMJZPWMAWGIAQ-UHFFFAOYSA-N 340.452 3.982 0 50 EHAA O=C(NC[C@@H]1CCC[C@]2(CCOC2)O1)Nc1ccc2sccc2c1 2325769524 QVXFKMFJJQXDEN-MAUKXSAKSA-N 346.452 3.751 0 50 EHAA CN1CCN(C(=O)NC2CC(c3cccc(Cl)c3)C2)CCC1(C)C 2325828642 NEVHVCIUIUDESF-UHFFFAOYSA-N 349.906 3.712 0 50 EHAA Cc1cnc(NC2CCC3(CC2)C[C@H]3N)nc1-c1ccccc1F 2325839613 ZGVZPIKBJFAMHM-ZHTDJMBKSA-N 326.419 3.663 0 50 EHAA O=C(NC(=S)Nc1ccccc1)c1ccccc1Br 315040 IEZZKQJVRZXFFW-UHFFFAOYSA-N 335.226 3.576 0 50 EHAA COC(=O)c1ccccc1NC(=O)Nc1cc(Cl)ccc1OC 399647 HOVMYLIZUIXHBL-UHFFFAOYSA-N 334.759 3.779 0 50 EHAA CCc1cccc(C)c1NC(=O)C[C@H]1Sc2ccccc2NC1=O 408319 YUICUTSNDOALGJ-MRXNPFEDSA-N 340.448 3.999 0 50 EHAA COc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc(OC)c1 472244 NMXDSGICZSAKEY-NSHDSACASA-N 335.787 3.763 0 50 EHAA Cc1nc(SCC(=O)Nc2ccc(F)cc2)nc2c1CCCC2 582966 YWAIULMYJXIGGF-UHFFFAOYSA-N 331.416 3.534 0 50 EHAA COc1ccc(CCNC(=S)NCCC2=CCCCC2)cc1OC 611973 RXSJWYYKUKAOMS-UHFFFAOYSA-N 348.512 3.601 0 50 EHAA Fc1ccc(Cn2cc(NC(=S)NC3CCCCC3)cn2)cc1 621334 SCKPRDWHSHOEKZ-UHFFFAOYSA-N 332.448 3.690 0 50 EHAA O=C(CN1CCCCCC1)N[C@H](c1ccccc1)c1cccs1 7339680 VEGOFPXCSKKOGC-LJQANCHMSA-N 328.481 3.830 0 50 EHAA CC[C@@H](Cn1ccnc1)NCc1cnc(-c2ccccc2C)s1 65370474 OZOXGBNYTJJKPL-HNNXBMFYSA-N 326.469 3.883 0 50 EHAA Cc1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 2112333 JYYSLEHBDLSHTC-OAQYLSRUSA-N 345.402 3.716 0 50 EHAA biogenic Fc1ccccc1C1=CCN(Cc2nc(-c3ccco3)no2)CC1 127613569 NICCXPMMIFICHW-UHFFFAOYSA-N 325.343 3.758 0 50 EHAA Cn1ncc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1C1CC1 72147537 JRCRZJSCZDJKDF-HNNXBMFYSA-N 349.482 3.629 0 50 EHAA O=C(CCC(F)(F)F)N1CCC[C@@H](COc2cccc(F)c2)C1 77488683 WDMNLHMUEDTFDA-GFCCVEGCSA-N 333.325 3.786 0 50 EHAA O=C(Nc1cccnc1)c1ccc(-n2ccnc2-c2ccncc2)cc1 77520978 LUBYEHXACDNEOS-UHFFFAOYSA-N 341.374 3.582 0 50 EHAA CC(=O)NCC[C@@H]1CCCCN1Cc1ccc(C(F)(F)F)c(F)c1 72133511 OSLFQEONVFOFOY-AWEZNQCLSA-N 346.368 3.725 0 50 EHAA CCC(CC)[C@@H](NS(=O)(=O)CC1CCOCC1)c1ccccc1 173027562 KQQKGGGZLYPCLC-GOSISDBHSA-N 339.501 3.510 0 50 EHAA Cc1nc(C(=O)Nc2ncsc2C(C)C)nn1-c1ccc(F)cc1 288756122 FBBAEWUDORDQFL-UHFFFAOYSA-N 345.403 3.547 0 50 EHAA CC(=O)Nc1ccc(F)c(C(=O)N(C)Cc2ccc(C)c(F)c2)c1 241301053 LPYRBQYTYMTRBB-UHFFFAOYSA-N 332.350 3.504 0 50 EHAA CCc1cccc(CN2CCC(NC(=O)c3ccsc3)CC2)c1 241720877 QSZULDOZDDUVHT-UHFFFAOYSA-N 328.481 3.705 0 50 EHAA COc1ccccc1N1CCC(Nc2ncc(Cl)cc2F)CC1 175399631 MOAHLFINWUQZNM-UHFFFAOYSA-N 335.810 3.964 0 50 EHAA O=C(CCc1ccc(F)c(F)c1)N1CCCC[C@@H]1CCn1cccn1 82115134 REBLSQPNWXTZDS-MRXNPFEDSA-N 347.409 3.565 0 50 EHAA O=C(CSC[C@@H]1CCCCO1)Nc1cccc(N2CCCC2)c1 263877878 HQQRGGMSJUYOGI-KRWDZBQOSA-N 334.485 3.528 0 50 EHAA Clc1cccc(C2(CN[C@H](c3ccccc3)c3nnc[nH]3)CC2)c1 289177525 IBDYEKBMECZNPE-QGZVFWFLSA-N 338.842 3.869 0 50 EHAA CC[C@@H](O)c1ccc(-c2cccc(C(=O)N(CC)CCOC)c2)cc1 426685278 JNYFHLOPAPKMAK-HXUWFJFHSA-N 341.451 3.906 0 50 EHAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3cc4cc(C)ccc4n3C)[C@H]2C1 426658306 IOPDPOGQCZHOHO-SESVDKBCSA-N 342.483 3.645 0 50 EHAA COc1ccc2c(c1)CN(CC1CCNCC1)[C@@H](c1ccccc1)C2 178976340 XKHSNTRNYDSMBD-JOCHJYFZSA-N 336.479 3.794 0 50 EHAA O=C1CCCN1CC1CCN(c2ccc3cccc(Cl)c3n2)CC1 96148373 QHEOONXXOHULNY-UHFFFAOYSA-N 343.858 3.727 0 50 EHAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)CC(C)(C)C)C1 92020454 IKHHXUUEOLAQIE-ZDUSSCGKSA-N 335.419 3.692 0 50 EHAA c1ccc([C@]23[C@@H]4[C@H]5[C@@H]6[C@H]7[C@H]4[C@H]4[C@H]8[C@@H]7[C@@H]7[C@H]9[C@H]%10[C@H]([C@H]2[C@@H]5[C@@H]%10[C@H]67)[C@@H]([C@H]98)[C@@H]43)cc1 257355615 BSQJORIBNGKJAD-USBONDEXSA-N 336.478 3.782 0 50 EHAA Cc1noc(C2CCN(Cc3sc(C)nc3C(F)(F)F)CC2)n1 183572283 XHZJMUHOQOECIW-UHFFFAOYSA-N 346.378 3.541 0 50 EHAA COc1ccc(-c2ccnc3nc(-c4c[nH]c5ccccc45)nn23)cc1 263588480 UOMNKZNSOIXZIJ-UHFFFAOYSA-N 341.374 3.948 0 50 EHAA Cc1cc2occ(CC(=O)N(C)C3CCOCC3)c2c(C)c1Cl 299799443 SIXLQLGGJNODKH-UHFFFAOYSA-N 335.831 3.883 0 50 EHAA CN(CCC1(O)CCCC1)C(=O)C[C@H](c1ccccc1)c1ccco1 823625646 OJSYKEGZIUMERQ-GOSISDBHSA-N 341.451 3.955 0 50 EHAA CSCc1ccc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)o1 952985610 IPSRCRCWWXYTSG-HNNXBMFYSA-N 347.484 3.733 0 50 EHAA Cc1ccc(SC[C@@H](C)NC(=O)[C@H](C)c2c(C)n[nH]c2C)cc1 186701835 KAUPTAIAYGEOMJ-CHWSQXEVSA-N 331.485 3.735 0 50 EHAA CC1(C)[C@H](CNC(=O)NCc2cccc(-c3cccnc3)c2)C1(F)F 661033153 HOWLESRAMMGDBM-INIZCTEOSA-N 345.393 3.839 0 50 EHAA C[C@@H]1SCCN(Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]1C 170631138 ILRITJSVRUFPDA-GJZGRUSLSA-N 327.497 3.687 0 50 EHAA CCN(CC)Cc1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1 170605636 RFKOGQXNIVWMMJ-UHFFFAOYSA-N 348.450 3.966 0 50 EHAA Cc1cc(Cl)c(NC(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)cc1Cl 666422516 NGNBYWUIPBTTGH-NXEZZACHSA-N 329.227 3.991 0 50 EHAA CCC(CC)CN1CCC2(CC1)C[C@@H]2C(=O)NCCc1ccccc1 12053809 ZJBZWOMPVWQYGH-HXUWFJFHSA-N 342.527 3.884 0 50 EHAA C[C@@H](O)c1nc2ccccc2n1Cc1cccc(Br)c1 12383971 UVHKFOCGCLQXHL-LLVKDONJSA-N 331.213 3.900 0 50 EHAA COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(C)o3)C2)c(OC)c1 15074499 BSJMJHVEKGHAAS-HNNXBMFYSA-N 343.423 3.700 0 50 EHAA O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1SCCO 18106199 DANYQCCKWAKRMV-UHFFFAOYSA-N 331.824 3.933 0 50 EHAA OC[C@H]1CC[C@H](Cn2ccnc2-c2cc3c(cc2Cl)OCO3)CC1 1857709628 JHKJKDFBIWVLHD-JOCQHMNTSA-N 348.830 3.731 0 50 EHAA CC(C)n1cnnc1[C@H]1CCCN(c2ncc(Cl)cc2Cl)C1 252500943 TZYQXSAKYIFSCS-NSHDSACASA-N 340.258 3.945 0 50 EHAA Cc1oc(C(C)(C)C)cc1C(=O)NCCc1noc2ccccc12 824683945 GXTQQSKNBLACEH-UHFFFAOYSA-N 326.396 3.999 0 50 EHAA CN(CCCCc1cccc(Br)c1)C(=O)c1cocn1 1875274562 JCKOUKJGMVVBIY-UHFFFAOYSA-N 337.217 3.532 0 50 EHAA Cc1ccoc1-c1nnc(COC(=O)[C@H]2Cc3c(Cl)cccc32)o1 1875355632 BTBRUQLHTKIIAM-LBPRGKRZSA-N 344.754 3.675 0 50 EHAA CCOc1cccc([C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)c1 107496 UNFQFXGKGICQHD-AWEZNQCLSA-N 327.380 3.577 0 50 EHAA CC1(C)[C@H](N)c2ccccc2N1C(=O)CCc1ccnc2ccccc12 2325760220 SNASELDHLCBCIR-OAQYLSRUSA-N 345.446 3.993 0 50 EHAA Cc1ccc(Br)c(CSC[C@@H]2[C@H]3CCOC[C@H]32)n1 2325798273 CRIKGNHJGMWMSN-QJPTWQEYSA-N 328.275 3.668 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2cnn(C(C)C)c2)cc1F 2325816620 JITODRQPZSFVQZ-WBVHZDCISA-N 331.391 3.628 0 50 EHAA C[C@H](NCc1cccc2ncccc12)c1cccc(-n2cnnc2)c1 2325857353 YQONZJAWEAPGSM-HNNXBMFYSA-N 329.407 3.666 0 50 EHAA C[C@@H](N)c1noc(-c2ccc(-n3ncc4ccccc43)c(Cl)c2)n1 2325859383 XLESEDVOZBYGRE-SNVBAGLBSA-N 339.786 3.749 0 50 EHAA O=C(COc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 290560 RMAPMBXIDXZVQH-UHFFFAOYSA-N 328.368 3.967 0 50 EHAA COc1cc(NC(=O)c2cccc(Br)c2)cc(OC)c1 449962 VQSORYKNKRYJDJ-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA COc1cc(CO)cc(Br)c1OCc1ccccc1F 461704 BTAYBGPCDQDWGA-UHFFFAOYSA-N 341.176 3.668 0 50 EHAA Cn1cc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 469455 KBHUGWUFRUBEMX-UHFFFAOYSA-N 338.116 3.998 0 50 EHAA COc1ccc(C(=O)c2sc(Nc3ccccc3)nc2N)cc1 1432662 MWRZPNGRLYXGKP-UHFFFAOYSA-N 325.393 3.709 0 50 EHAA Cc1cc(C)n(Cc2nnc(Nc3ccc(F)c(Cl)c3)s2)n1 2755142 YBGVWQXIPUIWFM-UHFFFAOYSA-N 337.811 3.936 0 50 EHAA Cc1cc(OC(=O)Cn2c(=O)sc3ccccc32)ccc1Cl 2865256 AXQIUSFTJXEFJR-UHFFFAOYSA-N 333.796 3.630 0 50 EHAA O=C(Nc1cccnc1)c1cc(-c2ccc(Br)cc2)on1 3907729 MTNDMCRCCWSTTD-UHFFFAOYSA-N 344.168 3.751 0 50 EHAA aggregator Cc1ccccc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1 5027981 YHSJJNRWIKCKPT-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5228755 MRURHGKZPVRRKA-LDMQOBABSA-N 330.468 3.982 0 50 EHAA Cc1nn2c(C)c(C(=O)Nc3ccccc3)nnc2c1-c1ccccc1 5424714 ZHZRXEYDBGRWIW-UHFFFAOYSA-N 343.390 3.660 0 50 EHAA CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(C(C)=O)cc12 5672965 KPWYZTSSQMXHCJ-UHFFFAOYSA-N 335.359 3.550 0 50 EHAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)cc1C 11664454 PCTINBUNKYJUJC-QGZVFWFLSA-N 348.450 3.896 0 50 EHAA O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN1CC1CC1 11820593 CESJQVQRNHMGJT-SFHVURJKSA-N 337.423 3.687 0 50 EHAA Cc1c(-c2nnc(-c3ccccc3Cl)o2)nnn1-c1ccccc1 12274029 MFUAIDXMBZLKTD-UHFFFAOYSA-N 337.770 3.946 0 50 EHAA COC(=O)c1c(NC(=O)[C@H]2CCCO2)sc(C)c1-c1ccccc1 13328630 ZOCSWEPBSDFPHD-CYBMUJFWSA-N 345.420 3.628 0 50 EHAA Cc1ccc(S(=O)(=O)c2cnc3cc(F)c(F)cc3c2O)cc1C 67340583 VOSZQKPSAQKMFP-UHFFFAOYSA-N 349.358 3.668 0 50 EHAA CN(Cc1nc2ccccc2s1)C(=O)c1cccc(-n2cccn2)c1 77437179 WTOBDYXASLLOQE-UHFFFAOYSA-N 348.431 3.754 0 50 EHAA Cc1cc(C)c(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)cn1 91780765 DLTDDCWRGZFVNG-UHFFFAOYSA-N 348.450 3.903 0 50 EHAA Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1ccncc1 131042952 DFOHYNRRQBGGMU-YJYMSZOUSA-N 335.407 3.696 0 50 EHAA CC1(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)CCOCC1 158015650 NYOVPWBQYDBAHM-UHFFFAOYSA-N 347.418 3.596 0 50 EHAA CCCO[C@H]1O[C@@H]1C[Si](C)(C)[Si](C)(C)C[C@H]1O[C@H]1OCCC 169814846 GOSAYCBCKAOBLJ-FPCVCCKLSA-N 346.616 3.785 0 50 EHAA Cc1noc(Cl)c1CCC(=O)Nc1nc2c(s1)CCCC2 195291229 FCJIIVXBTMOCPE-UHFFFAOYSA-N 325.821 3.543 0 50 EHAA Cc1cc(CNC(=O)[C@H](C)SCc2ccc(Cl)cc2)ccn1 223077345 DKVOXWJQBAXUSX-ZDUSSCGKSA-N 334.872 3.982 0 50 EHAA Cc1noc(C)c1[C@H](C)NC(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1 229947601 GZEDPNSCASCQPP-JRPNMDOOSA-N 349.456 3.586 0 50 EHAA C[C@H]1C[C@@H](C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CCO1 271910878 SAOHLTDLVGUHOD-ZFWWWQNUSA-N 335.407 3.984 0 50 EHAA COc1cccc(C2(NC(=O)[C@H]3CCCc4c(O)cccc43)CC2)c1 276428808 HESFHSQDSGRBRT-SFHVURJKSA-N 337.419 3.626 0 50 EHAA O=C(C[C@H]1CCCOC1)N1CCC(Oc2cccc(Cl)c2)CC1 299794373 KLCDBOUDQRQZAI-CQSZACIVSA-N 337.847 3.527 0 50 EHAA CC(C)Oc1ccc(CNC[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1 328621369 AJPLCEKWDZGTOL-FPOVZHCZSA-N 339.483 3.651 0 50 EHAA Cc1noc([C@@H](NCc2c(C)cc(Cl)cc2C)C2CCOCC2)n1 328645477 ZRSLNWAMMYYCKX-KRWDZBQOSA-N 349.862 3.906 0 50 EHAA Cc1nc([C@H]2CCOC2)cc(=NCC2(c3ccccc3)CCCC2)[nH]1 426405846 YAUCOZXDXFQGMQ-KRWDZBQOSA-N 337.467 3.635 0 50 EHAA Cc1cc([C@H]2CCCN2Cc2ccc3oc(C(=O)O)cc3c2)no1 738379651 OTIGCCWQWXLSNM-OAHLLOKOSA-N 326.352 3.765 0 50 EHAA Cc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)ccc1Cl 823639160 TUFHAWDMMWMBRB-UHFFFAOYSA-N 330.815 3.911 0 50 EHAA Cc1cc2cccc(C(=O)NCc3nncn3C3CCCCC3)c2o1 825151486 BNSSFIJNLQRWIP-UHFFFAOYSA-N 338.411 3.768 0 50 EHAA Cc1ccc(Cc2noc(C[C@H]3CC(=O)Nc4ccccc43)n2)cc1 903977362 UBPAGHPNNSDYRX-OAHLLOKOSA-N 333.391 3.637 0 50 EHAA Cc1ccc(C(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)n1C(F)F 952968245 IYBWQACXCZMXDL-LLVKDONJSA-N 347.365 3.959 0 50 EHAA CCn1ccc(CN(Cc2ccccc2)Cc2scnc2C)n1 952976742 GTFBRVWMSABIBD-UHFFFAOYSA-N 326.469 3.870 0 50 EHAA Cc1cc(C(=O)N(C)Cc2cccc(O)c2)ccc1OC(F)(F)F 1465841748 JQSQDQGPJKIPNT-UHFFFAOYSA-N 339.313 3.871 0 50 EHAA Cc1ccc(-c2nc(NC(=O)c3cc(-c4ccccc4)on3)no2)cc1 1775977040 VOMKAOQYROEANH-UHFFFAOYSA-N 346.346 3.952 0 50 EHAA C[C@]1(C(=O)NCCc2ccc(F)cc2Cl)Cc2ccccc2N1 1875354763 OAKYSIMXFDNCEM-GOSISDBHSA-N 332.806 3.565 0 50 EHAA O=C([C@H]1CCC=CCCC1)N1Cc2ccccc2O[C@]2(CCOC2)C1 2325770175 NTVFMBGFKGFUNO-LAUBAEHRSA-N 341.451 3.703 0 50 EHAA CCN(CC)C(=O)[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 214471 SLLZPBXWZJJYKU-ZDUSSCGKSA-N 326.843 3.560 0 50 EHAA CCC1=NN(C(=O)c2ccccc2Cl)[C@](O)(c2ccccc2)C1 324112 VAUVISZHDWBMSA-GOSISDBHSA-N 328.799 3.797 0 50 EHAA Cc1n[nH]c(C)c1SCC(=O)Nc1cccc(Br)c1 1051738 XVUOWOYQYPCHHK-UHFFFAOYSA-N 340.246 3.520 0 50 EHAA CCOC(=O)C(C(=O)OCC)C(c1ccccc1)c1ccccc1 1632927 PUHBCPOCAFDZJS-UHFFFAOYSA-N 326.392 3.561 0 50 EHAA Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2nccs2)n1 2881809 ABRRUVAWAGJYRO-UHFFFAOYSA-N 342.449 3.639 0 50 EHAA C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(C(F)(F)F)nc2ccccc21 4107071 FVZGLESQZIKOLB-RYUDHWBXSA-N 339.361 3.845 0 50 EHAA O=C(O)c1cc(Cl)c(Cl)cc1C(=O)NCCc1ccccc1 4819020 WXNGWXHANLKUKC-UHFFFAOYSA-N 338.190 3.664 0 50 EHAA CSc1ccccc1S(=O)(=O)Nc1c(C)ccnc1Cl 225391596 XPOGDAZQCCKSQO-UHFFFAOYSA-N 328.846 3.566 0 50 EHAA Cc1ccsc1[C@@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 9339122 TYARJNJWHKMTRT-SUMWQHHRSA-N 328.437 3.802 0 50 EHAA COc1cccc(CO[C@H](C)C(=O)Nc2ccc(O)c(Cl)c2)c1 111667080 CJLSVGXWUBZUNS-LLVKDONJSA-N 335.787 3.598 0 50 EHAA O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 67673551 APIXEQMXVHOKDB-OAQYLSRUSA-N 349.434 3.758 0 50 EHAA Cc1occc1C(=O)N1CCN(Cc2cccc3ccccc23)CC1 20295941 ZPKXHVQDSTWETQ-UHFFFAOYSA-N 334.419 3.699 0 50 EHAA COc1cc2c(cc1[C@@H]1CC(=O)Nc3cc4[nH]ncc4cc31)CCC2 67513703 NHQNIANKNMGRCV-CQSZACIVSA-N 333.391 3.534 0 50 EHAA C[C@H]1Cc2cc(-c3c(-c4ccccc4)ncn3CCCO)ccc2O1 65382031 SSECPSDKZSSTFX-HNNXBMFYSA-N 334.419 3.923 0 50 EHAA O=C(OCc1ccc(Cl)cc1Cl)c1ccc(-n2cnnc2)cc1 1429018 SMGNHYRHXVRUQV-UHFFFAOYSA-N 348.189 3.931 0 50 EHAA CCOC(=O)c1cnn2c(C(F)F)cc(-c3cccc(OC)c3)nc12 2784530 SIFOKTJQNPNROW-UHFFFAOYSA-N 347.321 3.519 0 50 EHAA CCn1cc(CN2CCC[C@H](COc3ccc(F)cc3)C2)c(C)n1 72171473 JEMIEDLDDSJQPV-INIZCTEOSA-N 331.435 3.642 0 50 EHAA COc1ccc(CCN(Cc2ccoc2)CC2CCN(C)CC2)cc1 11818477 NWIJLBJNENJCMX-UHFFFAOYSA-N 342.483 3.675 0 50 EHAA O=C(Cc1ccc(F)cc1Cl)NCc1cc2cc(F)ccc2[nH]1 219848148 HDNLAWBYZVVFTN-UHFFFAOYSA-N 334.753 3.958 0 50 EHAA C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1Nc1cccc(-c2ncco2)c1 253370663 ULGNNHDZKHFOFQ-AYOQOUSVSA-N 341.455 3.643 0 50 EHAA Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C2)n1 257365611 XWAUFWUARIYYBP-IKGGRYGDSA-N 326.465 3.961 0 50 EHAA Cc1cc2c(N3CCC[C@@H](OCc4cccnc4)C3)ncnc2s1 77421548 FUSNVLIGJODXJY-OAHLLOKOSA-N 340.452 3.580 0 50 EHAA CC1(C)C[C@@H](NC(=O)NC2CCC(c3ccccc3)CC2)CCO1 125619296 YDFNMBCULQHJKX-ABHNRTSZSA-N 330.472 3.970 0 50 EHAA CC(=O)c1ccc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)cc1C 156769065 FIOXHHSWVFQXID-QGZVFWFLSA-N 343.471 3.537 0 50 EHAA COc1ccccc1NC(=O)c1cc(C(C)C)nc2onc(C)c12 36358093 UDIMDMUYCJMTMY-UHFFFAOYSA-N 325.368 3.916 0 50 EHAA CC[C@H]1COCCN1C(=O)c1cc(N2CCCCC2)ccc1Cl 77344230 IYFBMUYTNIMXNT-AWEZNQCLSA-N 336.863 3.581 0 50 EHAA Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)co1 279832647 FCAVMHHRTLFSGN-SWLSCSKDSA-N 339.313 3.555 0 50 EHAA Cc1nn(C)c2c1[C@@H](c1ccc(OC3CCCC3)cc1)CC(=O)N2 72117320 GVOVPPDERVGQAH-MRXNPFEDSA-N 325.412 3.524 0 50 EHAA CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc2nc(C)ccc2o1 281918407 VKLDISFNRAPLRT-HNNXBMFYSA-N 338.411 3.720 0 50 EHAA O=C1OC2(CCCCC2)OC(O)=C1c1c(F)c(F)nc(F)c1Cl 328579005 HEXSKYSWPWIPAZ-UHFFFAOYSA-N 349.692 3.613 0 50 EHAA CN1C[C@@H]2CN(C(=O)c3cccc4[nH]ccc34)C[C@@H]2[C@H]1c1ccccc1 241466207 NVOFFOINPHZWON-LKUPVBHCSA-N 345.446 3.543 0 50 EHAA Cc1ccc2ncnc(N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)c2c1 241846671 SMSCARIYNGEJFK-HYEGPXJVSA-N 325.456 3.704 0 50 EHAA CCc1ccc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)[nH]1 220472647 GWRIOXDTLVLEBZ-QGZVFWFLSA-N 326.440 3.910 0 50 EHAA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCC[C@@H]1c1nccs1 222965766 ALCYELOATDFSRI-CYBMUJFWSA-N 330.438 3.572 0 50 EHAA Clc1cccc(CN2CCCC[C@@H]2CN2CCOCC2)c1Cl 97797727 XNOLBYYYTJNYEC-OAHLLOKOSA-N 343.298 3.680 0 50 EHAA CCCc1cc(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)[nH]n1 91504644 KRZIIXSKPBGOAE-SNVBAGLBSA-N 325.334 3.872 0 50 EHAA CCc1cc(=O)c2cc(NC(=O)c3cccc(F)c3F)ccc2[nH]1 180993334 KPWHMXZJQJFRQH-UHFFFAOYSA-N 328.318 3.621 0 50 EHAA C[C@@H](NCc1ccc(Oc2ccc(F)cc2)nc1)c1nccn1C 182489626 DILUMTSKNWDRRS-CYBMUJFWSA-N 326.375 3.597 0 50 EHAA CC(C)c1cc(C(=O)N[C@H]2CCCOc3c(Cl)cccc32)nn1C 182555054 AUSIZYZAJKJNLC-AWEZNQCLSA-N 347.846 3.841 0 50 EHAA Cc1ccc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)s1 299778923 IUQHFLIVRSVKTC-OTWHNJEPSA-N 340.492 3.898 0 50 EHAA COCC1(CNC(=O)CSC23CC4CC(CC(C4)C2)C3)CCC1 824346828 GIHWYUYMWNSHKU-UHFFFAOYSA-N 337.529 3.621 0 50 EHAA Cc1ccc(NC(=O)CCc2ccncc2)cc1NC(=O)C(C)C 828047551 MXPPFOZZVOWZIY-UHFFFAOYSA-N 325.412 3.556 0 50 EHAA CCn1c(C)cc2cc(NC(=O)[C@H]3CC(=O)OC34CCCC4)ccc21 952868971 CLVNMIVXNXEJAX-MRXNPFEDSA-N 340.423 3.784 0 50 EHAA CC[C@@](NC(=O)[C@H](C)Sc1ccccc1)(C(=O)O)c1ccccc1 170592056 VWQPJNOOJVNPKT-LIRRHRJNSA-N 343.448 3.674 0 50 EHAA CC(C)n1ccnc1CN1CCO[C@@H](c2ccc(F)cc2Cl)C1 187877253 AMJCBWQSNHALLO-MRXNPFEDSA-N 337.826 3.830 0 50 EHAA CCOc1cc(C)ccc1CNC(=O)c1cccnc1C(F)(F)F 188409110 PNBVFQHEBMWWPJ-UHFFFAOYSA-N 338.329 3.738 0 50 EHAA Cc1cc(C)n(CCC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)n1 747318527 KAWPNXULCKTENC-KRWDZBQOSA-N 348.450 3.829 0 50 EHAA Cc1conc1CNc1nc(C(F)(F)F)c(Br)s1 1336715820 ZGXMASSUXYJCKT-UHFFFAOYSA-N 342.140 3.833 0 50 EHAA O=C(NCc1cccnc1)c1ccccc1OCCc1ccccc1 12404373 GOUNLBRSXOPICQ-UHFFFAOYSA-N 332.403 3.633 0 50 EHAA Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCC(C)CC2)o1 15860281 JAARDNCVWRKJBN-SFHVURJKSA-N 344.430 3.930 0 50 EHAA COc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)cc1 18202862 VCVGMKODPRMVJK-GFCCVEGCSA-N 335.363 3.735 0 50 EHAA CC(C)N[C@@H](NC(=O)c1ccccc1Cl)C(Cl)(Cl)Cl 19315339 CYARMALMOWRBNE-NSHDSACASA-N 344.069 3.764 0 50 EHAA CCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1 19498376 SXKOCXTXIUNMEN-UHFFFAOYSA-N 337.463 3.674 0 50 EHAA CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)NC1=S 6401100 NTAZMGRCHMWSJO-UKTHLTGXSA-N 332.812 3.678 0 50 EHAA O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1 2555633 XBRPIBMAJOTVHG-LJQANCHMSA-N 349.386 3.762 0 50 EHAA in-vitro C[C@@H](CCNC(=O)CC1CCNCC1)c1cccc(C(F)(F)F)c1 237559300 YVXDITRPHOEUCW-ZDUSSCGKSA-N 342.405 3.705 0 50 EHAA Cc1ccccc1[C@H]1C[C@H](C)N(Cc2ccc(OCC(=O)O)cc2)C1 902519465 BPIXHVZKNZTOED-WMZOPIPTSA-N 339.435 3.836 0 50 EHAA C[C@H](OC(=O)c1ccc2c(c1)SCC(=O)N2)c1cccc(F)c1 810553315 FRYKKDOOSAEBBA-JTQLQIEISA-N 331.368 3.788 0 50 EHAA Cc1ccc(-c2noc(/C=C/COC3CCOCC3)n2)cc1Cl 867020803 QWZJQSDFKRHGJH-NSCUHMNNSA-N 334.803 3.907 0 50 EHAA NCc1ccc(-c2noc(C3C[C@@H]4CCCC[C@H](C3)C4=O)n2)c(F)c1 872177991 JUIXLNVOXPNGFN-PBWFPOADSA-N 343.402 3.587 0 50 EHAA O=C(O)[C@H]1C[C@@H](C(=O)N[C@H](CC(F)(F)F)c2ccc(Cl)cc2)C1 1875278109 ZPBIFMUQOFENCR-JFGNBEQYSA-N 349.736 3.561 0 50 EHAA Cc1nc(CC(C)C)c(NC(=O)N=c2cc(C)n(C3CC3)[nH]2)s1 1875358387 UMSANZXHIXXKFT-UHFFFAOYSA-N 333.461 3.556 0 50 EHAA Cc1ncoc1-c1noc([C@H]2CCCCN2Cc2cccc(F)c2)n1 1776006026 LVDLJCMUOGWTRL-OAHLLOKOSA-N 342.374 3.899 0 50 EHAA C[C@H](Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)[C@H]1CCOC1 386456103 MTFBSTPABIYWPQ-ZFWWWQNUSA-N 332.444 3.774 0 50 EHAA Cc1cccc2c(=NCc3nc(-c4ccc(F)cc4)n[nH]3)cc[nH]c12 2325742306 QUKGYASGPWSFQZ-UHFFFAOYSA-N 333.370 3.501 0 50 EHAA Cc1ccc(F)c2c1CCN(Cc1ncsc1Br)C2 2325828439 HHZXBFZUFJGKAR-UHFFFAOYSA-N 341.249 3.911 0 50 EHAA Cc1cc(C)n2c(SCc3ccc(Br)cc3)nnc2n1 38101 VJNDBHMXHCQCBZ-UHFFFAOYSA-N 349.257 3.796 0 50 EHAA COc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 453681 AWCSQLYXCHXFBB-UHFFFAOYSA-N 326.377 3.568 0 50 EHAA O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccs1 464548 NWVMQZSHDBBRGH-UHFFFAOYSA-N 345.493 3.865 0 50 EHAA Oc1cccc(Nc2nc(NC[C@@H]3CCCO3)c3ccccc3n2)c1 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COCc1ccc(CN2CCC[C@H](N(C)CCc3ccccc3)C2)o1 20206190 BHVJUKDYKHRGCC-IBGZPJMESA-N 342.483 3.565 0 50 EHAA O=C(c1cnc2cc(-c3ccc(Cl)cc3)nn2c1)c1ccccc1O 21729143 BDVJYDQSFMDNFI-UHFFFAOYSA-N 349.777 3.986 0 50 EHAA O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1C[C@H]1c1ccc(F)cc1F 246763986 OBGBBNLGFPJXBM-ZMSDIMECSA-N 329.346 3.708 0 50 EHAA O=C(Nc1cccc(F)c1)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 20277265 AHFOBMYUINMOLQ-MRXNPFEDSA-N 346.789 3.722 0 50 EHAA CCN1CCN(CCCOc2cccc(Oc3ccccc3)c2)CC1 20406384 ZWELAGMJTNSUAA-UHFFFAOYSA-N 340.467 3.885 0 50 EHAA CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(F)cc2)cc1 20279843 CTWNURWOTHJIGR-GOSISDBHSA-N 340.398 3.631 0 50 EHAA Cc1nccn1-c1ccccc1CNC1CCC2(CCNCC2)CC1 67802840 MQOCCWHTKUNHDG-UHFFFAOYSA-N 338.499 3.583 0 50 EHAA COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2C(=O)O)cc1 25762059 UAIOEVXISNTUHQ-UHFFFAOYSA-N 328.755 3.900 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)o1 229742123 XJZLEPAUZHVJEY-LSDHHAIUSA-N 343.427 3.696 0 50 EHAA Cc1nn(Cc2ccc(C(=O)N3CCC[C@H](C)C3)o2)c(C)c1Cl 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0 50 EHAA CC(C)(C)c1cc(-c2nccn2Cc2cc(-c3ccco3)on2)n[nH]1 77521583 FIUPFHMCYPOEHS-UHFFFAOYSA-N 337.383 3.867 0 50 EHAA O=C(C/C=C/c1ccccc1F)NC1CCN(CC2CCCC2)CC1 175919436 XQPBPCAJFCBZQD-WEVVVXLNSA-N 344.474 4.000 0 50 EHAA COc1ccccc1N1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O 239306063 GJNOPYUJLDFLKT-BRWVUGGUSA-N 335.403 3.769 0 50 EHAA CC[C@@H](NC(=O)[C@H]1CCn2c(cnc2C)C1)c1ccc(Cl)cc1 289367100 JNKDPMJBFVTHFO-WMLDXEAASA-N 331.847 3.675 0 50 EHAA O=C(Nc1nccs1)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 245326043 IRMDTKFPRBMPDC-QGKZMRNZSA-N 331.268 3.938 0 50 EHAA CC(C)(C)OC(=O)NCC1(Cc2cccc(Cl)c2)CCNCC1 255187078 BDTIRFWCAXPAJH-UHFFFAOYSA-N 338.879 3.777 0 50 EHAA O=C(CCc1ccsc1)N1Cc2cccc(Br)c2C1 184243392 CXPXFCJDWXWDCO-UHFFFAOYSA-N 336.254 3.986 0 50 EHAA O=C(Nc1ccccc1Oc1ccccc1)N1CCCC[C@H]1CO 299791330 CKCOOTRJELQABQ-HNNXBMFYSA-N 326.396 3.858 0 50 EHAA COc1ccccc1CN1CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12 299780835 CZXWAFYDZVTQNU-HLAWJBBLSA-N 345.483 3.634 0 50 EHAA CC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 186139120 HUBLNNWZLXDTGV-NWDGAFQWSA-N 337.345 3.699 0 50 EHAA Cc1noc(Cl)c1CCC(=O)Nc1cnn(C2CCCC2)c1C 192997763 SFIZQQWPFGOEPE-UHFFFAOYSA-N 336.823 3.828 0 50 EHAA c1ccc2c(c1)CCC[C@@H](NC1CCN(c3nccs3)CC1)C2 648566873 LLLCUATWAOPAJT-GOSISDBHSA-N 327.497 3.649 0 50 EHAA c1csc(N2CCC(N[C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)c1 194076643 ZNSNUBBONITUCJ-BPQIPLTHSA-N 332.513 3.654 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)CC(C)(C)c3ccccc3)C[C@@H]21 1704325408 JIYRIBDNWRDGAL-PLMTUMEDSA-N 329.484 3.754 0 50 EHAA Cc1nc(C)c(C(=O)N2CCC3(CC2)OCCc2sccc23)s1 1704343523 DLVWSPSITJTZOV-UHFFFAOYSA-N 348.493 3.526 0 50 EHAA O=c1cc(Cc2ccccc2)[nH]c2cc(-c3ccc(Cl)cc3)nn12 5999318 JFEBVPSQHLWSMA-UHFFFAOYSA-N 335.794 3.934 0 50 EHAA CCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-c2ccc(F)cc2)c1 11841123 QVAHFIOFJYPZGT-GOSISDBHSA-N 340.398 3.832 0 50 EHAA CSc1cccc(CN2CCC(CCC(=O)NC3CC3)CC2)c1 11958132 XRBXTVGIGVGYAZ-UHFFFAOYSA-N 332.513 3.679 0 50 EHAA CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 12138575 KKOWLCHCMKYRSS-UHFFFAOYSA-N 338.407 3.574 0 50 EHAA CCCOc1cc(OCCC)cc(C(=O)NCc2cccnc2)c1 13281831 GANDYNWMLDHLLG-UHFFFAOYSA-N 328.412 3.589 0 50 EHAA CSc1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1 14898378 DIERRRAUJSKROW-UHFFFAOYSA-N 326.425 3.559 0 50 EHAA COc1ccc(CN2CCN(Cc3ccc(SC)cc3)CC2)cc1 19832130 VHXJBEWMHDZJSF-UHFFFAOYSA-N 342.508 3.735 0 50 EHAA CC(C)(C)[C@H]1CN(C(=O)c2ccncc2F)C[C@@H](c2ccccc2)O1 1857712632 JTGLJPLGBMLAKJ-ZWKOTPCHSA-N 342.414 3.849 0 50 EHAA CC(C)Sc1ccc([C@@H](C)NC(=O)N2CC[C@H](CN(C)C)C2)cc1 129890010 CBZCGVJMOYRCLH-HZPDHXFCSA-N 349.544 3.841 0 50 EHAA Cc1noc([C@@H]2CCCO[C@H]2C2CCN(CCCC3CC3)CC2)n1 931841035 XEPWXWRILVREAL-MSOLQXFVSA-N 333.476 3.543 0 50 EHAA C[C@@H]1[C@@H](NC(=O)c2cccnc2)CCCN1Cc1ccccc1Cl 1875302971 PPESTHQSDUKDBG-KDOFPFPSSA-N 343.858 3.518 0 50 EHAA O=C(c1c[nH]cc1-c1ccccc1F)N1CCC(O)(C2CCC2)CC1 884977896 JHFVBLAMKNOSFB-UHFFFAOYSA-N 342.414 3.588 0 50 EHAA COc1ccc([C@H](C)NC[C@@H]2CCO[C@H]2c2ncc[nH]2)c(Cl)c1 888078151 PTUHULYSTGDRMI-MQIPJXDCSA-N 335.835 3.500 0 50 EHAA Cc1ccc(CN[C@@H]2CCO[C@H]2c2c(C)nn(C)c2C)cc1Cl 897666104 VJHZKGYDECKJCU-SJLPKXTDSA-N 333.863 3.619 0 50 EHAA O=S(=O)(Nc1ccc2cn[nH]c2c1)c1cc(Cl)ccc1Cl 1427085 MWPMLEHIISUOFB-UHFFFAOYSA-N 342.207 3.671 0 50 EHAA CC(C)(C)c1ccc([C@@H]2CCC[C@@H](OC(=O)Cn3cncn3)C2)cc1 2325725135 DGOCONMIQGOAPL-SJLPKXTDSA-N 341.455 3.845 0 50 EHAA O=C(CCC1CC(F)(F)C1)Nc1ccc(NC(=O)C2CCC2)cn1 2325781378 LEENPIJSVFZGMQ-UHFFFAOYSA-N 337.370 3.584 0 50 EHAA C[C@@H](CCC1CCCCC1)NC(=O)c1nnc2c(F)cccc2c1O 2325842267 SPDZFPCRUCBGDO-LBPRGKRZSA-N 345.418 3.953 0 50 EHAA Cc1nn(C)c(Cl)c1/C=C/c1cccc(OCCn2ccnc2)c1 2325855326 SJFVUPOAIFKMAG-VOTSOKGWSA-N 342.830 3.828 0 50 EHAA Cc1ccc(NC(=O)[C@H]2COc3ccccc3O2)c(Br)c1 130464 GXKIORLQMXWUCD-OAHLLOKOSA-N 348.196 3.536 0 50 EHAA O=C(Oc1ccc(I)cc1)c1cccs1 299425 QSKWIMPUOQZIBI-UHFFFAOYSA-N 330.146 3.572 0 50 EHAA Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1 309141 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Cc1cc(C(=O)N2CCCC[C@H]2c2ccn(C)n2)c2cccc(C)c2n1 82086738 PBGFYOAHZOOMGO-IBGZPJMESA-N 348.450 3.953 0 50 EHAA Cn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 82096790 AUZFGCZMJYTNOP-GFCCVEGCSA-N 338.238 3.747 0 50 EHAA CCOc1ccccc1CN(C(=O)NCc1cccc(C)n1)C1CC1 426612395 JOCWLVGTMANSLN-UHFFFAOYSA-N 339.439 3.663 0 50 EHAA Cn1c(C(=O)N2CC[C@@H](Oc3ccccc3)C2)cc2cc(F)ccc21 426593848 SKDWBZFTDRUHEP-QGZVFWFLSA-N 338.382 3.611 0 50 EHAA CCCCN(Cc1cccnc1)C(=O)c1cccc(-c2cnc[nH]2)c1 426511589 GRVZXTNNKFWVNI-UHFFFAOYSA-N 334.423 3.914 0 50 EHAA CCN(CCN(C)C)C(=O)c1ccc(-c2cc(F)ccc2OC)cc1 426628724 GIQPFKKQCLBJMX-UHFFFAOYSA-N 344.430 3.525 0 50 EHAA CC1=C(c2ccccc2)[C@@H]1C(=O)N1CCC(OCc2cccnc2)CC1 91656460 SBGMOGYJZOSVOC-OAQYLSRUSA-N 348.446 3.693 0 50 EHAA Cc1ccc2nc(C)c(C)c(C(=O)NCCCNc3cccnc3)c2c1 95524455 BNSDYYZKKMMFRU-UHFFFAOYSA-N 348.450 3.787 0 50 EHAA C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 248378468 JPPQYWISPXWYPP-HHJVODNISA-N 336.472 3.660 0 50 EHAA Cc1nc(N2CCC3(C=Cc4ccccc43)CC2)cc([C@H]2C[C@@H](O)C2)n1 244716239 LLLMSMNBINVVOX-HDICACEKSA-N 347.462 3.588 0 50 EHAA CCCC[C@H](NC(=O)C1(N2CCCC2)CCCC1)c1cccnc1 534576647 KMRZCQCLTXBZHY-SFHVURJKSA-N 329.488 3.838 0 50 EHAA Cc1cc(CSc2ncccc2C(=O)N2CCC=C(Cl)C2)no1 898190637 ITIWTNISEDFLMI-UHFFFAOYSA-N 349.843 3.639 0 50 EHAA CC(=O)Nc1cccnc1NC(=O)Cc1cccc(Cl)c1Cl 194479801 WKWZENNCTZVKJM-UHFFFAOYSA-N 338.194 3.528 0 50 EHAA CCCc1cc(NCc2ccccn2)n2nc3nc(C)cc(C)c3c2n1 5349159 VRELPDYHSCBQAR-UHFFFAOYSA-N 346.438 3.854 0 50 EHAA COC(=O)CCNc1nncc(-c2ccc(C3CCCCC3)cc2)n1 11661422 HAPKGANBAHJUIL-UHFFFAOYSA-N 340.427 3.561 0 50 EHAA c1ccc(N[C@H]2CCCN(Cc3cccc(-n4cccn4)c3)C2)cc1 11821513 PIFOVFZZBITQFY-FQEVSTJZSA-N 332.451 3.949 0 50 EHAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1 13327040 JMNRCSDTLFJQGW-UHFFFAOYSA-N 328.799 3.828 0 50 EHAA CCN(Cc1ccncc1)c1ccc(-c2nc(CC(C)C)no2)cn1 19732208 MSHVVWISCPGREJ-UHFFFAOYSA-N 337.427 3.752 0 50 EHAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N[C@H](C)c1ncsc1C 1857735122 JAMYNSMLGDWVBO-LLVKDONJSA-N 326.425 3.641 0 50 EHAA O=C(Nc1ccc(OC(F)F)nc1)N1CC[C@H]1c1ccc(F)cc1 931321232 MXAMQZPIVLFBTP-ZDUSSCGKSA-N 337.301 3.801 0 50 EHAA CC[C@H]1COCCN1C(=O)Nc1cccc(Oc2ccccc2)n1 934427988 AUBGLWKNACYNED-AWEZNQCLSA-N 327.384 3.517 0 50 EHAA Cc1cccc2c(C(=O)N3CCC[C@H]3Cc3cccs3)cnn12 1875308470 HLXSHFSKCNJQIQ-AWEZNQCLSA-N 325.437 3.552 0 50 EHAA CCOC(=O)c1c(NC(=O)CCOc2ccccc2)sc(C)c1C 67487 PWCZIDNXDGOHGD-UHFFFAOYSA-N 347.436 3.949 0 50 EHAA Cn1cnc2c1CCC[C@H]2C(=O)Nc1ncc(-c2ccccc2)s1 2325779613 SCASYJWKIRJKMU-CYBMUJFWSA-N 338.436 3.602 0 50 EHAA CC(C)(C)n1ccnc1CNC[C@@H](O)c1cc2ccccc2s1 2325806151 ZJVIASXCRFUNCD-CQSZACIVSA-N 329.469 3.676 0 50 EHAA C[C@H]1CC[C@H]2CN=C(N[C@@H](C)c3ccc(Br)cc3)N2C1 2325863922 AFHNGAKCZKEJJE-HUBLWGQQSA-N 336.277 3.570 0 50 EHAA CCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)c2ccccc12 229549 CLYPHKWGOSSFIF-AWEZNQCLSA-N 333.453 3.802 0 50 EHAA COc1ccccc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 294105 JHACABAAEDTQPG-UHFFFAOYSA-N 329.739 3.707 0 50 EHAA Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)c(Cl)c1 307528 KKYXMCUUJAVLAX-UHFFFAOYSA-N 340.235 3.824 0 50 EHAA O=S(=O)(NCc1ccco1)c1ccc(Cl)c(Cl)c1Cl 452351 UJXROMDCDMEUTC-UHFFFAOYSA-N 340.615 3.718 0 50 EHAA CC(=O)Nc1cccc(-c2nnc(SCc3ccccc3)o2)c1 6729509 UIOHHQFOZFZVOW-UHFFFAOYSA-N 325.393 3.987 0 50 EHAA Cc1cc(NCc2cccnc2)n2ncc(-c3ccc(F)cc3)c2n1 9060841 OOBSUKOSXLVKFO-UHFFFAOYSA-N 333.370 3.851 0 50 EHAA C[C@@H]1CCCN(CCC(=O)N(C)Cc2cc3ccccc3s2)C1 20271921 HAKDYQIYGSXLNP-OAHLLOKOSA-N 330.497 3.982 0 50 EHAA CC(C)CNC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2780989 MOSQTVCQAZTWMT-QMMMGPOBSA-N 337.773 3.766 0 50 EHAA Cc1cc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)ccn1 119543291 SZTXUPVTSPJRGG-SJLPKXTDSA-N 325.412 3.679 0 50 EHAA C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](CN2CCCCCC2)C1 229562692 INSZUGQZZQQQHM-CVEARBPZSA-N 332.492 3.596 0 50 EHAA CC(C)C[C@H](O)C1CCN(C(=O)c2ccccc2N2CCCC2)CC1 77394229 DKPWARPYWKWXOY-FQEVSTJZSA-N 344.499 3.546 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2Cn2ccnc2C)cc1F 151576655 QSPNMIDDPASDNN-PBHICJAKSA-N 344.434 3.574 0 50 EHAA CC(C)c1noc([C@H]2CCCN2Cc2ccc(-c3cc[nH]n3)s2)n1 77354502 ZPICAMXCLOMGHW-CQSZACIVSA-N 343.456 3.982 0 50 EHAA CCc1cc(NCc2cc(-c3ccccc3OC)no2)n2nccc2n1 72430056 MVUOEJPEOWSEEY-UHFFFAOYSA-N 349.394 3.567 0 50 EHAA O=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1c1cccc(F)c1 77457438 WHXIVKDIAHSFSE-INIZCTEOSA-N 327.355 3.922 0 50 EHAA Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 33086904 HHQJYZZINSNDMT-JTQLQIEISA-N 346.861 3.532 0 50 EHAA CCCOc1c(CN2CC[C@H](c3cnn(C)c3)C2)cccc1OCC 128458631 BFOKBDJEVRFOEX-INIZCTEOSA-N 343.471 3.597 0 50 EHAA Fc1cnccc1CN[C@@H]1CCOc2c(Br)cccc21 449305734 HREQGADFOPVTQT-CQSZACIVSA-N 337.192 3.597 0 50 EHAA Cc1nc(N2CC(C(F)(F)F)C2)c2c3c(sc2n1)CCCC3 242324472 ZBPAWMXAHSBUNF-UHFFFAOYSA-N 327.375 3.877 0 50 EHAA C[C@H]([C@@H]1CCCO1)n1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 17070773 YSISXRAGZZJPCJ-KOLCDFICSA-N 336.482 3.739 0 50 EHAA Sc1nnc(CC23CC4CC(CC(C4)C2)C3)n1C[C@@H]1CCCO1 17068694 LCNBSUSYBVRALT-URZJAHPPSA-N 333.501 3.505 0 50 EHAA Cc1cccc2[nH]c(CCC(=O)N(C)[C@@H]3CCc4ccccc43)nc12 175289140 QVFRVKUWJOBMRP-GOSISDBHSA-N 333.435 3.950 0 50 EHAA C[C@H](Cc1cnccn1)N(C)Cc1cc(CN2CCCCC2)cs1 97638001 XMOBPLJGQQVCJQ-MRXNPFEDSA-N 344.528 3.587 0 50 EHAA Cc1scc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c1C 184057819 GCYFPVSUFOJCRQ-UHFFFAOYSA-N 347.455 3.714 0 50 EHAA O=C(C[C@@H](Cc1ccccc1)c1ccco1)NC1(C(=O)O)CCCC1 299800073 ZPRYBRDVFUHLDW-MRXNPFEDSA-N 341.407 3.510 0 50 EHAA O=C(c1cccc2nc(O)[nH]c12)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1332890761 AMWXFZSJHWFXAD-YCRPNKLZSA-N 347.418 3.810 0 50 EHAA CCCCc1nc(CN2CC[C@](O)(C3CCC3)[C@@H](C)C2)c(Cl)[nH]1 1565515639 QGXRGVIQXPDBFB-SCLBCKFNSA-N 339.911 3.779 0 50 EHAA C[C@@H]1CCN(C(=O)CCOCC(F)(F)C(F)F)c2c(O)cccc21 277078828 QMMGXZOMWXHFBG-SNVBAGLBSA-N 349.324 3.540 0 50 EHAA CN1CCCN(C(=O)c2coc(C3CCC3)n2)c2cc(F)ccc21 194439759 FJSMMJCIUXTGKT-UHFFFAOYSA-N 329.375 3.568 0 50 EHAA O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)C1CCCC1 13009520 YQHGZNHRFMBXLT-UHFFFAOYSA-N 348.410 3.535 0 50 EHAA CCc1ccc([C@@H]2C[C@H](c3ccccc3C)n3nc(N)nc3N2)cc1 13131861 HCKGLSSUSCFFTE-ZWKOTPCHSA-N 333.439 3.877 0 50 EHAA C[C@H](NC(=O)Nc1ccc(F)cn1)c1ncc(-c2ccccc2)o1 122943252 OXMCJDXJTNKCMO-NSHDSACASA-N 326.331 3.758 0 50 EHAA NC(=O)c1ccc(N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)nc1 343256013 YBBZZUKOVHVPBN-CQSZACIVSA-N 349.356 3.583 0 50 EHAA C[C@H](c1ccccc1Cl)N(C)C(=O)c1cnn(-c2cccnc2)c1 345255110 BLLHAXTYFFYQOA-CYBMUJFWSA-N 340.814 3.754 0 50 EHAA C[C@H](C1CCCCC1)N(C)C(=O)NCc1nnc(C(C)(C)C)s1 252499322 RYTKYKLPKKVSKA-GFCCVEGCSA-N 338.521 3.946 0 50 EHAA Cc1cc(N)ncc1-c1noc(C2(Cc3cccc(F)c3)CCC2)n1 904268846 KXPMGYABEDYOIY-UHFFFAOYSA-N 338.386 3.826 0 50 EHAA C[C@@H](c1ccccc1)N(C(=O)c1c2c(nn1C)CCC2)c1ccccn1 906112352 OYOVWLLCOLFKNY-HNNXBMFYSA-N 346.434 3.712 0 50 EHAA Cc1nnc([C@H]2CN(Cc3cc(Cl)cc4ccccc34)CCO2)o1 930265676 WOCNBCLGTAUAAD-QGZVFWFLSA-N 343.814 3.758 0 50 EHAA CCCc1cc(C(=O)N2CCCC[C@H]2c2nccs2)cc(O)n1 931866775 QYVZUCVBIAJYJJ-AWEZNQCLSA-N 331.441 3.564 0 50 EHAA CCc1cc(C2CC2)nc(NC(=O)c2cc3cccc(OC)c3o2)n1 952845989 ZEVMGADTXMSVQU-UHFFFAOYSA-N 337.379 3.924 0 50 EHAA Cc1csc2ncnc(NCc3cc(OCC(F)F)ccn3)c12 1321861754 VMOJCHBNDKKPCN-UHFFFAOYSA-N 336.367 3.651 0 50 EHAA CCOc1ccc(NS(=O)(=O)c2ccc(OCC)c(C)c2)cc1 2882824 UXTPTILCMFAUQB-UHFFFAOYSA-N 335.425 3.593 0 50 EHAA O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ccccc2)CC1 282538 KREWGBOLQRQFJN-UHFFFAOYSA-N 336.769 3.581 0 50 EHAA N[C@]1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccsc3)nc2)C1 2325857262 VNAMHUDKWJTKIR-HXUWFJFHSA-N 349.459 3.510 0 50 EHAA Cc1cc(C)nc(SCC(=O)Nc2ccccc2C(F)(F)F)n1 310150 AGJFCROWIVPVCO-UHFFFAOYSA-N 341.358 3.843 0 50 EHAA COC(=O)c1c(C)oc2ccc(OC(=O)c3ccccc3OC)cc12 311635 DRBUGDOAUYWJJY-UHFFFAOYSA-N 340.331 3.756 0 50 EHAA biogenic COc1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1 426502 PJLFCYBFYWLIIY-UHFFFAOYSA-N 337.427 3.959 0 50 EHAA COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc(F)cc2F)c1 609678 MYEZZBXQPZHWDS-JTQLQIEISA-N 336.338 3.865 0 50 EHAA COC(=O)c1ccccc1NC(=O)CCCOc1cccc(C)c1 1773735 MWKXHNOJFUTHOC-UHFFFAOYSA-N 327.380 3.579 0 50 EHAA CC[C@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 2567713 WTPAXDRULIZRDJ-ADNJVRNUSA-N 337.847 3.666 0 50 EHAA in-vitro CCN(CC)C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2799201 ZREWOQRNHHEJOH-UHFFFAOYSA-N 345.292 3.897 0 50 EHAA CCOC(=O)c1csc(NC(=O)Nc2cccc(Cl)c2)n1 4072501 PWOZQVRYZOCPKP-UHFFFAOYSA-N 325.777 3.617 0 50 EHAA O=C(c1ccccc1-c1nc(-c2ccc(F)cc2)no1)N1CCCC1 4295604 JRZFNUSNDHFQLH-UHFFFAOYSA-N 337.354 3.779 0 50 EHAA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(Cl)c2)CC(=O)N1 4986922 YEKZYWPPGCSXFW-HNNXBMFYSA-N 333.815 3.703 0 50 EHAA Cc1ccc([C@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)OC3)cc1 6702033 HKRHFHSTRAWJDX-QGZVFWFLSA-N 333.387 3.635 0 50 EHAA CCc1noc(C)c1C(=O)Nc1c(F)cc(F)cc1Br 13325623 LCRMPMOBWMJEJX-UHFFFAOYSA-N 345.143 3.838 0 50 EHAA COCc1ccc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)o1 15066155 PHNSJTATBQDPIV-CQSZACIVSA-N 336.382 3.781 0 50 EHAA CCn1nc(C)c(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)c1C 20600276 FYGPEHNOOPSZPG-HXUWFJFHSA-N 340.515 3.616 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c(C)n1 54033731 WZRYDPWBEDXZLJ-QGZVFWFLSA-N 326.396 3.509 0 50 EHAA CC(=O)Oc1c(C)cc(CN[C@@H](C)c2cn3ccsc3n2)cc1C 55393585 YVUWFFZZKCHYPW-ZDUSSCGKSA-N 343.452 3.789 0 50 EHAA CNc1ncccc1C(=O)N(Cc1ccc(SC)cc1)C1CC1 55402815 GWOVWUWEBDDNKK-UHFFFAOYSA-N 327.453 3.650 0 50 EHAA Cc1ccc(NC(=O)[C@H](C)NCc2ccccc2-n2ccnc2C)cc1 65395450 NVJJNKJJWKYCDU-INIZCTEOSA-N 348.450 3.606 0 50 EHAA CC[C@@H](c1nc(C2CC2)nn1-c1ccc(C)c(C)c1)N1CCOCC1 65398989 LZTSPFCTFSPOEL-SFHVURJKSA-N 340.471 3.545 0 50 EHAA O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@@H]1CCN1CCCC1 82096539 BQQPRSBFJWLKAG-OAHLLOKOSA-N 338.854 3.960 0 50 EHAA CSCc1nc(CNC(=O)C[C@H]2CCc3ccccc32)cs1 91574993 NJZSKIUUEIZUMK-CYBMUJFWSA-N 332.494 3.742 0 50 EHAA COc1ccc2c(c1)cc(C(=O)N(C)Cc1cccnc1Cl)n2C 91644271 VRVUWCWBOHVWMQ-UHFFFAOYSA-N 343.814 3.508 0 50 EHAA CSc1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1 92045581 BZNLUVKRRQWYCU-SJLPKXTDSA-N 344.524 3.631 0 50 EHAA Cc1cccnc1[C@H](C)NC(=O)CC[C@@H]1CCCN2CCCC[C@H]12 95354509 BWPZLGYSGRBUEX-OKZBNKHCSA-N 329.488 3.612 0 50 EHAA Cc1noc(C)c1NC(=O)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 95497366 UATSNAMUORTKKD-CQSZACIVSA-N 343.362 3.676 0 50 EHAA CCCOc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2O)cc1Cl 96139992 BZEIPSPVRRPBJM-KBPBESRZSA-N 326.824 3.554 0 50 EHAA Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)c(C)n1 96163105 YFCXUTLFMRMFSU-RTBURBONSA-N 339.439 3.958 0 50 EHAA Fc1ccc2c(c1)[C@H](NCc1ccc(N3CCCC3)nc1)CCCO2 131524802 SKGQLVSYHSWLAF-GOSISDBHSA-N 341.430 3.824 0 50 EHAA COc1ccc2oc([C@H](C)NC(=O)Cc3c(C)n[nH]c3C)c(C)c2c1 171623334 MQURUKDAIOCZQA-ZDUSSCGKSA-N 341.411 3.510 0 50 EHAA O=C(Nc1ccccc1Oc1ccccc1)N1CCN2CCC[C@@H]2C1 171886487 AIWZCMBTNDGEPZ-MRXNPFEDSA-N 337.423 3.791 0 50 EHAA Cn1cc(CN[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cn1 183334875 AXFYOULVKVPYEV-GFCCVEGCSA-N 337.267 3.832 0 50 EHAA Cc1c(C(=O)N(C)[C@@H](C)c2ccco2)[nH]c2c1C(=O)CC(C)(C)C2 193324883 OYQJIMKOAZBOOP-LBPRGKRZSA-N 328.412 3.904 0 50 EHAA Cc1cc(C)n(CCCC(=O)N(C)Cc2nc3ccccc3s2)n1 219911599 IGONGPZUIGPYAM-UHFFFAOYSA-N 342.468 3.548 0 50 EHAA O=C(CCN1CCCC[C@H]1c1ccccn1)Nc1ccccc1F 252483797 FINQUSWUJONYTJ-SFHVURJKSA-N 327.403 3.777 0 50 EHAA O=C(O)c1cccc(NCc2cccc(NC(=O)C3CCCC3)c2)n1 263491691 IQQVPDLNCOWLSR-UHFFFAOYSA-N 339.395 3.521 0 50 EHAA CCN1CCC[C@]2(CCCN(C(=O)c3ccc(C)n3C(F)F)C2)C1 299757577 KFLZKXJJGVIDCL-SFHVURJKSA-N 339.430 3.530 0 50 EHAA COc1cccc([C@@H]2CCN2C(=O)Nc2c(C)cc(C)nc2C)c1 299786089 PDJRSTXRPDEUJT-KRWDZBQOSA-N 325.412 3.994 0 50 EHAA CCc1ncsc1C(=O)N(C)C[C@@H]1CCCc2sc(C)nc21 328614223 ABAHEQCKFKIQIR-NSHDSACASA-N 335.498 3.663 0 50 EHAA Cc1cc(Cl)ccc1CN(Cc1cncnc1)[C@H]1CCCNCC1 328649354 VAMLMQLUYLHDOV-IBGZPJMESA-N 344.890 3.583 0 50 EHAA CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc([C@H]3C[C@@H]3C)o2)cn1 328655222 YEOKSYBJTUIDCW-LZLXCTOHSA-N 329.444 3.629 0 50 EHAA CC[C@H](CNC(=O)N1CCC[C@](C)(OC)CC1)Oc1cccc(C)c1 331408258 FMRFNNIDKDYENI-XLIONFOSSA-N 348.487 3.753 0 50 EHAA CCc1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)cn1 348433559 FFHOEIJELDPRNJ-OXQOHEQNSA-N 340.471 3.704 0 50 EHAA Cc1c(Cl)cc2c(c1Cl)CCCN2C(=O)C[C@H]1COC(=O)C1 408521758 UZQMPIAKGBGPLZ-SNVBAGLBSA-N 342.222 3.534 0 50 EHAA COc1ccc(F)cc1-c1ccc(C(=O)NCC[C@H](C)OC)cc1 426431029 ONZIQCFEBAUXPO-ZDUSSCGKSA-N 331.387 3.656 0 50 EHAA CO[C@@]1(C)CCCN(C(=O)Nc2ccc(C(=O)C(C)C)cc2)CC1 455797620 OXRHGYZRUWKEHO-IBGZPJMESA-N 332.444 3.948 0 50 EHAA CN(C)[C@@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3)cc2)C1 534638700 MODSXUONGMQIMA-HXUWFJFHSA-N 337.467 3.589 0 50 EHAA Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@]2(C)CCCO2)c1 825162165 CVAVOALPMOGQDC-FQEVSTJZSA-N 338.407 3.755 0 50 EHAA C[C@@H](C(=O)N1CCC(c2noc3cc(F)ccc23)CC1)n1cccc1 888104747 KPSRHKAYNBRHRA-ZDUSSCGKSA-N 341.386 3.736 0 50 EHAA C[C@]1(NC(=O)c2ncccc2C(F)(F)F)CCOc2ccccc21 906466753 YAZUCWNNRVVTRL-INIZCTEOSA-N 336.313 3.528 0 50 EHAA CCCC(=O)Nc1cccc(NC(=O)c2cc(C(F)F)ncn2)c1C 930658181 MBLCJGMJCHBNOH-UHFFFAOYSA-N 348.353 3.714 0 50 EHAA O=C(NCC1CC1)c1cnc(-c2ccccc2Cl)nc1C1CC1 1354364640 PQDFLJCYYYIVFA-UHFFFAOYSA-N 327.815 3.814 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3csc4c3CCCC4)C[C@H]2C1 1704353902 NVIFYZSKPFWSPA-GEEKYZPCSA-N 346.540 3.818 0 50 EHAA O=C(N=c1nc(SCc2ccccc2)[nH]s1)c1ccc(F)cc1 1857799482 GAIHAJUJIGCSAD-UHFFFAOYSA-N 345.424 3.644 0 50 EHAA Cc1cc(-c2noc([C@H]3CC(C)(C)Oc4ccccc43)n2)cc(=N)[nH]1 1875285890 DXSQILSTKDBYHR-AWEZNQCLSA-N 336.395 3.546 0 50 EHAA C[C@@H](Nc1ccc([C@@H]2CCC(=O)N2)cc1)c1ccn(-c2ccccc2)n1 1875328709 IQAHNGPRHDOKBQ-QRWLVFNGSA-N 346.434 3.997 0 50 EHAA CC(=O)N[C@H](C)CC(=O)Nc1nc(-c2ccc(C)cc2C)c(C)s1 1940198146 QQBNBAAIYQILBT-GFCCVEGCSA-N 345.468 3.589 0 50 EHAA C[C@@H](O)c1cccc(-c2noc(CCc3ccc4ocnc4c3)n2)c1 2325819217 RTVUSUIYGVQRPH-GFCCVEGCSA-N 335.363 3.716 0 50 EHAA Cc1cc(CN2CCc3cccc(C(=O)O)c3C2)n(C2CCCC2)n1 2325827876 SVPDIZRTAPHNDO-UHFFFAOYSA-N 339.439 3.563 0 50 EHAA CC[C@H](NC[C@@H](CO)Cc1ccccc1C)C1Cc2ccccc2C1 2325842027 MPNBFUKSELPWMW-MBSDFSHPSA-N 337.507 3.929 0 50 EHAA O=C1N(C2CC2)CCC[C@@]12CCCN2Cc1ccc(Cl)cc1F 2356165033 PKWQAAIDLXPZMN-SFHVURJKSA-N 336.838 3.599 0 50 EHAA COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CC[C@H](C)C2 64653 FOZWQDASVSXMSS-JTQLQIEISA-N 349.477 3.902 0 50 EHAA O=C1c2ccccc2[C@](O)(Cc2ccccc2)N1Cc1ccc(F)cc1 101116 HKQOUEHYCHFBPJ-JOCHJYFZSA-N 347.389 3.870 0 50 EHAA O=C(COc1ccccc1)Nc1ccc(-c2nc3ncccc3o2)cc1 105920 PZGJHISIJYPSOK-UHFFFAOYSA-N 345.358 3.907 0 50 EHAA COc1ccc2c(c1)CCC1=C2NC(=S)N[C@@H]1c1ccc(F)cc1 195207 PUKPSVVFUXDPDW-QGZVFWFLSA-N 340.423 3.711 0 50 EHAA O=C1Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)N1 439294 AXZAZOVXFPTJAZ-MRXNPFEDSA-N 338.798 3.809 0 50 EHAA Fc1ccc(NC(=S)NCc2ccc(-n3cccn3)cc2)c(F)c1 611457 DJTYGEYRHCQUPR-UHFFFAOYSA-N 344.390 3.637 0 50 EHAA NC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1 1238258 ROFVXGGUISEHAM-UHFFFAOYSA-N 338.407 3.874 0 50 EHAA in-vivo CCCCOC(=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1 1801405 WAPXBSHYQXGZBB-UHFFFAOYSA-N 327.380 3.904 0 50 EHAA biogenic Cc1cc(S(=O)(=O)NCCc2ccccc2)c(Cl)cc1Cl 4269375 DDTWXTIZXAMQID-UHFFFAOYSA-N 344.263 3.823 0 50 EHAA Brc1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)cc1 7524903 MHLOCMXDPZKWBC-CQSZACIVSA-N 336.229 3.978 0 50 EHAA CCC[C@]1(C(=O)O)C[C@@](CCC)(C(=O)O)C[C@@](CCC)(C(=O)O)C1 101035831 BDWSRDPGOKDJSS-BCDXTJNWSA-N 342.432 3.784 0 50 EHAA COc1ccc2cccc(CC(=O)Nc3cnn(C(F)F)c3)c2c1 346464054 WBPHGUALWLKZEI-UHFFFAOYSA-N 331.322 3.621 0 50 EHAA Cc1cc(C)n([C@H](C)CNCC(=O)Nc2c(C)cccc2C(C)C)n1 65386082 XSCPLNHAXXKMOF-QGZVFWFLSA-N 342.487 3.721 0 50 EHAA O=C(Nc1cccc(-n2cccc2)c1)c1cc(N2CCCC2)ccn1 352065676 NYBMSCYGMNFCOM-UHFFFAOYSA-N 332.407 3.725 0 50 EHAA CCc1ccc(CN(C)c2nncc(-c3cc4ccccc4o3)n2)nc1 12319610 ICZNYGONSFGVAU-UHFFFAOYSA-N 345.406 3.879 0 50 EHAA Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(NCC(F)(F)F)n1 65387823 GVGLLGIHDZYQHB-UHFFFAOYSA-N 347.344 3.920 0 50 EHAA OC[C@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ccccc1 72145485 LXFSAWSKBUCBNV-SFHVURJKSA-N 330.391 3.542 0 50 EHAA O=C([C@H]1OCCc2ccccc21)N(Cc1ccccc1)CC(F)F 123574652 VIFNRACUMKYMQI-SFHVURJKSA-N 331.362 3.594 0 50 EHAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1ccc2ccccc2n1 77339526 UMHUZFHGSVWARS-QGZVFWFLSA-N 345.446 3.833 0 50 EHAA c1ccc(N2CCCN(Cc3ccc(-n4ccnc4)cc3)CC2)cc1 72125600 LFRAKDHVIGCGKN-UHFFFAOYSA-N 332.451 3.585 0 50 EHAA Cc1c(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)cnn1C 71747966 QJKFZMDYQDXMNW-HNNXBMFYSA-N 333.426 3.852 0 50 EHAA O=C1C[C@@H](n2ccnc2-c2cccnc2)CN1c1ccccc1Cl 82096505 AXRPDGYIFVARJU-CQSZACIVSA-N 338.798 3.577 0 50 EHAA CN1CC[C@@H](NCc2cccc(C(=O)O)c2)[C@@H]1c1ccc(Cl)cc1 263387652 DJKYYEXSBFUQKS-MSOLQXFVSA-N 344.842 3.573 0 50 EHAA CC(C)(NC(=O)N1CC[C@@H](C(C)(C)O)C1)c1cccc2ccccc12 426556085 YOZPQQLNXCBPPD-MRXNPFEDSA-N 340.467 3.877 0 50 EHAA CCC[C@H](CC(=O)O)NC(=O)c1cc(C(F)(F)F)ccc1Cl 220523519 UMTHGHNSKRZIDV-SECBINFHSA-N 337.725 3.732 0 50 EHAA C[C@@H](c1ccc(-c2cccc(OCC(N)=O)c2)cc1)N1CCCCC1 426541786 YJPQLGFXHCIEBI-INIZCTEOSA-N 338.451 3.765 0 50 EHAA Cc1nc([C@@H]2CCOC2)cc(=NCC2(c3ccccc3)CCCC2)[nH]1 426405848 YAUCOZXDXFQGMQ-QGZVFWFLSA-N 337.467 3.635 0 50 EHAA CCc1nc(N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)no1 426399359 FZPFFUOWWLYCLN-HXUWFJFHSA-N 346.519 3.895 0 50 EHAA C1=C[C@@H](Sc2nnc(-c3cnccn3)n2Cc2ccco2)CCC1 178288432 BXIMGTBWQOOHCS-CQSZACIVSA-N 339.424 3.577 0 50 EHAA Cc1ccc(CC2(NC(=O)[C@H](c3cccc(F)c3)N(C)C)CC2)cc1 95360314 MSRMEZWKGPXFEC-IBGZPJMESA-N 340.442 3.628 0 50 EHAA O=C(N[C@H]1COC2(CCCC2)C1)c1ccc(CN2CCCCC2)cc1 95390148 YSMRSNGHXFNYIM-LJQANCHMSA-N 342.483 3.504 0 50 EHAA CC(C)c1cc(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)nn1C 182444560 RGELYAQMFCPINJ-AWEZNQCLSA-N 347.846 3.841 0 50 EHAA C[S@](=O)C[C@H](NCc1cc(F)cc2cccnc12)c1ccccc1 183097496 DDNJMNQMCGJQFB-UUOWRZLLSA-N 342.439 3.583 0 50 EHAA CN(C)[C@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3)cc2)C1 534638693 MODSXUONGMQIMA-FQEVSTJZSA-N 337.467 3.589 0 50 EHAA CC(C)c1noc(-c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)n1 263616943 LHEQVGJBLKPSBK-OAHLLOKOSA-N 344.802 3.981 0 50 EHAA CCCCC(=O)Nc1ccc(NC(=O)C[C@H]2CCCOC2)cc1C 952976564 KTYWUAVPHRRTRC-OAHLLOKOSA-N 332.444 3.879 0 50 EHAA CC(C)c1ccc(C(=O)N2CCC[C@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c(O)c1 408410053 IPZFLRUVMSXMGX-FCLVOEFKSA-N 345.483 3.917 0 50 EHAA CCCC[S@](=O)Cc1nc(-c2ccc(Br)s2)no1 86968208 SQZCUHGGOQGOOV-GOSISDBHSA-N 349.275 3.609 0 50 EHAA CC(C)C[C@H](NCc1ncccc1C(F)(F)F)C(=O)OC(C)(C)C 170593072 GMJQCHGTSNRFID-ZDUSSCGKSA-N 346.393 3.946 0 50 EHAA O=C(Nc1ccsc1Cl)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 189493616 OPJHMABDNJHGIV-LURJTMIESA-N 349.765 3.887 0 50 EHAA CCC(CC)c1nnc(NC(=O)Nc2cc([C@H]3C[C@H]3C)n[nH]2)s1 192206411 PDDSYEMAZOLDCH-SCZZXKLOSA-N 334.449 3.932 0 50 EHAA c1ccc(CN2Cc3ccccc3C[C@@H]2c2nnc3n2CCCC3)cc1 749740692 PULVVJMIJPREAK-HXUWFJFHSA-N 344.462 3.914 0 50 EHAA COc1cc(-c2onc(N3CCCCCC3)c2C(=O)O)ccc1F 1704332575 SZGNKWJRSANYIJ-UHFFFAOYSA-N 334.347 3.568 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3ccc(OC(F)F)cc3)C[C@@H]21 1704312244 HEYWCCGEDNGEAI-UWWQBHOKSA-N 325.399 3.661 0 50 EHAA COc1ccc([C@H](CC(=O)N2CCSCC2)c2ccccc2)cc1 12004134 KRAVMKMTOLWGTM-LJQANCHMSA-N 341.476 3.793 0 50 EHAA CCN(Cc1nc(-c2cc(F)cc(F)c2)oc1C)C[C@H]1CCCO1 14952010 XVISNWSKUZKNFS-MRXNPFEDSA-N 336.382 3.929 0 50 EHAA CC(C)(C)[C@H](O)/C(=C/c1ccc(Cl)cc1Cl)n1cncn1 5353896 FBOUIAKEJMZPQG-CNTYAEFGSA-N 326.227 3.990 0 50 EHAA O=S(=O)(C[C@H]1CCCCO1)Nc1ccccc1-c1ccccc1 110096342 GYSCCWCEEXZRLU-MRXNPFEDSA-N 331.437 3.664 0 50 EHAA Cc1cnccc1NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 122038669 HVGZUQAUHKHKTN-MRXNPFEDSA-N 338.455 3.737 0 50 EHAA O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCCC[C@H]1c1ncc[nH]1 127527233 QYSQJALRYYERAG-QWHCGFSZSA-N 344.381 3.767 0 50 EHAA CCC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1O 1209231432 SWLBPRQWLCVXOU-AAEUAGOBSA-N 331.865 3.683 0 50 EHAA CC1(C)CCc2onc(C(=O)Nc3c[nH]nc3-c3ccccc3)c2C1 821106474 OUMSSQXZTVZNLD-UHFFFAOYSA-N 336.395 3.832 0 50 EHAA Cc1nc(-c2cccc(NCc3cnc([C@H](C)O)s3)c2)[nH]c1C 1875283865 GJYVTSJRPOTGNI-LBPRGKRZSA-N 328.441 3.815 0 50 EHAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H](C)n1cc(Cl)cn1 1875253707 CYSGRZXDKLBISJ-FZMZJTMJSA-N 335.835 3.829 0 50 EHAA O=C(N[C@H]1CCC[C@H](C(=O)O)CC1)c1csc(C(F)(F)F)c1 1875287642 SONRUVIHZLKGQH-WPRPVWTQSA-N 335.347 3.530 0 50 EHAA O=C(Nc1ccccc1[C@@H]1CC1(F)F)N1CCc2c(CO)cccc21 1875306340 AQFIAQFLBYVGFU-HNNXBMFYSA-N 344.361 3.896 0 50 EHAA CCC1(C)CN(C(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccnn2C2CCC2)C3)C1 1875396213 YYCKJOCBGDXESJ-VHFSOBRXSA-N 327.472 3.534 0 50 EHAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N2CCn3c2nc2ccccc23)o1 888092910 JCDCBDJKVHWHHY-QPSCCSFWSA-N 347.418 3.903 0 50 EHAA C[C@]1(C2CC2)COCCN1C(=O)c1cccc(Oc2nccs2)c1 890582809 KDNNQPUCSQYJGC-GOSISDBHSA-N 344.436 3.577 0 50 EHAA COc1ccc(OC(F)F)c(CN[C@H](C)c2csnc2C)c1 1775993723 IKXBZPADSWEJAZ-SECBINFHSA-N 328.384 3.912 0 50 EHAA O[C@H](CN=c1cc[nH]c2cnccc12)c1ccc(-c2ccccc2)cc1 2325703719 LTFQBDIVJRTKBN-JOCHJYFZSA-N 341.414 3.864 0 50 EHAA Cc1cc(CN)oc1-c1nc(-c2ccc(Br)s2)no1 2325857529 FKRIWAYQTIRQRW-UHFFFAOYSA-N 340.202 3.588 0 50 EHAA C[C@H]1CCCN1Cc1ccc(-c2ccc(-c3n[nH]c(O)n3)cc2)cc1 2325859050 MAMBHQGEFOVXGZ-AWEZNQCLSA-N 334.423 3.829 0 50 EHAA COc1ccc(C[C@@H]2CCCCN2Cc2cnn3ccccc23)cc1 2325860720 QOWRTCBHWGMVOG-IBGZPJMESA-N 335.451 3.940 0 50 EHAA CSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 340134 FPUVLQHQXRGLKK-UHFFFAOYSA-N 347.237 3.870 0 50 EHAA CN(C(=O)CN1CC[C@H](c2ccccc2)CCC1=O)C1CCCCC1 2356156537 GSDYVMTYQICGCH-GOSISDBHSA-N 342.483 3.574 0 50 EHAA CCCNC(=O)Nc1ccc2c(c1)N(C)C(=O)c1ccccc1S2 2948140 VKOORRUUKPENHX-UHFFFAOYSA-N 341.436 3.959 0 50 EHAA COc1cc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc(OC)c1 4809374 YUPKJKBAYKNGRZ-UHFFFAOYSA-N 349.452 3.738 0 50 EHAA O=C(Nc1nccs1)c1ccccc1NC(=O)C1CCCCC1 8909113 ZJEGMXOQHBJQQK-UHFFFAOYSA-N 329.425 3.914 0 50 EHAA O=C1CCc2cc(C(=O)N3CCC[C@@H]3c3ccccc3)c(F)cc2N1 134692588 WIXAVCVUTUXKQO-GOSISDBHSA-N 338.382 3.688 0 50 EHAA CCCCC(=O)Nc1ccc(C)cc1NC(=O)COc1cccnc1 55413241 DIWJUHSOQDUDBH-UHFFFAOYSA-N 341.411 3.536 0 50 EHAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccccc2)cc1 100365190 KRSKQKFYTQFWTJ-CPLUKWAASA-N 345.398 3.577 0 50 EHAA Cc1cccc(-c2ncc(CN(C)[C@H](C)c3c(C)n[nH]c3C)cn2)c1 55252870 OMCKDZCGWUGEBS-MRXNPFEDSA-N 335.455 3.985 0 50 EHAA COCCOc1cc(C(=O)N2C[C@H](C(C)C)c3ccccc32)ccn1 347592914 RZPVQSBFUBWSMF-QGZVFWFLSA-N 340.423 3.507 0 50 EHAA CCCCc1cn(C2CCN(c3nccc4occc34)CC2)nn1 63845701 AYQCOUJGPRCCCQ-UHFFFAOYSA-N 325.416 3.603 0 50 EHAA COc1ccc(NC(=O)N[C@@H](CCN(C)C)c2ccccc2)c(F)c1 215148727 LFTNDZYBJVMWPV-KRWDZBQOSA-N 345.418 3.649 0 50 EHAA CC(C)Cc1cc(CNc2nc(C3CCCC3)nc3c2CNC3)on1 72151693 FOYDBEOKKWDHBB-UHFFFAOYSA-N 341.459 3.536 0 50 EHAA Cc1nc(CCNC(=O)c2ccc([C@@H]3CCCO3)s2)sc1C 67696212 JLCILCRGAVRJDR-LBPRGKRZSA-N 336.482 3.645 0 50 EHAA COc1cc(F)ccc1-c1ccc2c(=O)n(-c3ccccc3)[nH]c2n1 32104908 JDMGZYRUEYNFTF-UHFFFAOYSA-N 335.338 3.529 0 50 EHAA O=C(Nc1ccccc1NC(=O)C(F)F)c1ccc2ccccc2n1 252492638 MRFKGFCWVYGKMQ-UHFFFAOYSA-N 341.317 3.691 0 50 EHAA Cc1nc(-c2cccc(NC(=O)c3cc4cc(F)ccc4[nH]3)c2)n[nH]1 77678041 QOWNPULCFYRTJH-UHFFFAOYSA-N 335.342 3.653 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 30728230 DUHUCHOQIDJXAT-INFZVHENSA-N 332.484 3.774 0 50 EHAA Cc1cnc([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)s1 253427089 FGNJYPOUTZAKOX-CYBMUJFWSA-N 346.500 3.502 0 50 EHAA C[S@](=O)Cc1cccc(C(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1 242001154 VDHPEYRAAFQJLF-QCWPFBFRSA-N 334.481 3.937 0 50 EHAA Cc1nc(C)c(C(=O)N2CC[C@@H](c3cn(C)c4ccccc34)C2)nc1C 364064984 TUGCQXQSBMVOAF-MRXNPFEDSA-N 348.450 3.523 0 50 EHAA O=C(O)COc1ccccc1CN1CCC[C@H](c2ccccc2)CC1 216091688 ZIOBGNOJWDGFLS-SFHVURJKSA-N 339.435 3.920 0 50 EHAA Cn1ncc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1C1CC1 72147536 JRCRZJSCZDJKDF-OAHLLOKOSA-N 349.482 3.629 0 50 EHAA CCn1cc(CCN2CCC(c3nc4cccc(C)c4o3)CC2)cn1 375673373 GAYLGAVOIKNFRE-UHFFFAOYSA-N 338.455 3.775 0 50 EHAA C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(C(=O)O)ccn1 263378935 CAQBAXHNUJTCSE-VXGBXAGGSA-N 346.814 3.697 0 50 EHAA Cc1ccc(CN(CCN(C)C)C(=O)NCC2CCCCC2)s1 426646972 FIFIKCVMTABFTL-UHFFFAOYSA-N 337.533 3.710 0 50 EHAA Cc1cnc(CNC(=O)c2ccc(Oc3ccccc3)o2)c(C)c1O 223180434 DYDSECGCUHPPAG-UHFFFAOYSA-N 338.363 3.719 0 50 EHAA CC(C)(C)OC(=O)N1CCC(c2ccc(C(=O)NC3CC3)cc2)CC1 145965376 JULZICIKPZHQBB-UHFFFAOYSA-N 344.455 3.693 0 50 EHAA Cc1cc(C)c2[nH]c(C(=O)N3CCN[C@@H](c4ccccc4)C3)c(C)c2c1 91593356 UFYWWRQCGWQGAL-LJQANCHMSA-N 347.462 3.880 0 50 EHAA Cc1ccsc1CN1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2=O 91745654 MKYOJQBUYNSFDB-ZWKOTPCHSA-N 340.492 3.680 0 50 EHAA Cc1cc2cc(NC(=O)N(C)Cc3c(C)nn(C)c3C)ccc2o1 95506118 XHJSWHWWQONLCB-UHFFFAOYSA-N 326.400 3.755 0 50 EHAA CCn1cc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)cn1 92077792 BTSNDXFWAPLRMN-UHFFFAOYSA-N 329.787 3.746 0 50 EHAA CCc1nc2ccccc2n1[C@H](CC)C(=O)N1CC(c2ccccn2)C1 91269918 RDWRXOZLAVLCIS-GOSISDBHSA-N 348.450 3.571 0 50 EHAA CC(=O)[C@]12O[C@@H]1C[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 242554665 MSGQPOBWYUXEOQ-USSSXZFTSA-N 332.484 3.727 0 50 EHAA Cc1cc(C)n(CCC(=O)N(Cc2ccccc2)C2CCCC2)n1 252489268 JNHIUNDSBOLAAS-UHFFFAOYSA-N 325.456 3.861 0 50 EHAA Cc1ccc(C)n1CCCC(=O)N1CCc2[nH]c3ccccc3c2C1 263586203 RFZORWYZVRCEIF-UHFFFAOYSA-N 335.451 3.951 0 50 EHAA biogenic CC(=O)Nc1ccc(CN(C)Cc2nc3ccc(Cl)cc3[nH]2)cc1 952978381 FDJSWVUFUIXILS-UHFFFAOYSA-N 342.830 3.807 0 50 EHAA O=C(Nc1ccc([C@H](O)c2cccs2)cc1)c1ccncc1F 952988673 PPDWYVQCXMBBHU-INIZCTEOSA-N 328.368 3.616 0 50 EHAA Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 270504574 DZTPIQOAFHXGBY-QUCCMNQESA-N 338.451 3.896 0 50 EHAA O=C(NCc1nccs1)Nc1ccccc1N1CCCCCC1 193551585 YNFAFRYOFJXKKB-UHFFFAOYSA-N 330.457 3.845 0 50 EHAA COc1ccc2c(c1)CN(C(=O)N[C@@H]1CCOc3c(C)cccc31)C2 654542368 WJADAQRNXBNHKI-GOSISDBHSA-N 338.407 3.553 0 50 EHAA COc1ccc(CN2CC[C@@H](NC3CCCCCC3)CCC2=O)cc1 14963199 GJGRLSXSKIKOOY-IBGZPJMESA-N 344.499 3.889 0 50 EHAA Cc1ccc(NC(C)(C)C(=O)N(C)CC[C@@H](O)c2ccccc2)cc1 1506415994 RVHVZSPUXJGJOH-LJQANCHMSA-N 340.467 3.768 0 50 EHAA CSc1cccc(CN(C(=O)CCCc2cn[nH]c2)C(C)C)c1 1506402350 XHGBVOIUBYCKEP-UHFFFAOYSA-N 331.485 3.892 0 50 EHAA Cc1cc(C)c2c(CC(=O)N(C)[C@H]3C[C@H]4C[C@@H](O)C[C@H]4C3)coc2c1 1529181751 VSIUOTVLFWTOPH-LVYXFOGZSA-N 341.451 3.600 0 50 EHAA COc1cccc([C@@H](C)N(C)Cc2cc(C(=O)O)ccc2OC)c1 1529118942 QJUVAAGKCSNISK-CYBMUJFWSA-N 329.396 3.595 0 50 EHAA CCOc1ccc2nc(SCC(=O)NC3CCCCC3)[nH]c2c1 5906841 UFHZAKJCJGJUNN-UHFFFAOYSA-N 333.457 3.503 0 50 EHAA O=C(NCCc1ccccc1)N1CCC[C@@H](Nc2cccc(F)c2)C1 12298637 RRXKSAPGAGAPSD-LJQANCHMSA-N 341.430 3.654 0 50 EHAA CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C(C)(C)C)on1 16605458 AVKJYEMIYPNXQY-CQSZACIVSA-N 332.400 3.777 0 50 EHAA Cc1sc2ncc(C(=O)Nc3cccc(Cl)c3C)c(=O)n2c1C 16626583 ZPUFPNYSIVEWNG-UHFFFAOYSA-N 347.827 3.587 0 50 EHAA CN1C[C@H](Cn2ccnc2-c2ccc3c(c2)Cc2ccccc2-3)CC1=O 1857696163 PQSHXVIJSSXQMT-OAHLLOKOSA-N 343.430 3.600 0 50 EHAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)C[C@@H]1CCCC(C)(C)C1 329832643 GAHYWGXWJYCDGM-GJZGRUSLSA-N 333.476 3.859 0 50 EHAA C[C@@H]1C[C@@H](N)CCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 237469598 DOGVGDJGRWJSAP-YPMHNXCESA-N 329.271 3.654 0 50 EHAA Cn1ncc(NC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)c1C(F)F 677631540 LQUCURYDCSOPPZ-AWEZNQCLSA-N 334.370 3.973 0 50 EHAA CC1(C)[C@@H](c2ccc(Cl)cc2)CCN1Cc1nc(C(=O)O)co1 903632162 UTEXYVKEDVSJRS-CYBMUJFWSA-N 334.803 3.794 0 50 EHAA OC[C@H]1CCC[C@H](Nc2nc(-c3cccnc3)nc3ccccc23)C1 840386579 QFBFMDRHPIYBSR-HOCLYGCPSA-N 334.423 3.655 0 50 EHAA C[C@@H](C(=O)Nc1cccc(C2SCCS2)c1)c1ncccn1 1875267528 GUOALHALUMTEBS-LLVKDONJSA-N 331.466 3.697 0 50 EHAA CC[C@@H]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccsc2)N(C)C)C1 1875323121 YEFHBBDXAADOSX-INMHGKMJSA-N 337.533 3.866 0 50 EHAA O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc2c(c1)OCO2 1013286 FSGVGXOGOKUZIV-UHFFFAOYSA-N 345.354 3.899 0 50 EHAA O=C(CCc1ccc(-c2ccccc2)cc1)NOCc1cccnc1 2325744283 GUXGRCIWAPLQPD-UHFFFAOYSA-N 332.403 3.929 0 50 EHAA COc1cccc([C@H](C)NC[C@H](CO)Cc2ccccc2C)c1OC 2325794860 UJDWVYWJIHSJON-DLBZAZTESA-N 343.467 3.514 0 50 EHAA Cc1nnc(Sc2cc(=O)oc3ccccc23)n1-c1ccccc1 2325843749 OLHHHCVXXGONKG-UHFFFAOYSA-N 335.388 3.833 0 50 EHAA Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)cc1 63556 NBFMIHVDEVIDJX-UHFFFAOYSA-N 349.253 3.884 0 50 EHAA Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1cnn(-c2ccccc2)c1 389023 XDYQGVVDCXJNGD-UHFFFAOYSA-N 332.363 3.649 0 50 EHAA COC(=O)c1sccc1NC(=O)c1ccc(Br)cc1 433894 JBVPNQJOEIEWBB-UHFFFAOYSA-N 340.198 3.550 0 50 EHAA CN(C)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2 439243 LKIJUWMKARDYMX-UHFFFAOYSA-N 342.464 3.971 0 50 EHAA O=C(Cc1cccs1)Nc1cccc(I)c1 454786 BZRXKJKRBQYSAG-UHFFFAOYSA-N 343.189 3.534 0 50 EHAA COc1ccc2oc(=O)c(C(=O)Oc3ccc(Cl)cc3)cc2c1 615861 PZFQXWYWJHRCLR-UHFFFAOYSA-N 330.723 3.674 0 50 EHAA Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 2822350 LCYZJPVCCYPXLE-UHFFFAOYSA-N 340.423 3.915 0 50 EHAA COC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OC 4828880 ZESHPWAGPQBZSG-UHFFFAOYSA-N 329.377 3.524 0 50 EHAA O=C(NCc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 4870174 ZSJFHJZKDGEZNB-UHFFFAOYSA-N 336.416 3.930 0 50 EHAA CCOc1cc(/C=C2\[C@H](O)C3CCN2CC3)cc(Cl)c1OCC 4870188 HDBLETFAKODFPF-IUYQLWOBSA-N 337.847 3.565 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)Cc2c[nH]nc2-c2cccs2)c1 55282584 GVVMQXZVJJNVGK-CQSZACIVSA-N 326.469 3.905 0 50 EHAA Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1)N(C)C 55441191 BSASZYICAZIMBK-QGZVFWFLSA-N 341.846 3.584 0 50 EHAA Cc1cc2cc(NC(=O)[C@@H](C)c3ccsc3)ccc2n(C)c1=O 345043053 PKFGQYDYVLCHKJ-LBPRGKRZSA-N 326.421 3.651 0 50 EHAA COC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)cc2F)cc1Cl 346783414 XKVVTIKZVZKJQX-UHFFFAOYSA-N 349.745 3.721 0 50 EHAA CCc1cnc(C)nc1-c1cccc(-c2ccn(C[C@@H](O)CC)n2)c1 20204311 MIMFUCQQWWYABB-SFHVURJKSA-N 336.439 3.649 0 50 EHAA Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)C)cc2)no1 33086921 ZKYSIQUEVMZEEA-KRWDZBQOSA-N 334.441 3.632 0 50 EHAA COc1ccccc1Cn1c(COC(=O)C2CC2)nc2ccccc21 4632194 DZKXKVZPMQRXIO-UHFFFAOYSA-N 336.391 3.546 0 50 EHAA COCOc1ccc(NC(=O)c2sccc2OC(F)F)cc1 253397181 IDMZLAJDAFYHOK-UHFFFAOYSA-N 329.324 3.585 0 50 EHAA Cc1ccc2c(c1)CC[C@H](C(=O)N1CCC[C@H]1c1csc(C)n1)O2 253427983 FXSDHSBPAABVTC-FUHWJXTLSA-N 342.464 3.817 0 50 EHAA O=S(=O)(c1ccccc1)c1ccc(-c2cccc3c2CCNC3)cc1 71763068 CNOSYKUMQSHESO-UHFFFAOYSA-N 349.455 3.832 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CCC(C(F)(F)F)CC1 328630425 JJVRZHNRKAUFIF-WUCCLRPBSA-N 345.409 3.834 0 50 EHAA Cc1ncc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)s1 366144376 NOYMRICRWAARQG-ZDUSSCGKSA-N 327.409 3.960 0 50 EHAA COc1cccc(OC[C@H]2CCCN(C(=O)Cc3cccs3)C2)c1 77356533 MWSCUGDEDCYFIS-HNNXBMFYSA-N 345.464 3.617 0 50 EHAA Cc1ccc(C)c2c(C)c(C(=O)N3CCc4ccnc(O)c4C3)oc12 330266734 QBNZUCBORBWESO-UHFFFAOYSA-N 336.391 3.657 0 50 EHAA O=C(CCC1CCNCC1)Nc1ccc(OC2CCCC2)c(F)c1 237713250 WYNWQGCENJNMQS-UHFFFAOYSA-N 334.435 3.865 0 50 EHAA C[C@@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)C1=CCCCC1 72447306 XJPGCNZUWJINDG-CYBMUJFWSA-N 334.427 3.726 0 50 EHAA CCOC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1 35569908 SYTLMFJJRMLMIO-UHFFFAOYSA-N 334.379 3.767 0 50 EHAA Cc1ncc(S(=O)(=O)N2CC(C)(C)C[C@H]2c2ccccc2)s1 331684457 WUTMEUQEKZQVCK-AWEZNQCLSA-N 336.482 3.613 0 50 EHAA C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@@H](CC1=O)C2(C)C 13555933 SFTIHICVYHNPDM-TVSHIAKJSA-N 329.415 3.889 0 50 EHAA O=C([C@@H](F)c1ccccc1)N1CCC(c2nccn2CC2CC2)CC1 82137543 ZXLXNYIHDDTQFY-SFHVURJKSA-N 341.430 3.710 0 50 EHAA C[C@H]1CCN(C(=O)Nc2nc(C3CCC3)cs2)C[C@H]1n1ccnc1 283105981 WXTWLVROSPRQKH-SWLSCSKDSA-N 345.472 3.722 0 50 EHAA O=C(NC1CCCCC1)N1CCC(c2nccn2CC2CC2)CC1 82147589 IHSDMFDHPXKHJU-UHFFFAOYSA-N 330.476 3.515 0 50 EHAA Cn1ncc2c(C(=O)N[C@@H]3CCCc4ccccc43)cc(C3CC3)nc21 20606963 SAMODAZRDTZGCM-GOSISDBHSA-N 346.434 3.653 0 50 EHAA Cc1oc(C(C)C)cc1C(=O)N1CC[C@]2(CCCN(C(C)C)C2=O)C1 91616456 WXFCHTNZEZFBEK-HXUWFJFHSA-N 346.471 3.575 0 50 EHAA CC(C)(C)c1cc(CN2CCC[C@H](c3ccc(C(=O)O)cc3)C2)[nH]n1 95360432 NUONCNCLDACSNX-INIZCTEOSA-N 341.455 3.785 0 50 EHAA CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2cnn3cccnc23)C1 92003586 PSJAEJUXKBCHJS-IBGZPJMESA-N 326.444 3.604 0 50 EHAA Cc1c(Br)cccc1CCNC(=O)c1cnoc1C1CC1 1333984346 NFKJGKNZPFJOFU-UHFFFAOYSA-N 349.228 3.595 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)c2c(OC)ccc(F)c2F)c(C)c1 952980681 HUJWGKPKYUROFD-UHFFFAOYSA-N 348.349 3.883 0 50 EHAA FC(F)(F)Cn1cnnc1SCc1ccccc1OC1CC1 408523034 GBFDXUBHPZEHRP-UHFFFAOYSA-N 329.347 3.674 0 50 EHAA COc1ccc2nc(CN[C@@H](C)c3ccncc3OC)sc2c1 187069599 JEWVZGNIUHWSLR-NSHDSACASA-N 329.425 3.559 0 50 EHAA O=C(Nc1c(Cl)cc(F)cc1Br)[C@@H]1C[C@H]2CC[C@@H]1O2 193621693 ZZNXMGAEEZHBPO-XLDPMVHQSA-N 348.599 3.748 0 50 EHAA CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OC 445717 SSJPVYANCGGNJN-DHDCSXOGSA-N 341.338 3.578 0 50 EHAA COc1ccccc1NC(=O)N1CCC[C@@H](Nc2cccc(F)c2)C1 12574118 LQVIUVJDUBKXTC-MRXNPFEDSA-N 343.402 3.943 0 50 EHAA CCCn1c(=N)n(C[C@@H](O)c2ccc(Cl)cc2)c2ccccc21 19771501 VWIUXRLRHXNYCN-QGZVFWFLSA-N 329.831 3.719 0 50 EHAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1ccc2ccccc2n1 1857674785 XYUSGPOLQQWHOH-FBBABVLZSA-N 338.451 3.931 0 50 EHAA Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(C(=O)O)cc1 225457199 ZAVRQRHPBOAGFF-UHFFFAOYSA-N 342.376 3.591 0 50 EHAA COc1ccc(-c2cc(C(=O)N3CC[C@H](N)C[C@@H]3C)sc2C)cc1 237405331 MMKCNJJZBXDGAV-WFASDCNBSA-N 344.480 3.684 0 50 EHAA CCOc1ccc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ncccc23)cc1 155035961 NDWYNIAQYHBDMO-IBGZPJMESA-N 349.434 3.868 0 50 EHAA Cc1ccc(F)c2oc(C(=O)N3CCC[C@@H]3c3ccnn3C)cc12 830101821 OMOSOHOFWLPASR-OAHLLOKOSA-N 327.359 3.591 0 50 EHAA C[C@H](C[C@@H]1CCCCN1Cc1csc(Br)c1)C(=O)O 1776002829 GMKBTWIJFITMMI-PWSUYJOCSA-N 346.290 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CC1=Nc2ccccc2C12CCN(C(=O)NCc1ccc(C)cn1)CC2 895503715 VTTHBILGSJEPRT-UHFFFAOYSA-N 348.450 3.739 0 50 EHAA O=C(Nc1ncc(C2CCCCC2)s1)[C@H]1CCCc2nc[nH]c21 2325779823 GSGPRCJXZLZGFX-LBPRGKRZSA-N 330.457 3.973 0 50 EHAA CCOC(=O)c1cnc(SCc2cccc3ccccc23)nc1N 534922 DIONLSXNJVOXCD-UHFFFAOYSA-N 339.420 3.681 0 50 EHAA CC[C@H](C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O)c1ccccc1 545456 RHDVNMSIEPDJBR-AWEZNQCLSA-N 337.423 3.764 0 50 EHAA COc1ccc(NC(=O)N[C@H]2CCCc3ccccc32)cc1OC 612258 SXUBHYJLMWQOBZ-INIZCTEOSA-N 326.396 3.903 0 50 EHAA COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C 617142 JCPGLWHANFNYHP-UHFFFAOYSA-N 329.780 3.597 0 50 EHAA Cc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)n2)cc1 996315 XSFUUEIBDYMQJY-UONOGXRCSA-N 342.420 3.724 0 50 EHAA COc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)O)cc1Cl 4832516 XSHNMHNNUOPXLB-UHFFFAOYSA-N 340.162 3.953 0 50 EHAA CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)cc1 4854798 VDVCBLYVQRCVSL-INIZCTEOSA-N 334.391 3.577 0 50 EHAA Fc1ccc(CN2CCN(c3ccccc3)CC2)cc1Br 55544010 REGIDOLZAYGUHE-UHFFFAOYSA-N 349.247 3.910 0 50 EHAA C[C@H](NC(=O)N1CC[C@H]([C@H](C)O)C1)c1c(Cl)ccc(F)c1Cl 221799197 GIFNRAAGOUTZNO-GUBZILKMSA-N 349.233 3.606 0 50 EHAA CC(=O)NCc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1 225590522 OJYKKODHMQCDDW-UHFFFAOYSA-N 332.363 3.521 0 50 EHAA CC(=O)OCc1c(C)cc(C)c(CN(C)[C@H](C)c2ccon2)c1C 55119568 AYBOXBVCUYOXOG-OAHLLOKOSA-N 330.428 3.856 0 50 EHAA N=c1c2c(-c3ccccc3)c(-c3ccccc3)oc2ncn1CCCO 100610986 VYWIJCAKURFOFX-UHFFFAOYSA-N 345.402 3.825 0 50 EHAA O=C(Nc1ccccc1OCCCc1ccccc1)[C@H]1CCOC1 55282155 RAYPFFKFXIAVMD-KRWDZBQOSA-N 325.408 3.673 0 50 EHAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3ccncc3)C2)cc1 67856823 JRIRPAHWXFLPHG-SFHVURJKSA-N 346.434 3.800 0 50 EHAA Cc1noc([C@H](NC2CC(c3ccccc3C)C2)C2CCOCC2)n1 328641382 XVLUCQLOAWEXMJ-FAFZWHIHSA-N 341.455 3.690 0 50 EHAA C[C@@H](Cc1cccnc1)n1cnc2c(Cl)ccc(Cl)c2c1=O 32541485 KFCODSBTNBQAIS-JTQLQIEISA-N 334.206 3.902 0 50 EHAA O=C(NCc1ccccn1)c1cc(-c2ccc(Cl)cc2Cl)on1 815144 UJAVHCVNTZOFSL-UHFFFAOYSA-N 348.189 3.973 0 50 EHAA Cc1c[nH]c(CN2CC[C@@]3(CCCN(CC4CCCCC4)C3)C2)n1 11661955 AHVVDVBCPJGARC-HXUWFJFHSA-N 330.520 3.586 0 50 EHAA CCCCOc1c(CN2CCO[C@H](C(F)(F)F)C2)cccc1OC 71764691 DEDHUMJVNBLOAS-HNNXBMFYSA-N 347.377 3.637 0 50 EHAA Cc1nn2cc(CCn3ccnc3-c3sccc3C)nc2s1 71708067 USIAHFUQIFRYRX-UHFFFAOYSA-N 329.454 3.575 0 50 EHAA CC(C)(C)c1nc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)no1 72168244 UGCKNVLNZHVOQH-CQSZACIVSA-N 343.406 3.720 0 50 EHAA Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccnc2)n1 257365263 WDYRVSIHZWLPPH-JYJNAYRXSA-N 327.453 3.704 0 50 EHAA O=C(CCCN1CCCCC1)N[C@H](c1ccccc1)c1ccncc1 74350245 ODDOFIZJRIYMBP-OAQYLSRUSA-N 337.467 3.553 0 50 EHAA CN1CC[C@@H](CNC2CCC(C(F)(F)F)CC2)[C@@H]1c1cccnc1 328650231 VKJYNRQKJPIYOK-OTBWCIGPSA-N 341.421 3.785 0 50 EHAA Cc1noc([C@@H](NC2CC(c3ccccc3C)C2)C2CCOCC2)n1 328641385 XVLUCQLOAWEXMJ-TVPLGVNVSA-N 341.455 3.690 0 50 EHAA CC(C)N1CCC(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 71589623 ASMMIGBIDVQHHK-LJQANCHMSA-N 336.907 3.834 0 50 EHAA COCc1ncc(CN2CCC[C@@H](CCc3ccccc3F)C2)cn1 71753181 ZFFIXSXLQAXUPB-INIZCTEOSA-N 343.446 3.607 0 50 EHAA CCNc1nc(C)c(C(=O)NCc2ccc3c(c2)CC(C)(C)O3)s1 215366812 VGYJTBJMYIKSMF-UHFFFAOYSA-N 345.468 3.527 0 50 EHAA CS[C@H](C)CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 156214493 AOLQYGLCDNDXBW-CYBMUJFWSA-N 340.920 3.562 0 50 EHAA c1cncc(-c2nccn2-c2ccc(OC[C@H]3CCCCO3)cc2)c1 77380124 JIZNOIAIRUYOPB-LJQANCHMSA-N 335.407 3.882 0 50 EHAA Cc1noc(C)c1[C@H](C)C(=O)N[C@H]1CCCC[C@H]1Oc1ccccc1 239667400 BPVHLRWMLWPSLD-DOPJRALCSA-N 342.439 3.901 0 50 EHAA Cc1ccc(/C=C/C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)o1 287853760 LSPHXAWPNMJTRQ-HRBLKJSCSA-N 337.419 3.632 0 50 EHAA CN(C)c1ccc(-c2nnc(SCc3cccc(F)c3)n2C)cc1 17071549 FWLLBZISZXIRIL-UHFFFAOYSA-N 342.443 3.980 0 50 EHAA CC(=O)c1ccc(-c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)s1 426517535 FYNIWAWYVCIPIT-BETUJISGSA-N 343.448 3.867 0 50 EHAA CCn1cc(CN(C)Cc2ccc(CN3CCCC3)s2)c(C)n1 426392728 GCDGCODLYOWGFO-UHFFFAOYSA-N 332.517 3.501 0 50 EHAA O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccc2c(c1)OCO2 253401177 FKGQJKNNAITLGL-MRXNPFEDSA-N 334.375 3.704 0 50 EHAA biogenic CCCn1ncnc1-c1cccc(C(=O)N[C@H](C)c2ccc(C)nc2)c1 584891472 HDTCOGSMLARYFV-OAHLLOKOSA-N 349.438 3.550 0 50 EHAA CC(C)n1nc(-c2nnc(C3=CCCCC3)o2)c2ccccc2c1=O 1326096091 RDWWSALKIJHLEL-UHFFFAOYSA-N 336.395 3.985 0 50 EHAA CC1(N2CCCC2)CCC2(CC1)NC(=O)c1c(Cl)cccc1N2 887330144 YZGDVBJWHJHREX-UHFFFAOYSA-N 333.863 3.620 0 50 EHAA COc1ccc(Oc2ccc(CN[C@H](C(=O)O)C(C)C)cc2)cc1 170612861 AGVPDQNMJSWFMJ-SFHVURJKSA-N 329.396 3.686 0 50 EHAA O=C(NCc1nccc(C(F)F)n1)N[C@@H]1CCCC12CCCCC2 664909742 UHHIDAPJRMGTCY-CYBMUJFWSA-N 338.402 3.716 0 50 EHAA CC(C)(C)OC(=O)CCC(=O)Nc1ccccc1-c1ccncc1 192309831 VXDYIBPUKDVGMU-UHFFFAOYSA-N 326.396 3.809 0 50 EHAA C[C@@H](c1ccc(Cl)cc1)[S@@](=O)Cc1nnc(C2CCC2)n1C 194543693 UIQXDTUNWPOODJ-SAHAZLINSA-N 337.876 3.746 0 50 EHAA OCc1cccc(NC(=S)NCc2cccc(C(F)(F)F)c2)c1 726440411 BWQSMNUHPDROII-UHFFFAOYSA-N 340.370 3.684 0 50 EHAA CC(C)(C)n1ncc(-c2ccccc2)c1NC(=O)C1CCOCC1 1529189698 VACBWZVOYXLBNM-UHFFFAOYSA-N 327.428 3.670 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3c(Cl)cncc3Cl)C[C@H]2C1 1704338748 YPDJDLLFYHWDKC-KPWCQOOUSA-N 342.314 3.939 0 50 EHAA C[C@@H]1S[C@@H](c2c(Cl)cccc2Cl)N(CCCN(C)C)C1=O 5046067 FWIUTAMHBUJCPA-BONVTDFDSA-N 347.311 3.908 0 50 EHAA CSCCC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 12303269 CGDFUYPQXKSLSO-UHFFFAOYSA-N 338.379 3.521 0 50 EHAA COc1c(S(=O)(=O)n2ccnc2C(C)C)ccc(Cl)c1Cl 12383140 LFYDNFUJCCHECN-UHFFFAOYSA-N 349.239 3.559 0 50 EHAA COc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 12406123 KLRUQOTYIXIJRU-SFHVURJKSA-N 327.380 3.505 0 50 EHAA CN(C)c1ncccc1CNCc1cccc(OC2CCCC2)c1 12596186 WIDYIMBYKGKZSQ-UHFFFAOYSA-N 325.456 3.759 0 50 EHAA CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccs1)C3 12653219 NXBAKWDOBOIKSE-SNVBAGLBSA-N 344.465 3.601 0 50 EHAA c1ccc2c(c1)CCN(c1ncccc1CNC1CCSCC1)C2 14980905 ZOWQUVIYLRQCJL-UHFFFAOYSA-N 339.508 3.630 0 50 EHAA CC(C)c1noc(CC2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 169754779 BCHQOKNKIFDXFV-UHFFFAOYSA-N 347.846 3.941 0 50 EHAA CC(C)Nc1cccc(CNC(=O)c2ncccc2Br)c1 225421789 QZZANJSVPWPWCS-UHFFFAOYSA-N 348.244 3.594 0 50 EHAA O=C(N[C@H]1CCc2c(O)cccc21)N1CCc2cccc(Cl)c2C1 655607406 XCOJYOOUKINKQT-KRWDZBQOSA-N 342.826 3.801 0 50 EHAA CCCOc1c(CN2CC[C@@](CO)(CCC)C2)cccc1OCC 809791103 UELZZOPQSNWHRU-FQEVSTJZSA-N 335.488 3.859 0 50 EHAA CO[C@H]1CCN(Cc2cnc(N(C)C)c3ccccc23)CC1(C)C 930642420 OJMOSAGEBWKQIL-SFHVURJKSA-N 327.472 3.548 0 50 EHAA C[C@H]1CCCCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 1261015764 NGBBWHOMVIXZSD-JTQLQIEISA-N 339.354 3.655 0 50 EHAA CC(C)(c1ccccc1)c1nc(-c2cn([C@@H]3CCOC3)nn2)cs1 887497656 WQXHZCMNWCUQDE-CQSZACIVSA-N 340.452 3.689 0 50 EHAA CCOC(=O)c1ccc(NC(=S)NCCc2ccc(F)cc2)cc1 13497287 DESKQVSDJBADCD-UHFFFAOYSA-N 346.427 3.532 0 50 EHAA O=C(N[C@H]1CCSc2ccccc21)[C@@H]1CSc2ccccc2O1 2325728430 BUGVJBYDQQHWQE-ZFWWWQNUSA-N 343.473 3.893 0 50 EHAA CC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4[nH]3)c(C)oc2c1 71184 VGYPHVBKJWROOM-UHFFFAOYSA-N 334.331 3.570 0 50 EHAA CCOC(=O)c1c(-c2ccc(C)cc2)csc1N1C(=O)CCC1=O 314101 ZTBRNGOSOSELKA-UHFFFAOYSA-N 343.404 3.554 0 50 EHAA S=C(NCCc1ccccn1)Nc1ccc(Cl)c(Cl)c1 452593 AAJOPMHTWQOBSN-UHFFFAOYSA-N 326.252 3.918 0 50 EHAA CCOC(=O)c1ccc(NC(=S)Nc2cccc(OC)c2)cc1 618981 VQNDXJYNRRKPSV-UHFFFAOYSA-N 330.409 3.681 0 50 EHAA Cc1ccc(N[C@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)cc1 859086 HPCQMYRPVJZNTR-RBUKOAKNSA-N 344.480 3.697 0 50 EHAA O=C(CCCSc1nnnn1-c1ccccc1)c1ccc(F)cc1 2877739 KLCKKANHVFOZBR-UHFFFAOYSA-N 342.399 3.557 0 50 EHAA N=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccc(F)cc1 3903055 ADVJGWSMKHSMSN-ZBXSNYTOSA-N 342.351 3.610 0 50 EHAA CCc1ccc([C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)s1 4519872 SDNXDHAPMBUPMM-ZDUSSCGKSA-N 339.416 3.603 0 50 EHAA Cc1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1 5520894 ZSKOPRQMMZFBNN-UHFFFAOYSA-N 347.403 3.709 0 50 EHAA O=C(CSc1ncn[nH]1)N1c2ccccc2Sc2ccccc21 5776583 ZYUVYTKCXIOVEZ-UHFFFAOYSA-N 340.433 3.726 0 50 EHAA CCc1cccc2c(C(=O)C(=O)NCc3ccccc3Cl)c[nH]c12 16527151 ZZLYXHGJOGUABM-UHFFFAOYSA-N 340.810 3.883 0 50 EHAA CCCCOc1ccc(S(=O)(=O)Nc2cccc(C)n2)cc1C 16651404 NQJVMWNUPHJBCK-UHFFFAOYSA-N 334.441 3.678 0 50 EHAA Ic1cn(Cc2ccccc2)c2ncccc12 40442631 KJXCQDCJEMOYCK-UHFFFAOYSA-N 334.160 3.689 0 50 EHAA in-vitro CCN(Cc1ccccc1-c1nc(CC(C)C)cc(=O)[nH]1)C(C)C 48501626 JNCDRUKRKBOBOI-UHFFFAOYSA-N 327.472 3.866 0 50 EHAA Cc1ccc(C(=O)NCCC2=CCCN([C@@H]3C=CCCC3)C2)cc1F 65373585 JFWAKHJFMRHLOI-LJQANCHMSA-N 342.458 3.995 0 50 EHAA Fc1ccc(Cn2ncc3c2CN(c2nc4ccccc4o2)C3)cc1 67786520 ACQWSBOURDFUJO-UHFFFAOYSA-N 334.354 3.732 0 50 EHAA CC(=O)NCC[C@H]1CCCCN1Cc1ccc(C(F)(F)F)c(F)c1 72133512 OSLFQEONVFOFOY-CQSZACIVSA-N 346.368 3.725 0 50 EHAA Cc1nc([C@@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)cs1 72425046 FRYSXUWMPXOENA-GFCCVEGCSA-N 332.469 3.646 0 50 EHAA Cc1nc([C@@H](C)N(C)S(=O)(=O)c2sccc2C)c(C)s1 77358344 RLPYEBUIYLXSBU-SECBINFHSA-N 330.500 3.512 0 50 EHAA Cc1ncc(C(=O)N2CCC[C@H](COc3ccccc3C)C2)s1 77524815 DKIDKAVFOQIEQU-HNNXBMFYSA-N 330.453 3.691 0 50 EHAA CCCOc1ccccc1C(=O)N1CCC[C@H](c2nccn2CC)C1 91595593 PYJGGJBFJWNLCV-INIZCTEOSA-N 341.455 3.712 0 50 EHAA COc1cccc2c1OC[C@H](Cc1cccc(NC(=O)C3CC3)c1)C2 95511356 OSNNHYFDZMXNCQ-OAHLLOKOSA-N 337.419 3.838 0 50 EHAA CC1(C)C[C@@H](C(=O)NCc2ccc(F)c(C(F)(F)F)c2)CCO1 97756309 XGORPSSMUHEYIC-NSHDSACASA-N 333.325 3.666 0 50 EHAA O=C(Nc1ccn(-c2ccccc2Cl)n1)N1C[C@H]2CCC[C@H]2C1 129243015 UAPQDLQXHNPDEN-BETUJISGSA-N 330.819 3.790 0 50 EHAA CCC(CC)n1ncc(C(=O)N[C@@H]2COc3ccc(C)cc32)c1C 129802184 LRBJAKAIGOUOON-QGZVFWFLSA-N 327.428 3.725 0 50 EHAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1ccc(F)c(Cl)c1 186113976 WJWDQKXEUQCIES-UHFFFAOYSA-N 335.688 3.792 0 50 EHAA Cc1[nH]c2c(c1C(=O)N1CCCC[C@@H]1c1nccs1)C(=O)CCC2 223360205 ZWLOEUMCQQARCK-CYBMUJFWSA-N 343.452 3.666 0 50 EHAA O=c1[nH]c(-c2ccncn2)nc2cc(-c3ccccc3Cl)sc12 225566578 FGZRRZCSZYXAIE-UHFFFAOYSA-N 340.795 3.762 0 50 EHAA O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@@H](c2nccs2)C1 229263551 CRLNVSUWIOBMCP-FVQBIDKESA-N 330.428 3.792 0 50 EHAA Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1C 246977969 OEJVAIBEWPDLPP-HCXYKTFWSA-N 342.483 3.963 0 50 EHAA O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 247827115 JITXHHIYPURTLM-XHSDSOJGSA-N 339.391 3.518 0 50 EHAA CCO[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2c2cc(C)on2)C12CCCC2 252517098 ZOFAEVWSAZLZQB-GVDBMIGSSA-N 347.459 3.567 0 50 EHAA Cc1ccc(C)n1CCCCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 263585347 HRBKYOZMLGNQLB-FPOVZHCZSA-N 346.515 3.819 0 50 EHAA biogenic CCS[C@H]1CCCC[C@@H]1NC(=O)c1cccc(Cn2ccnc2)c1 267400799 MWLDAEHPVTXUPM-ROUUACIJSA-N 343.496 3.726 0 50 EHAA CCN(CC)CCOc1ccc(CN[C@@H](C)c2cc(C)on2)cc1 284047817 KCZGUALSDRYDLB-INIZCTEOSA-N 331.460 3.554 0 50 EHAA COc1cc(NC(=O)N2CCCCC[C@H]2c2ccncc2)ccn1 287840035 WORDQSQTGZVMOT-INIZCTEOSA-N 326.400 3.634 0 50 EHAA Cc1cc(C(=O)N2CC3(CCC3)[C@H]2C2CC2)c2cnn(C(C)C)c2n1 291208258 VHBTUSNYFAAZRW-QGZVFWFLSA-N 338.455 3.725 0 50 EHAA CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299781299 QXUIPXZLYVFHHI-HBMCJLEFSA-N 334.463 3.871 0 50 EHAA Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc2[nH]ccc2c1)C1CC1 299802111 RRYDVCBMIDCSHF-UHFFFAOYSA-N 337.427 3.715 0 50 EHAA Cc1ccc(C(=O)NC(C)C)cc1NC(=O)N1CC=C[C@H]1C(C)C 299803077 WBVYZVUKUWZPMO-KRWDZBQOSA-N 329.444 3.562 0 50 EHAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1c[nH]nc1-c1nccs1 333746433 SCUILVKQHWRDDH-NTZNESFSSA-N 331.445 3.718 0 50 EHAA O[C@H]1C[C@H](c2ccc(F)c(F)c2)N(Cc2ccn(C3CCCC3)n2)C1 340234146 CBMKOYCDERWUFI-QFBILLFUSA-N 347.409 3.584 0 50 EHAA CC[C@H](C)n1nc(C(=O)N2CCC(C)=C(Br)C2)cc1C 408515511 LPHVYYHQUATJGI-NSHDSACASA-N 340.265 3.677 0 50 EHAA CC(C)Cn1cc(CN[C@@H](c2cccs2)C2(CO)CCC2)cn1 449770154 VVSLNDMRTZHPEO-KRWDZBQOSA-N 333.501 3.594 0 50 EHAA CC(C)CN(Cc1ccco1)C(=O)N[C@H](c1nccn1C)C(C)C 534635306 SECFKGLHSADQFA-INIZCTEOSA-N 332.448 3.578 0 50 EHAA CCc1oc(-c2ncnn2Cc2ccccc2)cc1CN1CCCC1 670462524 OWTXWSZYPLKFPZ-UHFFFAOYSA-N 336.439 3.745 0 50 EHAA Cc1ccc([C@H](C)CCN2CCN(Cc3cccc(O)c3)CC2)o1 670467426 ZYTFVXMNNMBXIV-MRXNPFEDSA-N 328.456 3.605 0 50 EHAA COCC(=O)Nc1ccc(C)c(NC(=O)C[C@@H](C)c2ccccc2)c1 824313398 UFCNEEDTOAFYDA-OAHLLOKOSA-N 340.423 3.712 0 50 EHAA Cc1cccc(O)c1C(=O)N1CC(C)(C)[C@@H]1c1nccn1CC1CC1 888100601 QIXVNIITWCOHCT-KRWDZBQOSA-N 339.439 3.530 0 50 EHAA Cc1csc([C@H]2CCCCN2C(=O)c2cc3ncccc3o2)n1 931764098 NQVCJZSUQYLZDA-CYBMUJFWSA-N 327.409 3.960 0 50 EHAA CN(C(=O)c1cnc(CC(C)(C)C)s1)c1nc2ccccc2n1C 935406346 XXMASPKXKDCBGG-UHFFFAOYSA-N 342.468 3.895 0 50 EHAA COc1ccc(OC)c(-c2ccc(OCCN3CCCC3)cc2)c1 952972589 DLJAKGLHPBMVTK-UHFFFAOYSA-N 327.424 3.845 0 50 EHAA Cc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)n(C)n3)coc2c1 1350525736 VXDVDJMWANSOIU-UHFFFAOYSA-N 337.301 3.675 0 50 EHAA CCc1nccn1C[C@H](C)N1CCC(c2ccccc2OC)CC1 1506416891 GVMWTZZGLHDSRJ-INIZCTEOSA-N 327.472 3.722 0 50 EHAA O=C1C[C@@H](CN=c2cc[nH]c3ccc(Cl)cc23)CN1C1CCCC1 1529125619 RSVXSOOQCHNFCA-ZDUSSCGKSA-N 343.858 3.513 0 50 EHAA Cc1ccc(OCCN2CCC(c3ccnc(O)c3)CC2)c(C)c1 1772805271 KLPBYKXWXKTPRP-UHFFFAOYSA-N 326.440 3.662 0 50 EHAA CC(=O)N1CCC[C@H](c2nnc(C/C=C/c3ccccc3F)o2)[C@@H]1C 1775959688 PHEBWGBLZLNCII-HROVJIIKSA-N 343.402 3.579 0 50 EHAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1nncc2ccccc12 1875305329 QTTBCQBEJSCQAP-SAABIXHNSA-N 347.418 3.750 0 50 EHAA COC(=O)c1ccc([C@H](O)CN2CCCCC[C@@H]2c2ccco2)cc1 1875332043 AQRQAVXPXQBOLI-QZTJIDSGSA-N 343.423 3.717 0 50 EHAA CCOc1ccccc1N1CCN(Cc2ccc(OC)c(C)c2)CC1 240074 SZDPHVGUAPKJRH-UHFFFAOYSA-N 340.467 3.725 0 50 EHAA COc1ccc(Oc2ccc(NC(=O)CCCC(=O)O)cc2)cc1 466522 PELQVHDXMWBLKP-UHFFFAOYSA-N 329.352 3.681 0 50 EHAA CCNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 1079221 TVQVOMORBVODHR-UHFFFAOYSA-N 337.345 3.520 0 50 EHAA CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(CC)cc1)C2 2469565 AOJRZUANUBQBMT-HNNXBMFYSA-N 325.408 3.975 0 50 EHAA CC[C@H](NS(=O)(=O)c1cnn(CC)c1)c1ccc([C@H](C)CC)cc1 2804133 RUVSDNXXAQHGOL-KDOFPFPSSA-N 349.500 3.846 0 50 EHAA O=C(C[C@H](Nc1ccc(Br)cc1)C(=O)O)c1ccccc1 2819223 XMGNQAJSAZVAPS-AWEZNQCLSA-N 348.196 3.587 0 50 EHAA Cc1ccc(S[C@@H](C)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 2881656 LOXARIBRQQCSPJ-AWEZNQCLSA-N 334.529 3.901 0 50 EHAA O=C(NC12CC3CC(CC(C3)C1)C2)c1cncc(Br)c1 4007183 ZZAVMUUVTVJDNX-UHFFFAOYSA-N 335.245 3.543 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)n2c(nc3ccccc32)N1 8739099 UQTVVVUZAOFLSQ-GOSISDBHSA-N 348.406 3.672 0 50 EHAA Nc1c(C(=O)Nc2cccc(Br)c2)sc2ncccc12 8788339 YMXPRALDGOODCV-UHFFFAOYSA-N 348.225 3.893 0 50 EHAA CCc1nc(SCc2cc(O)n[nH]2)c2oc3ccccc3c2n1 9970706 URONEMDQTOZENR-UHFFFAOYSA-N 326.381 3.659 0 50 EHAA COc1ccc2[nH]c(SCC(=O)Nc3cccc(F)c3C)nc2c1 10006490 UEVQMFXZZPJSCO-UHFFFAOYSA-N 345.399 3.750 0 50 EHAA O=C(NCc1ccccc1)c1csc2nc(-c3ccccc3)cn12 11663831 GOQOLFNNAVXLAR-UHFFFAOYSA-N 333.416 3.993 0 50 EHAA Cc1nc(S[C@@H](C)C(=O)N2CCCC2)cc(-c2ccccc2)n1 12000974 ZYBWTHDGUZHQSE-ZDUSSCGKSA-N 327.453 3.555 0 50 EHAA O=C(CCc1ccccc1)Nc1cccc(C(=O)NCc2ccco2)c1 12138288 OCQQSPXFLDIVFZ-UHFFFAOYSA-N 348.402 3.781 0 50 EHAA CCN(C[C@@H]1COc2ccccc2O1)C(=S)Nc1ccccc1 13483410 YCJKERKPMJNTNO-OAHLLOKOSA-N 328.437 3.545 0 50 EHAA CC[C@H](C)Sc1ncc(CN2CCc3[nH]nc(C(C)C)c3C2)cn1 32541174 SYOVXAUKMTWFNO-ZDUSSCGKSA-N 345.516 3.772 0 50 EHAA Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(C(C)C)cc1 33086926 UIFYNVMCZKECEB-QGZVFWFLSA-N 348.468 3.941 0 50 EHAA CC(C)Cc1cn(C2CCN(C[C@@H](C)c3ccccc3)CC2)nn1 55108866 GHQNSLKQWNGPEU-QGZVFWFLSA-N 326.488 3.917 0 50 EHAA CCCCN(Cc1cccc(OC)c1)C(=O)c1ccnn1C(F)F 55132656 HFAFDNSQCNJQEV-UHFFFAOYSA-N 337.370 3.729 0 50 EHAA CC[C@H](C)N(Cc1ccncc1)Cc1cc(OC)c2c(c1)OCO2 55360072 UGQVILPQHXJEBL-AWEZNQCLSA-N 328.412 3.620 0 50 EHAA CCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCC[C@H]1C(=O)NC 55385039 RCCDJRGZXZZVDW-MSOLQXFVSA-N 348.462 3.507 0 50 EHAA COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)c(OC)c1 55542886 RIVVNXIWWVGETH-UHFFFAOYSA-N 346.858 3.679 0 50 EHAA CC(C)NC(=O)c1cc(NCc2c(F)ccc(Cl)c2F)ccn1 72140068 PTOZZMZZOPJHCI-UHFFFAOYSA-N 339.773 3.764 0 50 EHAA CCc1cc(-c2nccn2-c2cccc(-c3ccnc(C)n3)c2)on1 72158164 XCIGSKMWZKTROM-UHFFFAOYSA-N 331.379 3.855 0 50 EHAA NCCc1cccc(CN2CCC[C@H](COc3ccccc3F)C2)c1 72411267 RFEPKWBZRRUFPX-IBGZPJMESA-N 342.458 3.618 0 50 EHAA CCn1cncc1CNc1cc(-c2ccccc2)nc2c(C)c(C)nn12 72424965 UXDWNDDIKMKTRK-UHFFFAOYSA-N 346.438 3.842 0 50 EHAA O=C(c1ncoc1C1CC1)N1CCc2[nH]c3c(Cl)cccc3c2C1 77541142 CYWLGZVURVNGAO-UHFFFAOYSA-N 341.798 3.885 0 50 EHAA O=C(N[C@@H]1COC2(CCCC2)C1)c1csc(-c2cccs2)n1 82092133 LNLWNKMTJSAJQE-NSHDSACASA-N 334.466 3.703 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 91621210 AYVSOPOILKVCPP-MRXNPFEDSA-N 325.456 3.587 0 50 EHAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1ccc2ncccc2c1 95498963 DWYPHHJYQRGVKC-QGZVFWFLSA-N 337.427 3.668 0 50 EHAA O=C(c1cccc(Cn2cccn2)c1)N1CCCC[C@@H]1c1cccnc1 96131054 JTVWXOKXZVDRLZ-HXUWFJFHSA-N 346.434 3.694 0 50 EHAA Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCCC[C@H]1c1cccn1C 151488503 TWIWDRAZORCKSO-GUYCJALGSA-N 344.459 3.670 0 50 EHAA Cc1n[nH]c(C)c1NC(=O)Nc1c(F)cc(F)cc1Br 170609581 XORURYWECBKRJS-UHFFFAOYSA-N 345.147 3.711 0 50 EHAA C[C@H](N[C@@H]1CCCC[C@@H]1C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 170616905 GVTNLEHKSHDTKK-GRDNDAEWSA-N 326.444 3.572 0 50 EHAA CCCn1nccc1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 180503135 VQRFPDGRPPMLRT-GOEBONIOSA-N 348.834 3.598 0 50 EHAA COCc1noc(CNC2(c3ccc(Cl)cc3)CCCCC2)n1 182630656 LFWWZBMQAXOWQV-UHFFFAOYSA-N 335.835 3.819 0 50 EHAA O=C(c1ccoc1Cl)N1CCC[C@H]1C[C@@H](O)c1cccs1 192432860 QGXFSFMJSSQVKO-CMPLNLGQSA-N 325.817 3.723 0 50 EHAA CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(F)F)c2)c1C 195428146 FPICOYHSGKFHPS-UHFFFAOYSA-N 336.338 3.998 0 50 EHAA Cc1cc([C@H]2CCCN2Cc2nn(C)c3cccc(Cl)c23)no1 216413406 NQGHBEOVGDFSRJ-OAHLLOKOSA-N 330.819 3.860 0 50 EHAA COc1ccc2c(c1)CCCN2C(=O)CN1CCC[C@H]2CCCC[C@H]21 230048242 XNEZVCYXYIRWQC-VQIMIIECSA-N 342.483 3.629 0 50 EHAA CC(C)n1cc2cc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)ccc2n1 230101893 YMCMJIDNZJBBRW-JQHSSLGASA-N 342.443 3.696 0 50 EHAA CC(=O)Nc1ccc2nc(CN3C[C@H]4CC(C)=CC[C@H]4C3)ccc2c1 247824199 IKSCHFOAEZBEET-ZWKOTPCHSA-N 335.451 3.981 0 50 EHAA Cc1nc2ccc(NC(=O)c3snc(O)c3Cl)cc2s1 253405540 NYAODXCPZHEKLP-UHFFFAOYSA-N 325.802 3.673 0 50 EHAA O=C(O)CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 261841422 ITKGYNWGAMAILF-XQQFMLRXSA-N 335.366 3.601 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 299739915 SUMMZYBDXVPSDQ-GHYVTOPFSA-N 341.282 3.683 0 50 EHAA O=C(O)C[C@@H]1CCCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 299740488 BCXVYFZPXXEDCS-CYBMUJFWSA-N 345.361 3.705 0 50 EHAA COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)[C@H](C)c1cccs1 328596806 AERXVZAYFSLYEO-XUWXXGDYSA-N 344.480 3.551 0 50 EHAA Cc1ccc(C(=O)Cn2cc(-c3ccc(Cl)cc3)n(C)c2=N)cc1 334157644 XOFNBPOVMDQHIV-UHFFFAOYSA-N 339.826 3.818 0 50 EHAA Cc1sc(C(=O)N(C)CCC2CCOCC2)cc1Br 424721515 MAYUWYUALHPXDE-UHFFFAOYSA-N 346.290 3.708 0 50 EHAA CCO[C@H](C)CN(C)C(=O)c1ccc(-c2ccccc2N(C)C)cc1 426376269 CECSLFKKPKSRJE-MRXNPFEDSA-N 340.467 3.917 0 50 EHAA Cc1csc([C@H](NC(=O)CCCc2ccccn2)C(F)(F)F)n1 650452291 RXAMGOQMZXGKMN-ZDUSSCGKSA-N 343.374 3.589 0 50 EHAA Cc1cc(NC(=O)C[C@H]2CCCCN2C)ccc1NC(=O)C(C)(C)C 827807196 WYUWZQZBQDBGLU-MRXNPFEDSA-N 345.487 3.793 0 50 EHAA CC(C)(C)c1cc(CN[C@H]2CCCN(Cc3cccs3)C2)[nH]n1 952965005 CMKGHGNKPBZWLT-AWEZNQCLSA-N 332.517 3.523 0 50 EHAA CC(C)Oc1cccc(CCNC2CCN(Cc3ccco3)CC2)c1 1506415906 DRIAHPYAPAMXMV-UHFFFAOYSA-N 342.483 3.864 0 50 EHAA Cc1ccc2c(C)cc(N3CCN(C4CCCC4)C(=O)C3)nc2c1C 1529139830 VQEIBGBEMQMISH-UHFFFAOYSA-N 337.467 3.751 0 50 EHAA C[C@@]12C[C@H]1CN(Cc1cc(Cl)ccc1OCCCn1ccnc1)C2 1775982210 LYTQEEXUDRMXHW-LPHOPBHVSA-N 345.874 3.847 0 50 EHAA C[C@@H](O)c1nc(-c2scc3c2CCCC3)n(CC(F)(F)F)n1 1857678869 BQNNHAZGBUFXLA-MRVPVSSYSA-N 331.363 3.501 0 50 EHAA CC[C@H](NC[C@@H](CO)Cc1ccccc1C)c1ccccc1OC 2325742217 TVPKJCAHPCLBNT-PXNSSMCTSA-N 327.468 3.896 0 50 EHAA O=C(O)C[C@H](NC(=O)c1cc2ccccc2s1)c1ccsc1 2325805350 BXMCHAUAKZJVRH-LBPRGKRZSA-N 331.418 3.909 0 50 EHAA COC1(c2ccccc2)CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 2356166178 WJYIXVVFCAPOHD-UHFFFAOYSA-N 334.419 3.946 0 50 EHAA CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccccc2Cl)NC(=O)N1 44063 IOPMOVOPLWDANH-OAHLLOKOSA-N 336.819 3.557 0 50 EHAA COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@@H](C)C2 118421 NDHFWEDXTQDFMA-GFCCVEGCSA-N 343.448 3.841 0 50 EHAA CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 461912 FJONZIFFQLDHDQ-UHFFFAOYSA-N 347.798 3.543 0 50 EHAA OCc1cn(-c2ccc(F)cc2)nc1-c1ccc(Br)cc1 2544733 KDMAGFYJQHJGGX-UHFFFAOYSA-N 347.187 3.933 0 50 EHAA COc1ccc(/C=C/C(=O)NCCSc2ccc(C)cc2)cc1 2969295 SXFTWAVWVICPOC-KPKJPENVSA-N 327.449 3.925 0 50 EHAA CCCCc1cc(=O)oc2c(C)c(OCC(=O)OCCC)ccc12 4803452 ZTYRHFYDVAATJH-UHFFFAOYSA-N 332.396 3.776 0 50 EHAA COc1ccccc1-c1c(C)nn2c(-n3nc(C)cc3C)cc(C)nc12 5348297 KMYWCJKUIZFEOM-UHFFFAOYSA-N 347.422 3.824 0 50 EHAA O=c1c(OCCN2CCCCC2)c(-c2ccco2)oc2ccccc12 12000439 OIXGEZRFYBTCEL-UHFFFAOYSA-N 339.391 3.918 0 50 EHAA O=C(CCC(F)(F)F)N1CCC[C@@](CO)(CCc2ccccc2)C1 12578258 QOHBSJICGCLPPJ-QGZVFWFLSA-N 343.389 3.563 0 50 EHAA O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1Cl 12653826 QEDJEGIVADHBRY-UHFFFAOYSA-N 348.189 3.973 0 50 EHAA Fc1ccc(N[C@H]2CCCN(Cc3cccc4c3OCO4)C2)cc1F 15073496 CWPUBZJMROIGGC-HNNXBMFYSA-N 346.377 3.770 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)nn1C 15074684 PEUDFGUVUMCHDL-GOSISDBHSA-N 340.471 3.569 0 50 EHAA CCC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(F)cc1 17861103 WWLYDDGGYKJMEK-ZUZCIYMTSA-N 349.431 3.864 0 50 EHAA COc1ccc([C@@H]2NC(C)(C)Cc3cc(OC)c(OC)cc32)cc1 22171361 KHOMHKAECWZXKI-IBGZPJMESA-N 327.424 3.726 0 50 EHAA Fc1cccc([C@H]2CN(Cc3ccco3)[C@@H]3C4CCN(CC4)[C@H]23)c1F 72123929 ORUOHLQHBZSJAW-NSISKUIASA-N 344.405 3.620 0 50 EHAA CCC[C@@]1(C(=O)O)CCCN(C(=O)c2cc(Cl)ccc2F)C1 91807796 QWROYBORVSSVNO-MRXNPFEDSA-N 327.783 3.586 0 50 EHAA CC(C)=CC[C@]1(CO)CCCN(Cc2ccc3nsnc3c2)C1 92062200 SOYAESOWRANTSH-GOSISDBHSA-N 331.485 3.622 0 50 EHAA O=C(NCCSc1ccccn1)c1ccc([C@@H]2CCCO2)s1 92098388 RKYTTWAXLRUALA-LBPRGKRZSA-N 334.466 3.517 0 50 EHAA C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(-c3nnc(S)o3)cc2)C1 124359120 FLJIWVIZLHUJMY-VXGBXAGGSA-N 331.441 3.676 0 50 EHAA COc1ccccc1[C@@H](NC(=O)Cc1ccsc1)c1ccccn1 129250310 SWVASXMLYFOYQZ-LJQANCHMSA-N 338.432 3.600 0 50 EHAA N[C@H]1CC[C@H](C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)C1 170048976 RTXWLOMAYYPZNO-KBPBESRZSA-N 346.377 3.501 0 50 EHAA CC[C@@H](SC)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 178577699 VYYWOSPQMOZRJO-SNVBAGLBSA-N 345.346 3.836 0 50 EHAA c1ccc2c(CCCNC3CCN(c4nccs4)CC3)c[nH]c2c1 180190638 MKZSIEJPYLLMQS-UHFFFAOYSA-N 340.496 3.816 0 50 EHAA COc1cc(C)c(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1F 186818994 NTIRIVZFKGXPKA-HNNXBMFYSA-N 346.406 3.852 0 50 EHAA Cc1n[nH]c(C)c1NC(=O)Nc1cc(Br)c(F)cc1F 189169582 BNIQBRXLUCEDPJ-UHFFFAOYSA-N 345.147 3.711 0 50 EHAA Cc1cccc(F)c1NC(=O)[C@@H]1C[C@H]1C(=O)Nc1c(C)cccc1F 192809498 KKAQKWUPBDSNDH-CHWSQXEVSA-N 344.361 3.795 0 50 EHAA Cc1cc([C@@H]2CCCN2Cc2cnc(-c3cccs3)nc2)on1 215314357 UOYBNPGRPUJZAD-AWEZNQCLSA-N 326.425 3.839 0 50 EHAA Cc1ccc([C@H]2CN(C(=O)c3sccc3Cl)C[C@@H]2N(C)C)cc1 219861455 FIKKLAMKESNJBW-ZBFHGGJFSA-N 348.899 3.880 0 50 EHAA CC1(C)[C@@H]2OCCC[C@H]2[C@H]1OC(=O)CCn1ccc2ccccc21 230218347 GLNCNVAUHONRQO-ATZDWAIDSA-N 327.424 3.778 0 50 EHAA O=C(Nc1cccc2ncccc12)c1ncn(-c2ccc(Cl)cc2)n1 252497704 QNOWPOJYKDHHIO-UHFFFAOYSA-N 349.781 3.721 0 50 EHAA CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253533865 RGHGKGRVFXQGOV-YLMBYVEPSA-N 348.527 3.956 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1coc(-c2cccs2)n1 274861107 SWROEWVPBGXINX-YUTCNCBUSA-N 332.425 3.621 0 50 EHAA Cc1csc(CCCC(=O)N2CCCC[C@@H]2c2cccn2C)n1 283531567 SYFVKLJIJDTLAV-MRXNPFEDSA-N 331.485 3.867 0 50 EHAA CC1(C)CC(NC(=O)[C@H](c2cccnc2)N2CCCC2)CC(C)(C)C1 299801772 XPJMZQDMUOOOOT-SFHVURJKSA-N 343.515 3.940 0 50 EHAA O=C(NCCc1nnc(-c2ccccc2)o1)c1cc(F)ccc1Cl 342820062 GLVMHEFLKZLWNP-UHFFFAOYSA-N 345.761 3.502 0 50 EHAA COC1CCN(C(=O)N[C@H](c2cccc(C)c2)c2cccs2)CC1 584894725 PLEPEMRAKIUXCH-GOSISDBHSA-N 344.480 3.966 0 50 EHAA CC(=O)CCC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2o1 888093690 BNPWCHBYGBRJOG-QGZVFWFLSA-N 336.391 3.597 0 50 EHAA C[C@H](CC(=O)N1CC[C@H]([C@H]2CCCO2)C1)c1c[nH]c2ccccc12 894703893 IFJISBDIGOMXEL-ZRGWGRIASA-N 326.440 3.689 0 50 EHAA Cc1ccc(-c2ccc(C(=O)NCC3(Cn4ccnc4C)CC3)cc2)o1 952968714 OBGPSCNPKXTMAD-UHFFFAOYSA-N 349.434 3.970 0 50 EHAA Cc1nnc(NCc2cnn(-c3cccc(F)c3)c2)c2ccccc12 1529105164 XBADACDMSAPADO-UHFFFAOYSA-N 333.370 3.875 0 50 EHAA CCc1nn(C)c(Cl)c1Cc1ccc([C@H](C)N2CCOCC2)cc1 1772812928 SLWMPJDDTJFEJU-AWEZNQCLSA-N 347.890 3.620 0 50 EHAA CC(C)SCc1nnc2sc(-c3cc4ccccc4[nH]3)nn12 1775972026 ATZMANLZIBUUKQ-UHFFFAOYSA-N 329.454 3.976 0 50 EHAA FC(F)(F)c1ccc(CN=c2[nH]c(Cl)nc3[nH]ccc23)cc1 1875272144 MKBOYPFBHBFQBU-UHFFFAOYSA-N 326.709 3.664 0 50 EHAA Cc1cc(O)nc(-c2cccc(NC(=O)[C@@H](C)c3cccc(O)c3)c2)n1 1875338932 QQRIUZWFYJFSOY-ZDUSSCGKSA-N 349.390 3.605 0 50 EHAA Fc1ccc([C@H](Cn2ccnc2)NCCOc2ccccc2F)cc1 2325744983 DDUQJAQCZOVHET-SFHVURJKSA-N 343.377 3.571 0 50 EHAA Cc1ccnc(Oc2ccc(-n3cncn3)cc2)c1Br 2325855146 JYCSVLWMABEJBZ-UHFFFAOYSA-N 331.173 3.526 0 50 EHAA Cc1cc(CN)cc(NC(=O)c2cc3nc(Cl)ccc3s2)c1 2325858695 XMHURGUGXZKERY-UHFFFAOYSA-N 331.828 3.969 0 50 EHAA CC(C)N1CCC[C@]2(CCCN2Cc2nc3ccccc3s2)C1=O 2356152983 LEZVPEKCIRVUTF-LJQANCHMSA-N 343.496 3.662 0 50 EHAA O=C(O)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O 169894 DMJSKFSNMJSLJU-UHFFFAOYSA-N 332.570 3.555 0 50 EHAA CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1 270141 HWAWJXZLZMROQB-UHFFFAOYSA-N 346.452 3.644 0 50 EHAA Cc1ccc(N2C(=O)c3ccc(Br)cc3C2=O)c(C)c1 290319 WYJYIUGZTSMCJB-UHFFFAOYSA-N 330.181 3.867 0 50 EHAA COc1ccc(-c2csc3nc(C)n(-n4cccc4)c(=O)c23)cc1 390189 ROCSZKCSUQTIGR-UHFFFAOYSA-N 337.404 3.555 0 50 EHAA O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1CCCC[C@H]1C(=O)O 484059 QWHZBNHBBJIOFC-VHSXEESVSA-N 338.816 3.779 0 50 EHAA Cc1ccc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1Cl 2709883 NCBNSQWUFGCHNP-SFHVURJKSA-N 329.783 3.759 0 50 EHAA CCCOc1cc(C)c(S(=O)(=O)N2CCCCCC2)cc1C 2871695 XHDWCYALPUWZIF-UHFFFAOYSA-N 325.474 3.657 0 50 EHAA O=C(Cc1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 4749544 SERNJZOXKXTXDK-UHFFFAOYSA-N 342.870 3.663 0 50 EHAA O=C(Nc1cccc(-c2noc(-c3ccncc3)n2)c1)c1ccco1 6698110 OADDNLKYKKBRCQ-UHFFFAOYSA-N 332.319 3.644 0 50 EHAA CCOCCOc1cccc(NC(=O)COc2ccccc2Cl)c1 10325484 JHPVNECAUSVBSU-UHFFFAOYSA-N 349.814 3.773 0 50 EHAA CCCC(=O)Nc1ccc(CC(=O)N[C@H](C)Cc2ccsc2)cc1 55132061 KZESQWFSZPQYJO-CQSZACIVSA-N 344.480 3.777 0 50 EHAA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3)s1 132921627 OJGKRDPVCJEIPV-UHFFFAOYSA-N 337.466 3.877 0 50 EHAA CCN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)[C@@H]1CCCC[C@H]1C 245405134 RTICUYDIBSQRIY-UNEWFSDZSA-N 346.496 3.917 0 50 EHAA CCOc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)ccc1O 55543352 NYCMLDMLZNOIPV-UHFFFAOYSA-N 346.858 3.767 0 50 EHAA Cc1ccccc1N1CCN([C@H]2CCCN(Cc3ccccc3)C2)CC1 20538697 RJWOSVQCFNIABQ-QFIPXVFZSA-N 349.522 3.782 0 50 EHAA C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](C)CC[C@H]2C)s1 246531709 LEQOURZQKRJLNI-AAVRWANBSA-N 334.485 3.774 0 50 EHAA O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H]1c1ccsc1 247758010 YULFTGLMJRFNCG-ROUUACIJSA-N 326.465 3.905 0 50 EHAA CC(C)Oc1cc(CNC(=O)C2(Cc3ccc(F)cc3)CC2)ccn1 353606347 XOIGHTWYGGMPJD-UHFFFAOYSA-N 342.414 3.647 0 50 EHAA Cc1c(C(=O)N2CCC[C@H]2C2CCCC2)nnn1CC1CCCC1 252508611 XPWHRUVPEOYUDX-KRWDZBQOSA-N 330.476 3.572 0 50 EHAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1CC[C@H](N(C)C)C1 71497693 JGHHKGYIGQLLDW-IBGZPJMESA-N 335.451 3.939 0 50 EHAA Cc1cc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)c(C)cn1 253417198 CRNYXVXPQUTRTI-PKOBYXMFSA-N 339.439 3.818 0 50 EHAA CCCc1nc(N[C@H](CC)c2nc(C)c(C)s2)c2cnn(C)c2n1 72454412 LWMJRZMKURDIOL-CYBMUJFWSA-N 344.488 3.952 0 50 EHAA OCCCCN1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 71759203 MBMXVAAJWPPMDX-OAQYLSRUSA-N 339.479 3.682 0 50 EHAA COc1ccc2c(CN(C)[C@H](C)c3nc(C)sc3C)n[nH]c2c1 72133671 SFSNGTNQAQQMBW-SNVBAGLBSA-N 330.457 3.838 0 50 EHAA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)CC1=CCCCC1 377097651 DFEBRJAVLMOFSK-AWEZNQCLSA-N 328.460 3.729 0 50 EHAA CC(C)n1ccc(NC(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)n1 280726680 KBQCZHDOZCLUJP-NVXWUHKLSA-N 328.416 3.506 0 50 EHAA CCCO[C@@H]1CCCN(Cc2cnc(-c3ccc(OC)cc3)nc2)C1 215616691 RNSXRDCQVBAYFJ-LJQANCHMSA-N 341.455 3.543 0 50 EHAA Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Cc1ncnn1C(C)(C)C 282543437 IGIPJGQCXDRORZ-UHFFFAOYSA-N 349.500 3.613 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)Nc1cccc(CCC(=O)O)c1 263035862 LAZVWNJKXPTGKU-UHFFFAOYSA-N 329.356 3.522 0 50 EHAA C=Cc1ccc(CCNC(=O)c2ccc(-n3nccc3C)cc2)cc1 241439897 NNGOROOMAQECSI-UHFFFAOYSA-N 331.419 3.796 0 50 EHAA Cc1ccc(NC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)cc1O 131748451 RHYGMZPDFSXMGV-UHFFFAOYSA-N 340.423 3.615 0 50 EHAA CC(C)n1c([C@@H](C)NC(=O)[C@@H](C)c2ccccn2)nc2ccccc21 339281712 IUATYRKWDIGWRI-LSDHHAIUSA-N 336.439 3.993 0 50 EHAA CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc3nc(S)oc3c2)C12CCC2 132592725 XVSQKNWXZXUTIU-CABCVRRESA-N 346.452 3.536 0 50 EHAA CCN(CC)CCN(C)C(=O)c1ccc(-c2cc(C)ccc2O)cc1 426593834 SADULNKBLLBPIA-UHFFFAOYSA-N 340.467 3.781 0 50 EHAA COc1ccc(NC(C)=O)cc1NC(=O)N1CC[C@@H]2CCCC[C@H]2C1 43668995 CZTLZWKKONZLKL-GJZGRUSLSA-N 345.443 3.698 0 50 EHAA CC(C)C[C@@H](NC(=O)Nc1ccc(Cl)cc1F)c1ncnn1C 96149167 JIZUACPEAQQKHK-CYBMUJFWSA-N 339.802 3.517 0 50 EHAA O=C(NCCNc1cccnc1)c1sc2cccc(F)c2c1Cl 91319802 JEQUZEQEAPBYMR-UHFFFAOYSA-N 349.818 3.931 0 50 EHAA C[C@H]1CCCCN1C1CN(Cc2cnc(-c3ccccc3)s2)C1 244608507 FDYCJIGSJPKLPP-HNNXBMFYSA-N 327.497 3.869 0 50 EHAA Cc1ccnc(CNC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)c1 293957075 FXNRKEMAKVTUOI-UHFFFAOYSA-N 339.439 3.613 0 50 EHAA c1ccc(-c2nc(CNc3nnc(CC4CCCC4)o3)cs2)nc1 181809475 CBQOOPQIWWADHY-UHFFFAOYSA-N 341.440 3.933 0 50 EHAA O=C(Nc1ccc(-n2nccn2)cc1)c1scnc1C1CCCC1 184027778 LTQCFGNXQINVNB-UHFFFAOYSA-N 339.424 3.634 0 50 EHAA C[C@H](Oc1ccccc1)c1csc(NC(=O)c2ccnc(O)c2)n1 1940196577 TWXQKSPTGYSWNE-NSHDSACASA-N 341.392 3.636 0 50 EHAA CC(C)c1nsc(CNC(C)(C)c2nc3ccccc3n2C)n1 1335814799 OMSCFFAYQVSDJN-UHFFFAOYSA-N 329.473 3.573 0 50 EHAA CC(C)Cn1cncc1CNCc1cc2ccc(Cl)cc2nc1O 952988220 MWHVXKNZUZHOPM-UHFFFAOYSA-N 344.846 3.736 0 50 EHAA CC(C)n1cnnc1[C@H](C)Nc1nc(-c2ccccc2)nc2c1CCC2 952864602 KQBSSJCZCXCNFI-AWEZNQCLSA-N 348.454 3.978 0 50 EHAA c1ccc(-n2nc(C3CC3)cc2-c2nnc(-c3ccncc3)o2)cc1 170127518 OPWVFWUDPOSGNO-UHFFFAOYSA-N 329.363 3.862 0 50 EHAA CN(Cc1ccc(Oc2ccccc2)cc1)C[C@H]1CCC(=O)N(C)C1 1772810105 HNGVOYCBGBZHDJ-GOSISDBHSA-N 338.451 3.779 0 50 EHAA O=C(N1CCOCC1)n1cnc(-c2ccccc2)c1-c1ccccc1 5642653 CXOLKAKLTMYCRG-UHFFFAOYSA-N 333.391 3.517 0 50 EHAA O=C(c1ccccn1)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 11955193 PVLPAPDYEPXMDE-HNNXBMFYSA-N 330.378 3.845 0 50 EHAA O=C(CC1=CCCCC1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 12429658 AJTATVRXNANYEN-UHFFFAOYSA-N 339.414 3.991 0 50 EHAA COc1ccccc1CN1CCC[C@](CO)(Cc2ccccc2C)C1 12589622 OBKUKJBALNTCQC-QFIPXVFZSA-N 339.479 3.821 0 50 EHAA c1cncc(CNCc2ccc(OCc3ccc4c(c3)OCO4)cc2)c1 15083792 ZPKMBLGQCBCIQT-UHFFFAOYSA-N 348.402 3.679 0 50 EHAA CCCN1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1 16604663 APOAMEWRGATIOH-UHFFFAOYSA-N 329.271 3.527 0 50 EHAA O=C(NCC1CCC(F)(F)CC1)N[C@H]1CCOC2(CCCC2)C1 241466200 NVMHMTCLECJNCG-AWEZNQCLSA-N 330.419 3.603 0 50 EHAA Cc1noc(C)c1CC(=O)NCCCCc1ccc(Cl)s1 225463714 WEWMBPLLLRLNBC-UHFFFAOYSA-N 326.849 3.688 0 50 EHAA C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)CO 257373059 ZESRJSPZRDMNHY-QWSDNZPMSA-N 330.468 3.696 0 50 EHAA biogenic CC(C)c1ccc(C2(C(=O)N3CC[C@](C)(CN)C3)CCCC2)cc1 261941634 JKCBVZKWGZWTRB-HXUWFJFHSA-N 328.500 3.819 0 50 EHAA CC(=O)N1CCC[C@H](c2noc(-c3ccc(C(F)F)c(F)c3)n2)C1 904013037 GHRVUEDHCXWBLR-NSHDSACASA-N 339.317 3.539 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cnc(CC(C)C)s1 935123447 GBZJJXWKSLDFJX-ZDUSSCGKSA-N 332.473 3.659 0 50 EHAA CCO[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1 885331267 RJOXKBLCJNRECF-INIZCTEOSA-N 346.814 3.778 0 50 EHAA COc1ccc(SCCCC(=O)NO[C@@H](C)c2ccncc2)cc1 2325783331 PLBKTMVQOMKHQR-AWEZNQCLSA-N 346.452 3.772 0 50 EHAA CCN(CC)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1 105020 DDKHJZWHMUZSGF-UHFFFAOYSA-N 334.427 3.770 0 50 EHAA O=C(O)c1cccnc1Sc1ncc(C(F)(F)F)cc1Cl 166432 VLGROHDCHOAOOQ-UHFFFAOYSA-N 334.706 3.998 0 50 EHAA O=C(c1cccs1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 304059 FMRWDGLLHPHWMQ-UHFFFAOYSA-N 340.370 3.729 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Cl 556323 RHHARPKGODOXTE-UHFFFAOYSA-N 343.858 3.653 0 50 EHAA Cn1c(CN2CCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21 1064160 ZOXCBTXMYKDVLJ-UHFFFAOYSA-N 349.438 3.813 0 50 EHAA Cc1nc(N)sc1-c1nnc(SC/C=C/c2ccccc2)n1C 2710638 QIWCUHDQWAPEPT-RMKNXTFCSA-N 343.481 3.635 0 50 EHAA Cc1ccc(OCCCn2cnc3ccccc3c2=O)c(Cl)c1 2863179 VFYVONRPTUGHHO-UHFFFAOYSA-N 328.799 3.827 0 50 EHAA CCOC(=O)c1sc(NC(=O)C[C@H](C)c2ccccc2)nc1C 4814329 CNXCGJORYRWJTA-NSHDSACASA-N 332.425 3.761 0 50 EHAA COc1ccc(-c2nnc(S)n2-c2ccccc2C)cc1OC 5687836 GJKPGICTEDMOID-UHFFFAOYSA-N 327.409 3.549 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)N[C@@H](C)c1ccccc1 6825615 YDTVRVCFRDSQEB-NSHDSACASA-N 334.466 3.891 0 50 EHAA Cc1cc(C(=O)N2CC[C@@H](C3CCN(CC(C)C)CC3)C2)c(C)o1 11817397 QYNHIRROGILWOX-GOSISDBHSA-N 332.488 3.727 0 50 EHAA c1ccc(N[C@@H]2CCCN(Cc3cccc(-n4cccn4)c3)C2)cc1 11821512 PIFOVFZZBITQFY-HXUWFJFHSA-N 332.451 3.949 0 50 EHAA CCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(F)cc1 17836167 WWLYDDGGYKJMEK-MEBBXXQBSA-N 349.431 3.864 0 50 EHAA Cc1oc(=O)oc1CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1 45221850 IEPHJSSPINMAED-UHFFFAOYSA-N 348.424 3.684 0 50 EHAA NCCCCCNC(=O)C[C@H](c1ccccc1)c1ccc(F)cc1 55212159 DJNYAJLCJXPTAU-LJQANCHMSA-N 328.431 3.593 0 50 EHAA COc1cccc(CNC(=O)c2c(C)c(C)cc(C)c2C)c1OC 55242749 KBIJIQMVJZFFCH-UHFFFAOYSA-N 327.424 3.867 0 50 EHAA Cc1ccccc1-c1nn2c(CN3CCCCCC3)nnc2s1 57524535 AUYIAKVKOPYLEF-UHFFFAOYSA-N 327.457 3.537 0 50 EHAA O=C(COC(=O)C1CCCCC1)c1ccc(Br)cc1 58968999 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349.434 3.666 0 50 EHAA CC[C@H](O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 156119316 BZCOUIIGLXWKLG-HNNXBMFYSA-N 343.452 3.758 0 50 EHAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2ccc[nH]2)n[nH]1 169773396 PETDEEISOXZSCR-UHFFFAOYSA-N 336.273 3.556 0 50 EHAA CCN1c2cc(C(=O)Nc3ccccc3)ccc2C(=O)N2CCCC[C@@H]21 169780558 CZJBODBUXMRPEA-LJQANCHMSA-N 349.434 3.731 0 50 EHAA CC(C)(C)c1nc2c(Br)ncc([Si](C)(C)C)c2o1 169976487 LNJWYCVLOBKPSZ-UHFFFAOYSA-N 327.298 3.828 0 50 EHAA in-vitro Cc1cc(C)n2ncc(-c3noc(CNc4c(C)cccc4C)n3)c2n1 170003263 QDXXPYAXWKEAAV-UHFFFAOYSA-N 348.410 3.625 0 50 EHAA Cc1cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc(O)n1 180356226 HPNDDGHCUKQXST-SFHVURJKSA-N 335.407 3.944 0 50 EHAA COc1cccc(CN2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)n1 181141582 OLDKURQDDFNQQI-HNNXBMFYSA-N 336.439 3.655 0 50 EHAA CC[C@H](C)Oc1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)ccn1 182526787 IJPVTVRXPXHDSW-NSHDSACASA-N 342.424 3.963 0 50 EHAA C[C@H](CN(C)C(=O)c1cnc(-c2ccco2)s1)c1nccs1 184929858 PJIOJPWHEGAINO-SNVBAGLBSA-N 333.438 3.735 0 50 EHAA 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Cc1ccc(NS(=O)(=O)c2ccccc2)c(Br)c1 405617 NIEOPSZJOCWMCU-UHFFFAOYSA-N 326.215 3.558 0 50 EHAA CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)cc1 449728 YKBNAMPQPGENCR-QGZVFWFLSA-N 327.380 3.659 0 50 EHAA CCOc1ccccc1[C@H]1CC(=O)Nc2cc(OC)c(OC)cc21 612083 RVWWQPJIIUVMMW-CYBMUJFWSA-N 327.380 3.577 0 50 EHAA CC(C)(C)NC(=O)[C@@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C 613391 FSVYVDGKEZJLBL-LEWJYISDSA-N 337.467 3.874 0 50 EHAA CCSc1nnc(NC(=O)COc2cc(C)ccc2Cl)s1 2872761 FXKGUQUSIVOMFP-UHFFFAOYSA-N 343.861 3.629 0 50 EHAA COC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 2989324 HRSBCPZNUCHXON-UHFFFAOYSA-N 336.347 3.689 0 50 EHAA CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1F 4113701 ZMRHGYILDNXKHW-MRXNPFEDSA-N 334.391 3.577 0 50 EHAA COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c(OC)c1 4902455 XVIKFLGWRBXPEH-UHFFFAOYSA-N 340.423 3.946 0 50 EHAA C/C=C/CN1CCC=C(CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 65404402 INJFMHOYIWFYCA-NSCUHMNNSA-N 328.500 3.527 0 50 EHAA CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccc(F)c2)cc1 20402132 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3.576 0 50 EHAA c1cnn(CC[C@H]2CCCCN2Cc2ccc(-c3cc[nH]n3)s2)c1 77390922 POTAMZRJBLAKTG-OAHLLOKOSA-N 341.484 3.780 0 50 EHAA Cc1csc(CCCC(=O)N2Cc3ccccc3N(C)C[C@H]2C)n1 283341953 HTVAJQOJGLTKPU-OAHLLOKOSA-N 343.496 3.641 0 50 EHAA Cc1ccc(F)c(C(=O)N[C@@H](C)c2nnc(C(C)C)o2)c1Cl 426409253 YJSYNOFTZLTYKY-VIFPVBQESA-N 325.771 3.785 0 50 EHAA Cc1ccsc1CNC(=O)c1cc(-n2cccn2)ccc1Cl 97831099 OUOCMNREIRPKER-UHFFFAOYSA-N 331.828 3.826 0 50 EHAA Cc1ccnc([C@@H](C2CC2)n2cc(-c3nc(C)n4ccccc34)nn2)c1 91504998 LCCZVIKOBSFDDY-HXUWFJFHSA-N 344.422 3.604 0 50 EHAA CC[C@]1(C(=O)O)CCCN(Cc2cc(F)c(OC)c(Cl)c2)C1 91665403 RYEMIWPXQKKINO-INIZCTEOSA-N 329.799 3.565 0 50 EHAA Cc1[nH]c2c(c1C(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CCC2 91934971 RKDCHDXSUFSSIJ-UHFFFAOYSA-N 345.468 3.694 0 50 EHAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3c(ccn3CC)c1)C2 92077832 IIQMWCXNYMQNNB-VQIMIIECSA-N 339.483 3.608 0 50 EHAA O=C(O)CCCCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 299833754 IMNFWVPWGLVOKS-UHFFFAOYSA-N 337.379 3.813 0 50 EHAA CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(O[C@H]2CCCCO2)cc1 498050833 GMBMJUCZTQHNDM-IKGGRYGDSA-N 333.428 3.973 0 50 EHAA COCCCN(Cc1cccc(OC)c1)C(=O)c1cccc(C)c1C 952972452 GVOZZWUYXUQCFG-UHFFFAOYSA-N 341.451 3.991 0 50 EHAA CC(C)c1cc(C(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)on1 885938891 GAYPQUHQPMKOKC-MRXNPFEDSA-N 344.411 3.998 0 50 EHAA CCOCc1ccccc1CNc1ccc2nnc(C(C)(C)C)n2n1 274850282 YAFOXMRTQDTDEV-UHFFFAOYSA-N 339.443 3.570 0 50 EHAA Cc1cc(C)nc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c1 680914078 KXLUQOSSOGJNTI-PKOBYXMFSA-N 339.439 3.988 0 50 EHAA COc1cc(OC)cc(N(C)C(=O)c2cc(Cl)nc(Cl)c2)c1 786673055 ZVSKVLXZYSHWNF-UHFFFAOYSA-N 341.194 3.682 0 50 EHAA COc1ccc(CNCc2ccc(Br)cc2)c(OC)c1 172196 ZQBKESGZBXTSNW-UHFFFAOYSA-N 336.229 3.756 0 50 EHAA COCC1(CNC2CCN(c3ccc(F)cc3C)CC2)CCCC1 1506403432 BFNKJMFELMYXGV-UHFFFAOYSA-N 334.479 3.899 0 50 EHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)C=C(C)C)C1 12052296 MFRCHMWRBOAPBA-HXUWFJFHSA-N 347.430 3.506 0 50 EHAA CCN(CC)[C@@H]1CCN(C(=O)c2oc3c(C)c(C)ccc3c2C)C1 12195240 SUTYGWBBHWLPLD-MRXNPFEDSA-N 328.456 3.914 0 50 EHAA C/C=C(\C)CN1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12297465 TVJZRFHGDMTJAR-QPHYPNAHSA-N 330.447 3.606 0 50 EHAA Cc1ccccc1CNC(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1 12763770 LHFGJVOPDKDQJL-SFHVURJKSA-N 342.483 3.573 0 50 EHAA COC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 14399984 QYRSWHYWPQRGCG-UHFFFAOYSA-N 338.407 3.716 0 50 EHAA COc1ccccc1CN1CCC[C@H](c2[nH]ncc2CC(C)C)C1 19594834 YWTCZYLLEHCAQG-KRWDZBQOSA-N 327.472 3.996 0 50 EHAA O=C(c1ccccc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 169677599 ONAFYSXUZBYFOI-XSDIEEQYSA-N 336.479 3.722 0 50 EHAA CC1(C)C[C@H](NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)c2ccccc21 129646588 WCMNYHKGTDGNQA-WBAXXEDZSA-N 328.456 3.666 0 50 EHAA CSc1c(C(=O)Nc2nc(-c3ccccc3C)cs2)cnn1C 359585816 FXODQSSHSXFHGO-UHFFFAOYSA-N 344.465 3.826 0 50 EHAA COc1nc(C(F)(F)F)ccc1-c1cnc(C2CCOCC2)o1 904804867 GMWDFBLRRBPIIN-UHFFFAOYSA-N 328.290 3.658 0 50 EHAA C[C@H](Nc1cccc(-c2n[nH]c3c2COCC3)c1)c1cccc(CO)c1 2325803714 XDGLYLLNQAHNEK-AWEZNQCLSA-N 349.434 3.815 0 50 EHAA Clc1ccc(CCN(CC2CC2)c2nccn3cncc23)cc1 2325854747 SHWRDGBDEQBSBN-UHFFFAOYSA-N 326.831 3.842 0 50 EHAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)c1 870829154 PTRDWNNTSJUZKA-OAHLLOKOSA-N 341.436 3.553 0 50 EHAA COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)cc(OC)c1 441596 YXIWDWRVABESSK-UHFFFAOYSA-N 343.404 3.658 0 50 EHAA Cn1c(SCCc2ccccc2)nnc1-c1ccc2c(c1)OCO2 463188 GKBMJVFGIUMXBU-UHFFFAOYSA-N 339.420 3.546 0 50 EHAA Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 247958747 NGIHOXKEIAEPBB-MYBUGEPTSA-N 338.373 3.963 0 50 EHAA O[C@@]1(c2ccccc2)CCC[C@H]2CN(Cc3ccc(Cl)cn3)C[C@H]21 2356148929 AJKSIWXSTINIJK-CWFSZBLJSA-N 342.870 3.855 0 50 EHAA COc1ccc(NC(=S)N2c3ccccc3C[C@@H]2C)cc1OC 2857712 RYSYUXGRXMVBFW-LBPRGKRZSA-N 328.437 3.852 0 50 EHAA OCCn1c(SCCOc2ccc(Cl)cc2)nc2ccccc21 2918396 DYMSVKNZQOFKCO-UHFFFAOYSA-N 348.855 3.853 0 50 EHAA CSc1ccc(/C=C/c2nc(N)nc(-c3ccccc3O)n2)cc1 3906353 OCTUFSNAQJJJMK-DHZHZOJOSA-N 336.420 3.719 0 50 EHAA O=C(c1cccs1)c1cn(CC(=O)N2CCCC2)c2ccccc12 4169061 HFQIEKSSAGLUNI-UHFFFAOYSA-N 338.432 3.556 0 50 EHAA Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@H]2c1cccc(Cl)c1 4519861 JIMVZQUCOYAYRX-AWEZNQCLSA-N 339.778 3.633 0 50 EHAA CCCCN(Cc1ccco1)C(=O)c1cnc(-c2ccccn2)nc1 55042399 UZDTZGOOUBRVOP-UHFFFAOYSA-N 336.395 3.574 0 50 EHAA Cc1ccc(CN(C(=O)CCCN2CCCC2=O)C2CCCC2)s1 55393469 SSHPSEQGWOPWBG-UHFFFAOYSA-N 348.512 3.730 0 50 EHAA CCOC(=O)[C@H]1CCCCN1Cc1ccc(OC)c2ccccc12 23281666 YETLUUUKLKHNTJ-GOSISDBHSA-N 327.424 3.766 0 50 EHAA CCc1ccc([C@H]2CCCCN2C(=O)[C@@H]2CCCc3[nH]ncc32)o1 134401701 DMYSUDMJMMQHMP-RHSMWYFYSA-N 327.428 3.739 0 50 EHAA CC(C)[C@@H]1C[C@@H](Cc2nc(-c3cc[nH]c4nccc3-4)no2)CCO1 351164167 ZUHXBKUXMNNUHY-WFASDCNBSA-N 326.400 3.558 0 50 EHAA Cc1cc(C)n(C(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)n1 2776807 UVRYFCXQTYOLLR-VIFPVBQESA-N 334.729 3.578 0 50 EHAA O=C(Cc1cccs1)Nc1ccccc1C(=O)N1CCCCCC1 72115706 IKRQOUQZYGPULX-UHFFFAOYSA-N 342.464 3.946 0 50 EHAA COc1ccc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1O 71281187 MNRDDFMXDCHHRM-CYBMUJFWSA-N 327.384 3.836 0 50 EHAA CC1(C)CN(C(=O)NCCc2cccs2)CC[C@@H]1C(F)(F)F 252510451 ZLCWORYNHMGBSB-LBPRGKRZSA-N 334.407 3.911 0 50 EHAA CN1CCCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 170814296 BMVMRQOTIYAZFV-UHFFFAOYSA-N 330.478 3.894 0 50 EHAA CCCn1nc(C)c(C(=O)N2CCCN(C)c3ccc(F)cc32)c1C 151053413 SZJRPVYMSMRFDS-UHFFFAOYSA-N 344.434 3.536 0 50 EHAA CCn1ccc2cc(CN3CCC(O)(c4cccnc4)CC3)ccc21 215100043 LZTBALJDCKFXDA-UHFFFAOYSA-N 335.451 3.540 0 50 EHAA CC(C)C(=O)NCc1cc(NC(=O)C(C)C)cc(C(F)(F)F)c1 154658115 FJTBQJZQWXOZRB-UHFFFAOYSA-N 330.350 3.572 0 50 EHAA c1ccc(OCc2ccc(-c3noc(CC[C@@H]4CCNC4)n3)cc2)cc1 261746967 LLOFYJPBYZBSHL-MRXNPFEDSA-N 349.434 3.858 0 50 EHAA Cc1noc(C)c1CN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280474316 PDEQVKRCEKCNCZ-BLLLJJGKSA-N 340.345 3.618 0 50 EHAA Cc1ccc(C(=O)N2CCC3(CCCCCC3)C2)cc1OCCN 426498448 HHNNUUNRTAKSPG-UHFFFAOYSA-N 330.472 3.519 0 50 EHAA O=C(c1ccc(Cl)cc1)N1CCC(c2nccn2CC2CC2)CC1 95359065 YKUCYOIYGIMTJC-UHFFFAOYSA-N 343.858 3.966 0 50 EHAA O=C(C1=Cc2ccccc2OC=C1)N1CCCC[C@@H]1CCn1cccn1 95358287 NVQLEUDTNAUYLV-LJQANCHMSA-N 349.434 3.644 0 50 EHAA CNC(=O)c1ccc(OC)c(-c2cccc([C@H](C)N3CCCC3)c2)c1 96150371 RWHMIJKCEHHXDT-HNNXBMFYSA-N 338.451 3.879 0 50 EHAA c1ccc(-c2ccnc(NCc3c[nH]nc3-c3cccs3)n2)nc1 97522537 RRLSVKJGFLTUMW-UHFFFAOYSA-N 334.408 3.602 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 256445848 NFVCQZNBRFPYOP-YYIOEIGSSA-N 334.500 3.566 0 50 EHAA C[C@@H](c1ccc(-c2cc(C(=O)O)ccc2F)cc1)N1CCOCC1 534584480 MRDCXFNAIPDVMJ-ZDUSSCGKSA-N 329.371 3.584 0 50 EHAA O=C(c1cccc(-c2ccc(O)c(CO)c2)c1)N1CCCCCCC1 299782588 GCGJYVDWBOYQGU-UHFFFAOYSA-N 339.435 3.958 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)C(=O)Nc2ccc(Cl)nc2C)c1 299780613 ARWHGQRTMAGPSQ-LBPRGKRZSA-N 332.835 3.842 0 50 EHAA Cc1ncsc1CCC(=O)Nc1ccccc1OC[C@@H]1CCCO1 828075349 LVTWPZDGXNHKQD-AWEZNQCLSA-N 346.452 3.581 0 50 EHAA COc1ccc2nc(CNCc3ccc([C@H]4CCCCO4)o3)[nH]c2c1 952860175 HDRFBYCYFGIHCP-QGZVFWFLSA-N 341.411 3.696 0 50 EHAA CCOC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 192156 RGLCSVSNNAHOSL-UHFFFAOYSA-N 342.376 3.832 0 50 EHAA COc1cccc(CN(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 273442674 NQAWWRVIFBTFMA-MSOLQXFVSA-N 330.403 3.581 0 50 EHAA CN(c1ccc2cccc(Br)c2n1)[C@@H]1CCCC[C@H]1O 170601066 PXQICTZSPAFSCQ-ZIAGYGMSSA-N 335.245 3.737 0 50 EHAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2csc(C)n2)cn1 189106270 GUCCJGKSQHQTIF-CQSZACIVSA-N 332.429 3.614 0 50 EHAA COc1cc(NC(=O)N2CCSC[C@H](C)C2)ccc1OC(C)C 192268938 LQGQLLJBCSIDKA-CYBMUJFWSA-N 338.473 3.699 0 50 EHAA Cc1cccc([C@@H](NC2CCN(Cc3ccco3)CC2)C2CC2)n1 1506423947 YTHWRFPZKKTZET-FQEVSTJZSA-N 325.456 3.688 0 50 EHAA CC(C)[C@H](O)C1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 12026052 QWDSEHHSSYJOAZ-KRWDZBQOSA-N 349.862 3.619 0 50 EHAA COc1ccc(NC(=O)Cc2noc(-c3ccccc3Cl)n2)cc1 16577457 LIXDEQWTBRWATF-UHFFFAOYSA-N 343.770 3.580 0 50 EHAA Cn1cc(NC2CCN(c3cccc(-c4ccccc4)c3)CC2)nn1 19635607 IOLGWMRPBDUWIA-UHFFFAOYSA-N 333.439 3.563 0 50 EHAA Fc1ccc(OC[C@H]2CCCN(Cc3cccc4ccnn34)C2)cc1 1857693754 LBCCOONGNJLAKH-INIZCTEOSA-N 339.414 3.764 0 50 EHAA CNCc1cccc(CNC(=O)c2ccc3ncccc3c2Cl)c1 1875349776 MGHKKMVTQYBTPS-UHFFFAOYSA-N 339.826 3.538 0 50 EHAA Cc1ccc(F)c2oc(C(=O)N[C@@H]3CCC4(CC4)C[C@@H]3C(=O)O)cc12 1875344310 BRNXFEPMRRRISE-GXTWGEPZSA-N 345.370 3.644 0 50 EHAA CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Nc1cnn2cccnc12 2325810494 NLBNXTFAUYHORK-OAHLLOKOSA-N 335.411 3.529 0 50 EHAA Cc1sc2[nH]c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)c2c1C 245414 XKRRFGSXVNFULX-UHFFFAOYSA-N 341.219 3.664 0 50 EHAA COc1ccc(-c2cc3cc(OC)c(OC)cc3cn2)cc1OC 350310 LLYQTYHOTHOUQM-UHFFFAOYSA-N 325.364 3.936 0 50 EHAA biogenic O=C(c1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 433971 QPJAKDVDUBDVKO-UHFFFAOYSA-N 335.234 3.956 0 50 EHAA CCC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1 4857735 BEDKTUDQVXUREP-CYBMUJFWSA-N 338.432 3.845 0 50 EHAA O=C(c1ccc(Cl)cc1F)N1CCN(c2ccc(F)cc2)CC1 7848214 JVJNNVBZWZDNJS-UHFFFAOYSA-N 336.769 3.581 0 50 EHAA O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Oc2ccccc2)cc1 7929535 QHPQSJHZNIFFBT-QKPHTXKDSA-N 349.386 3.615 0 50 EHAA CCCc1nc(CN(CC)Cc2ccc([C@H]3CCCO3)s2)no1 55575323 ROWMNSSSRWCBSA-CQSZACIVSA-N 335.473 3.957 0 50 EHAA CC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](N2CCCC2=O)CC1 412834042 DJYNBNGRAQLCST-RBUKOAKNSA-N 348.531 3.987 0 50 EHAA CNCCCCNC1CCN(c2cccc(-c3ccccc3)c2)CC1 63868583 ATXCQHFJBFPTRK-UHFFFAOYSA-N 337.511 3.912 0 50 EHAA O=C(NC[C@@H]1CCCCO1)c1cc(-c2ccco2)nc2ccccc12 141766216 KBKIYNZETVRVBS-AWEZNQCLSA-N 336.391 3.794 0 50 EHAA COC(=O)[C@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 3048605 OZHWPTNVQOKNQW-OAHLLOKOSA-N 347.208 3.979 0 50 EHAA O=C(O)C[C@@H](NC(=O)c1ccco1)c1ccc(Cl)cc1Cl 4717971 RHNOVJWZGQVWNX-LLVKDONJSA-N 328.151 3.532 0 50 EHAA Cc1noc(C)c1NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71771154 QIQDYGLYCAAXSU-CQSZACIVSA-N 335.791 3.550 0 50 EHAA O=C(c1ccccc1OC1CCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 121618527 CGJTVVDNQMGCOV-IIBYNOLFSA-N 343.467 3.775 0 50 EHAA C[C@H]1C[C@@H](C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CCN1C 253417797 HCMVIVCIAYMTBD-LQBOVUBWSA-N 348.490 3.891 0 50 EHAA C[C@@H](NC(=O)CCn1cc(Cl)cn1)C12CC3CC(CC(C3)C1)C2 8534842 FKMQJUAWHPKMFN-QLFDAEIZSA-N 335.879 3.648 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)NCc2cccc3[nH]ccc23)c1 72431140 BUHBXXKTHBQSDU-UHFFFAOYSA-N 336.435 3.801 0 50 EHAA O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1cccc(F)c1 36620687 CTMGJMVIFMIRIN-MRXNPFEDSA-N 342.370 3.966 0 50 EHAA CC(C)c1cc(N[C@H](Cn2ccnc2)c2ccccc2)n2nccc2n1 72462660 LLFNZTIHKPIOHM-GOSISDBHSA-N 346.438 3.903 0 50 EHAA C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccnc(C(=O)O)c1 237573127 AKGIIJUHQWTYLW-VXGBXAGGSA-N 346.814 3.697 0 50 EHAA COCCn1cncc1CN1CCCC[C@@H]1CCc1cccs1 77420471 SXUVMAJINHNZNO-MRXNPFEDSA-N 333.501 3.578 0 50 EHAA Cc1cc(C)c2c(c1)[C@@H](NCc1cnc3n1CCCC3)CCCO2 367439469 UUGAIWSAUYKERP-SFHVURJKSA-N 325.456 3.840 0 50 EHAA O=C(O)[C@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)C1 261616976 FNNRNUCIJQRVBK-AWEZNQCLSA-N 340.379 3.807 0 50 EHAA c1ccc(CNc2ncc(-c3nccn3C[C@H]3CCCCO3)cn2)cc1 71662619 CPFWOIUBLXUVDL-GOSISDBHSA-N 349.438 3.521 0 50 EHAA O=C1CC[C@@]2(CCCO2)CCN1Cc1cccc(C(F)(F)F)c1 71752170 QYHWBJOXNXZVNN-INIZCTEOSA-N 327.346 3.767 0 50 EHAA O=C(O)C[C@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1ccccc1 237936101 MDCJHWGHEMBBKT-HKUYNNGSSA-N 337.419 3.829 0 50 EHAA Cc1ccc(Oc2ccc(C(=O)NCCc3ccccc3)cc2)nn1 72437308 ZJPYGQROUUUACQ-UHFFFAOYSA-N 333.391 3.550 0 50 EHAA Cc1ccc(NC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c(C)c1 72124062 GBVIWGADBDDNHX-KRWDZBQOSA-N 343.471 3.702 0 50 EHAA O=C([C@H]1Cc2ccccc2O1)N(Cc1ccsc1)c1cccnc1 171353367 MBMJPYYUFYHFQT-GOSISDBHSA-N 336.416 3.680 0 50 EHAA O=C(CC1CCNCC1)N1CCC[C@@]2(CCCCc3ccccc32)C1 378202486 NJNAOVLEHXYZHW-QFIPXVFZSA-N 340.511 3.663 0 50 EHAA Cc1nn(C)c(Cl)c1CN1CCCC[C@H]1c1nnc(C2CCC2)o1 286234016 LVLZRWIRSOXDQH-AWEZNQCLSA-N 349.866 3.760 0 50 EHAA C[C@H](NC(=O)c1ccc2c(c1)NC(=O)C2)c1ccc(C(F)(F)F)cc1 239722551 CDIBNXIHITXPAH-JTQLQIEISA-N 348.324 3.691 0 50 EHAA Cc1nc([C@@H](C)N(C)C(=O)c2cccc(-c3ncc[nH]3)c2)c(C)s1 82138948 YLENHZVEGCAAQP-LLVKDONJSA-N 340.452 3.983 0 50 EHAA Cc1cccc(CN2CCC[C@]3(CCN(c4ccnc(C)n4)C3)C2)c1 426503335 PDFDUKKIKGPNIN-NRFANRHFSA-N 336.483 3.586 0 50 EHAA Cc1nc(C2CCCC2)sc1C(=O)N1CCOc2ccncc21 174907336 WDGFJSUBXLYCRL-UHFFFAOYSA-N 329.425 3.543 0 50 EHAA Cc1ccc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)cc1 85479579 KXTWYLAZLSBHJC-AWEZNQCLSA-N 342.826 3.526 0 50 EHAA CSCc1ccc(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)o1 222685789 OXKGSFUQPZCFIY-ZDUSSCGKSA-N 341.436 3.819 0 50 EHAA Cc1nc(C)c(CC(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)s1 97436816 HSCHZGUVHDJNLH-IAGOWNOFSA-N 344.480 3.557 0 50 EHAA S=C1N[C@@H](c2ccccc2)N(C[C@H]2CCCO2)C2=C1CCCC2 245240430 RXVQOODXQFDNAH-CRAIPNDOSA-N 328.481 3.925 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(F)c1F 181189583 KADDGXHLRAPTIY-BMIGLBTASA-N 348.397 3.912 0 50 EHAA CC(C)C[C@H](C(=O)Nc1ccc(F)c(C(=O)N(C)C)c1)n1cccc1 253394484 ADBSBHUZPCBDEQ-QGZVFWFLSA-N 345.418 3.555 0 50 EHAA Cc1ccc(SCCNC(=O)N(C)CCC[C@H]2CCCO2)cc1 534649393 WVIOVQPABHPXLT-INIZCTEOSA-N 336.501 3.688 0 50 EHAA Cc1cc(C)c(NC(=O)COc2ccc3c(c2)nc(C)n3C)c(C)c1 408524997 FXVIVUHQMYVSNA-UHFFFAOYSA-N 337.423 3.824 0 50 EHAA CCCn1cc(N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cn1 186326298 IVOXTFNFACLRGV-GFCCVEGCSA-N 329.379 3.964 0 50 EHAA C[C@H](N)[C@H](C)C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 192061300 UGPSIFYLTHTCEX-IUCAKERBSA-N 343.374 3.751 0 50 EHAA COc1cccc(-c2nsc(NC(=O)c3ccoc3Cl)n2)c1 192305107 OIXODSRIXWZYRH-UHFFFAOYSA-N 335.772 3.712 0 50 EHAA CCC(F)(F)C(=O)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 209797830 XUXGLABHQBKAAK-SJORKVTESA-N 333.378 3.562 0 50 EHAA c1cc(-c2nccn2Cc2noc(C3CCC3)n2)c2ccncc2c1 1857705656 PMKIWIQYNYEALL-UHFFFAOYSA-N 331.379 3.797 0 50 EHAA O=C(N[C@@H]1CCCN(CC2CCCCC2)C1)c1ccc(F)c(F)c1 12707175 LETWKTZAWAAEJI-MRXNPFEDSA-N 336.426 3.739 0 50 EHAA C[C@@H](c1cccnc1)N(C(=O)c1ncccc1Br)C1CC1 252485704 HBWAVEQSHIADDY-NSHDSACASA-N 346.228 3.605 0 50 EHAA O=C(O)Cn1ncc2ccc(NC(=O)c3ccccc3C3CCC3)cc21 907788267 IVQNXHTUBMRISK-UHFFFAOYSA-N 349.390 3.641 0 50 EHAA Cc1nc2ccc(Br)cc2cc1OC[C@H]1C[N@]1CC1CC1 1875378570 GPGCEWYSJXBPRQ-QRWLVFNGSA-N 347.256 3.779 0 50 EHAA Cc1cc(C)cc(OCC(=O)NCc2cc(C)nc3ccccc23)c1 4623131 VYULQKAJYXBVTG-UHFFFAOYSA-N 334.419 3.855 0 50 EHAA C[C@H](c1nnc(-c2ccccc2)s1)N1CCC(c2cnc[nH]2)CC1 2325793356 QSIDVWBXAVNZMW-CYBMUJFWSA-N 339.468 3.869 0 50 EHAA COc1ccc2ccnc([C@H](C)NC(=O)c3cccc4[nH]ncc34)c2c1 2325842939 NJPBVVRIFINAJP-LBPRGKRZSA-N 346.390 3.611 0 50 EHAA CC1(C)[C@@H](C(=O)Nc2nc3ccccc3s2)CC[C@@]1(C)C(=O)O 191662 MUKSDTCHANCPAN-QGHHPUGFSA-N 332.425 3.762 0 50 EHAA COc1ccccc1Nc1nc(-c2c(C)nc3ncccn23)cs1 4094797 XWCVQSXNWVAUBM-UHFFFAOYSA-N 337.408 3.913 0 50 EHAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccccc1 4858541 MMTCWPHIHVTXLQ-UHFFFAOYSA-N 335.407 3.716 0 50 EHAA aggregator CCN(C/C=C/c1ccccc1)C(=O)CCc1[nH]nc2c1CCCC2 55100073 PUYPMCQPSMUANB-DHZHZOJOSA-N 337.467 3.783 0 50 EHAA Cc1ccc(C(=O)COC(=O)c2cc(F)c(O)c(Cl)c2)cc1C 225664505 HKPBNYPTQNXXNI-UHFFFAOYSA-N 336.746 3.841 0 50 EHAA COCCN(Cc1ccc(C)cc1)Cc1cccc(-n2cccn2)c1 55358218 IPUIEZFKXCRETG-UHFFFAOYSA-N 335.451 3.829 0 50 EHAA COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H](C)C(=O)[C@H]2C)cc1 55439861 RVYZVGKIODSCSZ-YKLJGAPNSA-N 339.435 3.931 0 50 EHAA Cc1nc(C(=O)N2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)cs1 20326352 ZUCFUSFTMABALG-OAHLLOKOSA-N 344.415 3.834 0 50 EHAA O=C(c1ncoc1-c1ccc(F)cc1)N1CC(c2ccccc2F)C1 462995777 WBZDYBSKYSLUPK-UHFFFAOYSA-N 340.329 3.859 0 50 EHAA C[C@@](O)(c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)n1cncn1 27428834 YULDTPKHZNKFEY-QZTJIDSGSA-N 327.815 3.623 0 50 EHAA in-vitro CCc1nc(C)c([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)[nH]1 65394079 QOMMBBKOHSMQKQ-ZACQAIPSSA-N 333.476 3.586 0 50 EHAA CC1=NO[C@H](c2nc(CCc3ccccc3)nn2-c2ccccc2)C1 65380905 VMJYZKPTSWXWDA-SFHVURJKSA-N 332.407 3.890 0 50 EHAA CC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 33322799 SEINGZSPWXHFKI-UHFFFAOYSA-N 337.448 3.639 0 50 EHAA Cc1nc(C(=O)N(C)Cc2csc(-c3cccs3)n2)c(C)o1 72438009 XGSLFFGRFHEERF-UHFFFAOYSA-N 333.438 3.749 0 50 EHAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77423669 UOBAUJJYNGWAKS-QGZVFWFLSA-N 346.434 3.800 0 50 EHAA CC[C@@H](NC(=O)C(=O)N(Cc1ccccc1)C(C)C)c1ccccc1 253411642 QOMKXFSSKWGATN-LJQANCHMSA-N 338.451 3.691 0 50 EHAA Cc1cc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)c(C)cn1 253417196 CRNYXVXPQUTRTI-IEBWSBKVSA-N 339.439 3.818 0 50 EHAA Cc1ccnc(Oc2ccc(NC(=O)N3CCCSCC3)cc2)n1 253425699 DNPZOEFJMQGOEP-UHFFFAOYSA-N 344.440 3.548 0 50 EHAA Cc1nc2ccccc2nc1CN1CCC[C@@H](OCc2cccnc2)C1 72158458 VCUQGJVJALGQNA-GOSISDBHSA-N 348.450 3.514 0 50 EHAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccnc3N)C2)cc1 77422721 IBMLJBQTCMIWDV-KRWDZBQOSA-N 347.466 3.742 0 50 EHAA C[C@H](O)C[C@@H]1CCCN1C(=O)Nc1nc2c(s1)CCCC2(C)C 331806285 WMVGICKTULLOBO-RYUDHWBXSA-N 337.489 3.524 0 50 EHAA COc1ccc(-c2nccn2C[C@@H](C)Oc2cccnc2)c(F)c1F 71524571 YBAYFSGSZPWPBG-GFCCVEGCSA-N 345.349 3.699 0 50 EHAA CC(=O)c1ccc(C(=O)NC2CCN(c3cccc(C)c3)CC2)s1 219773279 GXWQBQLGRPQBRH-UHFFFAOYSA-N 342.464 3.658 0 50 EHAA Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cc1F 332553474 LHJDGIYNOVATJT-LBPRGKRZSA-N 340.398 3.855 0 50 EHAA C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)c2cccnc2O1 158411216 VTUUXLWBQGLWGC-LBPRGKRZSA-N 338.338 3.908 0 50 EHAA CNc1nc(C(=O)N2CCC(CCc3ccccc3)CC2)cs1 77520839 QRFBJIIPXHRGBK-UHFFFAOYSA-N 329.469 3.670 0 50 EHAA O=C(Cc1cc(F)ccc1F)N[C@@H](c1ccccc1)c1nccs1 173068077 OXLTVABGGPBDOT-KRWDZBQOSA-N 344.386 3.870 0 50 EHAA Cc1nc([C@H](C)N(C)C(=O)CN(C)Cc2ccc(F)cc2)c(C)s1 222376944 CYSNVXNXCYSVLP-LBPRGKRZSA-N 349.475 3.550 0 50 EHAA O=C(c1cccc(-c2cccc(CO)c2)c1)N1CCC(F)(F)CC1 426428894 IRCWGEWNKRAWQP-UHFFFAOYSA-N 331.362 3.717 0 50 EHAA c1ccc(COc2ccccc2Cc2nc([C@H]3CCOC3)no2)cc1 96149012 NRHGGCHQYCPHDU-KRWDZBQOSA-N 336.391 3.743 0 50 EHAA CC(=O)NC1(c2noc(-c3ncsc3C(C)C)n2)CCCCC1 289660264 DNDHKJJWPWUUOV-UHFFFAOYSA-N 334.445 3.612 0 50 EHAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)C[C@H]2OC(=O)C(Cl)(Cl)Cl 239302620 FMKGPXSVDZSZAP-HFKOZYHYSA-N 343.634 3.569 0 50 EHAA CCN1CC2(CCC1=O)CCN(C(=O)Nc1cccc(Cl)c1)CC2 92028087 ROAAANGKVPMPEH-UHFFFAOYSA-N 349.862 3.596 0 50 EHAA CN(C(=O)Cc1cc(Cl)ccc1Br)c1cccnc1 178275772 SVOOGPDWDQSPDH-UHFFFAOYSA-N 339.620 3.703 0 50 EHAA CCc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cc1 95357532 JORZKPWMBPKYPP-RBBKRZOGSA-N 335.495 3.740 0 50 EHAA COc1cc(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)ccc1F 95507333 UDUTZVRXQIHGJI-HNNXBMFYSA-N 345.418 3.632 0 50 EHAA c1ccc(-c2nc(CN[C@H](c3nnc[nH]3)C3CCCCC3)co2)cc1 292115760 KNSXMYSCQYKLRI-KRWDZBQOSA-N 337.427 3.871 0 50 EHAA O=C(c1ccccc1)[C@H]1CCCN([C@H]2CCN(c3ccccc3)C2)C1 244811447 SCUUTEDYFUSFSY-FPOVZHCZSA-N 334.463 3.860 0 50 EHAA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(O)[C@@H](O)CO 257346051 POBOSGNSIHOBLX-ANETWUKTSA-N 336.516 3.504 0 50 EHAA CC[C@H]1CCCC[C@H]1OCC(=O)Nc1c(C)c(C(F)(F)F)nn1C 183946055 FIMDCYYDSGSYNS-NWDGAFQWSA-N 347.381 3.671 0 50 EHAA CN(C(=O)NCc1cccc(Cl)c1F)[C@@H]1CCOC(C)(C)C1 534645955 XEEXIRIHNOQXRI-GFCCVEGCSA-N 328.815 3.578 0 50 EHAA Cc1noc(C)c1CCCNC(=O)c1ccc([C@H]2CCCO2)s1 828166325 BCICDDNMNXAVRN-CQSZACIVSA-N 334.441 3.567 0 50 EHAA COCCc1nc([C@H]2CCCO2)n(-c2ccc(Cl)cc2Cl)n1 670456111 OZJGUXTVINKLOQ-CYBMUJFWSA-N 342.226 3.615 0 50 EHAA COc1ncc(CN2CCC(Sc3ccccc3C)CC2)cn1 952981015 JWFKZFNAYZQBPJ-UHFFFAOYSA-N 329.469 3.550 0 50 EHAA O=C([C@H]1C[C@@H]2C=C[C@H]1C2)N(CCc1ccccc1)Cc1cccnc1 952977269 JQCSTGBECXTRJD-GIVPXCGWSA-N 332.447 3.865 0 50 EHAA CCCc1nc(C(=O)Nc2cccc(CN3CCCC3)c2)cs1 952962830 GCISVQVLPFOMED-UHFFFAOYSA-N 329.469 3.944 0 50 EHAA CCCn1cc(CNc2cccc3c2OC(C)(C)C[C@H]3O)c(C)n1 1461795224 MGWXGIQEQUQCDW-QGZVFWFLSA-N 329.444 3.808 0 50 EHAA CC(C)NC(=O)CCCC(=O)OC1(c2ccccc2Cl)CCC1 170617235 QNMBOTIPXQDNBS-UHFFFAOYSA-N 337.847 3.957 0 50 EHAA COc1ccc2c(c1)[C@@H](N[C@H]1CCCn3nc(C)nc31)CCCS2 188227791 MHKJMHHNZMZYBE-HOTGVXAUSA-N 344.484 3.647 0 50 EHAA Cc1ncsc1CN(C)C[C@H]1CCN(CCc2ccccc2F)C1 190466284 IGVQMFFSFSTFNI-MRXNPFEDSA-N 347.503 3.587 0 50 EHAA Cc1ccnc(NC(=O)c2occc2CN2c3ccccc3C[C@H]2C)n1 194678076 CMJKULHRWGIWNJ-CQSZACIVSA-N 348.406 3.582 0 50 EHAA C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Br)cc1 462152 LZBGBELNWNXASJ-JTQLQIEISA-N 338.176 3.994 0 50 EHAA CCCN1CCN(C(=S)Nc2cccc(Cl)c2Cl)CC1 5041253 QUZJEJRLKCDNQR-UHFFFAOYSA-N 332.300 3.718 0 50 EHAA CCOC(=O)c1cccc(NC(=S)NCc2ccc(C)cc2)c1 13497558 YMTPKUPBQIHZSD-UHFFFAOYSA-N 328.437 3.658 0 50 EHAA CC(C)CN1CCC[C@H](c2nnc(SCc3ccccc3)n2C)C1 14993493 VPCYTSWLRFLBDO-KRWDZBQOSA-N 344.528 3.943 0 50 EHAA FC(F)(F)c1cccc(N2CCN(C3Cc4ccccc4C3)CC2)c1 16663300 BPGUNFACFBHHLG-UHFFFAOYSA-N 346.396 3.995 0 50 EHAA Cc1ccc(C(=O)N[C@H](N2CCCC2)C(Cl)(Cl)Cl)cc1 19799179 GUYBVLYAQQGDQY-CYBMUJFWSA-N 335.662 3.517 0 50 EHAA CCCC[C@@H]1CN(c2noc(-c3ccccc3)n2)C[C@H](C2CC2)O1 1857715129 CQGALSXHUUWQCY-IAGOWNOFSA-N 327.428 3.911 0 50 EHAA CCCC[C@H](C)C(=O)Nc1nc(-c2cc(C(N)=O)oc2C)cs1 225734549 HMPTWYGXDQGMKR-VIFPVBQESA-N 335.429 3.575 0 50 EHAA CC(C)c1nnc(CNC(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)s1 241846649 SMPBOMGOYGTICB-HIFRSBDPSA-N 344.484 3.749 0 50 EHAA Cc1nc(C)c([C@@H](C)N(C)C(=O)CCc2c(C)noc2Cl)s1 264439782 PYIMWPRNBAOTIF-SNVBAGLBSA-N 341.864 3.862 0 50 EHAA CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccc(-c3cnco3)cc2)CCO1 827807392 IVNGTHQBKFXZNP-WMZOPIPTSA-N 342.439 3.799 0 50 EHAA Cc1occc1-c1cc(NC(=O)N[C@H](c2ccccn2)C2CC2)no1 931109226 FAMUUHQWASFRKC-KRWDZBQOSA-N 338.367 3.911 0 50 EHAA O=C(O)[C@H](c1ccc(F)cc1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 833172941 XSZZRLWGJMJNAH-OTWHNJEPSA-N 343.398 3.540 0 50 EHAA O=C(CCc1ccc(Cl)cc1Cl)NC[C@@H](O)CCC1CC1 1875361918 IEBRANLCZNMPSU-AWEZNQCLSA-N 330.255 3.593 0 50 EHAA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(C)cc2)NC(=O)N1 71311 RAVMBQFYZVIZGP-SFHVURJKSA-N 342.439 3.746 0 50 EHAA CCCOc1cccc(-c2nn(-c3ccccc3)cc2C(N)=S)c1 1857800711 JYDQDHGVLZZGON-UHFFFAOYSA-N 337.448 3.962 0 50 EHAA COc1ccc(Cl)c(F)c1NC(=O)[C@H](C)c1cncc(F)c1 2325850290 TUWWIYCLTHCZKX-MRVPVSSYSA-N 326.730 3.764 0 50 EHAA O=C(NCc1ccccc1)c1ccc(C(=O)NCc2ccccc2)cc1 54796 DDMQGXDKJKYCRL-UHFFFAOYSA-N 344.414 3.547 0 50 EHAA biogenic O=C(O)c1cccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1 75209 ASDYJRQOOWNXSU-UHFFFAOYSA-N 343.338 3.849 0 50 EHAA COC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)c(C)c1 142357 CTXAHYIVGIGCSM-UHFFFAOYSA-N 341.407 3.923 0 50 EHAA COc1cc(CNCc2cccnc2)ccc1OCc1ccccc1 359789 CFEUROWWZCUQDW-UHFFFAOYSA-N 334.419 3.959 0 50 EHAA O=C(CF)N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 369131 LRVVZRLQPBACRU-SECBINFHSA-N 334.005 3.534 0 50 EHAA O=Cc1ccccc1OCc1ccc(I)cc1 453432 YUTOPWBPDKBLBY-UHFFFAOYSA-N 338.144 3.683 0 50 EHAA O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 458856 ASZSYUNBUTXGDS-UHFFFAOYSA-N 326.755 3.745 0 50 EHAA Cc1ccc2c(c1)c1c(n2C[C@H](O)CNCc2ccco2)CCCC1 571512 MBTWEJUGMXHIQX-MRXNPFEDSA-N 338.451 3.572 0 50 EHAA Cn1c(Cc2cccs2)nnc1SCc1nc2ccccc2[nH]1 1058058 OTGIDOHOKJPIJA-UHFFFAOYSA-N 341.465 3.636 0 50 EHAA CCOc1ccc(C(=O)Nc2nnc(CC(C)C)s2)cc1OCC 2729725 JLFZQRFWPZQVOL-UHFFFAOYSA-N 349.456 3.786 0 50 EHAA COc1ccc(CNCCc2ccc3c(c2)OCO3)c2ccccc12 2739240 FQXPOPXAZDZLRB-UHFFFAOYSA-N 335.403 3.909 0 50 EHAA CCOc1ccc(C(C)C)cc1S(=O)(=O)NCc1ccccc1 2881894 LLAHHLKSCKVSRY-UHFFFAOYSA-N 333.453 3.687 0 50 EHAA Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1 3475038 CVMVQTVLUMJXQF-UHFFFAOYSA-N 331.422 3.837 0 50 EHAA Cc1c(CN2CCC[C@@H]3CCCC[C@@H]32)c(=O)n(-c2ccccc2)n1C 4022322 WMSDSHMGTFQZQA-PXNSSMCTSA-N 339.483 3.639 0 50 EHAA O=C(NCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCCC1 6729512 MOXZSXOUMIBZBR-UHFFFAOYSA-N 334.807 3.522 0 50 EHAA C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1 225508978 PJSAADSQEUTVMJ-KCPJHIHWSA-N 329.375 3.585 0 50 EHAA OCCOc1ccccc1-c1nccn1[C@H]1CCCc2ccccc21 67885943 MSYBHXBTZFWMGZ-IBGZPJMESA-N 334.419 3.847 0 50 EHAA Cc1nc(/C=C/c2ccc(-c3ccccc3)o2)nc(O)c1CC(=O)O 349105236 GNSWSJHSLMMEMF-CSKARUKUSA-N 336.347 3.548 0 50 EHAA CC[C@@H](C)Oc1ccc(CNCc2csc(N)n2)cc1Cl 63869598 DLXRXKFCIFRMPN-SNVBAGLBSA-N 325.865 3.846 0 50 EHAA Cc1cc([C@@H]2CCCN2CC(=O)N2CCC[C@H]2c2ccsc2)no1 252498258 YCLOZOSKXOUBFE-IRXDYDNUSA-N 345.468 3.545 0 50 EHAA O=C(O)c1ccc2nc(/C=C/c3cnn(CC(F)F)c3)sc2c1 431168644 QAEXZHVLGSMDOH-DAFODLJHSA-N 335.335 3.627 0 50 EHAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1c(C)oc2ccccc12 328634981 NABHBKLGCXEVDT-WMZOPIPTSA-N 325.412 3.577 0 50 EHAA Cc1ccccc1C1(C(=O)N2CCO[C@@H](c3ccsc3)C2)CC1 120997927 TZYWEZBWCNXBQK-QGZVFWFLSA-N 327.449 3.688 0 50 EHAA C[C@@H]1CCN(C(=O)Nc2ccccc2SCCC(N)=O)C[C@@H](C)C1 121337709 NHPFLZSZTXUSCL-KGLIPLIRSA-N 349.500 3.554 0 50 EHAA O[C@@]1(c2ccccc2)CCN(Cc2nccs2)[C@@H]2CCCC[C@@H]21 215408543 DRZUHKCRYOPEMH-YQVWRLOYSA-N 328.481 3.795 0 50 EHAA CC(C)Cn1cncc1CNc1cc(-c2ccccc2)nc2ccnn12 72167525 NMGOSCBFDKCENV-UHFFFAOYSA-N 346.438 3.861 0 50 EHAA CC(C)c1cc(N2CCC([C@H](C)N3CCCC3)CC2)n2nccc2n1 72143965 OLFHRBPOILMWGG-INIZCTEOSA-N 341.503 3.553 0 50 EHAA CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc(C)c(O)c(C)c2)C1 330877612 XPNBYKIRIXCQFW-WMZOPIPTSA-N 332.488 3.526 0 50 EHAA O=C(C1CCC1)N1CCC(CCCc2ccccc2)(C(=O)O)CC1 71748469 CMIWSZQPWSEPCC-UHFFFAOYSA-N 329.440 3.503 0 50 EHAA S=C(NCCc1ccccc1)NCc1cccc(Br)c1 13323932 DZXUPTVAHQNNOR-UHFFFAOYSA-N 349.297 3.656 0 50 EHAA CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N(C)[C@H](C)C1CCCCC1 375706486 UKSNJDKSHAZOHV-GDBMZVCRSA-N 347.507 3.847 0 50 EHAA CCN(C(=O)c1ccc(C(=O)O)cc1F)[C@H](C)Cc1ccsc1 263035680 REPPTFXHIOZAKV-LLVKDONJSA-N 335.400 3.679 0 50 EHAA C[C@H](Cc1ccccc1F)C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 242339406 ZHOXQPJZIOHRGK-OPNNQBFTSA-N 333.447 3.546 0 50 EHAA O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[C@@]2(CCOC2)C1 176276120 QALFRDXNNBIOTO-OAHLLOKOSA-N 346.761 3.586 0 50 EHAA Cc1cc(=O)c(C(=O)N(Cc2ccsc2)C2CCCC2)c(C)[nH]1 426597346 CYVBEEMGNQGHCE-UHFFFAOYSA-N 330.453 3.638 0 50 EHAA Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2cscc2C)o1 176804787 HXNJLSNSQAVRGP-INIZCTEOSA-N 339.420 3.688 0 50 EHAA CCN(C)C1(CNC(=O)Nc2ccc(F)cc2Cl)CCCC1 96138996 JPZIRKMPNOUIGG-UHFFFAOYSA-N 327.831 3.865 0 50 EHAA O=C(NCc1ccc2nsnc2c1)c1ccc([C@H]2CCCO2)s1 91643526 MWFPWMWKFNFWNX-CYBMUJFWSA-N 345.449 3.534 0 50 EHAA C[C@H](CNC(=O)N[C@H]1CC(C)(C)c2ccccc21)c1nccs1 184269397 KSDMUONUEKLXJJ-DOMZBBRYSA-N 329.469 3.968 0 50 EHAA CCCc1ccc(C(=O)N2CCCN(c3ncccc3F)CC2)cc1 364756554 RQKXSCYAHXSMKK-UHFFFAOYSA-N 341.430 3.526 0 50 EHAA CC[C@@H](C)N(Cc1ccncc1)C(=O)Nc1ccc2c(cnn2C)c1 299802820 QNXKVHHEOSMMCD-CQSZACIVSA-N 337.427 3.801 0 50 EHAA Cc1ccc([C@]2(C(=O)NCc3cncn3CC(C)C)CC2(C)C)cc1 299800487 SRCYXZWQXQYTEO-NRFANRHFSA-N 339.483 3.832 0 50 EHAA CCCc1cc(CNC(=O)[C@]2(c3ccc(OC)cc3)CC2(C)C)on1 299793081 JLNDYUCTZYALEW-HXUWFJFHSA-N 342.439 3.620 0 50 EHAA CCO[C@@H](CCNc1nnc(-c2ccccn2)s1)C1CCCC1 185748066 MWOLSOBQBMGQFW-HNNXBMFYSA-N 332.473 3.997 0 50 EHAA CC(C)(C)OC(=O)C1CCN(c2cncc(-c3ccccc3)n2)CC1 271970857 UJKDTKHKALZECN-UHFFFAOYSA-N 339.439 3.702 0 50 EHAA Cc1cc2nc(NCCCNC3CCCCC3)c3ccccc3n2n1 170607436 HUEYWWSUESWDER-UHFFFAOYSA-N 337.471 3.915 0 50 EHAA Cc1ccc(-n2nnnc2N2CCC[C@H](c3ccccc3)CC2)cc1 170620642 XKILCYNZRPRCQR-SFHVURJKSA-N 333.439 3.745 0 50 EHAA CC[C@H](C(=O)Nc1c[nH]nc1-c1ccccn1)c1ccc(OC)cc1 192538234 BMWYFQASJFSGNB-HNNXBMFYSA-N 336.395 3.613 0 50 EHAA Cc1ccc(C)c(OC2CCN(Cc3cc(C(=O)O)co3)CC2)c1 652400722 OOAQANFXTLYXAZ-UHFFFAOYSA-N 329.396 3.638 0 50 EHAA CC1(C)C(C(=O)N2CC[C@](C)(O)[C@H](Cc3ccccc3)C2)C1(C)C 213350518 XQSXFBVSSHXNAO-IERDGZPVSA-N 329.484 3.511 0 50 EHAA COc1cccc(OCCN(C)C[C@@H]2CCN(c3ccccc3)C2)c1 1529092716 XLIGTKUOWOIRJP-SFHVURJKSA-N 340.467 3.532 0 50 EHAA COc1nc(N[C@H]2CC3(CCCC3)Oc3ccccc32)ncc1F 1772712577 UWHSWIYSVOKJCQ-AWEZNQCLSA-N 329.375 3.873 0 50 EHAA CCSc1ccccc1NC(=O)c1nnn(-c2ccccc2)c1C 5033411 HJSFYELLYVYZGA-UHFFFAOYSA-N 338.436 3.940 0 50 EHAA COc1ccccc1OCc1cc(C(=O)NC2CCCCCC2)no1 11706327 DXCRFTMGXALUSE-UHFFFAOYSA-N 344.411 3.715 0 50 EHAA C[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 12383895 AOHZXZMDACCRMT-NSHDSACASA-N 327.808 3.660 0 50 EHAA CN(C(=O)c1cccc(NC(=O)c2ccncc2)c1)c1ccccc1 12406024 XJQMCNULIHTFLT-UHFFFAOYSA-N 331.375 3.611 0 50 EHAA C[C@@H](NC(=O)c1cn(C2CCCCC2)nn1)c1ccccc1Cl 12706157 WIMNWDGGTQZEHX-GFCCVEGCSA-N 332.835 3.928 0 50 EHAA CC(=O)NC1CCC(NCCc2cccc(Cl)c2Cl)CC1 408514184 IJGDNWAHMPWHRJ-UHFFFAOYSA-N 329.271 3.573 0 50 EHAA CC(C)c1occc1C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 331566161 GUSRQSHFESCIID-QGZVFWFLSA-N 340.423 3.671 0 50 EHAA O=C(Nc1ccc(Cl)cn1)N1CCC[C@@H](Nc2ccccc2)C1 131814544 ADQNMCNTCJHZDR-OAHLLOKOSA-N 330.819 3.843 0 50 EHAA COc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c(C)n1 252478889 AWUIDTGIFQWFPQ-LBPRGKRZSA-N 345.365 3.841 0 50 EHAA COc1ccc([C@@H]2CCCN2c2nnc(-c3ccccn3)s2)cc1 252536779 JOIOKUYSICESMF-INIZCTEOSA-N 338.436 3.950 0 50 EHAA Cc1c(NS(=O)(=O)c2cccc3ccncc23)noc1C(C)(C)C 903647757 OIQJHBRDYFXRCC-UHFFFAOYSA-N 345.424 3.630 0 50 EHAA O=C(C[C@@H]1CCNC[C@H]1F)N1CCc2cc(-c3ccccc3)ccc21 1875267313 PJUBBJJJCIKWJJ-PKOBYXMFSA-N 338.426 3.580 0 50 EHAA O=C1CSc2cc(C(=O)O[C@H]3c4ccccc4C[C@@H]3F)ccc2N1 1875341346 PRJABYYFTOPWKC-GUYCJALGSA-N 343.379 3.523 0 50 EHAA O=C(c1cc2cccnc2[nH]1)N1Cc2ccccc2OC2(CCC2)C1 899830475 VXDFHVOCENVDRO-UHFFFAOYSA-N 333.391 3.520 0 50 EHAA Clc1ccc([C@H](CNc2ncc3c(n2)COC3)OCC2CC2)cc1 2325767375 IPVZTGINMUAHKG-KRWDZBQOSA-N 345.830 3.740 0 50 EHAA Cc1ncc2c(n1)CC[C@@H](NCc1ccc(-c3ccsc3)nc1)C2 2325773883 RVAFTYRPEBXYCN-QGZVFWFLSA-N 336.464 3.556 0 50 EHAA COC(=O)c1n[nH]c2c1CN(C[C@H](C)c1ccc3ccccc3c1)CC2 2325858227 DUTSZLVTVAHAFG-AWEZNQCLSA-N 349.434 3.511 0 50 EHAA O=C(c1[nH]ccc1-c1ccccc1)N1CCCN[C@@H](c2ccccc2)C1 2325859621 DIKQJAMDAQJKBD-HXUWFJFHSA-N 345.446 3.859 0 50 EHAA O=C(Nc1ccccc1Cn1ccnc1)[C@H](F)c1ccc(F)cc1 2325879995 PEQKGJPRRMOJEZ-QGZVFWFLSA-N 327.334 3.720 0 50 EHAA COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1OC 301992 OPLJODOFDYSJGP-NSHDSACASA-N 335.787 3.763 0 50 EHAA Cc1ccc(C(=O)N2CCCCCC2)cc1I 358790 DNHQFGQZFQPCMA-UHFFFAOYSA-N 343.208 3.616 0 50 EHAA COc1ccc(N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1 364558 QTFLFCDVBGCWPA-GFCCVEGCSA-N 339.650 3.576 0 50 EHAA Cc1ccc(C)c(OCc2nnc(NC(=O)c3ccccc3)s2)c1 448150 KYZKINPPNXVBOG-UHFFFAOYSA-N 339.420 3.986 0 50 EHAA CC(C)N(C(=O)c1ccccc1I)C(C)C 464864 ONFBLRLLJOMREE-UHFFFAOYSA-N 331.197 3.550 0 50 EHAA S=C(NC[C@@H]1CCCO1)Nc1ccc(Oc2ccccc2)cc1 468582 HMNMMZPZLJVXAM-KRWDZBQOSA-N 328.437 3.944 0 50 EHAA Cc1ccc2c(c1)c1c(n2C[C@H](O)CNCc2ccccc2)CCCC1 571520 MQJVMBQJHBLUAH-LJQANCHMSA-N 348.490 3.979 0 50 EHAA S=c1[nH]ncn1NCc1cc(Cl)ccc1OCc1ccccc1 2835252 FZUZSRVPXYIJHR-UHFFFAOYSA-N 346.843 3.917 0 50 EHAA COc1cc(CNCc2ccccc2)cc(Br)c1OC 6701576 UWMWXEWMGUOECD-UHFFFAOYSA-N 336.229 3.756 0 50 EHAA CCOc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2Cl)cc1 6709813 IDCSKHJGUYDMHI-UHFFFAOYSA-N 342.786 3.572 0 50 EHAA CC[C@@H](O)c1nc2ccccc2n1CCOc1ccccc1OC 6745856 LYLCQBOCKYTTFQ-MRXNPFEDSA-N 326.396 3.567 0 50 EHAA CCCCOCC(=O)Nc1c(C)cnn1Cc1cccc(Cl)c1 55270255 YGEGTMHODIMGAZ-UHFFFAOYSA-N 335.835 3.648 0 50 EHAA COc1c(F)ccc(CN(Cc2c(C)nn(C)c2C)C(C)C)c1F 55252228 CUJAAHYTAZSDOX-UHFFFAOYSA-N 337.414 3.734 0 50 EHAA CC[C@H](C(=O)N(Cc1ccccc1)Cc1nccs1)n1cccn1 55252402 PGEKXHDSXBHIFF-MRXNPFEDSA-N 340.452 3.520 0 50 EHAA Cc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1Cl 20402371 LZSQYNOSIDGMFQ-QGZVFWFLSA-N 342.826 3.892 0 50 EHAA CCN(CC)CCN(CC)Cc1ccc(F)c(Br)c1 22027713 GCCWTCTUEHDEEM-UHFFFAOYSA-N 331.273 3.752 0 50 EHAA CC(C)[C@@H](NC(=O)c1cccc(Cl)c1)c1nnc2ccccn12 20739194 IIBZFELNFFTANG-OAHLLOKOSA-N 328.803 3.510 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)cc2)cc1 20398438 FEOLYASYLDNZOQ-QGZVFWFLSA-N 342.826 3.892 0 50 EHAA CCc1ccccc1-c1c(-c2ccccc2)ncn1[C@@H](C)c1nnn[nH]1 67714584 RYCJDDLDIBJQCL-AWEZNQCLSA-N 344.422 3.902 0 50 EHAA COC(=O)c1cnn2c(C(F)F)cc(-c3ccc(Cl)cc3)nc12 2780919 XWPBATYQKPLJNY-UHFFFAOYSA-N 337.713 3.774 0 50 EHAA Cc1ccccc1Cn1nc(C)c(NC(=S)N2CCCC2)c1C 2802989 BVNWUWDRCVYOAQ-UHFFFAOYSA-N 328.485 3.649 0 50 EHAA COCCOc1ccc(NC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cn1 252680188 XGEXOVUCUXMXIK-OWCLPIDISA-N 347.459 3.587 0 50 EHAA CC(=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 36372010 WOUWWZYKGYDVMI-GCNHBNHWSA-N 332.484 3.774 0 50 EHAA COc1ccc(CN2CCC(c3nc(C(C)C)no3)CC2)c(F)c1 215318365 IUGACMZDIVNZKO-UHFFFAOYSA-N 333.407 3.720 0 50 EHAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CCCc2[nH]ncc21 153196864 DSUUFOUZEPRBLO-QWHCGFSZSA-N 346.500 3.938 0 50 EHAA C[C@@H](NC1CCN(CC(F)F)CC1)c1ccc(-c2cncnc2)cc1 155062103 ICJPVIRUIAKCDF-CQSZACIVSA-N 346.425 3.524 0 50 EHAA Cc1ccc2c(C)c(C(=O)N(C)CCCc3nccn3C)oc2c1C 77505566 HMERZCMCKSTKLY-UHFFFAOYSA-N 339.439 3.796 0 50 EHAA CO[C@H](CNC(=O)c1noc2c1CCCCC2)c1ccccc1Cl 156254613 XDBASMGITGXNCJ-MRXNPFEDSA-N 348.830 3.714 0 50 EHAA CC(=O)N1CCC[C@H](CN[C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)C1 449295182 QJEVDNQBVGVYIK-HBFSDRIKSA-N 348.918 3.899 0 50 EHAA C[S@](=O)Cc1ccccc1NC(=O)c1ccc(OC(C)(C)C)cc1 131406823 WGOPWMWBYWCFHO-XMMPIXPASA-N 345.464 3.995 0 50 EHAA COc1cc(C)c(NC(=O)Nc2cccc(CCC(=O)O)c2)cc1C 263063639 OVNLEQRUEPEUGC-UHFFFAOYSA-N 342.395 3.973 0 50 EHAA Cc1[nH]ccc1C(=O)NCCc1nc(-c2ccccc2)c(C)s1 176168617 CMMKEPNHNIPDMG-UHFFFAOYSA-N 325.437 3.728 0 50 EHAA Cc1cc2c(cc1C)[C@H](C(=O)Nc1cc(C(=O)O)c(C)cc1C)CO2 263547892 UWDKGTRSFXENJQ-MRXNPFEDSA-N 339.391 3.733 0 50 EHAA CC(C)(C)OC(=O)N1CCC(Cc2nc(-c3ccccc3)no2)CC1 98212717 ASSYEGFSJLAAAP-UHFFFAOYSA-N 343.427 3.926 0 50 EHAA CCn1ccnc1[C@H]1CCCN(CCCC(=O)c2ccc(F)cc2)C1 92028259 QLFBVALRFONFPB-KRWDZBQOSA-N 343.446 3.885 0 50 EHAA COc1ccccc1[C@@H](NCc1cnn2ccccc12)c1ccco1 178870806 PAIWNUVNNODLIJ-HXUWFJFHSA-N 333.391 3.815 0 50 EHAA Cc1ccoc1CNc1ncc(C(=O)N2CCCCC2)cc1Cl 291684937 FMXOFHZORUZKPR-UHFFFAOYSA-N 333.819 3.875 0 50 EHAA CSc1cccc(CN(C)C(=O)c2ccc(CN3CCCC3)o2)c1 97805486 CGQYLLOVJURRNZ-UHFFFAOYSA-N 344.480 3.870 0 50 EHAA COc1ccc(-c2n[nH]cc2CN(Cc2cccnc2)C2CC2)cc1 97819581 CFFSPOHYEDGDHS-UHFFFAOYSA-N 334.423 3.645 0 50 EHAA Cc1ccccc1N1CCC(N[C@H](Cn2ccnc2)C(C)(C)C)CC1 825236164 DKXWIMXDKUJBKK-HXUWFJFHSA-N 340.515 3.865 0 50 EHAA FC(F)(F)Cn1nc(-c2c[nH]c3ccccc23)nc1[C@@H]1CCCO1 670447246 OLTMPMMCXAVXSE-ZDUSSCGKSA-N 336.317 3.840 0 50 EHAA Brc1ccc(I)c2ncccc12 65337150 IKQMGUTXYQVVMG-UHFFFAOYSA-N 333.954 3.602 0 50 EHAA in-vitro Cc1csc2c(NC3CCC(O)(c4cccnc4)CC3)ncnc12 192776829 KAPSQFHYKIEWIM-UHFFFAOYSA-N 340.452 3.637 0 50 EHAA FC(F)(F)[C@@H](NC1CCN(Cc2ccco2)CC1)c1ccccn1 1506397139 ZKEDWTSCTZAQOR-INIZCTEOSA-N 339.361 3.532 0 50 EHAA CCCNc1ccccc1C(=O)N1CCC[C@H](C(=O)CC(C)C)C1 1506418899 UPDRNKZXKBCCIW-INIZCTEOSA-N 330.472 3.976 0 50 EHAA C[C@@H](CC1CC1)NC(=O)N1CCC(c2nc3ccccc3o2)CC1 112751956 MBEJFYWRQVQYDQ-ZDUSSCGKSA-N 327.428 3.905 0 50 EHAA Cc1ccc(C2(NC(=O)CCc3ccccc3C(=O)O)CCC2)cc1 649265696 NGQDCEIGTPMXKE-UHFFFAOYSA-N 337.419 3.821 0 50 EHAA COc1ccc(CSCc2noc(-c3ccc(Cl)cc3)n2)nn1 242273624 YEMOISISCUVEEY-UHFFFAOYSA-N 348.815 3.622 0 50 EHAA CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ccc2c(O)ncnc2c1 901092718 YDFRFPOBAMVGMT-LJQANCHMSA-N 347.418 3.731 0 50 EHAA O=C(O[C@@H](c1ccccc1)C(F)F)[C@@H]1CC(c2cccc(F)c2)=NO1 813974831 VNQOFLKFNNCRCD-HOTGVXAUSA-N 349.308 3.868 0 50 EHAA C[C@@H](c1ccc2c(c1)CCC2)S(=O)(=O)Cc1cccc(Cl)n1 840937454 JYWLRYZJLKZWSY-LBPRGKRZSA-N 335.856 3.900 0 50 EHAA CCc1nc2c(s1)[C@H](N(C)Cc1ccccc1CC(=O)O)CCC2 846254254 OSUNOXYLPRLRPU-MRXNPFEDSA-N 344.480 3.842 0 50 EHAA O=C(N[C@@H]1CCC[C@@H](C(=O)O)CC1)c1csc(C(F)(F)F)c1 1875287639 SONRUVIHZLKGQH-PSASIEDQSA-N 335.347 3.530 0 50 EHAA CO[C@@H](C)c1nc(CN[C@@H](C)C2=Cc3ccccc3OC2)cs1 1875285277 ITPHATLEZHJTQE-STQMWFEESA-N 330.453 3.805 0 50 EHAA O=C(c1cc(-c2ccccc2Cl)on1)N1CCOC[C@H]1CC1CC1 886460299 LTCKTHZFSHUDIX-CYBMUJFWSA-N 346.814 3.636 0 50 EHAA CCOC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccc(C)cc1 3627281 JMUDOPNJLMACFX-SFHVURJKSA-N 325.408 3.728 0 50 EHAA Cc1cccc(-c2nc(CN3[C@H]4CC[C@@H]3C[C@@H](CO)C4)c(C)o2)c1 2100547881 QIMFTEFZZPRPGV-XGWQRUHWSA-N 326.440 3.694 0 50 EHAA CCC(=O)N(c1nnc(SCc2ccc(F)cc2)s1)C1CC1 2325717136 BNVYMBNZHADONN-UHFFFAOYSA-N 337.445 3.875 0 50 EHAA N[C@@H]1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)c2ccccc21 2325855573 GPMBIQOKQCOLIZ-OAHLLOKOSA-N 337.810 3.939 0 50 EHAA CN1CCN(c2ncc(-c3ccccc3)cn2)[C@H](Cc2ccccc2)C1 2325859839 MNKDBWFOZUGVJZ-OAQYLSRUSA-N 344.462 3.507 0 50 EHAA CCN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 134972 JSUPWIQBQWZEHY-NRFANRHFSA-N 337.419 3.637 0 50 EHAA COc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1C 236071 ODRMVWDIMUNAAG-UHFFFAOYSA-N 330.859 3.979 0 50 EHAA Cc1ccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1 342101 MWIGSSZKZMOBCZ-UHFFFAOYSA-N 328.437 3.909 0 50 EHAA COc1ccc([C@@H](C)NC(=O)Cc2ccc(Br)cc2)cc1 476568 OQRQYVPXGWFUTF-GFCCVEGCSA-N 348.240 3.878 0 50 EHAA O=C(CSCc1c(Cl)cccc1Cl)NC[C@@H]1CCCO1 479706 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COc1cccc(OCc2nc(C(=O)N3[C@@H](C)CCC[C@H]3C)co2)c1 11879886 GDMSFNPGZMDZRN-OKILXGFUSA-N 344.411 3.665 0 50 EHAA CC(C)=CC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 11953099 WVOLGQCZENDEOB-HXUWFJFHSA-N 330.447 3.606 0 50 EHAA O=C(N[C@@H]1CCCN(CCc2ccccc2)C1)c1ccc2[nH]ccc2c1 12072604 SEMHWYOFXORJOG-HXUWFJFHSA-N 347.462 3.605 0 50 EHAA CN(Cc1ccncc1)CC1CCN(CCc2ccccc2F)CC1 12436026 JEVNBGYTJYJECJ-UHFFFAOYSA-N 341.474 3.607 0 50 EHAA COc1cccc([C@H](C)N(C)Cc2nc(-c3cccs3)no2)c1 12582424 IEKUPYYGMOPRGP-LBPRGKRZSA-N 329.425 4.000 0 50 EHAA CCc1ccccc1NC(=O)c1nnn(-c2ccccc2)c1C1CC1 16651871 JZCQVEUZZHFBOR-UHFFFAOYSA-N 332.407 3.959 0 50 EHAA OCC[C@H]1CN(C2CCCCCCC2)CCN1Cc1ccccc1 19741773 HPENFZOLAKXISO-NRFANRHFSA-N 330.516 3.668 0 50 EHAA O=C(CCc1ccc2ccccc2c1O)N1CC[C@@H](COC(F)F)C1 451709628 OWMFKKFNMVWGEV-CYBMUJFWSA-N 349.377 3.566 0 50 EHAA Cc1nc(-c2cccc(C(=O)O[C@H]3CCN4CCC[C@@H]4C3)c2)cs1 252502976 UWDUJTYKGHHOSE-SJORKVTESA-N 342.464 3.902 0 50 EHAA Cc1occc1C(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F 358275377 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229562684 INSZUGQZZQQQHM-HOTGVXAUSA-N 332.492 3.596 0 50 EHAA COC(=O)N1CCC[C@H](C(=O)N2[C@H](c3ccccc3)CCC[C@H]2C)C1 242339304 ZGRLBUCIKHGDQA-NJAFHUGGSA-N 344.455 3.607 0 50 EHAA COCc1ccc([C@@H]2CCCN2C(=O)c2cccc3oc(C)nc23)o1 253421618 YZHOEGINBIWHMN-HNNXBMFYSA-N 340.379 3.853 0 50 EHAA CC(=O)N1CC[C@H](Nc2nnc(C(C)C)s2)c2ccc(F)cc2C1 253429550 SZDMNHCFZUXDHD-HNNXBMFYSA-N 348.447 3.706 0 50 EHAA Cn1cc(NC(=O)N2CCC(C)(c3ccc(Cl)cc3)CC2)cn1 280173224 XSHNXAJVNWAJHJ-UHFFFAOYSA-N 332.835 3.659 0 50 EHAA O=C(NCC1CC(c2ccccc2)C1)Nc1nc2c(s1)COCC2 282751389 BKLXDRWIAVUWPD-UHFFFAOYSA-N 343.452 3.531 0 50 EHAA O=C(O)C[C@@H]1CCCN(Cc2cc(Br)ccc2F)CC1 299744638 PNYRSNCWVPMKCJ-LLVKDONJSA-N 344.224 3.665 0 50 EHAA Cc1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)no1 299774420 HPPGNIZBYJGSLL-UAGQMJEPSA-N 336.395 3.726 0 50 EHAA COCc1ccc([C@H]2CCCN2Cc2ccc(-c3cc[nH]n3)o2)o1 328587658 DVDYPRXMUPAIAD-MRXNPFEDSA-N 327.384 3.746 0 50 EHAA O=C(NC[C@@H]1CCn2ccnc2C1)N(c1ccccc1)c1ccccc1 364563175 HCZWVGHAHIYTSV-QGZVFWFLSA-N 346.434 3.993 0 50 EHAA Cc1nn(-c2ccccc2)c2ncc(NC(=O)[C@H]3C[C@@H]3C(F)F)cc12 890664663 SJWPTNUJVKGSRK-GJZGRUSLSA-N 342.349 3.569 0 50 EHAA O=C(Nc1ccc([C@@H](O)c2cccs2)cc1)c1ccncc1F 952988703 PPDWYVQCXMBBHU-MRXNPFEDSA-N 328.368 3.616 0 50 EHAA CCNC(=O)c1cccc(-c2ccc(O)c(OC(F)(F)F)c2)c1 1772710368 QEORIHGIDQUXMQ-UHFFFAOYSA-N 325.286 3.708 0 50 EHAA C[C@@H]1CN(Cc2ccc(F)cc2Cl)CCN1c1ccc(F)cn1 1857667428 VEZHHMAZXBSJDO-GFCCVEGCSA-N 337.801 3.724 0 50 EHAA CC(C)(C)[C@H]1CN(CCCn2ccnc2)C[C@@H](c2ccccc2)O1 1857716976 KHNGHUKZJVUHGE-RBUKOAKNSA-N 327.472 3.761 0 50 EHAA CCCC[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)C[C@H](C2CC2)O1 1875246993 IPOJHJGCXPCRNJ-DNVCBOLYSA-N 329.444 3.839 0 50 EHAA Cc1cccc([C@@H](CN)C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1 1875317490 ZJWXGNSBTZDJSU-BOZGQFBRSA-N 334.463 3.742 0 50 EHAA CC(C)n1cc2c(n1)C[C@H](NCc1cncc(-c3cccnc3)c1)CC2 2325774015 RUYIYMQPECGXSP-HXUWFJFHSA-N 347.466 3.568 0 50 EHAA Cc1ccc2c(c1)c(CCN[C@H](C)c1cnc(Cl)n1C)cn2C 2325790501 QSCJFSMZYCJIMN-CYBMUJFWSA-N 330.863 3.767 0 50 EHAA CCC[C@@H](N[C@@H]1CNCCOC1)c1ccc(Oc2ccccc2)cc1 2325822423 WUOMMMIXEMENGD-WIYYLYMNSA-N 340.467 3.898 0 50 EHAA Nc1ccccc1S[C@H]1CC(=O)N(c2cccc3ccccc23)C1=O 97007 XVYMUAJOBRYQFJ-SFHVURJKSA-N 348.427 3.846 0 50 EHAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2Cl)N1 188042 JNLXAXOXLWSEML-HOTGVXAUSA-N 326.783 3.510 0 50 EHAA biogenic Cc1cc(C)cc(OCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 314127 IKTQUUWLFQBUCT-UHFFFAOYSA-N 340.423 3.915 0 50 EHAA CC(C)OC(=O)c1ccc(COC(=O)c2cc(Cl)ccc2O)cc1 618081 TVZDPMZTZRDNDV-UHFFFAOYSA-N 348.782 3.968 0 50 EHAA CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)NC(=O)N1 1190145 PZMITUAWCYEHLB-MRXNPFEDSA-N 341.798 3.607 0 50 EHAA CC(=O)Nc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 6701491 DQRWRESCHURAHY-UHFFFAOYSA-N 340.404 3.599 0 50 EHAA C[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 372169 HSEOGIPENOJBJD-ZDUSSCGKSA-N 343.814 3.539 0 50 EHAA Cc1c(-c2ccc(Cl)cc2)nnn1Cc1nnc(C(C)C)s1 418994189 BIRRBAUCRSVYJU-UHFFFAOYSA-N 333.848 3.930 0 50 EHAA O=C(Nc1ccc(Cl)cc1)N1CCN(Cc2ccc(F)cc2)CC1 20457794 GAHMEXRSUCJKFM-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA O=C(c1ccc[nH]1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67880911 VMXDTCUVHACRMS-CQSZACIVSA-N 338.386 3.564 0 50 EHAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[C@@H](N)C1 67965489 VBDRXWJOFXZGOR-QGZVFWFLSA-N 349.434 3.975 0 50 EHAA COc1ccc(Cl)c(CN[C@@H](C)c2ccc3c(c2)NC(=O)CO3)c1 252498724 RJOIKSZTHMISLA-NSHDSACASA-N 346.814 3.530 0 50 EHAA C[C@@H](NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)c1ccccc1 374429 RQRGDURNRVTAQM-LLVKDONJSA-N 337.345 3.657 0 50 EHAA C1=C(c2ccccc2)CCN(Cc2cnc(-c3ccccn3)nc2)C1 215208026 UKESVGRJDATLSF-UHFFFAOYSA-N 328.419 3.828 0 50 EHAA Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)cc1 2789835 YLBWUKQBYGBGJF-MRXNPFEDSA-N 340.448 3.825 0 50 EHAA CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1 3874580 IQADUMSPOQKAAO-UHFFFAOYSA-N 335.488 3.646 0 50 EHAA biogenic,world Cc1cc(C(=O)N(CC(F)(F)F)C2CCC2)nn1[C@H](C)C1CC1 253419829 JUIKQXHZQAIMQE-LLVKDONJSA-N 329.366 3.720 0 50 EHAA COc1ccccc1[C@@H]1CCN(Cc2cc3ccccc3nc2O)C1 157971651 UREFOOBEQNXEKY-MRXNPFEDSA-N 334.419 3.939 0 50 EHAA CCN(CC)CCCN(C(C)=O)c1ccnc2cc(Cl)ccc12 71767224 DWLSLCMBZUAFSV-UHFFFAOYSA-N 333.863 3.973 0 50 EHAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2ccsc2)C1 77377961 CZDOBSBOVVFTMV-SFHVURJKSA-N 341.476 3.731 0 50 EHAA OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2cccnc2)CC1 72165665 CAWNIARFYWORJV-UHFFFAOYSA-N 336.357 3.584 0 50 EHAA Cc1cc(=O)[nH]c2cc(-n3ccnc3-c3cc(C(C)(C)C)[nH]n3)ccc12 72475733 JWQBDABXZXJMLH-UHFFFAOYSA-N 347.422 3.710 0 50 EHAA O=C(CSc1ccccn1)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 223565479 PJVCWSWESDBGNG-RDJZCZTQSA-N 344.455 3.840 0 50 EHAA CC(C)c1ncc(CN2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)cn1 95372888 KZRHKKCEHHDTEH-GOSISDBHSA-N 339.439 3.678 0 50 EHAA O=C(NC[C@H]1CCCN2CCCC[C@@H]12)c1cc2c(Cl)cccc2[nH]1 230209918 ZIAOWARRTKNEFG-ACJLOTCBSA-N 345.874 3.816 0 50 EHAA biogenic COc1ccc2c(c1)CCN(C[C@H]1CCCN1Cc1ccccc1)C2 244701063 JZMHVZUFPOQPFF-OAQYLSRUSA-N 336.479 3.718 0 50 EHAA Cc1nn(-c2ccccc2)cc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C 181239537 ICQVEROZFGUBOO-YJYMSZOUSA-N 333.391 3.684 0 50 EHAA COc1ccc(-c2ccnc3nc(C4CCCCC4)nn23)cc1OC 253403232 GZESSEPZYAIIDK-UHFFFAOYSA-N 338.411 3.856 0 50 EHAA CC(C)Nc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cn1 267836166 LYPIDRQMFHIABL-UHFFFAOYSA-N 334.423 3.582 0 50 EHAA Cc1cccnc1C[C@H](C)NC(=O)CCSCc1ccccc1 299780893 CQYAQYUIMDQZMZ-INIZCTEOSA-N 328.481 3.761 0 50 EHAA C[C@H](C(=O)N1CCC[C@H](c2cccnc2)C1)c1ccc(F)cc1F 1350443283 IUXDNAPDANBGFL-ZFWWWQNUSA-N 330.378 3.870 0 50 EHAA COc1cc(-c2onc(N(C)CC3CCCC3)c2C(=O)O)ccc1F 1704333685 DFDJMPXGBRLUEU-UHFFFAOYSA-N 348.374 3.814 0 50 EHAA O=C(N1CCC(C2(O)CC2)CC1)C1(c2ccc(Cl)cc2)CCC1 1772808446 QKHGLBDPTOUEFU-UHFFFAOYSA-N 333.859 3.525 0 50 EHAA Cc1cccnc1-c1ccc2c(c1)C[C@H](CNC(=O)c1ccccc1)O2 11971027 PIQIJLIOWOSMLO-LJQANCHMSA-N 344.414 3.791 0 50 EHAA O=C(c1cccnc1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 14980836 OSMDKQSSPVCODV-OAHLLOKOSA-N 330.378 3.845 0 50 EHAA CCOC(=O)C1CCN(c2cc(C)c3cc(Cl)ccc3n2)CC1 16667730 WQOHBWXGRWEJFD-UHFFFAOYSA-N 332.831 3.976 0 50 EHAA Cc1ccccc1CN1CCN(C(=O)c2cccc(Cl)c2)CC1 19237221 LFXXHMAJFHWLHF-UHFFFAOYSA-N 328.843 3.606 0 50 EHAA Clc1ccc(-n2cc(CN3CCC[C@H](N4CCCC4)C3)cn2)cc1 19836468 OJFPIJHFRKHJGI-IBGZPJMESA-N 344.890 3.586 0 50 EHAA CCOc1c(Cl)cc(CN[C@H](C)[C@H](O)c2ccccc2)cc1OC 19871847 XSOXWLLLSNOJGJ-ACJLOTCBSA-N 349.858 3.959 0 50 EHAA FC(F)(F)c1cccc(CN2CCc3[nH]nc(C4CC4)c3CC2)c1 1857697674 IABUHKVGQTWUES-UHFFFAOYSA-N 335.373 3.907 0 50 EHAA Cc1ccc2cc(Cl)cc(C(=O)N3CCCC[C@@H]3CC(=O)O)c2n1 649247984 TVFJVDWMUAYZTL-CQSZACIVSA-N 346.814 3.666 0 50 EHAA CSCC[C@@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)n1cccc1 334161426 ZJUWQOQGGKBHBA-CJNGLKHVSA-N 342.468 3.536 0 50 EHAA CCn1cccc(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1=O 841731080 XMXXJMMCCMPAAQ-OAHLLOKOSA-N 331.803 3.501 0 50 EHAA CC1(C)CN(C(=O)C2CC2)[C@@H]1c1nccn1COCC[Si](C)(C)C 1304112313 FPQYHWUVYYVKDE-OAHLLOKOSA-N 349.551 3.515 0 50 EHAA Cc1nc(C(=O)N(Cc2ccccc2)CC2CCC2)ccc1C(=O)O 263299366 CWMNKJRYUXZBJU-UHFFFAOYSA-N 338.407 3.531 0 50 EHAA CCOc1cc(C)c(S(=O)(=O)Nc2ccccn2)cc1C(C)C 4411685 YJAIUKZRFNRUTI-UHFFFAOYSA-N 334.441 3.713 0 50 EHAA O=C(O)C[C@@H](NC(=O)CSc1ccccc1)c1ccc(Cl)cc1 4653313 BQQIBIFZONRWLM-OAHLLOKOSA-N 349.839 3.764 0 50 EHAA O=C1C[C@H](c2ccco2)Cc2nc(NCc3ccc(F)cc3)ncc21 4721948 JXQYYKJSIYFZQU-CYBMUJFWSA-N 337.354 3.734 0 50 EHAA O=C(Cc1cccc(Cl)c1F)N1CC2(CCC2)c2ccncc21 2325803958 MEKCCJUZDAPDEW-UHFFFAOYSA-N 330.790 3.885 0 50 EHAA NCc1cccc(-c2ccc(C(=O)Nc3cnn4c3CCCC4)cc2)c1 2325858343 JONMGEPDXADANU-UHFFFAOYSA-N 346.434 3.597 0 50 EHAA CO[C@H](CNC(=O)N[C@H]1CCc2ccc(F)cc21)c1ccc(C)cc1 2325879462 WGYWIAKNRZFXSX-RBUKOAKNSA-N 342.414 3.808 0 50 EHAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C)C1 172476 GICSWVIMMBONJL-ZDUSSCGKSA-N 325.474 3.548 0 50 EHAA C[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 382511 NURPASYGVRKHGU-SECBINFHSA-N 346.271 3.550 0 50 EHAA CCOc1ccc(OCc2ccc(C(=O)Nc3cccnc3)o2)cc1 468337 MUJJOVYQYSVVTE-UHFFFAOYSA-N 338.363 3.905 0 50 EHAA Cc1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 2970083 WCTSQOPCJCFYRH-UHFFFAOYSA-N 338.176 3.914 0 50 EHAA COc1cc(NC(=O)C[C@H](C)c2ccccc2)cc(OC)c1OC 4814526 XGOMQQQORDHNIO-ZDUSSCGKSA-N 329.396 3.845 0 50 EHAA O=C(Nc1ccc(Cl)cc1N1CCOCC1)c1ccc(F)cc1 4858475 DARPODLRLPLSIF-UHFFFAOYSA-N 334.778 3.568 0 50 EHAA CCC[C@@H](C)NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 9063711 MWOLWPHLCUJFRZ-CYBMUJFWSA-N 340.870 3.996 0 50 EHAA COc1cc(-c2nc(CN(C)[C@H](C)c3ccon3)c(C)o2)ccc1F 12577075 JEVGTKBIMYHEHC-LLVKDONJSA-N 345.374 3.979 0 50 EHAA COc1ccc(/N=c2/ncc3c([nH]2)C[C@H](c2ccccc2)CC3=O)cc1 18207242 VIIHGHFHDNAICO-HNNXBMFYSA-N 345.402 3.563 0 50 EHAA O=C(Nc1cccc(F)c1)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 20277263 AHFOBMYUINMOLQ-INIZCTEOSA-N 346.789 3.722 0 50 EHAA Cc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 20357440 TTWPAJSKHPHSRX-UHFFFAOYSA-N 328.843 3.606 0 50 EHAA CCOc1c(Cl)cc(Cl)cc1CNCCCn1ccnc1 39279942 IKXRYRDZRMVKTC-UHFFFAOYSA-N 328.243 3.769 0 50 EHAA Cc1noc2ccc(-c3c(-c4ccccc4)ncn3[C@H](C)C(N)=O)cc12 65459704 ISUUVWZBYDXGNX-CYBMUJFWSA-N 346.390 3.713 0 50 EHAA O=C(CCc1ccc(O)cc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71767867 BFSJNDSWEVIRAT-GOSISDBHSA-N 345.826 3.578 0 50 EHAA FC(F)c1ccc(Br)c(I)c1 71793125 IKWVZHWJWGKEFJ-UHFFFAOYSA-N 332.913 3.991 0 50 EHAA Cc1cc(=O)c(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)c[nH]1 72480942 OWJIORBGZNSAIK-UHFFFAOYSA-N 348.402 3.748 0 50 EHAA COc1cccc(-c2nccn2[C@@H]2COC3(CCCC3)C2)c1OC 82170818 USERIKQCFPFWGD-AWEZNQCLSA-N 328.412 3.842 0 50 EHAA COc1cccc(C)c1C(=O)N1CCC(c2nccn2C(C)C)CC1 91725458 MPUZXGOUJNCHAX-UHFFFAOYSA-N 341.455 3.801 0 50 EHAA CCn1nc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)cc1C 91745332 UIKUZYVZUBKHNV-KRWDZBQOSA-N 341.455 3.545 0 50 EHAA O=C(c1ccc2nc(-c3ccc(F)cc3)cn2c1)N1CCC(F)CC1 95353954 FARXVQAJQNYXLS-UHFFFAOYSA-N 341.361 3.715 0 50 EHAA CC(=O)c1ccc(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)cc1 95362539 WLPNLTFRCSWEJY-SFHVURJKSA-N 339.439 3.686 0 50 EHAA Cc1nccc(C2CCN(C(=O)Nc3ccc(Cl)c(F)c3)CC2)n1 96153925 FCPNZDGNIZULBI-UHFFFAOYSA-N 348.809 3.989 0 50 EHAA CCc1cc(CC)c(NC(=O)NCc2noc(C3CC3)n2)c(CC)c1 97785379 NVVADJPDOZXOSM-UHFFFAOYSA-N 342.443 3.956 0 50 EHAA C[C@@H](C[C@@H]1C[C@@H](C)OC1=O)C(=O)Nc1ccc(Cl)cc1Cl 101054711 LBCZDKHOYGQIOO-IVZWLZJFSA-N 330.211 3.910 0 50 EHAA CC(C)[C@@H](NCc1cccc(OCc2ccccc2F)c1)C(=O)O 113402828 MNMLWXMTVQOVAG-GOSISDBHSA-N 331.387 3.604 0 50 EHAA Cc1cc([C@H](C)NC(=O)N2CCO[C@H](c3ccco3)C2)c(C)s1 119411486 NENQGCWBAARRDP-LRDDRELGSA-N 334.441 3.802 0 50 EHAA CN(C(=O)COc1ccc(Cl)cc1Cl)c1ncccc1F 131530096 QGCKZCGPYDNORZ-UHFFFAOYSA-N 329.158 3.569 0 50 EHAA CO[C@@H](C)c1cccc(NC(=O)N2CCC(Cn3cccn3)CC2)c1 153439241 DJHYVNQILRKOKO-HNNXBMFYSA-N 342.443 3.535 0 50 EHAA O=C(Cc1ccc(Cl)cc1)NC[C@H](O)c1ccc(Cl)c(F)c1 155248022 XQMUVBJHZTYWFD-HNNXBMFYSA-N 342.197 3.525 0 50 EHAA CCOc1cccc2[nH]cc(CC(=O)N(C)[C@@H](C)c3ccccn3)c12 188400451 YXPISLDFOUEDBO-AWEZNQCLSA-N 337.423 3.724 0 50 EHAA Cc1cc([C@H]2CCCN2Cc2cnc(-c3cccs3)nc2)on1 215314402 UOYBNPGRPUJZAD-CQSZACIVSA-N 326.425 3.839 0 50 EHAA CN(C)[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)c1cccs1 225470176 TYTYPWQAZPXTLF-QGZVFWFLSA-N 326.465 3.740 0 50 EHAA O=C(O[C@H]1CCc2cccnc21)c1ccc(CN2CCCCC2)cc1 225604198 JVYFALCMWKTLIV-IBGZPJMESA-N 336.435 3.912 0 50 EHAA CNCCN(C)C(=O)c1cccc(CSc2ccc(C)cc2C)c1 237358876 OTNSDVRAWCAHGN-UHFFFAOYSA-N 342.508 3.887 0 50 EHAA O=C(CNc1ccccc1)Nc1ccccc1OC[C@H]1CCCCO1 237978554 FYWOYOXQVDQFMZ-QGZVFWFLSA-N 340.423 3.685 0 50 EHAA C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H]1c1ccsc1 241124174 JGCWLSWSWIYKPC-KDOFPFPSSA-N 326.465 3.863 0 50 EHAA CNc1nc(CN(C)CCCOc2ccccc2Cl)cs1 244748775 OOEHRCIDXXPYNH-UHFFFAOYSA-N 325.865 3.739 0 50 EHAA O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCCc2[nH]cnc21 252482484 DGRYJRSEINHSOG-IEBWSBKVSA-N 349.409 3.875 0 50 EHAA Cc1csc(C(=O)N2CCCCC[C@@H]2c2ncon2)c1Cl 253430423 KYRAVHQUVNXVEG-SNVBAGLBSA-N 325.821 3.850 0 50 EHAA O=C(O)c1ccc(CCC(=O)N2CCC[C@@H]2c2cccs2)cc1 299748297 GTQAYYPGBAJOEK-OAHLLOKOSA-N 329.421 3.743 0 50 EHAA C[C@@H](Cc1cnccn1)N(C)C(=O)C1(c2ccc(Cl)cc2)CCC1 299756948 IXQGKFQRCRAJSZ-AWEZNQCLSA-N 343.858 3.641 0 50 EHAA O=C(c1ccc2c(c1)CCC=C2)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 329166423 HZKOZWOWIQULCI-GOSISDBHSA-N 348.450 3.661 0 50 EHAA CC(=O)NC1(C(=O)Nc2ccc3ccc(Cl)cc3n2)CCCCC1 332624671 SXMPUZVZVATMDQ-UHFFFAOYSA-N 345.830 3.666 0 50 EHAA CCN(CC(=O)N[C@H](c1cccnc1)c1cc2ccccc2o1)C1CC1 368441222 BFSWDXMXZFUQHE-OAQYLSRUSA-N 349.434 3.518 0 50 EHAA Cc1ccc(C)c(-n2ncc([C@H](C)NC[C@@]3(C)CCCNC3)c2C)c1 423321604 GOUVTWMBAVXHTR-UWJYYQICSA-N 340.515 3.838 0 50 EHAA Cc1cccc([C@H](NC(=O)N(C)CC2(C)COC2)c2cccs2)c1 584893726 GMOINIPHWSIUQG-KRWDZBQOSA-N 344.480 3.824 0 50 EHAA CC(C)Cc1ccc(C(=O)NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)s1 823352637 VKPRBDMOBZBWRX-SUMWQHHRSA-N 347.484 3.567 0 50 EHAA Cc1ccn2cc(CNC(=O)C3(Nc4ccccc4)CCCC3)nc2c1 825240909 YXKVDSKAVNLVMP-UHFFFAOYSA-N 348.450 3.684 0 50 EHAA Cc1nocc1NC(=O)NC1(C(F)(F)F)CCC(F)(F)CC1 934544895 MCKSRZPYYXAJSY-UHFFFAOYSA-N 327.253 3.615 0 50 EHAA O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cc2ncccc2o1 936044943 XBHUKNDURIHGEA-IBGZPJMESA-N 348.402 3.652 0 50 EHAA Cc1ccccc1[C@H](O)CNC1CCN(c2ccc(F)cc2C)CC1 1506405913 IJUOWPZAYMQMAT-OAQYLSRUSA-N 342.458 3.735 0 50 EHAA COC[C@@H]1CCC[C@@H]1NC(=O)c1c(C)c(C)nc2ccc(C)cc12 1565516184 ZSCJEIOKROQNQQ-RDJZCZTQSA-N 326.440 3.705 0 50 EHAA O[C@H]1CCCCCC[C@@H]1NC1CCN(c2ccccc2Cl)CC1 1857676966 NNIWWACVIMKWCZ-HKUYNNGSSA-N 336.907 3.982 0 50 EHAA O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cccs1 174146 MREDBSJEHVADCZ-UHFFFAOYSA-N 330.356 3.894 0 50 EHAA CC(=O)Oc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2c1 358383 BBBINPAJRFMTGT-UHFFFAOYSA-N 328.295 3.958 0 50 EHAA CCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccccc21 417156 AWTDPMSEUDHZMV-UHFFFAOYSA-N 341.436 3.796 0 50 EHAA Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)C(=O)N(C)c2ccccc21 565216 ZRRFSBBGPRHVNK-NRFANRHFSA-N 337.419 3.555 0 50 EHAA COc1ccc([C@H](C)c2cc3c(cc2OCC(C)=O)OCO3)cc1 1612181 RVACSNQYFAZZNT-ZDUSSCGKSA-N 328.364 3.544 0 50 EHAA CC(=O)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 2594942 QZIXNCDHGQQDJV-UHFFFAOYSA-N 327.434 3.796 0 50 EHAA CCOc1cccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1 10469527 JDBPNZRSNAGOQQ-IBGZPJMESA-N 341.407 3.895 0 50 EHAA COc1ccc(OC[C@@H](C)NC(=O)c2ccccc2SC)cc1 10542555 KXBVMXJXIGWLMF-CYBMUJFWSA-N 331.437 3.614 0 50 EHAA Cc1ccc(S(=O)(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 8992747 UPNHMDZBIWUHLU-QGZVFWFLSA-N 343.452 3.547 0 50 EHAA Cc1ccccc1C(=O)Oc1ccc(-c2nnc3n2CCCC3)cc1 225689387 ZTYSYFKBBZYWAI-UHFFFAOYSA-N 333.391 3.809 0 50 EHAA Cc1ccc(C)c(Cn2c(CN3CCOCC3)nc3ccccc32)c1 20668485 UQVKCXXHJIBBBV-UHFFFAOYSA-N 335.451 3.534 0 50 EHAA CC(C)c1cc([C@H]2CCCN2C(=O)NCc2ccc(F)cc2)no1 64667169 JWGAISUPAVWHGM-MRXNPFEDSA-N 331.391 3.984 0 50 EHAA CCc1ccc([C@H]2COCCN2C(=O)c2coc3ccccc23)o1 133897502 MBOOABCLDLCLOO-MRXNPFEDSA-N 325.364 3.802 0 50 EHAA CC(C)[C@@H](O)CNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 134252621 AQSKMPMPKAPGSW-KRWDZBQOSA-N 332.831 3.512 0 50 EHAA CN(Cc1ccccc1)Cc1nnc2sc(-c3cccs3)nn12 65363336 GSWDROWQDXRANZ-UHFFFAOYSA-N 341.465 3.546 0 50 EHAA COc1cccc2c1OCC(CN1CCC[C@@H]1c1c(C)noc1C)=C2 65386470 WLISTCUVYZHPGL-QGZVFWFLSA-N 340.423 3.913 0 50 EHAA CN1CCC[C@@H]1[C@H]1CCCN1Cc1cnc(-c2ccccc2)s1 252477852 WLJWOZWZZKPKTJ-QZTJIDSGSA-N 327.497 3.869 0 50 EHAA Cc1cnc(N[C@H]2C[C@H](C)O[C@H](C)C2)nc1N[C@H]1C[C@H](C)O[C@H](C)C1 252486783 NEQPYEBRXHURRH-ZKOZSGJDSA-N 348.491 3.521 0 50 EHAA CC(C)(C)Oc1cccc(CCC(=O)N2CCC3(CCCC3)C2)n1 151022549 XDFIQVMPKKVYBC-UHFFFAOYSA-N 330.472 3.984 0 50 EHAA Cc1cccc(CSCCCNC(=O)c2cnn(C(C)C)c2)c1 77472575 JMODUHALUSFRHK-UHFFFAOYSA-N 331.485 3.826 0 50 EHAA CC[C@H](CNC(=O)N1CCC[C@@](C)(OC)CC1)Oc1cccc(C)c1 331408261 FMRFNNIDKDYENI-YLJYHZDGSA-N 348.487 3.753 0 50 EHAA Cc1ccc(Cl)cc1C(=O)N[C@@H](CCC(=O)O)Cc1ccccc1 439920832 HEUVGVAESSBEHK-INIZCTEOSA-N 345.826 3.854 0 50 EHAA COc1ccc2cc([C@@H]3CN(c4nc(C)cnc4C)CCO3)ccc2c1 71661381 RAJPIJRRMMNCEA-FQEVSTJZSA-N 349.434 3.833 0 50 EHAA CN(C)c1ccccc1N(C)CC(=O)Nc1cccc2c1N=S=N2 127488730 SAHFIRRLXRFTKY-UHFFFAOYSA-N 341.440 3.554 0 50 EHAA CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2cnn([C@@H]3CCCNC3)c2)CC1 333283530 MXBQFZYGHRDCTB-FGTMMUONSA-N 346.519 3.532 0 50 EHAA Cn1c(=O)oc2cc(-n3ccnc3-c3ccnc4ccccc34)ccc21 77285685 CEBFRIIXYLOQCF-UHFFFAOYSA-N 342.358 3.532 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(O)cc(C(F)(F)F)c1 263532466 XGPMTHCBPOHTCQ-GLQYFDAESA-N 343.345 3.629 0 50 EHAA CCc1nccn1CCNC(=O)c1ccccc1-c1ccc(F)cc1 222679934 ZIVIANONQKECJJ-UHFFFAOYSA-N 337.398 3.682 0 50 EHAA CC(=O)c1ccc(C(=O)N2CCC(c3nccn3C(C)C)CC2)s1 95499929 CDBSHRLINOEPBH-UHFFFAOYSA-N 345.468 3.748 0 50 EHAA O=C(NCCCn1ccc2ccccc21)c1ccccc1-c1ncc[nH]1 97742687 MNPULGKXSDXCPW-UHFFFAOYSA-N 344.418 3.852 0 50 EHAA CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2ccc(C(=O)N(C)C)o2)C1 91526927 BJGADRJUSCWUPN-HXUWFJFHSA-N 346.471 3.857 0 50 EHAA CCCc1nc(C(=O)N(C)Cc2nc3ccccc3s2)cs1 91535477 ACTUWGJLNJPHCJ-UHFFFAOYSA-N 331.466 3.978 0 50 EHAA CN1CCC(CC(=O)NCc2cc(C(F)(F)F)ccc2Cl)CC1 97499673 GXLVHAAJPLCXOE-UHFFFAOYSA-N 348.796 3.707 0 50 EHAA COc1ccc(-c2ccc(CN3CCN4CCCC[C@H]4C3)o2)cc1 244734592 NIKDFKMJBRWTJV-KRWDZBQOSA-N 326.440 3.625 0 50 EHAA FC(F)(F)c1cnc(-c2csc(N3CCOCC3)n2)c(Cl)c1 263639869 MPDIQKRWMYFMEQ-UHFFFAOYSA-N 349.765 3.714 0 50 EHAA CSCC[C@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)n1cccc1 263588879 ZJUWQOQGGKBHBA-XJKSGUPXSA-N 342.468 3.536 0 50 EHAA CSCC1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 299778542 GXATXNDIDYKHAX-FQEVSTJZSA-N 332.557 3.974 0 50 EHAA Cc1noc(C)c1CCc1nnc(-c2ccc(Br)cc2)o1 1341253455 VXWZVPLANZHROK-UHFFFAOYSA-N 348.200 3.889 0 50 EHAA Cc1cc(C)n(-c2cccc(CN(C)CC[C@H]3CCCCO3)c2)n1 952991549 ZUWJUXAPRJBSDC-HXUWFJFHSA-N 327.472 3.880 0 50 EHAA C[C@@H](NCc1cccc(O)c1Cl)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952968867 QLHXDLRTSIPYMR-IGDFAFLASA-N 335.875 3.855 0 50 EHAA CC(C)c1ccc(C(=O)N2CCC[C@@H]2[C@H]2C[C@H](C)CC[C@@H]2O)c(O)c1 408410052 IPZFLRUVMSXMGX-AXUOBQJMSA-N 345.483 3.917 0 50 EHAA CC1(C)CN(C(=O)c2ccn(CC(F)F)n2)c2ccccc2S1 193172615 BWPSUINBUOEHBW-UHFFFAOYSA-N 337.395 3.679 0 50 EHAA Cc1ccc(N(C)[C@H]2CCCN(C(=O)CCc3nccs3)C2)cc1 753052705 VEEAEOAVAWUUCU-KRWDZBQOSA-N 343.496 3.512 0 50 EHAA Cc1nc2c(C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)ccnc2[nH]1 798006416 LCJSQXZYOJZFBJ-MQMHXKEQSA-N 340.814 3.596 0 50 EHAA Cc1ccc2c(NC[C@H]3CCCN(C(=O)C4CC4)C3)ccnc2c1C 1529158648 HODDLTRVVFRCKI-MRXNPFEDSA-N 337.467 3.912 0 50 EHAA Cc1cc(C)c(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cc1C 1529191198 ULTPEMXXVDTJJI-QGFMHUBQSA-N 328.500 3.803 0 50 EHAA COCCCCCC(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529186829 KONJHKGBLRQKPN-RBUKOAKNSA-N 331.456 3.572 0 50 EHAA Cc1nc(NCc2csc(N3CCCC3)n2)c2ccsc2n1 1772705002 OEDZROJTMOREFE-UHFFFAOYSA-N 331.470 3.669 0 50 EHAA Cc1ccc(C(=O)CN2C3=NCCCN3c3cc(C)c(C)cc32)cc1 5394323 RLZPCBYQQGAMOM-UHFFFAOYSA-N 333.435 3.881 0 50 EHAA COc1ccccc1C(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 12745474 RUXKFNZBBLVLAZ-MRXNPFEDSA-N 327.399 3.929 0 50 EHAA CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)OCCO2 13327530 JDIOXCCSTSRKRO-HNNXBMFYSA-N 347.798 3.907 0 50 EHAA O=c1c2cnc3nc(-c4ccccc4)nn3c2ccn1C1CCCCC1 13689978 GHBUAMZAMTVUEV-UHFFFAOYSA-N 345.406 3.611 0 50 EHAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NCc2cnn(C)c2C)c1C 14958027 PPRHRSNASQTALY-IBGZPJMESA-N 349.482 3.698 0 50 EHAA CCc1nc(-c2cc(C3CC3)n(C)n2)n(-c2ccccc2Cl)n1 1857681351 ABEUWFGEJKRQJY-UHFFFAOYSA-N 327.819 3.761 0 50 EHAA COc1cccc(CN2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)n1 1875243232 XQUBQGIBSSWGQE-MOPGFXCFSA-N 326.440 3.688 0 50 EHAA Cc1cc(F)ccc1C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1 119696176 SKVAMZAPFPUZCZ-UHFFFAOYSA-N 334.778 3.742 0 50 EHAA Cc1n[nH]cc1CNC(=O)N1CCC(c2cccc3ccccc23)CC1 263850500 PHHOPOVKCDHJOR-UHFFFAOYSA-N 348.450 3.961 0 50 EHAA c1cc(NCc2cnc([C@@H]3CCCO3)s2)cc(-c2cc[nH]n2)c1 902677674 INOSYCOEHXDAIK-INIZCTEOSA-N 326.425 3.997 0 50 EHAA Cc1c(Br)cccc1CCNC(=O)c1ocnc1C1CC1 830556867 LBZXBVBEGRAJIA-UHFFFAOYSA-N 349.228 3.595 0 50 EHAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2Cc1nc(-c2cccc(Cl)c2)cs1 1875319799 SJSAEXJWBTWLML-VNHYZAJKSA-N 348.855 3.901 0 50 EHAA C[C@H]1C[C@@H](NC(=O)c2cnn(C)c2Cc2ccccc2)c2ccccc21 2325749620 VUSQYDZLZXOSPJ-MGPUTAFESA-N 345.446 3.989 0 50 EHAA O=C(O)C1CC2(CCN(Cc3cccc(-c4cccs4)n3)CC2)C1 2325787893 AIDQLGSGVXXRSZ-UHFFFAOYSA-N 342.464 3.887 0 50 EHAA C[C@H]1c2ccc(O)cc2CCN1CCCc1nc(-c2ccccc2)no1 2325860539 LAIFTSXQONQIEB-HNNXBMFYSA-N 349.434 3.994 0 50 EHAA CC(C)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 187826 CSVSRMZSIDQBRX-OALUTQOASA-N 334.419 3.980 0 50 EHAA biogenic CCOC(=O)Nc1ccc2c(c1)N(C(N)=O)c1ccccc1S2 196696 VMPCLTKGIYVHLY-UHFFFAOYSA-N 329.381 3.936 0 50 EHAA CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1OCC 279244 PNUXVLAQOPONGS-UHFFFAOYSA-N 325.408 3.683 0 50 EHAA O=C(CSCc1cccc(Br)c1)N1CCCCC1 286257 YUYYOUDVNNTGBH-UHFFFAOYSA-N 328.275 3.695 0 50 EHAA NC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCCC2 310759 NCKJOSFJWXOWBG-UHFFFAOYSA-N 340.404 3.724 0 50 EHAA O=C(Cc1ccccc1)Nc1ccc2nn(-c3ccccc3)nc2c1 444551 IJQITDQMAFCLSL-UHFFFAOYSA-N 328.375 3.602 0 50 EHAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccs1 4512598 WWOOJOXCWUGMKO-UHFFFAOYSA-N 327.409 3.849 0 50 EHAA COc1cccc(C[C@@H](CC(=O)Nc2cc(C)ccc2C)C(=O)O)c1 4977254 VRIPSUIDZXILHM-INIZCTEOSA-N 341.407 3.584 0 50 EHAA Cc1ccc(F)c(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c1 6747269 BEASNOHAQDRVOY-UHFFFAOYSA-N 342.399 3.650 0 50 EHAA O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2ccccc2)CC1 7609269 FWEHZHQDKBIAJF-UHFFFAOYSA-N 335.234 3.956 0 50 EHAA CN(CCCOc1ccc(F)cc1)Cc1c2ccccc2nn1C 55099310 CXQGHSHQVXZZCL-UHFFFAOYSA-N 327.403 3.613 0 50 EHAA CCS(=O)(=O)c1ccc(N[C@H]2CCO[C@H](c3ccccc3)C2)cc1 225523095 IVCVEMNTYZXNCP-HKUYNNGSSA-N 345.464 3.812 0 50 EHAA CN1CC[C@H](CNC(=O)Nc2ccccc2Oc2ccccc2)C1 67559246 TUQIBHIHSGGTIV-OAHLLOKOSA-N 325.412 3.552 0 50 EHAA CN(C(=O)NC(C)(C)c1nc2ccccc2n1C)c1ccc(F)cc1 469078142 UMKUQYZTBMGMFJ-UHFFFAOYSA-N 340.402 3.794 0 50 EHAA CC[C@@H](NC(=O)Cc1ccc(OC)c(OC)c1)c1ccc(C)cc1 2764007 KLVIEHPBUYVSKL-QGZVFWFLSA-N 327.424 3.822 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)N1[C@H](C)CCC[C@H]1C 6825588 YFFSUJOLZDXZDW-NXEZZACHSA-N 326.487 3.803 0 50 EHAA CCOc1ccc(CC(=O)Nc2cccc(CN3CCCC3)c2)cc1 78584167 HNGNLKRRLCHOPZ-UHFFFAOYSA-N 338.451 3.862 0 50 EHAA CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[C@@H](c3ccccc3)C2)cc1 229723238 BVVVQWLEIBRQLI-DNVCBOLYSA-N 336.435 3.706 0 50 EHAA Cc1ccc([C@@H](C)CCN(C)Cc2nc(-c3ccccn3)no2)o1 77439882 OCEZLDDGQFTSKP-ZDUSSCGKSA-N 326.400 3.659 0 50 EHAA CCN(Cc1ccccc1Cl)C(=O)C1CCN(CC(F)F)CC1 253419194 FHJDYWVBVVDADM-UHFFFAOYSA-N 344.833 3.666 0 50 EHAA O=C(/C=C/c1ccc(-c2ccccc2F)s1)NCCC1(O)CCC1 253416385 OUEYORCIMHUYSX-VQHVLOKHSA-N 345.439 3.989 0 50 EHAA O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccncc2F)CC1 253419135 JDFPQSXEQZVIRH-UHFFFAOYSA-N 346.789 3.609 0 50 EHAA O=C(CC(F)(F)F)Nc1cccc(C[S@@](=O)c2ccccc2)c1 359992047 KCIBQLQLPGPKEL-HSZRJFAPSA-N 341.354 3.885 0 50 EHAA Cc1nnc([C@@H](C)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 126422994 TWAMYWKSMZHBCE-SKDRFNHKSA-N 342.226 3.899 0 50 EHAA CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1csc(CN)n1 236927810 WKGUPEBZJRJUGF-UHFFFAOYSA-N 344.267 3.571 0 50 EHAA O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)N1CCC=C(F)C1 281920345 AJGXSDZCYLKQIM-UHFFFAOYSA-N 336.260 3.858 0 50 EHAA C[C@@H](NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1ccccc1)c1ccccc1 241653320 PUERSTCNBRKEBJ-TTYHFUOFSA-N 348.446 3.557 0 50 EHAA O=C(c1ncsc1-c1ccccc1)N1CCn2c1nc1ccccc12 242106203 WHVBQGVZRIWXKF-UHFFFAOYSA-N 346.415 3.820 0 50 EHAA CC[C@@H]1[C@H](O)C[C@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 239235500 WBWWKIRERSPQIP-NCYKPQTJSA-N 341.451 3.867 0 50 EHAA O=C(NCc1cnc2ccccn12)[C@@]1(c2ccccc2)CC12CCCC2 426503157 JTFCAZFKHJVHEQ-QFIPXVFZSA-N 345.446 3.853 0 50 EHAA O=C(COc1ccc(Cl)cc1Cl)N1CCC2(CCCO2)CC1 91770631 SICQSKUUVRBCJY-UHFFFAOYSA-N 344.238 3.544 0 50 EHAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](Nc2ncnc3ccccc23)CC1 242718287 XHYYEMBOMWKMBT-HDJSIYSDSA-N 342.443 3.878 0 50 EHAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@H]12 253495418 CYKYBWRSLLXBOW-QYQWGMGISA-N 334.500 3.568 0 50 EHAA Cc1ccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c(C)c1 252490768 LAMHTXAIQRUFIZ-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA CN(CCC[C@@H]1CCCO1)C(=O)NCc1ccc(F)cc1Cl 534673888 PLYGIVMXEOYSGU-CQSZACIVSA-N 328.815 3.580 0 50 EHAA CC(C)N(C(=O)c1ccccc1-c1ncccc1C(=O)O)C(C)C 534640165 GQTZGZNKDKDVIU-UHFFFAOYSA-N 326.396 3.706 0 50 EHAA 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CN1CCC[C@@]2(CCN(Cc3sc4ccccc4c3Cl)C2)C1=O 12298981 UUMOIBNWGNTFJM-SFHVURJKSA-N 348.899 3.999 0 50 EHAA O=C1C[C@@H](c2nc(-c3cccs3)c[nH]2)CN1c1cccc(F)c1 23153506 MXHHXMBMHGLNOG-LLVKDONJSA-N 327.384 3.798 0 50 EHAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2c(C)noc2C)c(C)c1 33086851 JTXCBJHSIMSZNT-INIZCTEOSA-N 348.468 3.743 0 50 EHAA COc1ccc(-c2nc3c(cnn3Cc3cccs3)[nH]2)c(F)c1F 48353729 LJXGJZGNJAOHLT-UHFFFAOYSA-N 346.362 3.823 0 50 EHAA O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc2ccccc2c1 54529694 QMLIEVIGRVRWMT-UHFFFAOYSA-N 345.446 3.601 0 50 EHAA FC(F)(F)c1cc(-c2ccccc2)nc2nc(-c3cccnc3)nn12 55104374 OPAFCSZWHQDHTD-UHFFFAOYSA-N 341.296 3.872 0 50 EHAA Cc1ccc(F)c(NC(=O)CCC(=O)N[C@H](C)c2ccc(F)cc2)c1 55243389 GAVDIONPSYEUDY-CYBMUJFWSA-N 346.377 3.869 0 50 EHAA CCC[C@H]1C[C@H]1C(=O)N(Cc1cc(OC)c(OC)cc1OC)C(C)C 55414238 RPAFWTMCLFZCQY-GOEBONIOSA-N 349.471 3.886 0 50 EHAA O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1cccnc1)CC(O)=N2 71280363 LOYYOJFVYDBIOP-CQSZACIVSA-N 326.400 3.590 0 50 EHAA CSc1nsc(SCCC(=O)Nc2ccc(F)cc2)n1 71375773 BHQVWWMLKFAQBR-UHFFFAOYSA-N 329.447 3.520 0 50 EHAA C=Cc1ccc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)nc1 72167248 UXCNSKDIUYWDKD-CEMLEFRQSA-N 331.463 3.791 0 50 EHAA c1ccc(-c2noc(N3CCC[C@H](c4nc5ccccc5[nH]4)C3)n2)cc1 77301121 YMEVQTKEFDCNRB-HNNXBMFYSA-N 345.406 3.997 0 50 EHAA CCc1cc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)ccn1 77407034 WBFACELCZPBUNT-OAHLLOKOSA-N 342.414 3.714 0 50 EHAA CC(C)Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)on1 91808290 QHFFEFNPQVPUFL-CYBMUJFWSA-N 344.411 3.525 0 50 EHAA CCCc1nnc(N2CCC(c3nc4ccc(C)cc4[nH]3)CC2)o1 95373887 ZCPOCFABHMVDMT-UHFFFAOYSA-N 325.416 3.591 0 50 EHAA CC(C)[C@@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1N(C)C 95524426 VLUBMVMDPSGIKN-XJKSGUPXSA-N 343.298 3.581 0 50 EHAA c1ccc(Oc2ccc(-c3noc([C@H]4C[C@H]5CC[C@H]4O5)n3)cn2)cc1 110593080 FLVYFCSUGJEARN-OWCLPIDISA-N 335.363 3.959 0 50 EHAA Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Nc1ccsc1)CC2 150726030 VVTIFXBHPIYBEE-SECBINFHSA-N 341.358 3.609 0 50 EHAA O=C(NCc1nc2ccccc2s1)c1csc([C@H]2CCCO2)n1 162071942 WUFOLKLVBBDYFQ-GFCCVEGCSA-N 345.449 3.534 0 50 EHAA Cc1nc(CC(=O)N[C@H](C)c2nc(C3CCCCC3)no2)c(C)s1 165485814 LOYVLADNEKMYCR-SNVBAGLBSA-N 348.472 3.611 0 50 EHAA O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ncncc1Cl 175108170 USWXBNUJEGLBSD-UHFFFAOYSA-N 349.781 3.926 0 50 EHAA CCO[C@H](CNC(=O)Nc1c(C)noc1C1CC1)c1ccccc1 194014724 BPERYGJAVOWFSR-OAHLLOKOSA-N 329.400 3.760 0 50 EHAA FC(F)Oc1ccccc1CN(Cc1ccncc1)C[C@H]1CCCO1 215817523 YLNZHXREXDRGQP-QGZVFWFLSA-N 348.393 3.864 0 50 EHAA COCCN(Cc1ccccc1-c1ccc(C)o1)C[C@@H]1CCCO1 216523331 YWMNXMIUZQOKJP-SFHVURJKSA-N 329.440 3.882 0 50 EHAA COC(=O)c1cc(Cl)c(Br)c(OC(F)(F)F)c1 220328179 GUPYTJBCAWWSCT-UHFFFAOYSA-N 333.487 3.788 0 50 EHAA Cc1occc1C(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 225507282 VFBARXJHXBAHOY-ZFWWWQNUSA-N 339.313 3.555 0 50 EHAA COc1ccc(/C=C/C(=O)NCCCCc2nc(C)cs2)cc1 225536803 NGABKVDLTGZJOT-DHZHZOJOSA-N 330.453 3.612 0 50 EHAA CCN1CCc2ccc(NC(=O)c3ccoc3Br)cc21 225548209 IXLQZAMKCULVPX-UHFFFAOYSA-N 335.201 3.677 0 50 EHAA CCc1cc(C(=O)OC[C@@H]2CCCO2)c2c(CC(C)(C)C)noc2n1 240707788 HQNJNXFFJJVNJI-ZDUSSCGKSA-N 346.427 3.710 0 50 EHAA O=C(Nc1cccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1)c1ccoc1 252486333 IORNRIVLRNNPHM-RCCFBDPRSA-N 338.407 3.901 0 50 EHAA COC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CCOCC1 253396996 GFKSSRVCCPJOAA-UHFFFAOYSA-N 345.420 3.567 0 50 EHAA COc1ccc(C(=O)N2CCC(OC3CCC(C)CC3)CC2)c(O)c1 253425884 WHDZKYCSZXYGJY-UHFFFAOYSA-N 347.455 3.601 0 50 EHAA Cc1ccccc1[C@H](NC(=O)Cc1ccc([S@@](C)=O)cc1)C(C)C 253432606 LOSHYJPPUYVTFA-HYBUGGRVSA-N 343.492 3.788 0 50 EHAA Cc1ccc(C[C@H](C)NC(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)s1 270601018 AQELCDXIVGURJW-DUVNUKRYSA-N 338.517 3.880 0 50 EHAA COc1ccc2c(c1)[C@H](C(=O)NCCc1cccc3cccnc13)CC2 277151226 AOSGGVPLLAPXFI-LJQANCHMSA-N 346.430 3.632 0 50 EHAA O=C(O)C[C@@H]1CCCN(CCOc2cc(Cl)ccc2Cl)CC1 299742424 HWHTZENEGHYSEV-GFCCVEGCSA-N 346.254 3.949 0 50 EHAA C[C@@H]1CCC[C@H](CNC(=O)N2CCC(Oc3ncccc3F)CC2)C1 333433665 NZYYUEPZNRVFAV-CABCVRRESA-N 349.450 3.600 0 50 EHAA Cc1[nH]ccc1C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 368542894 IGBMTSYPNZXPFV-LJQANCHMSA-N 330.391 3.719 0 50 EHAA Cc1cccc([C@H]2CCCN2C(=O)CCc2ncc(C(C)(C)C)o2)n1 370187958 ZHASPXSNQPONOG-MRXNPFEDSA-N 341.455 3.972 0 50 EHAA O=C(CC1CCNCC1)N1CCC[C@@H]1c1nc(C2CCCCC2)co1 372098517 KRSKEORBIYTKOW-GOSISDBHSA-N 345.487 3.776 0 50 EHAA CCn1cc(CN(C)Cc2cc(Cl)c(OC)cc2OC)c(C)n1 426523737 VUPPUYMWCLMMNW-UHFFFAOYSA-N 337.851 3.514 0 50 EHAA C[C@@H](CC(=O)N(C)c1cccc(OC(F)(F)F)c1)C1CCNCC1 430099923 YWBZGLSUIAUUKD-LBPRGKRZSA-N 344.377 3.574 0 50 EHAA CC[C@@]1(C)Oc2ccc(NCc3ccc(-n4cncn4)cc3)cc2O1 785547522 FXLRRXZKXBCUKA-IBGZPJMESA-N 336.395 3.777 0 50 EHAA O[C@H](c1nccn1Cc1cnn(-c2ccccc2)c1)C1CCCCC1 849945359 ULBGRTRTDMYZKK-IBGZPJMESA-N 336.439 3.731 0 50 EHAA CC(C)(CNC(=O)N[C@@H]1CCCc2ccccc21)C1=CCOCC1 1346359913 DZUNEEPJZFVZSL-GOSISDBHSA-N 328.456 3.736 0 50 EHAA Cc1cc(O)ccc1C(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529186623 IUMYHYIUMXWCHR-VQTJNVASSA-N 337.419 3.693 0 50 EHAA CC(C)Cn1cc(CNC(=O)NCc2cc3ccccc3s2)cn1 1875289099 SETLHXMOGVPBSU-UHFFFAOYSA-N 342.468 3.753 0 50 EHAA NC[C@H](O)COc1ccc(-c2ccc3oc4ccccc4c3c2)cc1 1875309618 FPYDYAJIBUZCTF-INIZCTEOSA-N 333.387 3.951 0 50 EHAA C[C@@H]1CCN(C(=O)[C@@H](CN)c2ccccc2Cl)[C@H]1c1ccccc1 1875316588 BMHWBGQQVAOHKN-DKSSEZFCSA-N 342.870 3.992 0 50 EHAA O=C(CSc1nc2ccccc2s1)Nc1cncc2c1CCC2 1875359606 KRTMEUOVPHTRRG-UHFFFAOYSA-N 341.461 3.911 0 50 EHAA Brc1ccsc1-c1ccnc(NCc2cccnc2)n1 2325739026 UOPWDYSJPMNIDZ-UHFFFAOYSA-N 347.241 3.975 0 50 EHAA CC(C)[C@H](CNC(=O)C(C)(C)C1CCC1)NC(=O)[C@@H]1CCCC12CC2 2325794831 SPFOQMGVXDLYFL-IRXDYDNUSA-N 348.531 3.650 0 50 EHAA Fc1cc(OCc2ccc3c(n2)NCC3)cc(F)c1CN1CCCC1 2356139710 IGHVXIOKTGTSAA-UHFFFAOYSA-N 345.393 3.503 0 50 EHAA Cc1cccnc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 359501 ZKHKUMXAIPRBLD-UHFFFAOYSA-N 340.235 3.824 0 50 EHAA C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 474744 QLWXGQUIQDCJNW-VIFPVBQESA-N 348.855 3.878 0 50 EHAA Cc1cc(Cl)cc(C)c1OCCn1cnc2ccccc2c1=O 614200 HEGJGQDQJVUITH-UHFFFAOYSA-N 328.799 3.746 0 50 EHAA COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CCC2 2736472 LTTPWTIMJAZQCM-ZIAGYGMSSA-N 341.432 3.766 0 50 EHAA O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(O)cc1 4109274 QKYLHQIDBYATGW-UHFFFAOYSA-N 326.135 3.650 0 50 EHAA COc1cc(C(=O)OCc2ccccc2Cl)cc(OC)c1OC 4056257 QGXOXYVBMZXFJA-UHFFFAOYSA-N 336.771 3.723 0 50 EHAA biogenic,in-vitro COC(=O)c1cccc(Nc2ncnc3sc4c(c23)CCC4)c1 6701556 UVJJYFODJHREPJ-UHFFFAOYSA-N 325.393 3.710 0 50 EHAA CC1(C)[C@H](c2ccccc2)CCN1C(=O)Cc1c[nH]c2ncccc12 421723882 XYHWWOAUURBRPT-SFHVURJKSA-N 333.435 3.900 0 50 EHAA CCCc1cc(CNc2nccc(-c3cnn(CCC)c3C)n2)on1 63883108 LKWYATALDAPZAA-UHFFFAOYSA-N 340.431 3.611 0 50 EHAA Cc1ccccc1C1CC(N[C@H](C)Cn2ncc3ccccc3c2=O)C1 128012500 MFEJITYTWMDIME-IPJUCJBFSA-N 347.462 3.629 0 50 EHAA C[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CCCNC1)c1cccc2ccccc12 422934111 FIQUKRJGGVUXEV-GDBMZVCRSA-N 348.450 3.521 0 50 EHAA COc1ccc(C(=O)c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)cc1 3884366 WZQWLXIKVWWHKH-UHFFFAOYSA-N 346.597 3.807 0 50 EHAA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1ccncc1Cl 328621924 IBDFCRYUPRJBRP-NSHDSACASA-N 335.860 3.692 0 50 EHAA CC(=O)c1c(F)cccc1N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C 252670618 LDURFSSIFHAFNK-RDTXWAMCSA-N 341.430 3.746 0 50 EHAA Cc1coc(-c2cccc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)c2)n1 230129900 PJEHSRKNFQRJCR-BBWFWOEESA-N 341.411 3.729 0 50 EHAA N=C(O)[C@@H](NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc(F)cc1 328639616 WXDUSVFTKACURM-BPQIPLTHSA-N 328.387 3.769 0 50 EHAA O=C([C@@H]1C[C@@H]1c1cccnc1)N(Cc1ccsc1)c1cccnc1 253431943 IJQLBPWAPGJRNA-QZTJIDSGSA-N 335.432 3.875 0 50 EHAA CC1(C)CCc2ccccc2[C@H](NCC2CCS(=O)(=O)CC2)C1 253433545 YCHMHZBNGPYJSS-GOSISDBHSA-N 335.513 3.505 0 50 EHAA O=C(Cc1ccccc1O)N1CCC[C@H](CCc2ccccc2F)C1 71759048 QUPHFAJFISWMDZ-MRXNPFEDSA-N 341.426 3.945 0 50 EHAA Cc1csc([C@@H](C)N(C)C(=O)c2ccc(CCC(C)(C)O)cc2)n1 72430146 VXCDWJCTASCXSG-CQSZACIVSA-N 346.496 3.988 0 50 EHAA Cc1ccccc1-n1nccc1NC(=O)C[C@H](C)c1c(C)noc1C 154790327 DHHVKYLZIKTNIU-ZDUSSCGKSA-N 338.411 3.918 0 50 EHAA O=C(c1cc2nccc(-c3cccs3)n2n1)N1CCc2ccccc21 13644434 ZBIFWKBTAQCZIE-UHFFFAOYSA-N 346.415 3.661 0 50 EHAA CC[C@H](NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)c1nc(C)cs1 127900250 SRSCVAHHHUZRJF-LUKYLMHMSA-N 341.480 3.930 0 50 EHAA COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)CC1 280933430 HQWCEXBFOWRRAQ-YRGVVPAESA-N 343.467 3.759 0 50 EHAA O=C(Cc1ccn[nH]1)N[C@@H](c1ccc(Cl)cc1)c1cccs1 172685374 FQARXXMUCVHSST-INIZCTEOSA-N 331.828 3.573 0 50 EHAA CCCc1ncc(C(=O)N2C[C@H](C)Oc3ccc(OC)cc32)s1 172717436 CLOFFNKJXUENJF-NSHDSACASA-N 332.425 3.532 0 50 EHAA CN(C(=O)c1cnn(Cc2ccccc2)c1)C1CCC(F)(F)CC1 288459723 ZNSSZJMTYYSEEW-UHFFFAOYSA-N 333.382 3.581 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)Cc1c(C)[nH]c2ccc(F)cc12 426535411 GFYVALLWDQUWIF-ZDUSSCGKSA-N 342.418 3.717 0 50 EHAA O=S(=O)(Cc1ccccc1)Nc1ccc2[nH]c(C3CCC3)nc2c1 161932120 PJJXDBRNMRYJAB-UHFFFAOYSA-N 341.436 3.772 0 50 EHAA CCCC[C@@H](CC(=O)O)NC(=O)c1oc2cc(OC)ccc2c1C 95523985 RTLYCXRKJKONQV-LBPRGKRZSA-N 333.384 3.513 0 50 EHAA Cc1nc2c(NC(=O)N(C)[C@H]3CCCc4ccccc43)cccn2n1 97797532 QZEKREUNRWJCMK-KRWDZBQOSA-N 335.411 3.579 0 50 EHAA C[C@@H](COc1ccccc1Br)NC(=O)OC(C)(C)C 149906106 FOBKZJQRLHSFCS-JTQLQIEISA-N 330.222 3.741 0 50 EHAA Cc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c(C)cc1Br 239274687 AOOLIRXLLJTUFZ-UOVKNHIHSA-N 348.240 3.601 0 50 EHAA CCCCSCc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3)oc1C 244691740 JIJREAJXSVHZLZ-CVEARBPZSA-N 336.501 3.588 0 50 EHAA COC(=O)C[C@@H](c1oc2ccccc2c(=O)c1O)C1CCCCC1 253402141 GBHLNPFLTKSCMK-CQSZACIVSA-N 330.380 3.726 0 50 EHAA biogenic CCN(CC)CCNC(=O)c1cccc(-c2ccc3[nH]ccc3c2)c1 299796136 ODAAPLBSSYNGJH-UHFFFAOYSA-N 335.451 3.907 0 50 EHAA Cc1ccc(NC(=O)N2CCC[C@H](c3cc(O)nc(C)n3)C2)c(C)c1 299796982 PBKQHGPNGNFMDP-HNNXBMFYSA-N 340.427 3.519 0 50 EHAA CCc1csc(CNC(=O)[C@@H]2CCCc3c2[nH]c2ccccc32)n1 823542619 LFFJDDTUQHGZDY-OAHLLOKOSA-N 339.464 3.923 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)NCCCc2ccccc2F)c1 670451320 GRFPTQYBPUSOKM-UHFFFAOYSA-N 343.442 3.892 0 50 EHAA CCNc1nc(C)c(C(=O)NCC2(c3ccc(Cl)cc3)CC2)s1 759235060 KVZDIEUWSMADNQ-UHFFFAOYSA-N 349.887 3.998 0 50 EHAA CS(=O)(=O)c1ccc(N2CC3(CCCC3)[C@@H]2c2ccccc2)nc1 408521523 XNNHBJRJHFYZAF-SFHVURJKSA-N 342.464 3.607 0 50 EHAA FC(F)(F)c1csc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n1 270789709 LGXAHDVOGQCOOG-SECBINFHSA-N 343.378 3.541 0 50 EHAA O=C(c1ccoc1Cl)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 192438103 RGTCBBNQXQHXCB-HIFRSBDPSA-N 337.778 3.800 0 50 EHAA CCCCn1ncc(C)c1NC(=O)c1ccc(C(F)(F)F)nc1 1529118292 JFSGUGJLMWMZET-UHFFFAOYSA-N 326.322 3.658 0 50 EHAA CCCC(=O)Nc1cccc(NC(=O)COc2cccc(C)c2)c1 14831661 ZKXKVBGXFPCNLE-UHFFFAOYSA-N 326.396 3.751 0 50 EHAA Cc1ccc2ncccc2c1-c1nccn1C[C@H]1CC2CCN1CC2 1857692609 MHWSQLOAIJXNMA-QGZVFWFLSA-N 332.451 3.891 0 50 EHAA CCCC[C@@H]1CN(C(=O)Cc2cc(F)cc(F)c2)C[C@H](C2CC2)O1 1857719151 FPMNSZXLQWKBKF-QZTJIDSGSA-N 337.410 3.704 0 50 EHAA CC(C)[C@H]1CN(Cc2nnc(C3CC3)o2)C[C@@H](c2ccccc2)O1 1875243320 BAWFUONQERFDFR-SJORKVTESA-N 327.428 3.545 0 50 EHAA CCCN1C[C@@H]2CC[C@H]1CN(Cc1ccc3c(ccn3CC)c1)C2 249685186 FMAQVNTWIDZVEJ-QUCCMNQESA-N 325.500 3.967 0 50 EHAA CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@@H]2CCO[C@H]2C(C)C)no1 365468372 VIGVKLSSSKNNPO-PMPSAXMXSA-N 349.475 3.698 0 50 EHAA O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc2ccccc2cc1O 159530633 UKMKOKSABQJXSM-MRXNPFEDSA-N 325.408 3.767 0 50 EHAA Cc1nn(-c2ccccc2)c(Cl)c1-c1nc([C@H]2CCCOC2)no1 904795972 HNWPSFJNSUHZCL-LBPRGKRZSA-N 344.802 3.778 0 50 EHAA CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccc(O)cc2)nc1C 931970192 HGRSWDNXBTUKAX-INIZCTEOSA-N 341.411 3.863 0 50 EHAA O=C(O)[C@H]1CC(=O)N(c2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1 1875253507 MFXAKPNQEWMZQD-ZDUSSCGKSA-N 349.308 3.810 0 50 EHAA Cc1c(C(=O)O)cncc1C(=O)N(Cc1cccc(Cl)c1)C(C)C 1875277949 PBPLFIOWLBVMHY-UHFFFAOYSA-N 346.814 3.792 0 50 EHAA Cc1cnc([C@H](C)N(C=O)Cc2ccc3c(c2)CCC(C)(C)O3)o1 1875325457 NSEIKTZWWDJPKS-AWEZNQCLSA-N 328.412 3.806 0 50 EHAA Cc1ccc2c(c1)[C@@H](n1cc(COc3ccc(CO)cc3)nn1)CCC2 2325759923 FAOWJWUYBMPSBB-NRFANRHFSA-N 349.434 3.584 0 50 EHAA Cc1nc([C@@H]2CCCN(C(=O)c3c[nH]c4c(F)cccc34)C2)[nH]c1C 2325821800 BKAWHYJVZILAFK-CYBMUJFWSA-N 340.402 3.667 0 50 EHAA Cc1nc(NCCc2ccc3c(c2)OCCO3)c2cc(C)sc2n1 2325853982 JTZJQGMWLHHWTB-UHFFFAOYSA-N 341.436 3.734 0 50 EHAA CC(=O)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 258557 RFYXDEYBXVKFKR-UHFFFAOYSA-N 344.219 3.735 0 50 EHAA CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(F)cc2)c1 342126 NYTBGDVZDMIOHS-UHFFFAOYSA-N 332.400 3.740 0 50 EHAA O=C(CCNc1ccc(C(=O)c2ccncc2)cc1)c1ccccc1 1443337 UYVZMSQLOIPJRF-UHFFFAOYSA-N 330.387 3.998 0 50 EHAA CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)OCC)ccc12 2479761 QHVWGEHTNJBLGW-CYBMUJFWSA-N 332.396 3.774 0 50 EHAA CCOC(=O)c1ccc(OCc2nc(-c3cccs3)no2)cc1 2877414 XKFZVJYFMAELNH-UHFFFAOYSA-N 330.365 3.554 0 50 EHAA O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2ccccc2c1 4511975 MRZWQPFVKRYSPN-UHFFFAOYSA-N 332.359 3.777 0 50 EHAA CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)NC2=S)cc1 4725599 SQLTUBITEMCKPB-ATVHPVEESA-N 338.432 3.656 0 50 EHAA CNc1c(NC(=O)Nc2ccc(F)cc2)c(=O)oc2ccccc12 6747054 BVTSTRWEJRDSRN-UHFFFAOYSA-N 327.315 3.618 0 50 EHAA Cc1ccc(CCCNC(=O)c2ccc(CN3CCCC3)cc2)cc1 10110570 GLERYIWEPDAKAA-UHFFFAOYSA-N 336.479 3.953 0 50 EHAA C[C@@]12CC3CC(C(=O)NCc4cn5ccccc5n4)(C1)C[C@](C)(C3)C2 55341108 NYDWVEOQRVDZEN-LVBDODCMSA-N 337.467 3.947 0 50 EHAA Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cn1 245853990 NJERQXPPWLKLOC-BBWFWOEESA-N 329.831 3.541 0 50 EHAA CSCc1nnc(S[C@@H]2CCCN(c3ccc(C)cc3)C2=O)o1 134134603 WXSTUOFARJDTBH-CYBMUJFWSA-N 349.481 3.529 0 50 EHAA C[C@H](c1ccc(-c2coc3ccccc3c2=O)cc1)N1CCOCC1 65406982 JQPLDPFEMAKSNK-OAHLLOKOSA-N 335.403 3.853 0 50 EHAA COCC1(NC(=O)CCC(=O)Nc2ccccc2C(C)C)CCCC1 63882740 TVLQTQKKZXPWFT-UHFFFAOYSA-N 346.471 3.604 0 50 EHAA O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc(O)c(Cl)c1 143557575 QIRXZCKVNGEQES-CRAIPNDOSA-N 345.826 3.943 0 50 EHAA Nc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl 2559813 LUGXKWLXOYRDIS-UHFFFAOYSA-N 346.221 3.601 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@H]2c2ccccn2)c1 72448272 AVEYEBWCJZKTJG-IBGZPJMESA-N 338.451 3.762 0 50 EHAA C[C@@H](NC(=O)CN1CCC(Cc2ccccc2)CC1)c1ccccc1 7788129 MCTQACUZXRZMGP-GOSISDBHSA-N 336.479 3.819 0 50 EHAA COc1cccc2c(NC(=O)c3noc4c3CCCC4)c(C)cnc12 253416544 KHPHWFHCODIDGZ-UHFFFAOYSA-N 337.379 3.671 0 50 EHAA COc1cc(N[C@@H]2CCCN(Cc3cnc(C)s3)C2)cc(OC)c1 155117723 NPPKGXCREMESMY-CQSZACIVSA-N 347.484 3.545 0 50 EHAA O=C(c1ccc2occc2c1)N1CCN(Cc2cccc(F)c2)CC1 72425255 UESNZSDGGMNAQQ-UHFFFAOYSA-N 338.382 3.530 0 50 EHAA CC(C)Oc1cccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)n1 332389484 LELKOIVPXSIGFI-UHFFFAOYSA-N 340.423 3.594 0 50 EHAA CC(C)(O)CN1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 71746983 HWEXCJGGAIQLDD-FQEVSTJZSA-N 339.479 3.680 0 50 EHAA CC(C)c1cc(C(=O)N2CCO[C@H](Cc3ccccc3Cl)C2)on1 71771573 LDULEQIQAKXUNA-CQSZACIVSA-N 348.830 3.535 0 50 EHAA Cc1nc(=O)c(Cl)c(-c2ccccc2C(=O)N(C(C)C)C(C)C)[nH]1 215860764 OUMPSHXTYBPEOG-UHFFFAOYSA-N 347.846 3.658 0 50 EHAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccccn3)CC2)c1 77452415 PYVFGRBUSATJIG-UHFFFAOYSA-N 346.434 3.800 0 50 EHAA O=C(Nc1ncccc1C(=O)c1ccc(F)cc1)c1cccc(F)c1 241515532 OGBXQTLPXWCIGZ-UHFFFAOYSA-N 338.313 3.843 0 50 EHAA Cc1nn(C)cc1-c1ccnc(N(C)Cc2cccc3ccccc23)n1 48179581 WWHSRCBPHUHTPO-UHFFFAOYSA-N 343.434 3.975 0 50 EHAA CCn1ccc(CN(C)C(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)n1 18057852 UEJUVHZJFZFYMZ-LGMBCPCJSA-N 329.488 3.858 0 50 EHAA Fc1cccc([C@H]2CN(c3nc(-c4ccccc4)ns3)CCO2)c1 174723602 JDGHTNKUXMXEBH-MRXNPFEDSA-N 341.411 3.922 0 50 EHAA Cc1ccc(C(C)(C)NC(=O)N(CCO)Cc2ccccc2F)cc1 426711475 OWOXWAUOLBKRRZ-UHFFFAOYSA-N 344.430 3.573 0 50 EHAA CC1(C)CN(c2ncccc2C(=O)N2CCCC2)C[C@H]1c1ccccc1 426647920 MSDRUJPOBNCUML-IBGZPJMESA-N 349.478 3.948 0 50 EHAA CCn1ncc(-c2cc(C(F)(F)F)n3ncc(Cl)c3n2)c1C 20616566 MDDWTZNIOFIKJC-UHFFFAOYSA-N 329.713 3.593 0 50 EHAA CC(C)N(CC(F)(F)F)C(=O)c1ccc(-c2nccn2C)cc1 426715886 KXSIFUNQXOOCIS-UHFFFAOYSA-N 325.334 3.500 0 50 EHAA Cc1ccc(N2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)nc1 91770497 IXUMISZGUXLYKI-HXUWFJFHSA-N 327.472 3.542 0 50 EHAA Cc1cc(CNC(=O)N(Cc2cccnc2)CC(C)C)ccc1F 426690301 NCYHSDKFCDUAJE-UHFFFAOYSA-N 329.419 3.897 0 50 EHAA Cc1cccnc1[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C1CC1 95376761 KKVZSYBNPNXOLN-HXUWFJFHSA-N 346.434 3.831 0 50 EHAA CCNC(=O)c1ccc(NC(=O)c2cc3cc(C)ccc3[nH]2)c(C)c1 517454476 MFZYHUWZTSLQOG-UHFFFAOYSA-N 335.407 3.787 0 50 EHAA CNC[C@@H]1CCN(C(=O)c2ccccc2Nc2cccc(C)c2C)C1 179020699 HFEZPPPNSTWPOV-KRWDZBQOSA-N 337.467 3.729 0 50 EHAA Cc1cccnc1C[C@H](C)N(C)Cc1nnc(-c2cccc(F)c2)o1 243892627 AJTFBCHQARYMQF-AWEZNQCLSA-N 340.402 3.642 0 50 EHAA Cc1nc([C@@H](C)N(C)C(=O)c2cccc3c2CCC3=O)c(C)s1 952986317 FHWWIVYXZAFMDQ-SNVBAGLBSA-N 328.437 3.722 0 50 EHAA COCC1(NC(=O)[C@H]2CCCc3c2[nH]c2ccccc32)CCCC1 952872376 NAWHOLLVBGFTQQ-INIZCTEOSA-N 326.440 3.663 0 50 EHAA COc1ccc(-n2ccc(CNc3ccnc(C(C)(C)C)n3)n2)cc1 301435874 JSTJCUBDPOFZEL-UHFFFAOYSA-N 337.427 3.581 0 50 EHAA CCc1noc(CC)c1CC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 170605629 CFKAPTNUSITMSL-CYBMUJFWSA-N 332.366 3.531 0 50 EHAA CCc1ccnc(CNC(=O)NC2(c3cccc(OC)c3)CCC2)c1 664807385 QTTTXDHOGDUDML-UHFFFAOYSA-N 339.439 3.531 0 50 EHAA Cc1c(NC(=O)c2cnn(C(C)(C)C)c2C)cnn1C1CCCC1 192742460 BOZRUOXVDICALW-UHFFFAOYSA-N 329.448 3.819 0 50 EHAA CC(=O)N[C@H]1CN(Cc2cc3ccccc3o2)C[C@@H]1c1ccc(C)cc1 216844632 XRLPHLUJNAUPGG-RTWAWAEBSA-N 348.446 3.845 0 50 EHAA CC[C@]1(C(N)=O)CCCN(c2cc(C)c3ccc(Cl)cc3n2)C1 1704324721 DMFXIXUARXDCCO-SFHVURJKSA-N 331.847 3.679 0 50 EHAA Clc1cnccc1Sc1n[nH]c(=NC2CCCCC2)s1 1875264743 QFUJXUFWQDVBFT-UHFFFAOYSA-N 326.878 3.904 0 50 EHAA CCCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1 1779276 IMUYJPVPSCGAAH-JLHYYAGUSA-N 338.407 3.616 0 50 EHAA CC1=C(C)CN(C(=O)N=c2[nH]nc(-c3cc(F)ccc3C)s2)CC1 333503501 VZCHHRNTVLGLOH-UHFFFAOYSA-N 346.431 3.649 0 50 EHAA C[C@@H](C(=O)N1CCC(Cc2occc2C(=O)O)CC1)c1ccccc1 374091741 BEINBJRRGSASLB-CQSZACIVSA-N 341.407 3.563 0 50 EHAA CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)cc1F 262445990 UDVQNXSREFITRX-AWEZNQCLSA-N 333.384 3.735 0 50 EHAA CCOc1ccc(NC(=O)N2CCC[C@@H]2c2ccc(O)cc2)nc1C 931970193 HGRSWDNXBTUKAX-MRXNPFEDSA-N 341.411 3.863 0 50 EHAA COc1nccc(C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)n1 935334711 LDYWULINXLVHBI-MYSGNRETSA-N 343.452 3.645 0 50 EHAA Cc1ccc(C2=CCN(C(=O)Cn3cnc4ccccc43)CC2)cc1 843537208 KZCLASIVBSVLFX-UHFFFAOYSA-N 331.419 3.661 0 50 EHAA CO[C@H](C)c1nc(CN[C@H](C)C2=Cc3ccccc3OC2)cs1 1875285274 ITPHATLEZHJTQE-CHWSQXEVSA-N 330.453 3.805 0 50 EHAA Cc1ncsc1CN(C)c1nccc(N(C)C2CCCCC2)n1 1875341256 MPBIASNXLRYTTG-UHFFFAOYSA-N 331.489 3.647 0 50 EHAA C[C@H]1[C@H](NC(=O)C2CC2)CCCN1C(=O)CCCC1CCCCC1 1875332888 PKEVUFWULKRYPA-MAUKXSAKSA-N 334.504 3.643 0 50 EHAA COc1ccccc1/C=C/CN1C[C@H](OC)C[C@H]1c1nc(C)c(C)[nH]1 888102921 VIOOHWUUPTZNMG-IIMRFPQDSA-N 341.455 3.510 0 50 EHAA CCC[C@H](C)CC(=O)NCCN(C)C(=O)C1(C2CCCCC2)CC1 2325793471 WCOHTDLTOMMHGI-INIZCTEOSA-N 336.520 3.748 0 50 EHAA OCc1ccc(Sc2cn(CC[C@H]3C[C@H]4CC[C@H]3C4)nn2)cc1 2325824100 PDZGBTBMXFJEIJ-JYJNAYRXSA-N 329.469 3.748 0 50 EHAA C[C@H]1CCCN(Cc2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)C1 2325861414 OZSZALGAGBKBJN-HNNXBMFYSA-N 348.450 3.999 0 50 EHAA Cc1ccc(-c2cc(CNc3ccc(F)c(C(N)=O)c3)on2)cc1 225420733 SJJVNDNWPSPETR-UHFFFAOYSA-N 325.343 3.500 0 50 EHAA CCOC(=O)c1c(N)sc(C(=O)Nc2cc(C)ccc2C)c1C 69719 IFTMBLPUPABXRR-UHFFFAOYSA-N 332.425 3.685 0 50 EHAA CCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1 609626 PMYAAUXUKALZHV-UHFFFAOYSA-N 344.367 3.525 0 50 EHAA Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)no1 3908652 QJYFLEYITXJNJM-UHFFFAOYSA-N 344.802 3.750 0 50 EHAA CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)cnc2[nH]ncc12 3924157 SCFMWQIQBVZOQR-UHFFFAOYSA-N 345.349 3.954 0 50 EHAA in-vitro CCc1nnc2sc(COc3ccc(Cl)cc3Cl)nn12 4487565 SYEWJPAEVUMSMN-UHFFFAOYSA-N 329.212 3.634 0 50 EHAA Cc1ccnc(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)n1 10230944 OCEMAYMQXJHNEU-JTQLQIEISA-N 330.438 3.514 0 50 EHAA Cc1cc(C)c(OCc2nnnn2-c2ccc(Cl)cc2)c(C)c1 9303123 KLGSCPCETSGQEH-UHFFFAOYSA-N 328.803 3.820 0 50 EHAA C[C@H]1CN(C(=O)CCC(C)(C)c2ccccc2)C[C@]2(CCCOC2)O1 225471022 HRAHSTBMFVVMMP-UWJYYQICSA-N 345.483 3.541 0 50 EHAA Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)o1 225408643 ASQPHKJYXBFLGW-SMDDNHRTSA-N 339.313 3.555 0 50 EHAA Cc1nccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)n1 416016419 VBPBUGWNRKBBHP-PMACEKPBSA-N 337.467 3.902 0 50 EHAA CCCOc1ccccc1CCCNc1ncnc2oc(C)nc12 55254348 MZCLFAROWFWFAA-UHFFFAOYSA-N 326.400 3.760 0 50 EHAA COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(C)cc32)cc1OC 26665491 GDAJGLDMCDMPIR-GOSISDBHSA-N 336.435 3.923 0 50 EHAA in-vitro CN(C[C@H](O)CCc1ccccc1)[C@H]1CCCN(c2ccccc2)C1 252512020 LNVKTJAPYHTFRQ-FCHUYYIVSA-N 338.495 3.581 0 50 EHAA O=C(c1cncc2ccccc12)N1CC2(CCC2)[C@@H]1C1CCOCC1 425128587 ZSJYIPLRHAXMTK-IBGZPJMESA-N 336.435 3.656 0 50 EHAA CN(Cc1cc(-c2cccnc2)no1)c1ccc(-c2ccccc2)nn1 77354349 YCJVLRVCGSLWRQ-UHFFFAOYSA-N 343.390 3.830 0 50 EHAA Cc1nnc(CC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)o1 170828503 FLBRNOUDKRAGBQ-MRXNPFEDSA-N 347.827 3.541 0 50 EHAA C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 127031522 ADXMPRNRGOVSFJ-CWTRNNRKSA-N 337.398 3.684 0 50 EHAA Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1 77555167 LYVUPAARHDVIPD-HXUWFJFHSA-N 330.447 3.501 0 50 EHAA O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 262191839 IAWNHGKKYHPIHB-HNNXBMFYSA-N 326.396 3.541 0 50 EHAA C/C=C/CN1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 77534976 MKAJTFZMAPBIEV-GMKGHPLGSA-N 326.484 3.510 0 50 EHAA O=C(CCc1ccccn1)N1CCCC[C@H]1CCc1ccc(O)cc1 82157776 VFDMPSHGJNKVBQ-IBGZPJMESA-N 338.451 3.734 0 50 EHAA COCc1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)no1 174819015 PFACDYTZYZQJCO-UHFFFAOYSA-N 325.246 3.557 0 50 EHAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccccc1SC)C2 91587400 XLBCCKLBSCQTIT-HUUCEWRRSA-N 333.501 3.747 0 50 EHAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)C1(c2ccc(F)cc2)CC1 91908276 BFMPLDDHVHULLD-IBGZPJMESA-N 349.409 3.612 0 50 EHAA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(O)[C@@H](O)CO 257346052 POBOSGNSIHOBLX-BRIMZJBHSA-N 336.516 3.504 0 50 EHAA Nc1cc(Br)cc(OC(F)(F)F)c1Br 263624026 MTPWKCBESPXROM-UHFFFAOYSA-N 334.917 3.692 0 50 EHAA Cc1ccc(OCC(N)=O)c(-c2cccc([C@@H](C)N3CCCC3)c2)c1 534639309 DBKWQBMHIRXDSV-MRXNPFEDSA-N 338.451 3.683 0 50 EHAA Clc1ccc2nc(CCN[C@H]3CCN(c4ccccc4)C3)[nH]c2c1 825573680 DZKSJEYDHXENRC-HNNXBMFYSA-N 340.858 3.627 0 50 EHAA CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1OC)c1cccnc1 822830910 LPDAHJURMDLILS-INIZCTEOSA-N 348.468 3.608 0 50 EHAA Cc1cc2nc(-c3ccccc3)cc(N[C@H](C)c3cnn(C)c3)n2n1 72407953 YFMLVIAMYHIQTK-CQSZACIVSA-N 332.411 3.611 0 50 EHAA O=C(CCc1ccncc1)Nc1cccc2c1CN(CC(F)(F)F)C2 186743795 CSGIXYXVINLYSB-UHFFFAOYSA-N 349.356 3.531 0 50 EHAA CC(C)Oc1cccc(CC(=O)NCc2nccn2-c2ccccc2)c1 170617860 DZVATBKFQBGUOH-UHFFFAOYSA-N 349.434 3.518 0 50 EHAA CC[C@H](NC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccncc1 190284625 JAOHWIQVMQBHHY-FHWLQOOXSA-N 339.439 3.610 0 50 EHAA COc1cccc([C@H]2CCN(c3nnc(C)c4ccccc34)C2)c1OC 1529174970 YWWUGAZQUWGKNC-HNNXBMFYSA-N 349.434 3.949 0 50 EHAA CN1C[C@H]2CN(Cc3ccc(F)cc3)C[C@@]2(CCc2ccccc2)C1 1772805129 ZSCCDTUZWBGEQJ-RBBKRZOGSA-N 338.470 3.822 0 50 EHAA Cc1c([C@H](C)NC(=O)Nc2cc(Cl)cc(Cl)c2)cnn1C 5041610 IRJZMQAXEDEWDL-QMMMGPOBSA-N 327.215 3.918 0 50 EHAA Cc1c(C(=O)N(C)c2ccccc2)nnn1-c1ccc(Cl)cc1 11690282 GKGFSCNBWCNZBW-UHFFFAOYSA-N 326.787 3.506 0 50 EHAA COc1ccccc1CN1CCC[C@@](CO)(Cc2ccccc2C)C1 12589614 OBKUKJBALNTCQC-JOCHJYFZSA-N 339.479 3.821 0 50 EHAA CCCc1nnc(S[C@@H]2CCN(c3cccc(Cl)c3)C2=O)o1 122277434 HSSCIBCPDJQBLH-GFCCVEGCSA-N 337.832 3.573 0 50 EHAA CCc1nc(N2CCCC[C@H]2c2ccnn2C)c2ccsc2n1 225578451 KIFNSEBQDYCMPC-AWEZNQCLSA-N 327.457 3.719 0 50 EHAA OCc1ccc(CNCc2cc(Cl)ccc2OC(F)F)cc1 318786488 JQBFGNHQSNIPII-UHFFFAOYSA-N 327.758 3.724 0 50 EHAA CN(CCc1cnccn1)C(=O)N[C@@H]1CCC[C@@H](C(C)(C)C)CC1 333303468 HXJOJTRYHOZPPR-HZPDHXFCSA-N 332.492 3.656 0 50 EHAA O=C(Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1)[C@@H]1CCCO1 151639027 PTYPTVYMLJRDQF-INIZCTEOSA-N 343.333 3.626 0 50 EHAA Cc1ccc(C)c(C2CCN(C(=O)Nc3cnn(CCF)c3)CC2)c1 932013387 CETBRFOTXOUXFZ-UHFFFAOYSA-N 344.434 3.881 0 50 EHAA Cc1nc(CN2CCC([C@H](CC(=O)O)c3ccccc3)CC2)oc1C 1875283166 IFIPDFPTPUHUCG-GOSISDBHSA-N 342.439 3.762 0 50 EHAA C=CC(=O)N(Cc1cccs1)[C@@H]1CCc2cnn(C(C)C)c2C1 1875382515 DYTNBBDDHSEZIE-OAHLLOKOSA-N 329.469 3.598 0 50 EHAA C[C@H]([C@@H]1Cc2ccccc21)N(C)S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 1875362899 YECHLJHGXQIMOR-QRKUABHPSA-N 341.476 3.533 0 50 EHAA CCNC(=O)c1ccc(C)c(NCc2cn(C)nc2C2CCCC2)c1 892327254 KBALMYZVJLZEJZ-UHFFFAOYSA-N 340.471 3.748 0 50 EHAA FC(F)(F)Cn1ccc(Cc2nc(-c3ccsc3Cl)no2)n1 1776007145 YXVXGYRWFHPXRG-UHFFFAOYSA-N 348.737 3.801 0 50 EHAA COC1CC(CCC(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)C1 2325779932 RLBCBPSIYULIBX-UYSNPLJNSA-N 349.475 3.842 0 50 EHAA CN(C(=O)NC[C@@H]1C[C@@H]2CC[C@@H]21)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C 2325824107 PJQMJLYKWXZKLH-PLOWYNNNSA-N 342.483 3.920 0 50 EHAA CCCC[C@H](NC(=O)c1nnc2c(F)cccc2c1O)C1CCC1 2325842367 WDUWEUICVHXAMD-AWEZNQCLSA-N 331.391 3.563 0 50 EHAA O=C1c2ccccc2-c2nc3ncnn3c(-c3ccc(Cl)cc3)c21 185271 PNMAUCHQUMLDBY-UHFFFAOYSA-N 332.750 3.656 0 50 EHAA Cc1cc(C)cc(OC(=O)Cn2c(=O)sc3cccc(Cl)c32)c1 272241 GQTNGXYGGXXGNZ-UHFFFAOYSA-N 347.823 3.939 0 50 EHAA Cc1nnc(SCc2ccccc2F)n1NCc1cccs1 386367 LENPPVOBTXYZHY-UHFFFAOYSA-N 334.445 3.823 0 50 EHAA COc1cccc(OC)c1C(=O)Nc1ccccc1N1CCCC1 559917 ZFBBJAVGTGFCKL-UHFFFAOYSA-N 326.396 3.556 0 50 EHAA COc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 1006617 HBBUMQXEVVXWQU-UHFFFAOYSA-N 336.347 3.793 0 50 EHAA CCOCCOc1cccc(C(=O)Nc2cccc(C(C)=O)c2)c1 2886518 FVRZTGCPWQPYID-UHFFFAOYSA-N 327.380 3.557 0 50 EHAA Fc1ccc(-c2nnc(Cc3nnc(-c4ccc(F)cc4)o3)o2)cc1 2910285 KDUNJPRDUFMZBG-UHFFFAOYSA-N 340.289 3.656 0 50 EHAA COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)OCCO2 3597935 QLQHIDURBSFXIE-UHFFFAOYSA-N 335.359 3.872 0 50 EHAA Cc1ccc2c(c1)[C@@H]1CCC[C@H]3[C@@H]1N2CC(=O)N3Cc1ccccc1 3894268 PZJPBWRMOCJEBR-RBDMOPTHSA-N 332.447 3.862 0 50 EHAA Cc1cc(NC(=O)c2cc(-c3ccco3)on2)n(-c2ccccc2)n1 3908437 BHVCDQFJBSLOLL-UHFFFAOYSA-N 334.335 3.681 0 50 EHAA Cc1c(C)n(-c2ccccc2)c2ncn3nc(-c4ccncc4)nc3c12 6662789 JFNJVZZGMGHLLI-UHFFFAOYSA-N 340.390 3.747 0 50 EHAA CC(=O)c1cc(CN(CCN(C)C)Cc2ccccc2C)cs1 55404300 CQRBTHWBKGVTLT-UHFFFAOYSA-N 330.497 3.823 0 50 EHAA CCOC(=O)c1sc(C)c2c1N[C@](C)(c1ccccc1)N=C2O 8738536 YKXVYNMTCSKNPO-KRWDZBQOSA-N 330.409 3.836 0 50 EHAA Cc1n[nH]c(C)c1CC(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 225397677 LDEOCYBSANHQCS-SFHVURJKSA-N 340.471 3.526 0 50 EHAA Cc1noc(C)c1CN(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 249713186 GINWVIOHUJNLMK-HZPDHXFCSA-N 341.238 3.688 0 50 EHAA O=C(Nc1ccccc1CN1CCCC1)c1cc(-c2ccccc2)[nH]n1 29415630 XTSSAOKFOZVHHP-UHFFFAOYSA-N 346.434 3.925 0 50 EHAA COc1ccc(Cl)c(CN[C@H](C)c2ccc3c(c2)NC(=O)CO3)c1 252498723 RJOIKSZTHMISLA-LLVKDONJSA-N 346.814 3.530 0 50 EHAA CC1(C)C[C@](CCNC(=O)c2ccc[nH]2)(c2ccccc2)CCO1 219799881 UNWFFGIRJWMHJQ-HXUWFJFHSA-N 326.440 3.662 0 50 EHAA CC[C@H](c1ccncc1)n1ccnc1-c1cc2ccccc2n(C)c1=O 71613745 QMUCRFWPGXLMAC-GOSISDBHSA-N 344.418 3.796 0 50 EHAA O=C1C[C@@H](c2ccccc2F)c2ncn(-c3cccc(F)c3)c2N1 40266138 QTBSEVWJJXGLKF-AWEZNQCLSA-N 325.318 3.625 0 50 EHAA CCc1cc(NC(=O)N2CCC(c3ccccc3C)CC2)n(C)n1 172163009 YASBCHOCZMNEQI-UHFFFAOYSA-N 326.444 3.702 0 50 EHAA Cc1ccc(C)c(N(C(=O)c2ccc(S(C)(=O)=O)cc2)C(C)C)c1 240786072 IAAQJWFVUSNELW-UHFFFAOYSA-N 345.464 3.762 0 50 EHAA Cc1cccc2oc(CCNC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)nc12 241630898 PMHAAFYYXGSHDQ-JKSUJKDBSA-N 338.382 3.738 0 50 EHAA COc1ccccc1-c1ccc(C(=O)NCCC[C@H]2CCOC2)cc1 220026218 QKUQLUMTQCMSST-INIZCTEOSA-N 339.435 3.909 0 50 EHAA CC[C@@H](NC(=O)N1CCC[C@H]1c1noc(C(C)C)n1)c1ccncc1 177556688 MQCRGZYFIKOWSI-CABCVRRESA-N 343.431 3.586 0 50 EHAA CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cccc(O)c2)no1 177516409 QECUOCMQMMCEJS-WFASDCNBSA-N 344.415 3.506 0 50 EHAA O=C([C@@H]1Cc2ccccc2O1)N(CC1CCCCC1)c1ccccn1 179285670 CSPJVZNMPDKPSD-IBGZPJMESA-N 336.435 3.999 0 50 EHAA CCN(CCn1cccn1)C(=O)Nc1ccc2c(c1)cc(C)n2CC 96165436 OUTCAUJINQLTMG-UHFFFAOYSA-N 339.443 3.720 0 50 EHAA O=C(Nc1cccc(-c2ncco2)c1)N1CCO[C@@H](c2ccccc2)C1 179160332 KYWNUTOPONLUHY-GOSISDBHSA-N 349.390 3.947 0 50 EHAA CCc1ccc(CN(C)C(=O)N[C@H](C)COc2ccccc2C)nc1 534589068 CHXRMZQOSUXZLO-MRXNPFEDSA-N 341.455 3.561 0 50 EHAA CCOc1ccc(NC(=O)N[C@H](CC)c2cnn(C)c2)cc1Cl 299783237 YZVUSUSZAPHTBF-CQSZACIVSA-N 336.823 3.745 0 50 EHAA CCOC(=O)[C@@]1(C(C)C)CCCN(C(=O)OCc2ccccc2)C1 90463562 XEBWIULVRFZVDT-IBGZPJMESA-N 333.428 3.625 0 50 EHAA in-vitro Cc1onc(-c2ccccc2)c1C(=O)N1CC=C(C(F)(F)F)CC1 270249825 PAJSTVNSMOAIEL-UHFFFAOYSA-N 336.313 3.985 0 50 EHAA CC(C)c1noc([C@@H](NC(=O)C2=CCCCCC2)C2CCOCC2)n1 275410360 SKJXVPDZQYIBLR-INIZCTEOSA-N 347.459 3.667 0 50 EHAA C[C@H]1CCN(C(=O)COc2cccc(Cl)c2)c2c(O)cccc21 170597394 TWZPSYCNIDICDN-LBPRGKRZSA-N 331.799 3.965 0 50 EHAA Cc1cccc(CC2CN(C(=O)c3ccnc(N4CC[C@H](C)C4)c3)C2)c1 674733270 XBVPFZNPLHNXIP-KRWDZBQOSA-N 349.478 3.551 0 50 EHAA O=C(C1CCC1)N1CCC(N[C@@H](c2ccccc2)c2ccncc2)CC1 1506400121 UEYGBLAOTCCXPX-NRFANRHFSA-N 349.478 3.552 0 50 EHAA COc1ccc(/C=C2/SC(=O)N(CNc3ccccc3)C2=O)cc1 1195196 AHKVVGVPCRFJOT-LFIBNONCSA-N 340.404 3.801 0 50 EHAA CN(Cc1ccc2cc(Cl)ccc2n1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529119223 DOPRHMZCNMVRII-MHGIMSBQSA-N 330.859 3.870 0 50 EHAA CCCCNC(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704300674 UKGHJMIMQMTZBV-UHFFFAOYSA-N 341.455 3.541 0 50 EHAA CCOc1ccc(NC(=O)/C=C/c2ccc(OC(C)=O)cc2)cc1 1775970419 MBIIUCAQNUHOTJ-AWNIVKPZSA-N 325.364 3.663 0 50 EHAA COc1cc(CN2CCC[C@H](Nc3ccccc3)C2)cc(OC)c1 15064817 XHFDAFWPKAEORN-SFHVURJKSA-N 326.440 3.780 0 50 EHAA C[C@]1(CNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)CCCO1 476307146 HEPPXEAETCXTOL-HXUWFJFHSA-N 336.391 3.794 0 50 EHAA CC(C)C[C@@H]1CCCCCN1C(=O)Nc1ccnc(C(=O)N(C)C)c1 151982251 HPSMBZWNPQHGMO-INIZCTEOSA-N 346.475 3.606 0 50 EHAA FC(F)CN1CCC(Cc2nc(-c3cccc4[nH]ccc34)no2)CC1 903982947 AAZZWTQIIPSAGZ-UHFFFAOYSA-N 346.381 3.738 0 50 EHAA C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1cnc(O)c2ccccc12 924808503 CNPNGVQRCBRKLT-LBTNJELSSA-N 339.439 3.803 0 50 EHAA Cc1ccc([C@@H]2CCCCN2C(=O)c2cn(CC(F)F)nc2C)o1 933448993 CXFHLXKYMMRSKE-AWEZNQCLSA-N 337.370 3.725 0 50 EHAA CC(C)(C)n1cc(CNc2cccc3oc(C(F)(F)F)nc23)nn1 870998802 HBVKMRSFVCSUEH-UHFFFAOYSA-N 339.321 3.805 0 50 EHAA Cc1cc(S(=O)(=O)N2CCCC3(CCC3)[C@@H]2C)ccc1Cl 1875332452 RYJXCHGRLXISFY-ZDUSSCGKSA-N 327.877 3.992 0 50 EHAA O=C1Cc2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2N1 1875339978 GAJUHHLMFSYWGQ-UHFFFAOYSA-N 345.402 3.794 0 50 EHAA CCn1nc(-c2nn3c(-c4ccccc4Cl)nnc3s2)cc1C 40268416 BQBFWDPDPVQHNC-UHFFFAOYSA-N 344.831 3.698 0 50 EHAA Cc1ccc(N2C[C@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 48976 DFVHTQZTXRZVRY-GFCCVEGCSA-N 346.789 3.779 0 50 EHAA COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2[nH]1 97841 STOQVCXLRVXMOF-UHFFFAOYSA-N 347.827 3.956 0 50 EHAA COc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1Cl 309461 JQUDIWLYABUOTR-UHFFFAOYSA-N 334.828 3.784 0 50 EHAA c1ccc2c(c1)nc(NCc1ccncc1)n2CCN1CCCCC1 2214334 HNBJQJACXKSSBA-UHFFFAOYSA-N 335.455 3.529 0 50 EHAA CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 4011028 FYUSETWRSLPLMK-QSGSBWRWSA-N 348.830 3.700 0 50 EHAA Cc1cc(C)nc(N2N=C(CSc3ccc(Cl)cc3)CC2=O)n1 4487052 FQMPDGPPPMKEGJ-UHFFFAOYSA-N 346.843 3.632 0 50 EHAA O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(Br)cc1 4802200 ZDXYVKCZWRNVLW-ZSOIEALJSA-N 346.155 3.933 0 50 EHAA Cn1ncc(Cl)c1[C@@H]1CCCCCN1C(=O)c1ccccc1F 12119549 HKSUVIRZCHMLFU-HNNXBMFYSA-N 335.810 3.970 0 50 EHAA Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCOCC2)cc1 14397985 UFAIVJFVXQAWTA-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA O=C(CCc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 16602732 JAKSTRQXAVUUBC-UHFFFAOYSA-N 342.870 3.617 0 50 EHAA Cc1ccccc1N1CCN(C(=O)c2cccc(OC(C)C)c2)CC1 16604709 DMXCFVDZIVILOW-UHFFFAOYSA-N 338.451 3.745 0 50 EHAA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/C=C/c1ccc([N+](=O)[O-])o1 22064944 UPCMWLQYTLMKLM-OOWLUYDYSA-N 337.335 3.859 0 50 EHAA CC(C)c1ccc(N[C@@H]2CCCN(CCCn3cccn3)C2)cc1 23379716 MKEVMNOWKOAPRB-HXUWFJFHSA-N 326.488 3.973 0 50 EHAA CNc1ncccc1CN1CCC[C@]2(C=Cc3ccccc3O2)CC1 65398242 CELSCUMKOBKURV-NRFANRHFSA-N 335.451 3.954 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N[C@H]2CCc3ccccc3C2)c1 72473755 HRQASHRATSNLCK-FQEVSTJZSA-N 337.463 3.677 0 50 EHAA CCn1nc(C(C)C)cc1C(=O)N[C@H](c1ncccc1C)C1CC1 91486483 BYAQVAFRFWFCDR-SFHVURJKSA-N 326.444 3.611 0 50 EHAA CCC(=O)NCc1cccc(C[C@H]2COc3c(cccc3OC)C2)c1 95390793 ZUCBXORYIVGEIN-QGZVFWFLSA-N 339.435 3.515 0 50 EHAA COc1ccc(C(=O)Nc2ccccc2Cn2ccnc2C)cc1F 95511280 AJGGYHISWDKRLN-UHFFFAOYSA-N 339.370 3.640 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 95518829 YLOLSCZPZPQDNS-SFHVURJKSA-N 325.456 3.632 0 50 EHAA Cc1nc([C@@H](C)N(C)C(=O)Nc2ccc3ncn(C)c3c2)c(C)s1 97742988 FJFDKQPDNCTDMH-SNVBAGLBSA-N 343.456 3.872 0 50 EHAA COc1ccc2c(c1)CN(C(=O)c1ncoc1C)[C@@H](c1ccccc1)C2 122560163 PFZGMOKEYQKWFU-LJQANCHMSA-N 348.402 3.931 0 50 EHAA Cc1cccc(NC2CCN(C(=O)Nc3ccc(F)cn3)CC2)c1 123399733 GWNOXXUSPBNLJH-UHFFFAOYSA-N 328.391 3.638 0 50 EHAA CCOc1cc(Cl)ccc1NC(=O)[C@H]1OCCc2ccccc21 124450361 WICASTHGPBQOOQ-KRWDZBQOSA-N 331.799 3.991 0 50 EHAA Cc1ccc(CC(=O)Nc2ccc(Br)cc2Cl)cn1 124685761 YERZCWUFVBTTFZ-UHFFFAOYSA-N 339.620 3.987 0 50 EHAA O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccccc2)c2ccccc12 130387136 UAUZHOGJCOVNFA-FPOVZHCZSA-N 348.446 3.723 0 50 EHAA CCc1cc2c(=O)n(Cc3nc(C(C)(C)C)cs3)cnc2s1 154465397 OSQTZEMCSQOZQV-UHFFFAOYSA-N 333.482 3.823 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H]1CCCOc2ccccc21 155298346 KZYCZGLMQIRGJY-WBMJQRKESA-N 327.428 3.550 0 50 EHAA Cc1cccc(CNC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)n1 170611006 JYJFYLYHIJREOK-CYBMUJFWSA-N 329.366 3.510 0 50 EHAA CC(=O)N1CCCN(C(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 171320836 GPMUKFHVWDWUCY-UHFFFAOYSA-N 349.500 3.663 0 50 EHAA Cn1cccc1[C@@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1 172566216 WWIPVJSAZLEUCY-SFHVURJKSA-N 348.406 3.585 0 50 EHAA CC(C)c1cc([C@H]2CCCN2CCn2c(=O)oc3ccccc32)no1 215362277 VCOYBHYJODLHQS-OAHLLOKOSA-N 341.411 3.543 0 50 EHAA COc1cccc(-c2ccc(C(=O)N(C)C[C@@H]3CCCN3C)cc2)c1 216235389 OYGCOAFITOGQJI-IBGZPJMESA-N 338.451 3.528 0 50 EHAA C[C@H](N)[C@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 237411558 NKPMBJMUZMGJPS-AAEUAGOBSA-N 329.271 3.512 0 50 EHAA C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccncc1 240471643 GDKBHXHXMCDYER-UVBJJODRSA-N 345.240 3.825 0 50 EHAA CN(C)C(=O)Sc1ccc(NC(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247618408 NASXKEKUIUCRLK-URLAMEQQSA-N 330.453 3.691 0 50 EHAA Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1ccc(Oc2ccccc2)o1 282783778 LNMFLUDLMWOUFT-HNNXBMFYSA-N 337.379 3.613 0 50 EHAA CC1(C)CN(Cc2c[nH]nc2-c2cccnc2)Cc2ccccc2O1 290185637 ODWSCXVNTMOFOI-UHFFFAOYSA-N 334.423 3.645 0 50 EHAA CC[C@](C)(OC)c1noc([C@@H]2CC(=O)N(c3ccccc3Cl)C2)n1 290188428 UIRUXZYEMNXCLG-DIFFPNOSSA-N 349.818 3.515 0 50 EHAA CC(C)OCc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299772271 UPBTZZDLQSOMDO-BBWFWOEESA-N 327.428 3.688 0 50 EHAA CCn1cncc1CNC(=O)Nc1ccc(OC(C)C)c(Cl)c1 299782303 MJRKSJFJMGSANB-UHFFFAOYSA-N 336.823 3.665 0 50 EHAA Cc1ccc(NC(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)cc1 328586348 LYKXHUGJBIMMGE-YOEHRIQHSA-N 332.350 3.613 0 50 EHAA CCc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(COC)o2)s1 331393116 KNEWIWRMWSYGNF-ZDUSSCGKSA-N 334.441 3.731 0 50 EHAA O=C(c1ccc(C2CCCCC2)cc1)N1CCC[C@@H](n2ccnn2)C1 333286238 NIXCYPKGKZOIKS-LJQANCHMSA-N 338.455 3.803 0 50 EHAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cnn(-c2cccnc2)c1 347506493 ZCSMQYJQFWCHHH-IBGZPJMESA-N 332.407 3.553 0 50 EHAA Cc1cc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)c(C)n1Cc1ccncc1 359265745 UBRDCLZFTWKFHU-IBGZPJMESA-N 337.467 3.809 0 50 EHAA COc1ccc(OC)c(-c2csc(NC(=O)[C@H]3CC34CCC4)n2)c1 675327929 VGOSDZDQVGTZMM-CYBMUJFWSA-N 344.436 3.956 0 50 EHAA CCn1c(C)cc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)ccc21 823582564 IQJAYPKWDYUPGK-SFHVURJKSA-N 347.418 3.783 0 50 EHAA CCC(CC)(CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)C(=O)O 872905559 XCVGLJIOPMWOOG-MRXNPFEDSA-N 345.443 3.657 0 50 EHAA Cc1cc(N2CCC[C@H]2c2ccc(Cl)cc2)n2nc(C)nc2n1 881793712 VJVUVOPZTAXIFC-HNNXBMFYSA-N 327.819 3.736 0 50 EHAA Cc1n[nH]cc1C1CCN(C(=O)c2c[nH]cc2Cc2ccccc2)CC1 935881140 YDQLTGVMQDAIKA-UHFFFAOYSA-N 348.450 3.657 0 50 EHAA COc1cc(C(=O)N2CCCC[C@H]2CCc2cccs2)ccn1 952860279 KTCMHQNFHFSYQF-HNNXBMFYSA-N 330.453 3.779 0 50 EHAA CNc1nc(C)cc(NC[C@@H](c2ccccc2)N2CCCCCC2)n1 952868101 BLGSRYALPUVLLH-SFHVURJKSA-N 339.487 3.856 0 50 EHAA CCCn1cc(NC(=O)N2CCC[C@@]2(C)Cc2cccs2)cn1 1335904276 CSMSCJVKZCHSOW-KRWDZBQOSA-N 332.473 3.984 0 50 EHAA O=C(NCc1cscc1Cl)N[C@H]1CCOCC12CCCC2 1342104475 ABUYKTROSDPCQK-ZDUSSCGKSA-N 328.865 3.550 0 50 EHAA COCc1nnc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)o1 1772702916 BFCNBHGOWPRNLU-LJQANCHMSA-N 345.443 3.545 0 50 EHAA Cn1c(N2CC[C@@H](c3ccc(F)c(F)c3)C2)nc2ccc(F)cc21 1875331674 SMXTZQQNQVNMCU-GFCCVEGCSA-N 331.341 3.985 0 50 EHAA CCCc1nc(CCCc2nc(C)no2)n(-c2ccc(CC)cc2)n1 1875341091 FXLIZVKOUYFEQX-UHFFFAOYSA-N 339.443 3.649 0 50 EHAA CCCCn1nc(CC(C)C)c2c(NC[C@H]3CCCCO3)ncnc21 2100539758 XBIHJPZQKRPZPA-OAHLLOKOSA-N 345.491 3.806 0 50 EHAA COC(=O)C1Oc2ccc(Cl)cc2Cc2cc(Cl)ccc2O1 2204 BORQIQWYKSNHKN-UHFFFAOYSA-N 339.174 3.855 0 50 EHAA in-man Nc1c(Br)cc(Br)cc1Br 262690 GVPODVKBTHCGFU-UHFFFAOYSA-N 329.817 3.556 0 50 EHAA biogenic,in-vitro COc1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1Cl 1100495 VOSXGJDAFOSKSO-NSHDSACASA-N 335.787 3.763 0 50 EHAA CCCCN(CC)C(=O)c1ccccc1I 2743591 CFCNYPZFOQZDHW-UHFFFAOYSA-N 331.197 3.553 0 50 EHAA COc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1 2836286 AQLIORXTEXHFJP-UHFFFAOYSA-N 333.192 3.770 0 50 EHAA COc1ccc(NCc2nc(-c3ccc(C)cc3)no2)cc1OC 4412552 PVNBRUCVSDDLJC-UHFFFAOYSA-N 325.368 3.674 0 50 EHAA C[C@H](NC=O)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 4809914 XDEPHFYYBJNSAY-ZDUSSCGKSA-N 343.814 3.576 0 50 EHAA CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(F)cc1 7720292 IJHFQTRVCWHAGX-UHFFFAOYSA-N 345.761 3.801 0 50 EHAA Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)o1 225408597 ASQPHKJYXBFLGW-RISCZKNCSA-N 339.313 3.555 0 50 EHAA Brc1ccc(CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 101789432 ORSOTLDCGHFTFF-XYJFISCASA-N 349.316 3.755 0 50 EHAA Cc1noc(COc2ccc(Oc3ncnc4ccsc34)cc2)n1 342410298 FCVAWHJXQPXUMZ-UHFFFAOYSA-N 340.364 3.754 0 50 EHAA CC(C)C[C@H]1CCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)C1 67605668 VYNFIGYBUXNZDM-CQSZACIVSA-N 345.418 3.636 0 50 EHAA CCOc1ccccc1N1CCN(Cc2cc(F)ccc2F)CC1 55291828 JGDNEHSYZFPDPK-UHFFFAOYSA-N 332.394 3.686 0 50 EHAA Cc1oc2nc(CN[C@H]3CCC[C@@H]3c3ccccc3)nc(N)c2c1C 133810545 XICBFCIABKVPGB-CVEARBPZSA-N 336.439 3.848 0 50 EHAA CN(Cc1ccccc1Cl)S(=O)(=O)c1c(F)cccc1Cl 463674484 XQLQBPONOOSUOE-UHFFFAOYSA-N 348.226 3.953 0 50 EHAA COCCN1CCC[C@]2(CCN(Cc3cc4ccccc4s3)C2)C1 11816236 PJGGMAGHNIDVNI-FQEVSTJZSA-N 344.524 3.836 0 50 EHAA CC1(C)C[C@@](CCNC(=O)c2ccncc2)(c2ccccc2)CCO1 218964448 BOKVMDFRAKVBGU-NRFANRHFSA-N 338.451 3.729 0 50 EHAA COc1cccc(C2CCN(CC(=O)c3cc(C)[nH]c3C)CC2)c1 353961165 SJHAQNVDDLHWKF-UHFFFAOYSA-N 326.440 3.702 0 50 EHAA COc1cc(C(=O)Nc2ccc(Cl)cn2)ccc1OC(F)F 2792670 ILLOEUJGUKRHLM-UHFFFAOYSA-N 328.702 3.597 0 50 EHAA Cc1cc2nc(-c3ccccc3)cc(C(=O)N3CC(CO)C3)c2cc1C 122300349 KZPNHXJZXLKRMU-UHFFFAOYSA-N 346.430 3.583 0 50 EHAA Cc1oc(-c2cccs2)nc1CN1CC[C@@H](Oc2cccnc2)C1 152521253 AMNAARXJURWWGQ-OAHLLOKOSA-N 341.436 3.760 0 50 EHAA Cn1ncc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1C1CC1 71416084 CFYABHDOKTWYEH-QGZVFWFLSA-N 331.847 3.524 0 50 EHAA O=c1c2ccccc2nc(S)n1[C@@H]1CCOC2(CCCCC2)C1 128444678 KXXIUXWDAYSIAK-CYBMUJFWSA-N 330.453 3.740 0 50 EHAA Cc1cccc(OC2CCN(C(=O)c3cc(C(C)C)nn3C)CC2)c1 77505683 KVKCFHSDQASNMV-UHFFFAOYSA-N 341.455 3.536 0 50 EHAA CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc3[nH]ccc3c2)o1 159002828 VWFXZPDGVKTFHL-QGZVFWFLSA-N 339.395 3.929 0 50 EHAA COc1ccc(NC(=O)CN2CC[C@@H]3CCCC[C@H]3C2)cc1Cl 239415190 TZCTZRCNJIEPCK-KBPBESRZSA-N 336.863 3.799 0 50 EHAA COC1(c2nc(-c3ccccn3)no2)CCN(CCC(C)(C)C)CC1 340099191 KJCWKWBEJJFCGV-UHFFFAOYSA-N 344.459 3.505 0 50 EHAA CC(C)c1nc(C2(NC[C@H](O)c3ccc(Cl)cc3)CCCC2)no1 174242452 QGNJCNLNOCGZMQ-HNNXBMFYSA-N 349.862 3.939 0 50 EHAA Cc1noc(C)c1C(C)(C)NC(=O)Cc1ccc2c(c1)CCCC2 286475663 IWUOEQZPWCXWNN-UHFFFAOYSA-N 326.440 3.764 0 50 EHAA Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2csc(C(C)C)n2)n1 426465476 PGUDCBLXYIAIOS-CYBMUJFWSA-N 332.473 3.505 0 50 EHAA CNC(=O)C[C@H](C)N(C)C(=O)Nc1cccc(-c2cccc(C)c2)c1 95501844 OUQGFFHXFVSYEK-HNNXBMFYSA-N 339.439 3.650 0 50 EHAA C[C@]1(c2ccccc2)CCC(=O)N(Cc2cc(-c3cccnc3)no2)C1 92038123 QJKDCJHAMWBGGD-NRFANRHFSA-N 347.418 3.817 0 50 EHAA CC[C@@H](C)c1ccccc1NC(=O)NCc1ccc(C(=O)N(C)C)o1 97546638 NQWOLIODOMUGBZ-CYBMUJFWSA-N 343.427 3.817 0 50 EHAA O=C(Cc1cc(F)c(F)cc1F)N1CCCC[C@@H]1c1cccnc1 247807480 CDQVTBQMHAKDDI-QGZVFWFLSA-N 334.341 3.795 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1coc(-c2ccc(F)cc2)n1 299743724 PCERSLSYZCOGLG-COXVUDFISA-N 344.386 3.698 0 50 EHAA O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C(F)(F)F 43827441 XGKXKFQRLMROJG-UHFFFAOYSA-N 336.029 3.969 0 50 EHAA CCn1c(C)cc2cc(NC(=O)N[C@H](C)Cc3cnccn3)ccc21 299790610 BLTGFDHUBYYTOT-CYBMUJFWSA-N 337.427 3.512 0 50 EHAA Cc1nnc([C@H]2CCCN(Cc3ccccc3OC3CC3)[C@H]2C)o1 886078393 YADGCQIGVUTLKX-GUYCJALGSA-N 327.428 3.687 0 50 EHAA COc1ccc(CN[C@@H](Cn2cccn2)c2ccccc2)c(F)c1 952860678 RBNJEFKNOXNYKE-IBGZPJMESA-N 325.387 3.562 0 50 EHAA O=C(CN1CCCCCC1)Nc1ccc([C@@H](O)c2cccs2)cc1 952972423 XJTHODFXXOOQLV-LJQANCHMSA-N 344.480 3.644 0 50 EHAA CCOC(=O)N[C@@H](Cc1ccccc1)c1csc(CCCOC)n1 408522778 DEVULSSXWMSDPK-HNNXBMFYSA-N 348.468 3.752 0 50 EHAA C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)c2cccc(Cl)c2F)CCO1 274413290 OZUVIRFNXHLYLH-NEPJUHHUSA-N 342.842 3.623 0 50 EHAA C[C@@H](c1cccs1)N(C)C(=O)Nc1cn(Cc2ccccc2)nn1 170616918 XWYJGGCOBVRQEF-ZDUSSCGKSA-N 341.440 3.613 0 50 EHAA COc1cccc([C@H](OC)c2noc(CCO[C@H](C)CC(C)C)n2)c1 665064944 DJKPWPOCDBYQJG-KDOFPFPSSA-N 348.443 3.808 0 50 EHAA Cc1c(NC(=O)c2cccc(OC(C)C)n2)cnn1C1CCCC1 192730653 MRROMORFWSTCOD-UHFFFAOYSA-N 328.416 3.741 0 50 EHAA CC(C)Cc1cc(C(=O)N2CCCCC[C@H]2c2ccco2)nc(O)n1 1506427531 NJMQJWLMEZKCKJ-INIZCTEOSA-N 343.427 3.731 0 50 EHAA CC[C@@H](Nc1cncc(C(=O)N2CCCC2)n1)c1ccc(C)c(C)c1 1704339417 FMHCXGXMWZCPMK-QGZVFWFLSA-N 338.455 3.893 0 50 EHAA CCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1 460283 UAVCTSXLFXTRQP-JLHYYAGUSA-N 325.364 3.524 0 50 EHAA O=C(Nc1ccn(Cc2ccccc2F)n1)Nc1ccc(F)cc1F 5041375 OSZHGSABJOTGND-UHFFFAOYSA-N 346.312 3.993 0 50 EHAA C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc2c(c1)OCO2 12383738 WHWMVPSCVKUSET-SNVBAGLBSA-N 348.196 3.669 0 50 EHAA CN1c2cc(C(=O)Nc3ccccc3)ccc2C(=O)N2CCCCC[C@H]21 169766111 PJVREQSLFCLVNJ-IBGZPJMESA-N 349.434 3.731 0 50 EHAA COc1ccc([C@H]2C[C@H](NC(=O)c3ccc(O)c(Cl)c3)C2)cc1F 436509360 FOXLILXGCLPAGG-JOCQHMNTSA-N 349.789 3.869 0 50 EHAA CC1(C)CN(S(=O)(=O)c2sccc2Cl)[C@H]1c1ccncc1 333739206 VKIFKDATCRVWOO-LBPRGKRZSA-N 342.873 3.568 0 50 EHAA CN(C)Cc1csc(CN2C[C@@H]3CC[C@H](C2)CN3CC2CCC2)c1 248094070 GDAHNOZPUYEENF-MJGOQNOKSA-N 347.572 3.506 0 50 EHAA CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)C1[C@@H]2CCC[C@@H]12 154038537 IJKZTOMXDPIYTE-GHMZBOCLSA-N 343.254 3.708 0 50 EHAA C[C@@H]1CCC[C@@H](C)N1CCN=c1[nH]c2c(s1)Cc1ccccc1-2 1875338714 IRSLKUQACDFHHK-ZIAGYGMSSA-N 327.497 3.811 0 50 EHAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccncc1 33594 LCBZKYSIPJPASJ-UHFFFAOYSA-N 345.761 3.768 0 50 EHAA C[C@H](NCc1ccc2ccn(C)c2c1)c1cccc(N2CCOC2=O)c1 2325812318 GPVVVEJNTSJERW-HNNXBMFYSA-N 349.434 3.986 0 50 EHAA O=S(=O)(Nc1ccccc1N1CCCCCC1)c1ccccc1 109423847 LNJKSMOCMMBOMX-UHFFFAOYSA-N 330.453 3.868 0 50 EHAA COc1ccc(-c2nnc(SC)n2-c2ccccc2)cc1OC 60607 NJHJESZWPRZAGN-UHFFFAOYSA-N 327.409 3.673 0 50 EHAA CCOC(=O)C1CCN(c2ccc3nc(CC)c(CC)nc3c2)CC1 169815 JURZCLGBTSTISK-UHFFFAOYSA-N 341.455 3.534 0 50 EHAA CCCC(=O)NC(=S)Nc1c(C)cc(Br)cc1C 341943 SKDNSLYDKHIGOD-UHFFFAOYSA-N 329.263 3.679 0 50 EHAA COc1ccc(CC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 467111 HZJLORJCINHUHJ-UHFFFAOYSA-N 332.403 3.862 0 50 EHAA COc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccco3)C2)c1 1077179 WXMVTMPDXNTQPV-MRXNPFEDSA-N 336.347 3.873 0 50 EHAA CCN(CC)CCCNc1ncnc2sc3c(c12)CC[C@@H](C)C3 1778459 XOKSNQDXZYSYLB-CYBMUJFWSA-N 332.517 3.960 0 50 EHAA CCCOC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1 2132222 TVINNSPLEWMBKA-UHFFFAOYSA-N 327.380 3.579 0 50 EHAA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1ccc(Cl)cc1 2471152 IBZYTAIRCPRBPK-HNNXBMFYSA-N 346.766 3.842 0 50 EHAA Cc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cccc(OCCN(C)C)c1 3738375 UYYSCOZGLPIEKR-NRFANRHFSA-N 349.478 3.652 0 50 EHAA CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(Cl)cc1)C(=O)O 4240991 ITYZUJACZSDOIE-QGZVFWFLSA-N 339.819 3.737 0 50 EHAA C[C@H](c1ccccc1)n1c(S)nnc1-c1cc(C(C)(C)C)n[nH]1 5490154 ZZZAPGSPUOTQRY-LLVKDONJSA-N 327.457 3.864 0 50 EHAA O=C(CCc1nnc(C2CCCCC2)o1)NCCCc1ccccc1 12055446 GJFDOLSGRXQTDE-UHFFFAOYSA-N 341.455 3.799 0 50 EHAA Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)OC3)c1C 13676109 RPFULLFYMYRJDI-UHFFFAOYSA-N 345.464 3.956 0 50 EHAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C2CCC2)C1 14969237 QECVCAQIXFMHAR-FQEVSTJZSA-N 331.456 3.653 0 50 EHAA CC(C)(CO)CN[C@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 14979533 GHAFRJSUKXKNEZ-KRWDZBQOSA-N 345.462 3.633 0 50 EHAA COc1ccc(CC[C@H](C)N2CCN(Cc3ccccc3)CC2)cc1 22862302 UGMNVYWHPWRPNI-IBGZPJMESA-N 338.495 3.834 0 50 EHAA CCCO[C@@H]1CCCN(C2CCN(c3cccc(OC)c3)CC2)C1 32603583 GYKLWVFSHKRIIQ-HXUWFJFHSA-N 332.488 3.555 0 50 EHAA Cc1nn(C)cc1-c1ccnc(NCCSC2CCCCC2)n1 48482681 OKPIPHPCTXBXMR-UHFFFAOYSA-N 331.489 3.663 0 50 EHAA CN(CC[C@@H]1CCCCO1)C(=O)COc1ccc(Cl)cc1Cl 62193063 LMELAYIBDNGSNF-ZDUSSCGKSA-N 346.254 3.790 0 50 EHAA Cc1ccsc1-c1cn([C@H](CO)Cc2ccc(Cl)cc2)nn1 67817969 SBJXXJKFOZLAOO-AWEZNQCLSA-N 333.844 3.745 0 50 EHAA c1ccc(-c2ncn(CCCNc3cccnc3)c2-c2ncc[nH]2)cc1 67847727 OXEBNVQJWRXVTN-UHFFFAOYSA-N 344.422 3.837 0 50 EHAA COc1ccc(-c2nc(Cn3cnc(C)c3)c(C)o2)c(OC)c1C 67855227 YYOROHJNXKLRMV-UHFFFAOYSA-N 327.384 3.529 0 50 EHAA Cc1nc([C@H](C)Nc2nc(C(C)(C)C)nc3c2cnn3C)cs1 72125334 IJVDPVJLGMLVJL-VIFPVBQESA-N 330.461 3.599 0 50 EHAA CN1CCC[C@@]2(CCCN(Cc3ccc(CCC(C)(C)O)cc3)C2)C1 72429373 XIOHRRCCAONXHC-JOCHJYFZSA-N 344.543 3.698 0 50 EHAA CCC(CC)CN1CC2(CCN(C(=O)c3ccccc3)CC2)OC1=O 77342847 RCFOMWJWLNCBRT-UHFFFAOYSA-N 344.455 3.550 0 50 EHAA O=C(c1ccc2[nH]ccc2c1)N1CCC(c2nccn2CC2CC2)CC1 82120770 LWUFGAMRJPRBAM-UHFFFAOYSA-N 348.450 3.794 0 50 EHAA CC(C)n1cncc1CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95374475 QKECGXAPTFOECF-KRWDZBQOSA-N 327.428 3.542 0 50 EHAA CCc1cc(NC(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)n(C)n1 116512140 YSUWRSPCQGCYQL-SNVBAGLBSA-N 335.477 3.619 0 50 EHAA CN(C)CC1CCC(NC(=O)NC[C@@H]2CCCc3ccccc32)CC1 137519589 FYOBJCRHWKRNKK-AVAKVYKDSA-N 343.515 3.526 0 50 EHAA N[C@H](CNC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1 152109806 MWHDABBJDNXTAM-JKSUJKDBSA-N 336.357 3.539 0 50 EHAA Cc1cccc(OCC(=O)Nc2cccc(Oc3cccnn3)c2)c1 173173699 NTYNGRZKDCQCRT-UHFFFAOYSA-N 335.363 3.595 0 50 EHAA COc1ccc(C(=O)N2CCn3cccc3[C@@H]2C)cc1-c1ccccn1 178855245 NOKYHXOBOBQLMS-HNNXBMFYSA-N 347.418 3.776 0 50 EHAA CNC[C@H]1CCN(C(=O)/C=C/c2sc3ccccc3c2Cl)C1 178978636 WLPRPYZTWFYQKA-NNNHXZLVSA-N 334.872 3.636 0 50 EHAA CSCCCCC(=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 186188642 CMABPMMLSDRUCL-OAHLLOKOSA-N 327.877 3.773 0 50 EHAA COc1ncccc1C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1 192494535 JBGQINYJMCVKKH-UHFFFAOYSA-N 348.406 3.542 0 50 EHAA Cc1nc2ccc(NC(=O)c3cn(C4CC4)c(C)cc3=O)cc2s1 225797553 XVWWIRUUOTVIDL-UHFFFAOYSA-N 339.420 3.662 0 50 EHAA CCOc1ccc(Oc2ccc(NC(=O)[C@H](C)CNC)cc2)cc1 236859714 HGASRXBHORMLKW-CQSZACIVSA-N 328.412 3.672 0 50 EHAA O=C(c1cc2ccccc2c(=O)o1)N(CC(F)F)c1ccc(F)cc1 253395307 JKJCRZOLLBWWKM-UHFFFAOYSA-N 347.292 3.844 0 50 EHAA C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 257357473 OFWWSHNAQHDEIN-GFCMULPESA-N 334.500 3.566 0 50 EHAA CCCC(=O)Nc1ccc(Cl)c(NC(=O)NCC(F)(F)F)c1 284387593 IFXJNYBXFFYHTR-UHFFFAOYSA-N 337.729 3.762 0 50 EHAA Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)C2)n[nH]1 299754087 ZXJUENKPNUWGRJ-HYVNUMGLSA-N 343.858 3.881 0 50 EHAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 299754111 RYKHCNJZMPKSBQ-ULQDDVLXSA-N 337.423 3.723 0 50 EHAA COC(=O)c1cc(-c2ccc(F)cc2)n(Cc2ccc(OC)cc2)n1 328579012 HRFFLLXUKGZXIC-UHFFFAOYSA-N 340.354 3.533 0 50 EHAA C[C@@H]1CN(C(=O)c2ncsc2-c2ccccc2)c2cccnc2O1 328588709 NADSTSHXZMEBPI-GFCCVEGCSA-N 337.404 3.633 0 50 EHAA COc1ccccc1Oc1ccc(CN=c2[nH]cnc3[nH]ccc23)cc1 347266876 CXZPORFEMLEVMC-UHFFFAOYSA-N 346.390 3.793 0 50 EHAA O=c1cc[nH]c2cc(NCc3c[nH]nc3-c3ccc(F)cc3)ccc12 390832836 LUEDPUROLBDVIV-UHFFFAOYSA-N 334.354 3.669 0 50 EHAA CC(C)c1nc(-c2ccccc2N2CCOCC2)n(C(C)(C)C)n1 584900201 CDEUHTNTIJOTSG-UHFFFAOYSA-N 328.460 3.660 0 50 EHAA Cc1nc(Cl)ccc1CC(=O)Nc1cccc(OC(F)F)c1 763885935 VYVTXWHXMTWMMR-UHFFFAOYSA-N 326.730 3.826 0 50 EHAA CC[C@@](C)(OC)c1noc(-c2ccc3nc(C(F)(F)F)cn3c2)n1 810334204 VNXYHVZHRPILDU-CQSZACIVSA-N 340.305 3.675 0 50 EHAA CCc1nc(N2CCC[C@H]2c2nc(C)c(C)[nH]2)c2ccsc2n1 895193822 UKHANBUGSMEIED-ZDUSSCGKSA-N 327.457 3.935 0 50 EHAA Cc1oc(C(C)(C)C)cc1CN1CCC([C@@H](O)c2ccnn2C)CC1 895515227 ZUFHRCTYCTVDHG-LJQANCHMSA-N 345.487 3.565 0 50 EHAA COc1cc(C(=O)N2CCCC[C@@H]2CCc2cccs2)ccn1 952860280 KTCMHQNFHFSYQF-OAHLLOKOSA-N 330.453 3.779 0 50 EHAA CC[C@@H](C(=O)N1CCC(Sc2cccc(C)c2)CC1)n1cccn1 952965899 UZAKIZRKYBWGGL-SFHVURJKSA-N 343.496 3.926 0 50 EHAA CCc1cc2c(Nc3cnn(Cc4cccnc4)c3)ncnc2s1 1321138477 DIXRMNAVOLNZSI-UHFFFAOYSA-N 336.424 3.637 0 50 EHAA OC[C@@H](NCc1nnc(-c2cccc3ccccc23)o1)c1ccccc1 1473300560 SHFQGWYZIFEQDU-LJQANCHMSA-N 345.402 3.713 0 50 EHAA CC(=O)Nc1ccc2nc(CN(C)Cc3ccncc3C)ccc2c1 1506399834 JUDSVMNLDONATC-UHFFFAOYSA-N 334.423 3.529 0 50 EHAA Cc1cc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)ccc1Cl 1529167910 RCXCKRSBNWMFMM-WNKDZCFJSA-N 334.891 3.839 0 50 EHAA CC[C@H](C)C(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704326821 NYBCAEJDDCSAIQ-AWEZNQCLSA-N 326.440 3.604 0 50 EHAA COC(=O)c1ccc(-c2nccn2[C@@H]2CCCCCC[C@H]2O)cc1 1857696431 AAGRGKCPPMBWJC-IAGOWNOFSA-N 328.412 3.593 0 50 EHAA c1ccc(-n2ccnc2-c2cnsc2)c(OC[C@H]2CCCO2)c1 1857702196 DEVXEJGJBAHSNS-CQSZACIVSA-N 327.409 3.554 0 50 EHAA CC(C)(C)n1cc(/C=C/c2nc3cccc(C(=O)O)c3s2)nn1 2325791774 RTDNNLMJHZXJEZ-BQYQJAHWSA-N 328.397 3.511 0 50 EHAA CCCC[C@@H]1CN(CCn2cnc3ccccc32)C[C@H](C2CC2)O1 2356135442 FHQNXDSDIMCKQC-YLJYHZDGSA-N 327.472 3.706 0 50 EHAA CCCN1CCC[C@]2(CCCN2C(=O)c2cc(C)cc(Cl)c2)C1=O 2356151600 PNCOQOJVGZNBJQ-IBGZPJMESA-N 348.874 3.656 0 50 EHAA Clc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 72429 CZTJGYDBSNIXSQ-UHFFFAOYSA-N 340.814 3.863 0 50 EHAA COc1ccc(CCNC(=S)Nc2ccccc2C)cc1OC 139920 BNBSMOGECBEFOJ-UHFFFAOYSA-N 330.453 3.541 0 50 EHAA COC(=O)c1ccccc1OC(=O)Nc1cc(Cl)ccc1OC 398577 KJIPXGRVTRYDHY-UHFFFAOYSA-N 335.743 3.746 0 50 EHAA CC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 455303 NFCLNCWDGNFSAG-UHFFFAOYSA-N 332.787 3.624 0 50 EHAA Cc1cccc(C(=O)OCc2ccc(C(=O)OC(C)C)cc2)c1O 618186 GSVRACFPDIZTJV-UHFFFAOYSA-N 328.364 3.623 0 50 EHAA COc1ccc(OCCCC(=O)Nc2ccc(OC)c(OC)c2)cc1 1778204 JWMAOKPMXIQBJV-UHFFFAOYSA-N 345.395 3.510 0 50 EHAA COc1ccc([C@@H]2S[C@@H](C)C(=O)N2CCc2ccccc2)cc1 3098209 QZJQLPVMNWNFJI-LIRRHRJNSA-N 327.449 3.900 0 50 EHAA Cc1ccccc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 6741082 PJLSROGORFYARE-UHFFFAOYSA-N 338.495 3.722 0 50 EHAA COCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(C)(C)C3 9290247 HBOTZFRJTFUUFZ-UHFFFAOYSA-N 335.407 3.698 0 50 EHAA CC(=O)c1ccc(C(=O)N[C@@H]2CCCN(CC3CCCCC3)C2)cc1 12479602 SGZGHZXSYDMUOA-HXUWFJFHSA-N 342.483 3.664 0 50 EHAA COc1ccc2nc(Nc3nc(C)cc(C(F)(F)F)n3)nc(C)c2c1 17838273 MPDDQTRIAVAKDG-UHFFFAOYSA-N 349.316 3.808 0 50 EHAA COCc1noc(-c2ccc(N[C@H]3CCCc4ccccc43)nc2)n1 19220514 RDYYTEVZGPJIKX-INIZCTEOSA-N 336.395 3.768 0 50 EHAA Cn1nc(-c2cccnc2)c2[nH]c(-c3ccc4c(c3)CC(C)(C)O4)nc21 20998716 HHSBCGMPZYPLSL-UHFFFAOYSA-N 345.406 3.739 0 50 EHAA Cc1cccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 44932066 IMBFIIKKKONDRL-UHFFFAOYSA-N 340.442 3.663 0 50 EHAA c1ccc(-c2ccc(-c3nccn3CCN3CCOCC3)s2)cc1 67769494 BSTIAXDMYGLSIG-UHFFFAOYSA-N 339.464 3.611 0 50 EHAA COC(=O)CCCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71388630 JOQYQDGFRARWJT-OAHLLOKOSA-N 346.254 3.710 0 50 EHAA FC(F)(F)[C@@H]1CN(Cc2ccc3cccc(Cl)c3n2)CCO1 71754080 OQACKHRRZMVKHP-ZDUSSCGKSA-N 330.737 3.651 0 50 EHAA C[C@H](O)CN(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 72438663 GRAQQGQJDLBUCX-INIZCTEOSA-N 341.499 3.947 0 50 EHAA Cc1cc(N[C@@H](Cn2ccnc2)c2ccccc2)n2nc(C)c(C)c2n1 72439448 UOQLSLSXPJIIIO-SFHVURJKSA-N 346.438 3.704 0 50 EHAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@H](c2ncc[nH]2)C1 75553084 XMSXNYXFYSOKBL-NSHDSACASA-N 344.465 3.615 0 50 EHAA COCc1ccc(C(=O)N2CCC[C@@H](COc3cccc(C)c3)C2)o1 77436284 NRAYWYGGZPTOIO-MRXNPFEDSA-N 343.423 3.666 0 50 EHAA O=C(c1ccccc1)[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 77437300 BXASLFBBXLJJRL-SFHVURJKSA-N 333.431 3.840 0 50 EHAA CCN(CC)C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 91547583 DQCNKAYPOKMONS-SFHVURJKSA-N 340.471 3.918 0 50 EHAA O=C(CCCn1ccnc1)N1CCCC[C@@H]1CCc1cccs1 91646060 XKVVSWDERONMJL-MRXNPFEDSA-N 331.485 3.739 0 50 EHAA CN(C)CCN1C(=O)c2ccccc2Nc2cc(C(F)(F)F)ccc21 95918042 UFIBOSDNLWAAPL-UHFFFAOYSA-N 349.356 3.971 0 50 EHAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc(N(C)C)nc1 97436923 ADDGUJCVWNJVRM-QGZVFWFLSA-N 326.444 3.546 0 50 EHAA Cc1ccc(NC(=O)[C@H]2OCCc3ccccc32)cc1OCC(F)F 119218106 KGMHSJSOEQVMTP-SFHVURJKSA-N 347.361 3.891 0 50 EHAA COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)c(C)n1 127801792 PIABXIBCDTZPKH-UHFFFAOYSA-N 343.770 3.959 0 50 EHAA C[C@H](NC(=O)[C@H]1CCCO[C@@H]1c1ccccc1)c1nc2ccccc2[nH]1 170838603 MBPRFCFKVIDWOL-URLQWDBASA-N 349.434 3.908 0 50 EHAA Cc1c(C(=O)Nc2ccc(Cl)cc2F)cccc1N1CCNC1=O 172928777 IIIAZVPZMBDCGN-UHFFFAOYSA-N 347.777 3.569 0 50 EHAA Cc1csc([C@@H]2COCCN2Cc2ccccc2OC(F)F)n1 189265199 DXTWTIISPHUMSS-ZDUSSCGKSA-N 340.395 3.626 0 50 EHAA O=C(Nc1cnccc1-c1cccc(F)c1)c1ncc(F)cc1F 192380839 CMYLGUKKXZBBNR-UHFFFAOYSA-N 329.281 3.813 0 50 EHAA Cc1ccccc1[C@]1(O)CCN(Cc2ccc(-c3ccn[nH]3)s2)C1 215648647 RWIQRPKMJGGQOP-IBGZPJMESA-N 339.464 3.540 0 50 EHAA Oc1cccc(CN(Cc2cnc(N3CCCC3)s2)C2CC2)c1 215910173 DPCMAWIZYBQSQJ-UHFFFAOYSA-N 329.469 3.614 0 50 EHAA O[C@@H](CN1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1Cl 229912904 JUKXMLWUCHXNJI-CJNGLKHVSA-N 347.846 3.513 0 50 EHAA COc1cc(S(=O)(=O)Oc2cccc3cccnc23)ccc1Cl 231415610 MPDQNKMMUHJLNM-UHFFFAOYSA-N 349.795 3.665 0 50 EHAA CN(C)c1ccc(N[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cn1 239637053 BIOFVXQBHPEJCN-OWZKRDHZSA-N 336.483 3.755 0 50 EHAA CC[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1cccs1 252494341 NSMGLVIXVWKOGH-JONQDZQNSA-N 336.501 3.924 0 50 EHAA Cc1cc(C)n(-c2cccc(CN3CCC[C@H](c4cc[nH]n4)C3)c2)n1 252499364 RZIGRMPGEBCEKR-SFHVURJKSA-N 335.455 3.592 0 50 EHAA CN(CCN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253531175 NDAWUPLIPPNPGL-UTNDXIFNSA-N 348.575 3.649 0 50 EHAA biogenic Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 253599428 JWAKASCPSRZCSA-FHWLQOOXSA-N 341.430 3.515 0 50 EHAA COc1ccc2[nH]cc(CC(=O)N3CCC[C@H]3c3ccc(C)o3)c2c1 265274528 MPEDCYIPWAXREU-SFHVURJKSA-N 338.407 3.984 0 50 EHAA CCn1cc(C2CCN(C(=O)c3ccc(C(C)C)cc3O)CC2)cn1 265674017 FIPUYUVEEWPBJJ-UHFFFAOYSA-N 341.455 3.752 0 50 EHAA CC(C)Cn1cncc1CNC(=O)Nc1cccc(C(F)(F)F)c1 299762312 UAWKIYFUHFTDHM-UHFFFAOYSA-N 340.349 3.880 0 50 EHAA O=C(c1cc2[nH]ccc2s1)N(Cc1ccco1)C[C@H]1CCCO1 358900186 HZFCPZWHGHIBLI-CYBMUJFWSA-N 330.409 3.644 0 50 EHAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCCC[C@H]2c2ncc[nH]2)o1 377892234 BMFYHDBLLAFLLY-CJNGLKHVSA-N 330.432 3.569 0 50 EHAA O=C(NC1(c2csc([C@@H]3CCCO3)n2)CCCCC1)C(F)(F)F 408524396 TZAFVXLYIVCVFP-JTQLQIEISA-N 348.390 3.833 0 50 EHAA COc1ccc2[nH]c(CNC(=O)CCCc3cccs3)cc2c1 670455312 YZSIGXAXCUMISP-UHFFFAOYSA-N 328.437 3.877 0 50 EHAA COc1cccc([C@@H]2CCN(C(=O)NC3CCCCC3)C2)c1OC 824521406 UZROPIUZCVLJDN-CQSZACIVSA-N 332.444 3.535 0 50 EHAA CC(=O)c1c(F)cncc1N1Cc2ccccc2OC2(CCC2)C1 895243070 IDPXGZURZFXGAC-UHFFFAOYSA-N 326.371 3.745 0 50 EHAA CC(C)(C)OC(=O)[C@@H](c1nc(Cc2cccnc2)no1)C1CCCC1 952882792 JQJVWSNVTZXKQJ-MRXNPFEDSA-N 343.427 3.671 0 50 EHAA O=C(NC[C@@H]1CC[C@]2(C1)CC2(F)F)c1c[nH]nc1-c1ccccc1 1875298935 SNLUNGSBNIHVMR-PXAZEXFGSA-N 331.366 3.632 0 50 EHAA Cc1cc(C)c2c(n1)CCC[C@@H]2NCCc1nnc(-c2ccccc2)o1 2325756283 WJOMKLQRTDBNJH-KRWDZBQOSA-N 348.450 3.958 0 50 EHAA COc1cccc(CNC(=O)NC[C@@H]2CCCc3ccccc32)c1F 2325842749 HHUXGGLHBLTMMO-HNNXBMFYSA-N 342.414 3.754 0 50 EHAA COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2N)cc1 151035 KDCPILLTXDCZTJ-UHFFFAOYSA-N 346.843 3.613 0 50 EHAA CCOc1ccc(CN2CCN(c3ccccc3OCC)CC2)cc1 293852 XFSRUESZAFQHJI-UHFFFAOYSA-N 340.467 3.806 0 50 EHAA COc1cc(C(=O)Nc2cccc3cccnc23)cc(OC)c1OC 384126 KDVVELTYOWGAFG-UHFFFAOYSA-N 338.363 3.513 0 50 EHAA CCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1OCC 434554 HUDJPAOQYAKWJS-UHFFFAOYSA-N 327.380 3.939 0 50 EHAA O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1F 452336 GFCNSTYXAHGASW-UHFFFAOYSA-N 342.317 3.971 0 50 EHAA CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCCO 1778650 UKSSMOYBPPWYMN-UHFFFAOYSA-N 343.210 3.513 0 50 EHAA Cc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 2360327 VIGSVSWWWYCFKE-UHFFFAOYSA-N 337.206 3.557 0 50 EHAA COc1ccc(OC)c(NC(=O)c2c(N)sc3c2CCCCC3)c1 2994191 JRBHDSDSJUHQSK-UHFFFAOYSA-N 346.452 3.869 0 50 EHAA Cc1cccc(Nc2ncnc3c2c(C)c(C)n3-c2cccnc2)n1 5348313 FDIAHGTXAQDCGY-UHFFFAOYSA-N 330.395 3.879 0 50 EHAA COc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 8160510 ROEGILVRBNYKQR-GOSISDBHSA-N 327.380 3.505 0 50 EHAA CCOc1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 9062772 UPTOKXPMPKXHHZ-UHFFFAOYSA-N 338.451 3.936 0 50 EHAA CC1(C)C[C@H](NS(=O)(=O)Cc2ccc(F)cc2)c2ccccc2O1 10544190 FUGPIPSSXVJSPB-INIZCTEOSA-N 349.427 3.548 0 50 EHAA OC[C@H]1CCCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)C1 13497382 MTROIGXNHBRXPK-HNNXBMFYSA-N 342.464 3.880 0 50 EHAA CC(C)c1ccc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc1 13598731 IKXHTBFSBPXKLR-IBGZPJMESA-N 349.386 3.907 0 50 EHAA CC(C)(C)C(=O)N1CCC(n2c(C3CCC3)nc3cccnc32)CC1 15073076 KZOHCEXRVRCHMG-UHFFFAOYSA-N 340.471 3.908 0 50 EHAA Cc1ccc(OCCOCCN2C[C@@H](C)O[C@H](C)C2)c(C(C)(C)C)c1 20167878 KPEJMMOWDXLDCV-QZTJIDSGSA-N 349.515 3.797 0 50 EHAA CCO[C@@H]1Oc2ccc(C)cc2C(=O)/C1=C\Nc1ccccc1O 23115583 GOSLQEDDFZDXTC-FIIODCPWSA-N 325.364 3.634 0 50 EHAA 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341.455 3.797 0 50 EHAA C[C@H](NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1N)c1cccc(Cl)c1Cl 262611290 BAUQEYBRMBCXOB-VKZZYBESSA-N 327.255 3.544 0 50 EHAA Cc1ncc2c(n1)[C@@]1(CCCN(C/C=C/c3ccc(F)cc3)C1)CC2 1704331257 QEJDHQUORGCPCJ-XAFBZQIESA-N 337.442 3.917 0 50 EHAA Cc1cc(Cl)cc2cc(-c3noc(-c4cc(=O)cc[nH]4)n3)oc12 1875336665 FATGFVCQSRABNT-UHFFFAOYSA-N 327.727 3.800 0 50 EHAA O=C(O)C[C@H]1C[C@@H](C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)C1 2325796060 QGPDSNHKTZUFED-KLHJMIIUSA-N 349.430 3.662 0 50 EHAA CC(C)N1CCc2onc(C(=O)Nc3csc4ccccc34)c2C1 2325804931 DJXDEFXTCSGLNA-UHFFFAOYSA-N 341.436 3.908 0 50 EHAA CN(Cc1ccc(Cl)cc1Cl)c1nc2ccccc2c(=N)[nH]1 2325824991 YLIQMPWEOSYVNP-UHFFFAOYSA-N 333.222 3.986 0 50 EHAA Cc1ccc(-c2nn(C)cc2CNCc2ccc3c(c2)C[C@@H](C)O3)o1 922702157 WEERBFLMBWTXSI-CQSZACIVSA-N 337.423 3.602 0 50 EHAA Cc1cccc(OC(=O)Cn2c(=O)sc3cccc(Cl)c32)c1 404978 OEOQJPPMWUXQSH-UHFFFAOYSA-N 333.796 3.630 0 50 EHAA O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)OCO2 568441 ZKPIFTIJAUPDEP-UHFFFAOYSA-N 338.407 3.654 0 50 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CCC1(CC)CNC(=O)[C@@H]1NCc1ccc([C@H](C)C(F)(F)F)cc1 1460823859 DPFXSSNGHDODBO-WFASDCNBSA-N 342.405 3.747 0 50 EHAA O=C1C[C@H](c2ccccc2Br)c2cc3c(cc2N1)OCO3 94932 DYWNELZDNFLKEV-SNVBAGLBSA-N 346.180 3.652 0 50 EHAA Cc1cc(NC(=S)NC(=O)CC(C)C)ccc1Br 359650 MDTVBIKZWJRUCB-UHFFFAOYSA-N 329.263 3.617 0 50 EHAA COc1cc(OC)c(NC(=O)COc2ccc(C)cc2C)cc1Cl 363064 STKZSZDGPDDAPA-UHFFFAOYSA-N 349.814 3.992 0 50 EHAA Cc1nn(-c2ccccc2)c2c1[C@@H](O)n1c(nc3ccccc31)S2 405958 SBMNGBYQULPGSK-MRXNPFEDSA-N 334.404 3.534 0 50 EHAA NC(=O)c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1Cl 484066 ULODHURADGYTOX-UHFFFAOYSA-N 343.597 3.998 0 50 EHAA COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)on1 1061589 WUGWWBSPWDUPFF-UHFFFAOYSA-N 336.347 3.689 0 50 EHAA CCCCOc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 3002402 KODARMQEELQSOL-UHFFFAOYSA-N 327.380 3.889 0 50 EHAA CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@@H](c2ccccc2Cl)NC(=O)N1 4580196 MXVHDCQSVCRVKH-QSGSBWRWSA-N 348.830 3.700 0 50 EHAA CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cn1 6706768 SJFDCLVBDJCYOR-UHFFFAOYSA-N 347.223 3.588 0 50 EHAA Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@H](c1ccco1)C2 8992858 NQZVXUIDMFJEHC-GFCCVEGCSA-N 332.363 3.563 0 50 EHAA O=C(NC[C@H]1CCc2ccccc2O1)c1ccc2nc(C3CC3)oc2c1 12455832 GVCDFUIEOCPMPO-MRXNPFEDSA-N 348.402 3.829 0 50 EHAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H](NC(=O)C2CCC2)C1 12588278 SKRCWORXWKAUJA-QGZVFWFLSA-N 341.430 3.941 0 50 EHAA COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cnc(C)s2)C1 19792446 DKCSDHNRKBEQHY-ZDUSSCGKSA-N 348.443 3.694 0 50 EHAA CC(C)(c1ccccc1)c1ccc(OCCN2CCOCC2)cc1 20059628 JNDONVBYUGJASL-UHFFFAOYSA-N 325.452 3.724 0 50 EHAA CCCCN1CCN(CCCC)[C@H](C(=O)Nc2c(C)cccc2C)C1 22864004 SKJYXFYNQICALD-IBGZPJMESA-N 345.531 3.828 0 50 EHAA Cc1ccccc1N1CCN(CCOc2cccc(Cl)c2)CC1 55180350 SIDCYYAODNDMQE-UHFFFAOYSA-N 330.859 3.849 0 50 EHAA Cc1ccc(CN2CCC(CNC(=O)c3ccco3)CC2)cc1C 67541279 NCMAHLJFMKUSEE-UHFFFAOYSA-N 326.440 3.538 0 50 EHAA CCc1ccccc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 67774590 RDNSRZCKSVSUPA-UHFFFAOYSA-N 349.409 3.789 0 50 EHAA 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Cc1ccccc1C[C@H](CO)CN[C@@H](CC(C)C)c1ccncc1 2325754831 XENUBSPVMZNUBO-RXVVDRJESA-N 326.484 3.918 0 50 EHAA O=C(Nc1ccc(Cl)c2ncccc12)N[C@H]1CC[C@H]2CC[C@H]1O2 2325781381 LOBOPZIHDYFEFC-NZVBXONLSA-N 331.803 3.720 0 50 EHAA O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1c(Cl)ccc2ccoc12 2325821444 OYIIDEZSYSZZJK-CQSZACIVSA-N 347.773 3.559 0 50 EHAA O=C(NCc1ccccc1OC(F)(F)F)NC[C@H]1CCC2(CC2)C1 2325842703 GAIXORXBDAGBIU-LBPRGKRZSA-N 342.361 3.965 0 50 EHAA CN1CCN(C(=O)NC[C@H]2CCCC(C)(C)C2)C[C@H]1c1cccs1 2325842852 KRTNGFZJBIERQH-HOTGVXAUSA-N 349.544 3.963 0 50 EHAA CN(Cc1cccc(Br)c1)C1=NC[C@@H](c2ccccc2)N1 2325864105 HAJPIMAKEITWBA-INIZCTEOSA-N 344.256 3.581 0 50 EHAA O=c1c(-c2cccs2)c(O)[nH]c2ccc(-c3cncc(O)c3)cc12 2356147787 PDVAJAIPWSCMQI-UHFFFAOYSA-N 336.372 3.730 0 50 EHAA COC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 256644 MVBSJTBKFFPJBX-UHFFFAOYSA-N 329.359 3.850 0 50 EHAA COc1ccc(COc2ccc(CC(=O)O)cc2Cl)cc1OC 392284 GFSDMJUENYBTBP-UHFFFAOYSA-N 336.771 3.563 0 50 EHAA COC(=O)c1ccccc1OC(=O)Nc1ccc(OC)cc1Cl 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COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 6703939 CZOAEYMKLIMBBP-UHFFFAOYSA-N 338.407 3.574 0 50 EHAA O=C(NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1)c1cccs1 12152937 OIHUVWSKSZSJAQ-HNNXBMFYSA-N 336.416 3.544 0 50 EHAA CSCc1ccc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)o1 12585952 AZWURYSNVASDSZ-HNNXBMFYSA-N 348.443 3.998 0 50 EHAA CCOc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1 15860237 SZCPIGYVCIKMIS-GOSISDBHSA-N 342.439 3.554 0 50 EHAA Cc1ccc(OCCCN2CCN(C)CC2)c(Cc2ccccc2)c1 20639824 HHLRJOOTBKFIGS-UHFFFAOYSA-N 338.495 3.602 0 50 EHAA CC(=O)c1cccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c1 21660229 VUUYJJNONUABJT-UHFFFAOYSA-N 345.708 3.547 0 50 EHAA COc1cc(OC)c(-c2nnc(-c3cccc(F)c3)o2)cc1OC 23279684 QOYORDLALIJYRC-UHFFFAOYSA-N 330.315 3.569 0 50 EHAA COc1ccc(-c2nc([C@H]3CC(=O)N(C4CCCC4)C3)[nH]c2C)cc1 23337427 XLXHUASUHDZAQT-HNNXBMFYSA-N 339.439 3.652 0 50 EHAA Cc1cc2ccccc2n1CCC(=O)NCCCC[C@H]1CCCO1 55404211 BKIXJMAKZMIZGS-SFHVURJKSA-N 328.456 3.805 0 50 EHAA COc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccccc1 65365048 KZKIOARHWXEYBY-INIZCTEOSA-N 333.391 3.663 0 50 EHAA CC(C)Cc1nc(-c2snnc2C(C)C)n(-c2ccccn2)n1 65371265 JUYMFXOGSHFCSF-UHFFFAOYSA-N 328.445 3.503 0 50 EHAA COc1cc2c(cc1O)NC(=O)C[C@H]2c1c[nH]nc1C1CCCCC1 67896445 XVACLYPNDGOULG-GFCCVEGCSA-N 341.411 3.646 0 50 EHAA CC(C)n1cc(NC(=O)N2CCCC[C@@H]2CCc2ccccn2)cn1 97360296 IIPMPINIGMXTKP-GOSISDBHSA-N 341.459 3.878 0 50 EHAA Cc1cccc(OC[C@H]2CCCN(C(=O)Nc3cccnc3)C2)c1 97730128 OISWPEWJVIKVOV-INIZCTEOSA-N 325.412 3.713 0 50 EHAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 100641364 WHPLJLKGBSEJLK-XMUKKISLSA-N 343.732 3.894 0 50 EHAA Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC=C(c2cccs2)CC1 120041604 GIDIIGMCCYZEBU-LBPRGKRZSA-N 345.468 3.955 0 50 EHAA CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc3c(c2)CCC3)c1 120463560 VHJGKDYFJPXFTH-UHFFFAOYSA-N 342.826 3.783 0 50 EHAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cn2)c1 129715019 OBKNXXOBIMOMIA-UHFFFAOYSA-N 338.194 3.989 0 50 EHAA Cc1cccnc1[C@H](NC(=O)N1CCc2sccc2C1)C(C)C 172075807 OESSUDAJBFXSQG-MRXNPFEDSA-N 329.469 3.917 0 50 EHAA Cc1nc2ccccc2cc1C(=O)N1CCCN(C2CCCC2)CC1 172419256 JAISHYFVKROVBZ-UHFFFAOYSA-N 337.467 3.634 0 50 EHAA CCc1nnsc1C(=O)Nc1cnccc1-c1cccc(F)c1 177535438 JBUWYQONDHFBPQ-UHFFFAOYSA-N 328.372 3.554 0 50 EHAA COc1cc(N[C@H]2CCCN(Cc3ncc(C)s3)C2)cc(OC)c1 180607988 RJWPDSYVHGCPRZ-AWEZNQCLSA-N 347.484 3.545 0 50 EHAA O=C(Cc1cnc2ccccc2c1)N(CC(F)(F)F)c1ccccn1 188665747 XMQMEZNIVJKEDK-UHFFFAOYSA-N 345.324 3.768 0 50 EHAA O=C(c1ccccn1)[C@H]1CCCN(Cc2cn[nH]c2-c2ccccc2)C1 216036532 MWGAPCJLOGUGLZ-KRWDZBQOSA-N 346.434 3.567 0 50 EHAA Cc1cc([C@H]2CCCCN2Cc2cnc(-c3ccccn3)nc2)no1 216436878 ABRQHOISZSALNT-GOSISDBHSA-N 335.411 3.562 0 50 EHAA CC[C@@H](C)NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 247024569 DJGOJVTYDJZUJA-PXAZEXFGSA-N 334.510 3.672 0 50 EHAA Cc1cnn(C[C@@H]2CCCN2C(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1 253599297 HKSTYPDAYWHVIN-RYRKJORJSA-N 341.455 3.532 0 50 EHAA Cn1ccnc1[C@H]1OCC[C@@H]1NC1CCC(C)(c2ccccc2)CC1 275443419 GBFQSOYJXAMXIT-JMDAGXMHSA-N 339.483 3.740 0 50 EHAA CC(C)c1nn(C)cc1NC(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 280655477 CQHYAGDKUORANC-WFASDCNBSA-N 348.472 3.599 0 50 EHAA CO[C@@](C)(c1nc(-c2ccc(Oc3ncccn3)cc2)no1)C1CC1 291072659 LZHXPVMMQNCYFQ-GOSISDBHSA-N 338.367 3.591 0 50 EHAA CCCCc1ccc(NC(=O)NCc2noc([C@@H]3CCCO3)n2)cc1 299757376 IKYIZALFMMUOJW-HNNXBMFYSA-N 344.415 3.585 0 50 EHAA C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CC1OCCCO1 330031760 CWHJJHUFRGJFHU-JTQLQIEISA-N 344.238 3.592 0 50 EHAA O=C(Cc1coc2ccccc12)N1CCCCC[C@H]1c1ncon1 376051540 XTKCUYRVUTXSBL-HNNXBMFYSA-N 325.368 3.502 0 50 EHAA Cc1cc2ccccc2n1CCN(C)C(=O)NC(C1CC1)C1CC1 426408948 NEBHCQNRZSXAJK-UHFFFAOYSA-N 325.456 3.780 0 50 EHAA CNC(=O)c1ccnc(-c2cccc(OCc3ccc(F)cc3)c2)c1 426518632 BPNQHTDPHFGDCB-UHFFFAOYSA-N 336.366 3.826 0 50 EHAA O=C(OCC[C@@H]1CCOC1)c1cc(-c2ccncc2)nc2ccccc12 816444217 GZNHCPXNUURBDO-HNNXBMFYSA-N 348.402 3.880 0 50 EHAA Cc1csc(SCC(=O)Nc2ccccc2CN2CCCC2)n1 828075189 RPYUWNZFQXFCFS-UHFFFAOYSA-N 347.509 3.778 0 50 EHAA CCSCc1ccc(C(=O)N2CC(c3nc(C)cc(C)n3)C2)cc1 863981736 KFLHJCKVNAMQFU-UHFFFAOYSA-N 341.480 3.586 0 50 EHAA COC[C@@H](C)CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 920888096 RTQKXTRZGOCJSC-INIZCTEOSA-N 349.434 3.552 0 50 EHAA Cc1cc(N2CCC3(Cc4ccccc4C3)C2)nc(-c2ccncc2)n1 2325710835 POMVEZRMBONGFB-UHFFFAOYSA-N 342.446 3.842 0 50 EHAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccn1 83827 OCTMCARSHRCCNV-UHFFFAOYSA-N 345.761 3.768 0 50 EHAA Cc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nnnn21 222841 GRIAHVJZIQYPQW-HZPDHXFCSA-N 325.803 3.781 0 50 EHAA C[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 455582 RJAAJWTUVISGCN-MRXNPFEDSA-N 340.442 3.915 0 50 EHAA Cc1ccccc1OCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 619656 VDHKMRWRKZBDOR-UHFFFAOYSA-N 340.423 3.541 0 50 EHAA COc1ccc(Cl)cc1NC(=O)Oc1ccc(C=O)cc1OC 1738283 COIRYGSZLRMJSC-UHFFFAOYSA-N 335.743 3.781 0 50 EHAA CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CNC 1844839 IKACRWYHQXOSGM-UTKZUKDTSA-N 325.452 3.933 0 50 EHAA endogenous,in-man C[C@H](CN1CCCC1)Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O 2356145849 KYBWPDSPBDDBAN-LLVKDONJSA-N 349.818 3.589 0 50 EHAA CCCCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 2998359 LHGLGVCVMPUOMO-UHFFFAOYSA-N 335.425 3.675 0 50 EHAA COc1cccc(OC)c1C(=O)Nc1ccc2nc(C)sc2c1 6668216 ZQJIOMNQOVOZEM-UHFFFAOYSA-N 328.393 3.874 0 50 EHAA COc1cccc(NC(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)c1 6715465 GEERDGDVLJQTNI-MRXNPFEDSA-N 339.439 3.746 0 50 EHAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(-c2cccs2)s1 248163024 YOACYIMJWBLZJL-CHWSQXEVSA-N 347.509 3.570 0 50 EHAA Cc1c(-c2ccc(F)cc2)[n+](=O)c(-c2ccc(F)cc2)c(C)n1O 104272090 NXTUMCLUFSYGJC-UHFFFAOYSA-N 329.326 3.869 0 50 EHAA O=S(=O)(c1ccc(F)cc1F)N1CC=C(c2cccs2)CC1 117932222 TUWVFYAYVBMUPN-UHFFFAOYSA-N 341.404 3.504 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)C(=O)CCc2ccc(F)c(F)c2)c1 55054174 ITQHLCXHQLYZCL-CQSZACIVSA-N 332.394 3.690 0 50 EHAA CSc1ncc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cn1 55183399 QWIDOAURXHAGAI-CYBMUJFWSA-N 339.468 3.543 0 50 EHAA CC(=O)N[C@H]1C[C@@H](/C=C/c2ccccc2)O[C@@H](Cc2ccccc2)C1 65375861 QUVIWLDFVFZEIK-YCWBKLQFSA-N 335.447 3.995 0 50 EHAA O=C(N[C@@H]1CCOc2ccccc21)[C@H]1C[C@H]1c1ccc(F)cc1F 246763970 OBGBBNLGFPJXBM-YQQAZPJKSA-N 329.346 3.708 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 344791255 SSFVIBOJUVPYEQ-PXAZEXFGSA-N 329.419 3.503 0 50 EHAA Cc1nc(CC(C)C)c(NC(=O)Cc2n[nH]c3ccccc23)s1 119424947 FZGIRSRRRQLCNW-UHFFFAOYSA-N 328.441 3.708 0 50 EHAA CCC(CC)n1ncc(C(=O)N[C@H]2COc3cccc(F)c32)c1C 252536090 HPAHVXRWSAXQJG-HNNXBMFYSA-N 331.391 3.555 0 50 EHAA O=C(CCCc1c[nH]c2ccccc12)N1CC[C@](O)(c2ccccc2)C1 219922425 ZVHJFRFOKMVCPP-JOCHJYFZSA-N 348.446 3.611 0 50 EHAA C[C@@H](CC(=O)N1CCC(C(=O)O)CC1)c1cccc(C(F)(F)F)c1 237314516 HFHGFWWUMKEJLZ-NSHDSACASA-N 343.345 3.522 0 50 EHAA Cc1cc(-n2nc(C)cc2NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)nc(C)n1 333902649 TYKHLJLEWGFFAG-MQIPJXDCSA-N 341.459 3.598 0 50 EHAA Cc1ccc([C@H](NC(=O)CCc2ccncc2)c2cccnc2)c(C)c1 97744581 SGEGETUBKNBKKR-JOCHJYFZSA-N 345.446 3.932 0 50 EHAA O=C(c1ccn(C(F)F)n1)N1CCCC[C@@H]1CCc1cccs1 95358936 YSYDNFGUMIUQKJ-GFCCVEGCSA-N 339.411 3.967 0 50 EHAA Cc1nc(CCN(C)C(=O)c2ccc(-c3ccccc3Cl)o2)no1 91770141 LRGZWNDZUILTNJ-UHFFFAOYSA-N 345.786 3.606 0 50 EHAA O=C(CCN1CCCCC[C@H]1c1ccco1)NCc1cccs1 244795855 RORRMDCYGWMBQX-INIZCTEOSA-N 332.469 3.965 0 50 EHAA Cc1cc(C)n(-c2ccc(NC(=O)N3CCC(F)(F)CC3)cc2)n1 244626751 FSDIVOZIKALPTG-UHFFFAOYSA-N 334.370 3.752 0 50 EHAA Cn1cc([C@@H](Nc2ccnc3ccc(Cl)cc23)[C@H]2C[C@H](O)C2)cn1 244659688 HHGPYJZGPOUZQY-MIUNTBIASA-N 342.830 3.546 0 50 EHAA Cc1ccccc1C(=O)NCc1ncc(C(F)(F)F)cc1Cl 263639831 KWPDITAPRJLIDY-UHFFFAOYSA-N 328.721 3.992 0 50 EHAA Nc1cc(Br)c(Br)c(OC(F)(F)F)c1 263623201 FPAVDUNRUNCHGG-UHFFFAOYSA-N 334.917 3.692 0 50 EHAA CCCN(Cc1nccn1C)C(=O)N[C@@H](C)c1ccc(OCC)cc1 534642941 QVWRSWMQJICMPO-HNNXBMFYSA-N 344.459 3.502 0 50 EHAA CCCNC(=O)c1ccc(C)c(NC(=O)c2cccc(C)c2OC)c1 952972387 ZWZUTXYBYIJQSJ-UHFFFAOYSA-N 340.423 3.704 0 50 EHAA COc1ccc2[nH]cc(CC(=O)Nc3cnn([C@@H](C)C4CC4)c3)c2c1 186472479 PDPPBARMGMBJDE-LBPRGKRZSA-N 338.411 3.525 0 50 EHAA CC(=O)Nc1sc(NC(=O)c2ccco2)nc1-c1ccccc1 187022878 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343.404 3.658 0 50 EHAA Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1 156769 LDWGYAHJXWYJSA-UHFFFAOYSA-N 344.827 3.506 0 50 EHAA O=C(Nc1ccc(F)cc1)c1cccc(I)c1 272940 ZBAREPDXMCIGRV-UHFFFAOYSA-N 341.123 3.683 0 50 EHAA O=C(c1cc2ccccc2oc1=O)N1CCC(Cc2ccccc2)CC1 476623 IJLJATNZOLZINA-UHFFFAOYSA-N 347.414 3.888 0 50 EHAA COc1cc(OC)c(-c2nc(-c3ccc(C)cc3)no2)cc1OC 496499 QJVCYPQKOAGSQN-UHFFFAOYSA-N 326.352 3.738 0 50 EHAA CCCOc1ccccc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCCO3 4195631 QOKJGJANOBIACH-AWEZNQCLSA-N 339.391 3.721 0 50 EHAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2C12CC2 101376719 ABXRCSKKLJPHJQ-JYILRKAJSA-N 334.202 3.695 0 50 EHAA CCN(/C=C1\C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21)CC 100518218 BJZMLOSRCZHBFQ-RGEXLXHISA-N 334.419 3.865 0 50 EHAA N[C@H]1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 100006171 RNVLKSOXBSATJW-GASCZTMLSA-N 336.435 3.795 0 50 EHAA COc1ccccc1-c1cccc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c1 65461625 HGWDEFGJTHEJIU-AWEZNQCLSA-N 349.434 3.755 0 50 EHAA 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COc1cncc(-c2cccc(C(=O)N3C[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3)c2)c1 426615172 PDVAODFRCWKWQT-LPTDTENNSA-N 348.446 3.875 0 50 EHAA O=C(O)c1ccc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 263571673 JRMXUUVFAIEQRF-KRWDZBQOSA-N 341.382 3.619 0 50 EHAA CCC[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1nccn1C 223307705 VWMNFLLHFXBWDB-CQSZACIVSA-N 339.361 3.639 0 50 EHAA Cc1cc2n(n1)CCCN(C(=O)[C@@H](C)Oc1ccc3ccccc3c1)C2 91974249 UVXIXBTWMVCNDL-MRXNPFEDSA-N 349.434 3.545 0 50 EHAA Cn1c(-c2ccccc2)cn(CC(=O)c2cccc(Cl)c2)c1=N 334157506 DDIZHOIIWSSGJN-UHFFFAOYSA-N 325.799 3.509 0 50 EHAA Cc1ccc([C@H](Cn2cc(-c3cccc(F)c3C)nn2)N(C)C)o1 91440182 CDHCAZBGFKVEMV-KRWDZBQOSA-N 328.391 3.597 0 50 EHAA O=C(C1CC1)N1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2 95366821 PCQNXXHIKCHRAX-LJQANCHMSA-N 338.495 3.657 0 50 EHAA CSc1ccccc1C(=O)N1CC[C@H](Cc2ccc(CO)cc2)C1 91871940 MPBJFHTYQLAENA-QGZVFWFLSA-N 341.476 3.606 0 50 EHAA C[C@H](c1nc2ccccc2o1)N1CCC(c2nnc3ccccn23)CC1 181108795 QKXGSPNMCAYZFO-CQSZACIVSA-N 347.422 3.811 0 50 EHAA Cc1cc([C@H]2CCCN2CCC(=O)Nc2ccc3c(c2)CCC3)on1 252496992 PXFSFCUIIWHBBB-GOSISDBHSA-N 339.439 3.637 0 50 EHAA Cc1ccccc1C1(CNC(=O)c2scnc2C(F)(F)F)CC1 298531961 ANLYNNNVPDCASH-UHFFFAOYSA-N 340.370 3.932 0 50 EHAA CCn1ccnc1CN1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 43103022 HSZZKKSFONNSNH-OAHLLOKOSA-N 345.874 3.960 0 50 EHAA Cc1ccc(NC(=O)NC2(c3nnc(N)s3)CCCCC2)c(C)c1 299774695 FVIDWHOHJCANMC-UHFFFAOYSA-N 345.472 3.718 0 50 EHAA O=C(O)C[C@@H](CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1 888104079 AGIGWTIPFQCCNB-AWEZNQCLSA-N 329.783 3.554 0 50 EHAA O=C(Cc1ccoc1)Nc1ccc2nc(N3CCCC3)sc2c1 185171367 MJYQXBLTVIMKEI-UHFFFAOYSA-N 327.409 3.671 0 50 EHAA CN1CCC([C@H]2CCN(C(=O)Nc3ccsc3Cl)C2)CC1 275609383 IEBNBZMOKRCNGI-LBPRGKRZSA-N 327.881 3.597 0 50 EHAA C[C@H](C(=O)N1CCC[C@@H]1c1ccc(F)cc1)[C@@H](N)c1ccccc1 170048684 WAMLNCSTJCKBBF-GDIGMMSISA-N 326.415 3.825 0 50 EHAA COCC1(C2CCC2)CN(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)C1 664810486 ONSOLGKVXYGREA-SAABIXHNSA-N 342.483 3.699 0 50 EHAA CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 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50 EHAA CC(C)(C)C(=O)Nc1ccccc1-c1cnn([C@@H]2CCCCO2)n1 1875336042 QSHDHMAFPLBMGV-INIZCTEOSA-N 328.416 3.629 0 50 EHAA CCOC(=O)[C@@H]1CCC[C@H](NC(=O)NCc2cccc(C(C)C)c2)C1 1875353663 BJWJEYQAYNNFME-MSOLQXFVSA-N 346.471 3.731 0 50 EHAA COc1ccc([C@@H]2CC(=O)Nc3cc(C)c(C)cc32)c(OC)c1OC 129825 LCPRBMFHZAGOIJ-AWEZNQCLSA-N 341.407 3.803 0 50 EHAA O=C1C[C@H](c2c(F)cccc2Cl)c2c(c3ccccc3[nH]c2=O)O1 4387075 IUYLEJHEWREHMT-SNVBAGLBSA-N 343.741 3.762 0 50 EHAA C[C@@H](NC(=O)c1ccc2nc(N(C)C)oc2c1)c1cccc2cc[nH]c12 2325822795 PNCRHNWCARIYET-GFCCVEGCSA-N 348.406 3.866 0 50 EHAA Cc1ccc2c(NC[C@@H]3CN(C4CC4)C(=O)O3)ccnc2c1Cl 2325824761 PIUJKEUESDGIMR-GFCCVEGCSA-N 331.803 3.592 0 50 EHAA Fc1cnc(N[C@@H]2CC[C@H]3CNCC[C@H]3C2)nc1-c1ccsc1 2325838921 CUNPTYVTUPMCFB-SGMGOOAPSA-N 332.448 3.534 0 50 EHAA O=C(OCCc1cn2ccccc2n1)c1cccc(CC(F)(F)F)c1 2325870227 NSSAIWIQFLIFOM-UHFFFAOYSA-N 348.324 3.839 0 50 EHAA Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N(C)C)cc1 8769 COBZNZXUZBBVSG-UHFFFAOYSA-N 342.420 3.549 0 50 EHAA C[C@H](Oc1cccc(Br)c1)C(=O)NCc1ccccc1 150352 CCKOUPFQDUETQW-LBPRGKRZSA-N 334.213 3.533 0 50 EHAA COC(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1 470096 FZKGLPPAQQAFKY-UHFFFAOYSA-N 329.421 3.903 0 50 EHAA CCOc1ccccc1NC(=O)Nc1ccc(N(C)C(C)=O)cc1 610781 BGRQMHQXJWDJFQ-UHFFFAOYSA-N 327.384 3.712 0 50 EHAA COc1ccccc1Cc1nc(CCC=C(C)C)n([C@H]2CCOC2)n1 2356156839 SWRJHIRRVHEPIR-KRWDZBQOSA-N 341.455 3.738 0 50 EHAA CCCOC(=O)c1c(NC(=O)c2ccncc2)sc2c1CCCC2 2762517 OFSGIASIWMFHRT-UHFFFAOYSA-N 344.436 3.841 0 50 EHAA CN(Cc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356160154 FXONYHJYESIQDG-SXLOBPIMSA-N 346.474 3.604 0 50 EHAA CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 2951327 RUKMXPIJJQVDKH-UHFFFAOYSA-N 333.771 3.778 0 50 EHAA C[C@H]1C[C@@H](C)CN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 4744298 FNBMJZIPZAPMMH-GASCZTMLSA-N 334.891 3.923 0 50 EHAA O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccnc2)cc1 4870292 HWQNCHCHXPQHDJ-UHFFFAOYSA-N 331.375 3.515 0 50 EHAA CCC(=O)Nc1cccc(OC(=O)c2ccc(Br)o2)c1 8723030 RKJYZNOMXVEBRH-UHFFFAOYSA-N 338.157 3.610 0 50 EHAA C[C@H](c1nccs1)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 225333183 GZIGCTMCUANSDW-KGLIPLIRSA-N 339.505 3.783 0 50 EHAA Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(-c4ncn[nH]4)c3)C2)cc1 225643558 OUEVHXYWEPVMQJ-BEFAXECRSA-N 346.434 3.798 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](CCc3ccccc3C)C2)nc(C)n1 12112138 NWMCAFCTQOYACE-SFHVURJKSA-N 337.467 3.887 0 50 EHAA Cc1nc([C@@H](N)c2ccccc2Cl)n(-c2cccc3cccnc23)n1 67921673 VJCPQSPHIUNPSV-KRWDZBQOSA-N 349.825 3.825 0 50 EHAA CCCCc1nc(CN(C)Cc2nc(-c3cccc(C)c3)no2)c[nH]1 63855354 UGIHOLADTNWZKP-UHFFFAOYSA-N 339.443 3.743 0 50 EHAA CCOc1nc(C)ccc1C(=O)Nc1cc(Cl)ccc1NC(C)=O 252503097 UYILTCHDUZKLOC-UHFFFAOYSA-N 347.802 3.653 0 50 EHAA O=C(Nc1ccc(OC(F)(F)F)cc1)C(=O)c1c[nH]c2ccccc12 2543530 YSPOMFMQKSOTQT-UHFFFAOYSA-N 348.280 3.888 0 50 EHAA C[C@@H]1C[C@@H]1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 5881033 RNKKSIVKJCYTKH-UTKZUKDTSA-N 349.474 3.817 0 50 EHAA C[C@@H]1C[C@H]1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 5881046 RNKKSIVKJCYTKH-DYESRHJHSA-N 349.474 3.817 0 50 EHAA CCCn1ccnc1CNc1cc(-c2ccccc2)nc2ccnn12 72125580 CQTZZTXKEDRXPN-UHFFFAOYSA-N 332.411 3.615 0 50 EHAA CC[C@H]1c2ccsc2CCN1C(=O)c1cnc(C(F)(F)F)nc1 154746339 RRPIHNGKZJRHGX-NSHDSACASA-N 341.358 3.707 0 50 EHAA c1cc(C2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)[nH]n1 215429349 BLKZMVXLOPDCPN-UHFFFAOYSA-N 325.460 3.627 0 50 EHAA O=C(CCCc1cn[nH]c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71776756 QZJZORBTXSUJMU-KRWDZBQOSA-N 343.446 3.743 0 50 EHAA C/C(=C\C(=O)O[C@H]1C(=O)OCC1(C)C)c1cccc(C(F)(F)F)c1 174184829 GZOJICFNGMHUKB-RNVIBTMRSA-N 342.313 3.604 0 50 EHAA Cc1ccc(F)c(CN2CCC[C@@H](CN3CCCC3=O)C2)c1Cl 97528948 ZNRWKMSFWCBVAR-CQSZACIVSA-N 338.854 3.622 0 50 EHAA CC(C)(C)OC(=O)NCc1c[nH]c2ccc(Br)cc12 149849514 JRVZFCXXHJFFNB-UHFFFAOYSA-N 325.206 3.955 0 50 EHAA C[C@@H](c1ccc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)o1)N1CCCCC1 97547838 STHZSMHRBTYMBI-IECFSIQFSA-N 342.483 3.945 0 50 EHAA Cc1nc(CCCNC(=O)C2(c3ccc(F)cc3)CC2)sc1C 91620387 SIDCJLLZONWSPN-UHFFFAOYSA-N 332.444 3.680 0 50 EHAA CC[C@](C)(CCNC(=O)c1csc(C)n1)c1ccccc1OC 96148115 XDWOLYWXJHLBGM-GOSISDBHSA-N 332.469 3.948 0 50 EHAA CN(Cc1cscn1)C(=O)NCC1(c2cccc(F)c2)CCCC1 534641749 RWVJZVNPFOZNPX-UHFFFAOYSA-N 347.459 3.936 0 50 EHAA Cc1cc(CN(C)C(=O)c2cccc(CN3CCCCCC3)c2)on1 299783569 WSLLVFPWTLMVNR-UHFFFAOYSA-N 341.455 3.631 0 50 EHAA CC1(C)C[C@]1(C(=O)NCCOc1ccccc1F)c1cccs1 826626526 GGBJTRMJOQJGQE-GOSISDBHSA-N 333.428 3.750 0 50 EHAA O=C(NCc1cccnc1)N[C@H](c1ccccc1)c1cccc(F)c1 86992876 CIMNLZQFWUXXAG-LJQANCHMSA-N 335.382 3.810 0 50 EHAA CN(c1ccc2cccc(Br)c2n1)C1CCC(O)CC1 170086575 OLCXWHKOOSLXJR-UHFFFAOYSA-N 335.245 3.737 0 50 EHAA COc1ccc2cc(CNc3nnc([C@@H]4CCCO4)o3)ccc2c1 170592192 CKDNESCHRFLJDD-INIZCTEOSA-N 325.368 3.695 0 50 EHAA Cc1csc([C@H]2COCCN2Cc2c(F)cccc2Cl)n1 189257035 WNYVOZNAENWPRB-CQSZACIVSA-N 326.824 3.818 0 50 EHAA O=C(Cc1cccc(Cl)c1)N1CCC([C@@H](O)c2cccs2)CC1 1506430638 XZUCFHFUOGCLDB-GOSISDBHSA-N 349.883 3.916 0 50 EHAA CC1=CC2(CCN(C(=O)CCCOCc3ccccc3)CC2)OCC1 1704298225 HPULHADDUJISBY-UHFFFAOYSA-N 343.467 3.711 0 50 EHAA Cc1n(C(C)C)cc[n+]1CCCCCC[n+]1ccn(C(C)C)c1C 1775975453 INACGRVKZJXJMH-UHFFFAOYSA-N 332.536 3.904 0 50 EHAA CN1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@]2(CCc2ccccc2)C1 1772805127 ZSCCDTUZWBGEQJ-IRLDBZIGSA-N 338.470 3.822 0 50 EHAA COC(=O)c1ccc(NC(=O)CSc2cccc(Cl)c2)cc1 5013955 JKNIBRIKXPAWMV-UHFFFAOYSA-N 335.812 3.857 0 50 EHAA C/C=C(\C)CN1CC[C@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 11838602 KLTRJSCJFDXXAA-ALPJNHHUSA-N 326.484 3.776 0 50 EHAA CC(=O)Nc1cccc(NC(=O)COc2cc(C)ccc2Cl)c1 13746168 WWVWMEDMWJJKRG-UHFFFAOYSA-N 332.787 3.624 0 50 EHAA CCOc1cc(C)c(-c2nccn2[C@H]2CCN(C)C2=O)cc1C(C)C 1857675175 MVNFAMQTXSDRMR-KRWDZBQOSA-N 341.455 3.784 0 50 EHAA Clc1cc2c(cc1-c1nccn1CC[C@@H]1CCCOC1)OCO2 1857678461 YZQSUXOJISFOEU-LBPRGKRZSA-N 334.803 3.749 0 50 EHAA Fc1cccc(C2(Cn3ccnc3-c3ccccn3)CCOCC2)c1 1857682823 SXRYQJMJLHLWQR-UHFFFAOYSA-N 337.398 3.833 0 50 EHAA C[C@H](CCNC(=O)CC1CCNCC1)c1cccc(C(F)(F)F)c1 237455652 YVXDITRPHOEUCW-CYBMUJFWSA-N 342.405 3.705 0 50 EHAA 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CC(C)Cc1cc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)n[nH]1 12317413 PYMAMWUTSOSXMY-OAHLLOKOSA-N 348.441 3.963 0 50 EHAA Cc1ccccc1CC(=O)Nc1ccccc1OC[C@H]1CCCO1 14562262 OOMYMNXQIWBEFJ-QGZVFWFLSA-N 325.408 3.734 0 50 EHAA Cc1nc(NCc2cc(F)c(F)c(F)c2)sc1-c1ccn(C)n1 15002535 OKVCSAFJZHWUIA-UHFFFAOYSA-N 338.358 3.881 0 50 EHAA Cc1cccc(C)c1Oc1ncccc1CNC1CCN(C)CC1 20203754 KUUAGNAJSGIGNN-UHFFFAOYSA-N 325.456 3.675 0 50 EHAA Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1F 20398216 DMNKFSGCDPMJIS-KRWDZBQOSA-N 344.361 3.517 0 50 EHAA CN(CCCN1CCCCC1)C(=O)c1csc(-c2cccs2)n1 20998473 RYGRVVXGVYMGSL-UHFFFAOYSA-N 349.525 3.820 0 50 EHAA Cc1ccccc1-c1cc2ncc(C(=O)c3ccccc3O)cn2n1 43573931 XEMPCALIVJAIIT-UHFFFAOYSA-N 329.359 3.641 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 67982612 VQTVFKMXPJMPFI-KRWDZBQOSA-N 349.478 3.911 0 50 EHAA O=C(O)[C@]1(Cc2cccc(Cl)c2)CCCN(c2ncccc2F)C1 71721292 IESGEADFIMIWIY-SFHVURJKSA-N 348.805 3.788 0 50 EHAA CC[C@H]1c2cccn2CCN1C(=O)c1cc(-c2ccsc2)n[nH]1 77472224 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CC[C@@H](C)CCC(=O)N1CCN(C(=O)c2coc3ccccc23)CC1 1875327960 RBVOCRIFDXSYSN-OAHLLOKOSA-N 342.439 3.544 0 50 EHAA C[C@H](CCc1ccc(Br)cc1)Nc1nccn2cncc12 2325854627 NLWKUXOZXOQUSY-GFCCVEGCSA-N 345.244 3.925 0 50 EHAA COc1ccc(-c2nccn2C[C@H](C)OC)cc1-c1ccc(F)cn1 2356146199 WIDWWWBWUNAKCQ-ZDUSSCGKSA-N 341.386 3.795 0 50 EHAA COc1cnccc1-c1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1 2356146714 RQOYTGIIBTZVPK-AWEZNQCLSA-N 333.391 3.643 0 50 EHAA COc1ccc(-c2ccc(-c3nccn3C[C@H](C)OC)o2)cc1OC 2356156976 YWMITIKFYAFTDT-ZDUSSCGKSA-N 342.395 3.862 0 50 EHAA CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(C)=O 149445 JVIFEPZOZPYDIT-UHFFFAOYSA-N 349.408 3.567 0 50 EHAA Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccnc1 351965 OZUTZTKSGWNQII-UHFFFAOYSA-N 344.827 3.506 0 50 EHAA C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2)o1 464759 JAUGIFPWBMBJBW-OCCSQVGLSA-N 331.441 3.524 0 50 EHAA COc1cc2c(cc1OC)[C@@H](c1ccc(SC)cc1)CC(=O)N2 612051 ISCKSHJFWWLCCQ-CYBMUJFWSA-N 329.421 3.900 0 50 EHAA CCS(=O)(=O)c1nc2ccccc2n1Cc1c(C)cc(C)cc1C 1060241 FNYBRDXOBJQQLL-UHFFFAOYSA-N 342.464 3.803 0 50 EHAA c1nc(Nc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCC3 2846363 NMHDHSWWMZULNS-UHFFFAOYSA-N 325.393 3.695 0 50 EHAA O=S(=O)(NCCSCc1ccc(Cl)cc1)c1cccs1 2969686 YQNZQTHVGRZGMU-UHFFFAOYSA-N 347.914 3.613 0 50 EHAA O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccc(F)cc2c1O 4276625 DFDKVZQSWJHHOW-UHFFFAOYSA-N 337.759 3.566 0 50 EHAA C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CC(C)(C)NC(C)(C)C1 4986166 FLXMUTOOIDLZEM-GFCCVEGCSA-N 338.879 3.533 0 50 EHAA COc1ccc(OC)c2c(O)c(CN3CCCC[C@H]3C)c(C)nc12 8717350 OKANURXPTRDENB-GFCCVEGCSA-N 330.428 3.640 0 50 EHAA CCOc1ccccc1NC(=O)[C@@H](CC)Oc1ccc(OC)cc1 11636890 FNCDAAQDVPJPLR-QGZVFWFLSA-N 329.396 3.890 0 50 EHAA CC(C)(C)c1ccc(CN2CCN(C(=O)NC3CCCC3)CC2)cc1 13328292 RSTXFGNEEZWTLN-UHFFFAOYSA-N 343.515 3.754 0 50 EHAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC2CCOCC2)c1C 14975049 SKEDHBVLZFNHJC-GOSISDBHSA-N 325.456 3.635 0 50 EHAA Cc1ccc2nc(C)c(C(=O)N(C)Cc3cc(C4CC4)[nH]n3)cc2c1 55107405 LVVIZYUAZYUYDZ-UHFFFAOYSA-N 334.423 3.724 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccn3)cc2)cc1 55154965 MFNGLYAYGYYRHK-UHFFFAOYSA-N 345.402 3.824 0 50 EHAA Cc1cc(CNC(=O)c2cccc(NCc3sccc3C)c2)[nH]n1 55325258 VZFNSHUKMBGBGI-UHFFFAOYSA-N 340.452 3.630 0 50 EHAA CCOc1cc(CN2CCN(c3ccccc3Cl)CC2)ccc1O 55542971 KJSJFUGCJJKZHQ-UHFFFAOYSA-N 346.858 3.767 0 50 EHAA Cc1ccncc1C(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 65405325 AFOJGLOMHVBVSI-NRFANRHFSA-N 334.419 3.861 0 50 EHAA CC[C@]1(O)CCCN(Cc2nc(-c3ccc(OC)cc3F)oc2C)C1 71765265 QGCBSTQCPSEEBO-IBGZPJMESA-N 348.418 3.535 0 50 EHAA Nc1ncccc1CN1CCC[C@H](CCc2c(F)cccc2F)C1 71770911 GSQXENQZEUXIMW-CQSZACIVSA-N 331.410 3.787 0 50 EHAA CCOC(=O)C[C@H]1CCCCN1Cc1cncn1C1CCCCC1 72151061 OTKAOINAZXBSSL-QGZVFWFLSA-N 333.476 3.696 0 50 EHAA O=C(CCc1cccs1)N1CCC([C@@H](O)Cc2ccccc2)CC1 77406246 VVGLPZKFYOWIFU-IBGZPJMESA-N 343.492 3.523 0 50 EHAA COc1ccc(C)cc1NC(=O)Cn1ccnc1-c1sccc1C 77456309 ASJLVIIXEUIFNC-UHFFFAOYSA-N 341.436 3.876 0 50 EHAA COCCN(Cc1nccs1)C(=O)c1oc2ccc(C)cc2c1C 77524498 YGBLSBVRELSAFY-UHFFFAOYSA-N 344.436 3.795 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3c(C)noc3C)[nH]n2)o1 91327112 FPJRWACRRKCWMA-OAHLLOKOSA-N 340.383 3.560 0 50 EHAA Cc1nccn1CCCC(=O)N1CCC(Cc2ccc(F)cc2)CC1 95359089 LBLYBWYPRBFJGY-UHFFFAOYSA-N 343.446 3.592 0 50 EHAA CCCc1nc(C)cc(N2CCC(N[C@@H](C)c3nccs3)CC2)n1 95506225 IBFWVEDEYMEBND-AWEZNQCLSA-N 345.516 3.514 0 50 EHAA Cc1ccc(C(=O)C2CCN(C(=O)c3c(O)cccc3F)CC2)cc1 120394545 MFBMHKQKAYUZHV-UHFFFAOYSA-N 341.382 3.575 0 50 EHAA COc1ccc([C@H](C)NCc2cccc(Br)n2)cc1F 161712876 MSJCVOPCEJESFM-JTQLQIEISA-N 339.208 3.843 0 50 EHAA C[Si](C)(C)c1cc([Si](C)(C)C)c(F)c([Si](C)(C)C)c1F 169816142 YJHBZLSGDAVYKI-UHFFFAOYSA-N 330.643 3.600 0 50 EHAA CCn1c(C)nnc1CN[C@H](C)c1cc(F)c(Cl)cc1Cl 181642413 MOJLBFHDPSUUSC-MRVPVSSYSA-N 331.222 3.903 0 50 EHAA COc1ccccc1[C@H]1CCCN1C(=O)c1csc(SC)n1 215013031 ZZHDGUVXHIPUGG-CYBMUJFWSA-N 334.466 3.851 0 50 EHAA CCOC(=O)c1csc([C@@H]2CCCN2C(=O)C[C@@H]2C=CCCC2)n1 225392841 OCNYWAUSJZLYOR-HIFRSBDPSA-N 348.468 3.730 0 50 EHAA C[C@@H](NC(=O)c1cccc(C(=O)O)c1)c1ncc(-c2ccccc2)o1 225482941 BSENIATVURRQNQ-GFCCVEGCSA-N 336.347 3.531 0 50 EHAA CC(C)[C@H](NC(=O)C(=O)N(C)[C@@H](C)c1ccccc1)c1ccccc1 239807557 CSYWNWMONBIASL-LPHOPBHVSA-N 338.451 3.720 0 50 EHAA CCCCN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CC1 242389478 ZXNCERLUXYCWSH-AWEZNQCLSA-N 349.441 3.623 0 50 EHAA Cc1c(F)cccc1NC(=O)CN1CCCC[C@@H]1c1ccccn1 244584355 CXRHDSJEXRXQRP-GOSISDBHSA-N 327.403 3.695 0 50 EHAA COc1ccc(-c2ccc(C)c(NC(=O)N3CCSCC3)c2)cn1 283941160 KVCFPIJKURAICP-UHFFFAOYSA-N 343.452 3.646 0 50 EHAA Cc1nnc(SCCNC(=O)Nc2ccccc2C2CC2)s1 299793851 HXMKIXGJRQHODO-UHFFFAOYSA-N 334.470 3.638 0 50 EHAA CCc1sc(C(=O)N2CC[C@H](C(=O)O)c3ccccc32)cc1C 322412616 ZQTJPUOAJLANMD-ZDUSSCGKSA-N 329.421 3.838 0 50 EHAA Cc1ocnc1CNC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 333042906 FOYKAYBTFVUFGA-LLVKDONJSA-N 348.472 3.912 0 50 EHAA CCOC1CC2(CCN(C(=O)[C@@H]3CCOc4ccc(Cl)cc43)C2)C1 342981621 CHXUFXPLMUXLHT-XAUUPUKJSA-N 349.858 3.624 0 50 EHAA Cc1cc(C(=O)N2CCCC[C@H]2c2noc(C)n2)c2ccccc2n1 370946306 DFSGXRKJGWSNND-KRWDZBQOSA-N 336.395 3.602 0 50 EHAA CCCn1ccc2cc(NC(=O)c3c(NC(C)=O)c[nH]c3C)ccc21 408513727 OPDGZGOBFKHVLQ-UHFFFAOYSA-N 338.411 3.899 0 50 EHAA Cc1cc(-c2nc(C(=O)N[C@@H](C)CCCC(F)(F)F)co2)ccn1 451173550 AVLYEDPYFJXCLG-JTQLQIEISA-N 341.333 3.896 0 50 EHAA C[C@@H]1CC[C@H](CNC(=O)N(C)[C@H](C)c2ccc(C(F)(F)F)cc2)O1 459157873 HQFKTLFQAFSTSY-LALPHHSUSA-N 344.377 3.975 0 50 EHAA O=C(Nc1cnccc1-c1ccccc1)c1nnc2ccccc2c1O 791231062 YJUHEZHSEJIAOK-UHFFFAOYSA-N 342.358 3.650 0 50 EHAA c1cc2nsnc2cc1CNCc1ccc([C@H]2CCCCO2)o1 952960233 QXVVMQRFYKFMIC-MRXNPFEDSA-N 329.425 3.816 0 50 EHAA Cc1cnc(NCc2ccc(-c3ccc(F)cc3)o2)nc1N(C)C 1529134096 QXFGRXFYBDCVBK-UHFFFAOYSA-N 326.375 3.862 0 50 EHAA CCCN(C(=O)c1cc2ccc(Cl)cc2n1C)[C@H]1CCCC[C@@H]1O 1565505527 RIJJTNDQEJSECQ-YJBOKZPZSA-N 348.874 3.987 0 50 EHAA c1cc2c(c(-c3noc(Cc4ccc5c(c4)CCCO5)n3)n1)CCCC2 1875332271 OBCPBVYWWWINER-UHFFFAOYSA-N 347.418 3.926 0 50 EHAA CN(C)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 129287 OSHMYEZBMUIMFD-UHFFFAOYSA-N 349.228 3.533 0 50 EHAA COc1cc(OC)c(NC(=O)COc2ccccc2C)cc1Cl 353793 MFJVMXMJKSIBAI-UHFFFAOYSA-N 335.787 3.683 0 50 EHAA CN(C)c1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 452273 ZKQXJMSEXIVKHK-UHFFFAOYSA-N 333.844 3.533 0 50 EHAA CC(C)(C)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 531844 HLKDPUUCGZANMK-UHFFFAOYSA-N 345.424 3.887 0 50 EHAA O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1Cl 2890885 SHOARIJLYFPYLQ-UHFFFAOYSA-N 328.799 3.828 0 50 EHAA COc1ccc(C(=O)Nc2sccc2C(=O)OC(C)C)c(OC)c1 4750591 IWEJZYZBMBXVIP-UHFFFAOYSA-N 349.408 3.583 0 50 EHAA COc1ccc(NC(=O)CSc2nc(C)c(CC(C)C)[nH]2)cc1 6703288 KDLNBUPYCRAWFD-UHFFFAOYSA-N 333.457 3.656 0 50 EHAA Cc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1 7185288 JKXATRXLSJFOJE-UHFFFAOYSA-N 340.492 3.898 0 50 EHAA COc1ccc([C@H](O)[C@@H](C)NC[C@@H](C)CCc2ccccc2)cc1 222159148 IGRHVBKHDHJSGM-CSODHUTKSA-N 327.468 3.976 0 50 EHAA CC(C)c1cc(C(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCCO2)on1 55359889 JXXARWLCVZOGRK-INIZCTEOSA-N 346.402 3.759 0 50 EHAA CC(C)(C)n1nccc1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 463579274 SUCDMADJBDJNPL-ZDUSSCGKSA-N 346.862 3.757 0 50 EHAA NC(=O)[C@@H]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 23281839 HIBJOKIZBDTURP-OAHLLOKOSA-N 344.842 3.830 0 50 EHAA O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1ccnnc1 123652305 NZKCSBZMJGAQRB-UHFFFAOYSA-N 327.290 3.799 0 50 EHAA CC(=O)NCCC1=CCCN(Cc2cc(C(F)(F)F)ccc2F)C1 65429045 VICPGCFRVSBFGU-UHFFFAOYSA-N 344.352 3.503 0 50 EHAA O=C(Cc1ccc(O)c(Cl)c1)N1CCCC[C@@H]1c1ccccn1 216427836 HMXGEFAMNBFXQY-MRXNPFEDSA-N 330.815 3.737 0 50 EHAA Cc1nccc(-c2ccccc2)c1C(=O)N1CC(c2cccnc2)C1 72151063 YFCBPKVMYUQOBY-UHFFFAOYSA-N 329.403 3.692 0 50 EHAA CN(CCN1CCCCCC1)C(=O)c1cc2c(Cl)cccc2[nH]1 216414446 NWXBJCVDZOCCLA-UHFFFAOYSA-N 333.863 3.769 0 50 EHAA FC(F)c1nnc2n1N=C(c1ccc(Cl)cc1Cl)CS2 4293929 GOISUENJDNZQQK-UHFFFAOYSA-N 335.166 3.881 0 50 EHAA CC[C@H](c1nc2c3ccccc3ncn2n1)n1nc(C)c(Cl)c1C 6489669 NXFHWCQJOMBPLE-CQSZACIVSA-N 340.818 3.744 0 50 EHAA COc1cccc(-c2ncc(CN3CC(c4ccncc4)C3)s2)c1 72153188 MHXHSFCCCSZLJJ-UHFFFAOYSA-N 337.448 3.813 0 50 EHAA Cn1nccc1CN[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1 122702169 DPCPJJRMOIYIFT-QGZVFWFLSA-N 346.356 3.713 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 154989549 NKNPXVSYYPTAOK-MLGOLLRUSA-N 341.455 3.939 0 50 EHAA Cc1nc([C@@H](C)N2CCC[C@H](COc3ccccc3Cl)C2)n[nH]1 331670838 OGUQACZGRBELDG-OCCSQVGLSA-N 334.851 3.619 0 50 EHAA Cc1cccc(CN2CCN(C(=O)c3csc(C(C)C)n3)CC2)c1 72476340 DNHRFNXVEGQPOG-UHFFFAOYSA-N 343.496 3.533 0 50 EHAA COc1ccc(F)c(F)c1CN1CCCC[C@H]1CCN1CCCC1 77286259 XPJQACOSLPTYSJ-HNNXBMFYSA-N 338.442 3.814 0 50 EHAA CNC[C@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C1 237295197 HYCVULZFQKKRND-ZIAGYGMSSA-N 342.405 3.657 0 50 EHAA CN(Cc1ccc(Oc2ccccc2)o1)C[C@@H]1CCn2ccnc2C1 377860466 MSLMIMDGVCWRCI-MRXNPFEDSA-N 337.423 3.963 0 50 EHAA Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C[C@@H]1CCCC(C)(C)C1 329832645 GAHYWGXWJYCDGM-LSDHHAIUSA-N 333.476 3.859 0 50 EHAA O=C(NCC[C@@H]1CCOC1)c1ccc(-c2ccc3cc[nH]c3c2)cc1 426478948 OVKVJQSQVSLVMP-OAHLLOKOSA-N 334.419 3.991 0 50 EHAA CCOC(=O)Cc1csc(Cc2ccc(Br)cc2)n1 147472872 NJIRSPQGSAPPEE-UHFFFAOYSA-N 340.242 3.602 0 50 EHAA CC(C)n1cc(NC(=O)NCc2cc(F)ccc2C(F)(F)F)cn1 97506046 BARBOBGUWPJFGM-UHFFFAOYSA-N 344.312 3.944 0 50 EHAA CN(Cc1cccc2ncccc12)c1cc(C(=O)N2CCCC2)ccn1 95392800 KHNYZVDWYSXCFG-UHFFFAOYSA-N 346.434 3.502 0 50 EHAA CCN(CCCc1ccccc1)C(=O)c1cnc(-c2ccncc2)nc1 97436913 KPSBSBGISATOND-UHFFFAOYSA-N 346.434 3.634 0 50 EHAA CCN(Cc1c(F)cccc1Cl)C[C@@H]1Cc2c(C)nc(C)nc2O1 252488694 IXCPEPZLMDGLRX-ZDUSSCGKSA-N 349.837 3.712 0 50 EHAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2Cc3c(F)cccc3C2=O)CC1 255188883 MFDQTSYYHPYFBU-JOCQHMNTSA-N 348.418 3.617 0 50 EHAA CNC(=O)COc1ccccc1-c1cccc([C@H](C)N2CCCC2)c1 534663990 RFTZCRALDSAWIW-INIZCTEOSA-N 338.451 3.635 0 50 EHAA CC1(C(=O)Nc2nc3ccc4scnc4c3s2)CCOCC1 888299370 NMMXIHDOMSNHLY-UHFFFAOYSA-N 333.438 3.661 0 50 EHAA O[C@@H](c1cccs1)C1CCN(Cc2nc3ccccc3[nH]2)CC1 952966732 JPHUQKAFLZDBIN-GOSISDBHSA-N 327.453 3.570 0 50 EHAA Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1cc2ccccc2s1 275732174 ZXVRPCJRGHQELZ-RDJZCZTQSA-N 327.453 3.645 0 50 EHAA O=S(=O)(Nc1cccc2ncccc12)c1cnc2ccccc2c1 170617517 MBHJCFYCLSACEA-UHFFFAOYSA-N 335.388 3.584 0 50 EHAA CC(C)(C)c1nsc(NC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)n1 170629368 LYDJKFHTUPOLPD-MPEURRAXSA-N 334.489 3.878 0 50 EHAA Cc1cccc([C@H](O)CNC(=O)c2c[nH]cc2-c2ccccc2F)c1 787445242 ZDOIGCLROUOCMY-LJQANCHMSA-N 338.382 3.593 0 50 EHAA Cc1sc(NC(=O)/C=C/c2cccc(Cl)c2)c(C(N)=O)c1C 433694 RNLHRKWIHSATBT-VOTSOKGWSA-N 334.828 3.769 0 50 EHAA O=C(Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)NC1CC1 11865866 QEXDBNUJORKCIH-UHFFFAOYSA-N 342.342 3.530 0 50 EHAA COC[C@H]1CCCCN1Cc1nc(-c2ccc(OC)cc2)oc1C 11933938 CHAARZMQOXIAEJ-MRXNPFEDSA-N 330.428 3.660 0 50 EHAA Cc1c(C(=O)N(C)C)sc2ncnc(N[C@H](C)c3cccs3)c12 12156897 VHSUQSRVXMNQCY-SNVBAGLBSA-N 346.481 3.936 0 50 EHAA O=C(NC[C@@H]1Cc2cccc(-c3cccnc3)c2O1)[C@H]1CC=CCC1 12164506 BNSMHSFABURKPP-YJBOKZPZSA-N 334.419 3.525 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1ccccc1F)N1CCC(CO)CC1 14977688 LNRVYXKETMHXJC-IBGZPJMESA-N 341.426 3.579 0 50 EHAA O=C(c1ccccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 19536641 QVRQDHHQLTURNV-RMKNXTFCSA-N 340.854 3.811 0 50 EHAA C[Si](C)(C)CCOCO[C@]12C=C(Br)CC[C@H]1OC2 169832675 HYPRJPWHJVHUQY-OLZOCXBDSA-N 335.314 3.526 0 50 EHAA CCOCCOC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 1771509 JWTCZXPJKQTEAQ-VAWYXSNFSA-N 339.391 3.532 0 50 EHAA COc1cc(NC(C)=O)ccc1NCc1cnc(-c2ccco2)s1 225611697 ZNWFWFSBWONYPB-UHFFFAOYSA-N 343.408 3.982 0 50 EHAA Cc1n[nH]cc1CNCC1(Cc2ccc(Br)cc2)CC1 657660736 QIKOSHQKZKEQOG-UHFFFAOYSA-N 334.261 3.593 0 50 EHAA c1ccc(Oc2ccc(-c3noc([C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)n3)nc2)cc1 904101602 XDORSDNRCFMJOW-DZXRDFMUSA-N 347.374 3.815 0 50 EHAA CC(C)/C=C(\CN1CC[C@@]2(CO)CCCN(C)[C@@H]2C1)c1ccccc1 1704326076 VTPCQHJAQZDOGF-CQZKBQLOSA-N 342.527 3.505 0 50 EHAA C[C@H](C(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1 934360927 OABGKDNRHICCLK-OBJOEFQTSA-N 329.362 3.981 0 50 EHAA COc1cnccc1[C@H](C)Nc1cccc(N2CCCCC2=O)c1 1875285655 VDZOGLIBGZQFJH-AWEZNQCLSA-N 325.412 3.780 0 50 EHAA C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(Br)s1 252487165 UADHLPVMVFHVLI-TURKWSHLSA-N 338.270 3.820 0 50 EHAA CC[C@H](NC(=O)c1cc(Br)cs1)[C@@H]1CCCCO1 654290690 USQCOZWRECMBEP-QWRGUYRKSA-N 332.263 3.588 0 50 EHAA O=C([C@H]1CCC=CCCC1)N1Cc2ccccc2O[C@@]2(CCOC2)C1 2325770177 NTVFMBGFKGFUNO-UWJYYQICSA-N 341.451 3.703 0 50 EHAA Cc1csc(CO[C@@H]2CCN(Cc3cccc4ccncc34)C2)n1 2325784333 VGUMANRBXSBOSB-QGZVFWFLSA-N 339.464 3.791 0 50 EHAA C[C@@H](c1ccccc1)N(C(=O)[C@@H](C)n1cc(C2CCC2)nn1)C1CC1 2325843634 LAWZOLGKPDDGQI-LSDHHAIUSA-N 338.455 3.859 0 50 EHAA O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[C@@H]1C[C@H]2CC[C@H]1O2 110676838 NYFKOUFFNMKSBZ-NCXUSEDFSA-N 325.383 3.599 0 50 EHAA Cc1ccc(NC(=O)c2ccccc2)cc1I 46078 FUEQCPYGTAOOHD-UHFFFAOYSA-N 337.160 3.852 0 50 EHAA O=C(c1ccccc1Cl)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 196573 VFRCJZKXIMFQMA-YGRLFVJLSA-N 346.736 3.593 0 50 EHAA Cc1ccccc1NC(=S)N1CCN(c2ccc(F)cc2)CC1 301923 OICDZORFAAKRPA-UHFFFAOYSA-N 329.444 3.653 0 50 EHAA Cc1ccccc1NS(=O)(=O)c1ccc(Br)cc1 361726 LXYIGOWLNMDTGQ-UHFFFAOYSA-N 326.215 3.558 0 50 EHAA CCC(CC)n1nc(C)cc1NC(=O)c1ccc(-c2ncn[nH]2)cc1 55308210 FQQQZBFWODRERY-UHFFFAOYSA-N 338.415 3.590 0 50 EHAA CC(=O)Nc1ccc(C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1 225404541 KYJMPSJYIXCGMA-YWZLYKJASA-N 349.434 3.886 0 50 EHAA CCc1ncc(CNCc2cccnc2Oc2ccccc2F)cn1 59314111 QOJWJTYNNAONCO-UHFFFAOYSA-N 338.386 3.655 0 50 EHAA COc1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 10360048 ANSBRVJBCUJYNY-UHFFFAOYSA-N 338.451 3.611 0 50 EHAA Cc1nc(-c2ccncc2)ncc1[C@@H](C)NCc1nc2ccccc2[nH]1 20785207 ZTVBCGWICQGHOM-CYBMUJFWSA-N 344.422 3.574 0 50 EHAA COC(=O)Nc1cc(NC(=O)c2noc3c2CCCCC3)ccc1F 133918184 URBOSPUMZWEKRX-UHFFFAOYSA-N 347.346 3.513 0 50 EHAA O=C(c1ccccc1O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67678392 OQPDANDJDCZFDB-GHTZIAJQSA-N 347.414 3.536 0 50 EHAA CCc1ccc2ncn(CC[C@@H]3CCCCN3C(C)C)c(=O)c2c1 63856332 AIVFBRARGCQKIQ-KRWDZBQOSA-N 327.472 3.612 0 50 EHAA O=C(CSc1ccccn1)Nc1ccc(OC(F)(F)Cl)cc1 90553 MYRNNXXPXJQRRZ-UHFFFAOYSA-N 344.770 3.980 0 50 EHAA COc1ccc(C)cc1NC(=O)c1ccc(Cn2nc(C)cc2C)o1 1002573 NHZVZJOQMVGYPS-UHFFFAOYSA-N 339.395 3.711 0 50 EHAA CCn1nc(C)c2c(C(=O)OC)cc(-c3ccc(Cl)cc3)nc21 2732295 KFNWTLWWTGPUJB-UHFFFAOYSA-N 329.787 3.867 0 50 EHAA OCc1ccc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1 253424781 FRMPVJMIHBMWEF-HNNXBMFYSA-N 331.284 3.850 0 50 EHAA CC(C)N(C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C 77406645 JISUMGXNYFCLDY-UHFFFAOYSA-N 342.830 3.769 0 50 EHAA CC(=O)c1ncc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)s1 411653888 GHIJEAFGIUMJFP-GFCCVEGCSA-N 330.453 3.832 0 50 EHAA CC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(C)c(F)c2)CC1 72412481 CSBRYKYRWOMLFE-UHFFFAOYSA-N 339.410 3.897 0 50 EHAA Cn1cc([C@@H]2CCN(C(=O)Nc3cccnc3-c3ccccc3)C2)cn1 156988959 YFJGWWWKPGWERP-MRXNPFEDSA-N 347.422 3.504 0 50 EHAA Clc1cccc(Cl)c1Cn1nccc1NCC1=CCCOC1 126989801 REPOGUPWLFQCEL-UHFFFAOYSA-N 338.238 3.997 0 50 EHAA Cc1nc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(C)o1 71746966 IPCCWLRGWSYTSC-MRXNPFEDSA-N 330.403 3.916 0 50 EHAA CN(C[C@H]1CCN(c2ccccc2)C1)c1noc(-c2ccccc2)n1 77470882 WZKAATHPIWGADN-MRXNPFEDSA-N 334.423 3.699 0 50 EHAA COc1cc(C)cc(NC(=O)N2CCCC[C@@H]2c2ccnn2C)c1C 281917782 JNIQAWXVWAADMH-QGZVFWFLSA-N 342.443 3.805 0 50 EHAA O=C(CCc1ccc(F)c(F)c1)N1CCCC[C@H]1CCn1ccnc1 82126866 GOPPFEGUPVVZPG-INIZCTEOSA-N 347.409 3.565 0 50 EHAA CC(C)c1cc(C(=O)NCCc2cccc(C(F)(F)F)c2)n(C)n1 82127238 DLZCDXSQQNHZSR-UHFFFAOYSA-N 339.361 3.535 0 50 EHAA Cc1cc(C)c(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)cn1 91551627 WAYPLOZXJKZLOP-QGZVFWFLSA-N 348.406 3.726 0 50 EHAA CCCc1cc(C(=O)N2CCCC[C@H]2CCn2cccn2)cs1 91690360 IXDQATWLGLJWJD-INIZCTEOSA-N 331.485 3.982 0 50 EHAA CCc1ncc(C(=O)N2CCCC[C@H]2CCc2cccs2)cn1 95392197 SHVKLNVRTCWWJQ-HNNXBMFYSA-N 329.469 3.728 0 50 EHAA CC1=CCN(C(=O)Nc2ccccc2OCCc2ccccn2)CC1 95500555 WTDWZSODIWKMBF-UHFFFAOYSA-N 337.423 3.887 0 50 EHAA Cc1cc2cc(C(=O)N(C)Cc3c(C)nc4ccccn34)ccc2o1 91469064 ZKSPYJMCOVIDDI-UHFFFAOYSA-N 333.391 3.970 0 50 EHAA c1ccc([C@@H]2[C@]34[C@H]5[C@@H]6[C@@H]7[C@@H]8[C@H]9[C@H]%10[C@@H]%11[C@H]8[C@@H]6[C@H]6[C@@H]5[C@H]5[C@@H]([C@H]%10[C@H]([C@H]9[C@@H]73)[C@]524)[C@H]%116)cc1 257357227 MTDFEKUIDSXJRW-VTHBRZEXSA-N 348.489 3.998 0 50 EHAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3[nH]c4ccccc4c3C)[C@H]2C1 299774269 BHJJWVFKQWGFBL-UIAACRFSSA-N 328.456 3.635 0 50 EHAA COCC1(N(C)C(=O)c2cccc(-c3ccc(F)c(F)c3)c2)CC1 299790521 BPFZOARYIBVNBV-UHFFFAOYSA-N 331.362 3.883 0 50 EHAA CC[C@@H](C(=O)N(Cc1ccccc1)Cc1ncccc1C)N(C)CC 823061320 OGBKWHALINULEO-FQEVSTJZSA-N 339.483 3.649 0 50 EHAA CN(C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H]1CCOC1 271277183 LEWZGIFMIWNAIX-GJZGRUSLSA-N 342.361 3.587 0 50 EHAA CCSc1nnc(NC(=O)/C=C/c2ccccc2Cl)s1 375398 UHXNDHIAJFAFFY-BQYQJAHWSA-N 325.846 3.955 0 50 EHAA CC1=CC2(CCN(Cc3nnc(-c4cccc(F)c4)o3)CC2)OCC1 1704343566 JJQBPDRRODNSNW-UHFFFAOYSA-N 343.402 3.577 0 50 EHAA OCc1ccc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)o1 12570680 SWYRSPLKOMYSEM-CQSZACIVSA-N 335.394 3.895 0 50 EHAA 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ODOXWWXSMZADCM-BEFAXECRSA-N 341.407 3.650 0 50 EHAA CC(C)CN(Cc1ccc2c(c1)OCCCO2)Cc1ccccn1 55414524 XDXQTDTWAFPGOQ-UHFFFAOYSA-N 326.440 3.901 0 50 EHAA CCC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 9230816 VNOAURWVYRHCCX-CQSZACIVSA-N 326.396 3.750 0 50 EHAA O=C(COc1ccccc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20726938 FKSANBQSWCRGSJ-UHFFFAOYSA-N 340.810 3.785 0 50 EHAA Cc1nn(C)c(C)c1CN(Cc1cc2c(cc1Cl)OCO2)C(C)C 63832853 VRILUDWSGALRDL-UHFFFAOYSA-N 349.862 3.830 0 50 EHAA C[C@H](NC(=O)Nc1cccc(C(F)F)c1Cl)c1cnn(C)c1 350791737 JZQWCEVHDXXGQH-QMMMGPOBSA-N 328.750 3.894 0 50 EHAA Cc1ccc(C2(CN(C)Cc3sccc3C)CCNCC2)nc1 65452482 YOBPDHXNRXDCMA-UHFFFAOYSA-N 329.513 3.513 0 50 EHAA Nc1nc2c(s1)[C@H](c1cccc3c1oc1ccccc13)CC(=O)NC2 65385529 IADFYVLWVWRWKF-ZDUSSCGKSA-N 349.415 3.777 0 50 EHAA CC(C)c1cc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)n(C)n1 409415075 SOLYLLRKLOTBQZ-MRXNPFEDSA-N 336.439 3.832 0 50 EHAA Cc1ccc(C)c(-n2ncc([C@@H](C)NC[C@]3(C)CCCNC3)c2C)c1 423321601 GOUVTWMBAVXHTR-DYESRHJHSA-N 340.515 3.838 0 50 EHAA CCc1ccccc1NC(=O)N1CCN(c2ccccc2F)CC1 2513674 IEPAXTSKVMWQHX-UHFFFAOYSA-N 327.403 3.742 0 50 EHAA O=C(NCCC1Cc2ccccc2C1)c1csc([C@H]2CCCO2)n1 122762818 YRTSHFFAOGZRNF-QGZVFWFLSA-N 342.464 3.530 0 50 EHAA Cc1ncsc1CN(C/C=C/c1ccc(F)cc1)C[C@H]1CCNC1 328637438 OPWFJONUPUBNBR-YATRRXNKSA-N 345.487 3.716 0 50 EHAA C[C@@H](NC(=O)CCCc1nccs1)c1cccc(-n2ccnc2)c1 253404189 HOMUYRJWBDWQOB-CQSZACIVSA-N 340.452 3.529 0 50 EHAA OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2ncc[nH]2)CC1 72158628 BFRXYIXEUJXGEB-UHFFFAOYSA-N 347.462 3.558 0 50 EHAA Cc1noc(C)c1CC(=O)N(C)Cc1csc(-c2ccccc2)n1 72430308 LTZCHDPLUVZALF-UHFFFAOYSA-N 341.436 3.616 0 50 EHAA Cc1noc(C)c1CN1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280474327 PDEQVKRCEKCNCZ-MLGOLLRUSA-N 340.345 3.618 0 50 EHAA CCCO[C@@H]1CCCN(C(=O)Nc2ccnn2[C@@H](C)C2CC2)CC1 156574391 JLSZFUGHQRTLOE-GOEBONIOSA-N 334.464 3.667 0 50 EHAA O=C(c1ccc(Oc2ccccc2)o1)N1CCOC[C@@H]1c1ccco1 370106928 CFUBEWHWMMMSCO-OAHLLOKOSA-N 339.347 3.879 0 50 EHAA O=C(Nc1ccc(CN2CCCC2)cc1)c1ccccc1[C@@H]1CCNC1 72126669 RVFPAAFGMQKSCO-GOSISDBHSA-N 349.478 3.612 0 50 EHAA COC(=O)[C@H]1CC[C@H](C(=O)N2[C@@H](C)[C@@H](c3ccccc3)C[C@H]2C)CC1 280933422 HQWCEXBFOWRRAQ-CGHHPOIWSA-N 343.467 3.759 0 50 EHAA O=C1Nc2ccccc2NC12CCN(Cc1ccccc1Cl)CC2 82121928 HCQMLIDQZYFSBB-UHFFFAOYSA-N 341.842 3.739 0 50 EHAA CCCn1cc(-c2ccnc(NCc3csc(CC)n3)n2)c(C)n1 48194425 DPQXXNIQFURMMH-UHFFFAOYSA-N 342.472 3.690 0 50 EHAA Nc1c(C(=O)N2CCCC2)sc2nc3c(cc12)CCCCCC3 90454705 WNUSFJKCSANUJV-UHFFFAOYSA-N 329.469 3.774 0 50 EHAA O=C(CN1CCc2ccccc2C1)Nc1nc(-c2ccccc2)cs1 96006143 BZDDOFWJFWRMJA-UHFFFAOYSA-N 349.459 3.807 0 50 EHAA CCN(C)C1(CNC(=O)Nc2cc(C)c(OC)c(C)c2)CCCC1 299787812 QTKNVLPGRUJCDE-UHFFFAOYSA-N 333.476 3.698 0 50 EHAA CSc1cccc(CN(C)C(=O)NCc2cc(C(C)C)on2)c1 584884916 RDWNVAFNYLFNFR-UHFFFAOYSA-N 333.457 3.862 0 50 EHAA FC(F)(F)c1ccnc(N2CCC[C@H](c3noc(C4CC4)n3)C2)c1 277267585 RVIVAKFYYVTETN-NSHDSACASA-N 338.333 3.745 0 50 EHAA O=C1NC2(CCCCCC2)C(=O)N1c1ccc(Br)cc1 170613816 BZZUSGZQKANVHR-UHFFFAOYSA-N 337.217 3.598 0 50 EHAA COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccco2)cc1 188576727 ONXJHFWUJUDEGL-MRXNPFEDSA-N 335.425 3.594 0 50 EHAA COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccco2)cc1 188576705 ONXJHFWUJUDEGL-INIZCTEOSA-N 335.425 3.594 0 50 EHAA CCc1nc(C)c([C@H](C)N(C)C(=O)c2cn3ccnc3s2)s1 188548923 XLZCPYKLAYJWHL-JTQLQIEISA-N 334.470 3.556 0 50 EHAA Fc1cccc(OC2CCN(C3CSCCSC3)CC2)c1 1506400757 GTUQCPGJJUBQHM-UHFFFAOYSA-N 327.490 3.518 0 50 EHAA Cn1ccc2ccc(CN(Cc3ccncc3)C[C@@H]3CCCO3)cc21 1506421477 ICYLYUZWSOJGRH-FQEVSTJZSA-N 335.451 3.755 0 50 EHAA CCCCCc1nnc(NC(=O)c2ccc(F)c(OC)c2F)s1 1529112495 MAYFQLIYMCNVQT-UHFFFAOYSA-N 341.383 3.810 0 50 EHAA CCCOc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC 2284917 VPJFPZGNVXUKKT-RAXLEYEMSA-N 343.404 3.890 0 50 EHAA COc1ccc(C(=O)N[C@H](C)c2cnn(-c3ccccc3C)c2C)o1 11818687 RQPAJPFBRAXXIR-CYBMUJFWSA-N 339.395 3.582 0 50 EHAA CC[C@H]1CN(Cc2ccccc2OC)Cc2cc(OC)ccc2O1 11911043 LENXPXNSTGLRFV-KRWDZBQOSA-N 327.424 3.877 0 50 EHAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)CCc2ccncc2)c1C 12200717 VSDJLYCARPTGBI-INIZCTEOSA-N 348.450 3.694 0 50 EHAA CC(C)N(CC1CCN(Cc2ccccc2F)CC1)C[C@@H]1CCCO1 12443775 VCTVGINVQRVCKM-FQEVSTJZSA-N 348.506 3.927 0 50 EHAA Fc1cccc2ccc(-c3nccn3Cc3[nH]nc4ncccc34)nc12 1857694560 RKXUBQFKPDMEDB-UHFFFAOYSA-N 344.353 3.557 0 50 EHAA Cc1cc(Br)ccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 242515 SIXQASFELNQYLR-VXGBXAGGSA-N 340.217 3.587 0 50 EHAA O=C(O)c1cccnc1CN1CCC(Cc2cccc(F)c2F)CC1 659797257 FAWWQMYKXYPGJX-UHFFFAOYSA-N 346.377 3.513 0 50 EHAA Fc1cccc(Cc2noc([C@H]3CCCN3c3nccs3)n2)c1 252504810 VMBDSIDAILMKDP-CYBMUJFWSA-N 330.388 3.598 0 50 EHAA C[C@H](c1noc([C@@H]2CCCN(Cc3ccccc3)C2)n1)[C@H]1CCCO1 903802506 DIHIZRFGPKKISO-CGTJXYLNSA-N 341.455 3.732 0 50 EHAA COc1ccc(-c2cc3ncnc(NCc4cocn4)c3s2)cc1 1875256508 FVAJEOFNVGHQGP-UHFFFAOYSA-N 338.392 3.967 0 50 EHAA CN(C/C=C/c1ccccc1)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 1875367959 DEHBNFIMLKKAGY-FXVWLTTGSA-N 347.462 3.738 0 50 EHAA C=CC(=O)N(Cc1cc(F)cc(Cl)c1)[C@H](C)C1CCOCC1 1875382640 KPQKEAYQKPMBTF-GFCCVEGCSA-N 325.811 3.809 0 50 EHAA O=C1c2ccccc2-c2nc3ncnn3c(-c3ccccc3Cl)c21 98735 GCGRRRBJGRVNSC-UHFFFAOYSA-N 332.750 3.656 0 50 EHAA Cc1cc(-n2ccnc2C)ccc1CN1CC[C@H](c2nccs2)C1 2325855794 OVPABAHRLYKZFF-KRWDZBQOSA-N 338.480 3.935 0 50 EHAA C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)N(C)C)C1 127472 GIKQGACPUGDGBL-GFCCVEGCSA-N 342.464 3.827 0 50 EHAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2Cl)N1 188032 JNLXAXOXLWSEML-JKSUJKDBSA-N 326.783 3.510 0 50 EHAA biogenic COc1ccc2c(=O)c(Oc3cnn(-c4ccccc4)c3)coc2c1 390708 OTWSMJNYCPZYKY-UHFFFAOYSA-N 334.331 3.780 0 50 EHAA CC(=O)Nc1c(C)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1C 439821 APDWVBKPQBQCPP-UHFFFAOYSA-N 329.240 3.574 0 50 EHAA CCCC(=O)Nc1ccc(NC(=O)COc2ccccc2C)cc1 444359 RCGJCAQBPQXUER-UHFFFAOYSA-N 326.396 3.751 0 50 EHAA C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCCCCC1 616017 IWUJUFDLYCWZMP-GFCCVEGCSA-N 326.234 3.619 0 50 EHAA CCC(CC)c1nnc(NS(=O)(=O)c2ccc(C)cc2)s1 617137 DVLOFWGQZSYZKC-UHFFFAOYSA-N 325.459 3.551 0 50 EHAA CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1Cl 2755484 CGRBAVUMRITWND-HNNXBMFYSA-N 336.819 3.653 0 50 EHAA Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c(C)o1 2759422 WAKRUXSUYCMSML-UHFFFAOYSA-N 332.425 3.578 0 50 EHAA CN(C)Cc1ccc([C@@H]2CCCCN2Cc2ccn3ncnc3c2)cc1 2356168239 VRVWYJLQRJVXKS-FQEVSTJZSA-N 349.482 3.518 0 50 EHAA O=C(CN1CCc2ccccc2C1)Nc1ccccc1C(F)(F)F 4857051 YSFXRRUGJGSIOZ-UHFFFAOYSA-N 334.341 3.702 0 50 EHAA Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)o1 225408553 ASQPHKJYXBFLGW-FZMZJTMJSA-N 339.313 3.555 0 50 EHAA Cc1ccc(O)c(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 67654955 KHTNRZYOUUMERY-SIKLNZKXSA-N 348.446 3.599 0 50 EHAA CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(F)cc2)cc1 20279840 CTWNURWOTHJIGR-SFHVURJKSA-N 340.398 3.631 0 50 EHAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)C2=Cc3ccccc3OC=C2)C1 67981864 GQMPYWRYQMBXLV-SFHVURJKSA-N 349.434 3.668 0 50 EHAA Cc1ncnc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1C 67894342 XIYZFCPHSLSMLX-VQTJNVASSA-N 333.435 3.601 0 50 EHAA O=C(Nc1ccc(F)cc1F)C1CCN(Cc2ccccc2)CC1 39744473 NAGCOMLPNUPSNS-UHFFFAOYSA-N 330.378 3.816 0 50 EHAA Cc1ccc(S(=O)(=O)N2c3ccccc3OC[C@H]2C(C)(C)C)cc1 1389073 UZWMAQFSIQJRBM-SFHVURJKSA-N 345.464 3.997 0 50 EHAA O=C(N[C@H]1CCN2CCC[C@H]2C1)N(Cc1ccccc1)CC1CCC1 252511380 GEEPZPGWBFNJLF-PMACEKPBSA-N 341.499 3.625 0 50 EHAA FC(F)(F)CCc1ccnc(NCc2cc(-c3ccco3)on2)n1 71749835 DABPFIRSDOLXMT-UHFFFAOYSA-N 338.289 3.832 0 50 EHAA COc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CC[C@@H](CO)CC1 151780412 MZNSKOMMBOSZSC-CTYIDZIISA-N 345.464 3.705 0 50 EHAA CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H]2CCc3c(O)cccc32)C1 152239767 ZKKAZLNSQVUJND-WOSRLPQWSA-N 334.485 3.695 0 50 EHAA Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1csc(-c3ccccn3)n1)N2 153667453 PXOTVOKOZNEUFB-INIZCTEOSA-N 336.420 3.710 0 50 EHAA CC(C)N(CCNc1nc(C2CCCC2)nc2c1cnn2C)C(C)C 72163096 RASKLGNVFZCQNI-UHFFFAOYSA-N 344.507 3.552 0 50 EHAA COc1ccccc1NC(=O)Nc1ccc(CN2CCCC2)cc1 13325234 ODBHLPXXAGKMJM-UHFFFAOYSA-N 325.412 3.935 0 50 EHAA O=C(CSc1ccc(O)cc1)Nc1ccc(-c2ncc[nH]2)cc1 156281403 BYEWRSBOORUKBJ-UHFFFAOYSA-N 325.393 3.513 0 50 EHAA Cc1noc(-c2ccccc2)c1NC(=O)N[C@H]1COc2ccccc21 126687805 SZCVSXXOSMWUDM-HNNXBMFYSA-N 335.363 3.905 0 50 EHAA O=C(c1cccc(-c2ccc(F)cc2)c1)N1CC(N2CCCCC2)C1 219076011 QITXOJDNNYTODI-UHFFFAOYSA-N 338.426 3.803 0 50 EHAA Cc1ccc2oc(C(=O)N3C[C@H](c4ccccc4)OC[C@@H]3C)cc2n1 171499894 VIXQIFVDBSJJHJ-IFXJQAMLSA-N 336.391 3.738 0 50 EHAA CC1(C)CCc2sc(NC(=O)N3CCCC[C@H]3c3cn[nH]c3)nc21 333506974 IMVWOSJJDUZXNG-LBPRGKRZSA-N 345.472 3.849 0 50 EHAA Cc1cc(CC(=O)N2C[C@H](c3ccccc3Cl)OCC2(C)C)no1 172135583 ROVVUWHMUFUHBY-MRXNPFEDSA-N 348.830 3.558 0 50 EHAA C[C@H](NC(=O)N[C@H]1CC[C@@H](CO)CC1)c1ccccc1C(F)(F)F 241784803 RWWYCTACFZHBTC-RWMBFGLXSA-N 344.377 3.617 0 50 EHAA CC(C)(c1ccc(F)cc1)C1(NC(=O)CCc2ccccn2)CC1 456772369 LYSCAOUIMCAHOY-UHFFFAOYSA-N 326.415 3.780 0 50 EHAA C[C@H]1CC[C@@H](C(=O)O)CN1C(=O)CCc1ccc(Cl)c(Cl)c1 263209496 NIGHYRAISIOPNS-CMPLNLGQSA-N 344.238 3.638 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H]2C(F)(F)F)c2ccc(F)cc2n1 82096671 NLBJIVWGLRKVAQ-CQSZACIVSA-N 326.293 3.849 0 50 EHAA CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(Cl)cc12 40448409 RNXZBWKYWNTRSG-UHFFFAOYSA-N 336.819 3.561 0 50 EHAA Cc1cc(C)c(C(=O)NCC2CCN(Cc3cccs3)CC2)o1 176275254 GWTPHFRRZKTWFK-UHFFFAOYSA-N 332.469 3.600 0 50 EHAA CCc1nc(C)c(CNC(=O)c2ccccc2OC(F)F)s1 223840925 BTKVGFRXKBZYIQ-UHFFFAOYSA-N 326.368 3.545 0 50 EHAA CC[C@H](NC(=O)N[C@H]1CCO[C@H]1c1ccccc1)c1nc(C)cs1 239367166 AHWGYVNQDNWTDU-JYJNAYRXSA-N 345.468 3.732 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 91713454 LHHGOYPNXKIAEZ-LBPRGKRZSA-N 335.810 3.715 0 50 EHAA COC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCCCC3)cc2)c1 95218001 WOEFCLYPXUCRKJ-UHFFFAOYSA-N 341.382 3.905 0 50 EHAA Cc1c(Cl)cc(C(=O)N(C)CCn2ccnc2C)cc1Cl 91289293 BQIYXQYPOUPDGZ-UHFFFAOYSA-N 326.227 3.579 0 50 EHAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(F)c(Cl)c1)C2 95391899 OQOGESXQZATEHJ-TZMCWYRMSA-N 339.842 3.817 0 50 EHAA Cc1ccncc1C(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C 91745854 RFEOHBMBWZLCOC-HNNXBMFYSA-N 334.423 3.684 0 50 EHAA Cc1ccnc([C@@H](NC(=O)c2ccc(-c3cc[nH]n3)cc2)C2CC2)c1 91381929 ONZGCADWQNRKEZ-IBGZPJMESA-N 332.407 3.661 0 50 EHAA CC(=O)c1cc(C(=O)N[C@H](c2cccs2)C2CCCCC2)[nH]n1 97259178 ZBCBVMKIDHNRQZ-INIZCTEOSA-N 331.441 3.725 0 50 EHAA Cc1ccc(Cc2ccccc2C(=O)N2CCC[C@@H](N)CC2)cc1F 244678779 IJYGXAQDVBITRK-GOSISDBHSA-N 340.442 3.678 0 50 EHAA O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1C[C@@H](CO)c2ccccc21 293900094 LLGXBQIIOWXJFR-HNNXBMFYSA-N 346.430 3.783 0 50 EHAA CC(C)(C)c1oc(C(N)=O)cc1CN1CC[C@H]1c1ccc(F)cc1 252480634 CBRAMZCZJQHCSU-HNNXBMFYSA-N 330.403 3.762 0 50 EHAA CCN(Cc1ccncc1)C(=O)Nc1c(C)cnn1[C@@H](C)C1CC1 299771688 WDLKIRRQEWRENV-AWEZNQCLSA-N 327.432 3.612 0 50 EHAA CCCn1ncc(C(=O)N2CCc3cc(SC)ccc3C2)c1C 299792262 DVOQFGOLAZURSZ-UHFFFAOYSA-N 329.469 3.522 0 50 EHAA O=C(c1ccc(CN2CCCC2)o1)N1CCCC[C@H]1c1nccs1 827939610 MMGFCMWCLBLWMS-HNNXBMFYSA-N 345.468 3.699 0 50 EHAA CC[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cc(C)nc(C)n2)c1C 952868932 VPKARTORDDUOPQ-LLVKDONJSA-N 340.427 3.639 0 50 EHAA CCCOc1ccc(NC(=O)c2cncc(Br)c2)cc1 16552632 JOYGOFNWFMDBOQ-UHFFFAOYSA-N 335.201 3.885 0 50 EHAA Cc1cnc(C2CCN(C(=O)Cc3noc4ccccc34)CC2)s1 278570803 PMIQPAOBPRWLJM-UHFFFAOYSA-N 341.436 3.541 0 50 EHAA CN(C)c1ccc2c(c1)CN(C(=O)CCc1ccc(Cl)cc1)CC2 170601838 ZEJHUHXJILFKMW-UHFFFAOYSA-N 342.870 3.924 0 50 EHAA Fc1ccccc1COc1ccc(CN2C[C@@H]3CCCN[C@@H]3C2)cc1 769442347 JEYOLWNGXBNUQG-LAUBAEHRSA-N 340.442 3.589 0 50 EHAA Cc1c(C)n(CCCN(C)C)c2ncnc(NCc3ccccc3)c12 5346065 DXUFEOUMAASFLB-UHFFFAOYSA-N 337.471 3.612 0 50 EHAA CC[C@H](NC(=O)c1cn(Cc2ccccc2C)nn1)c1ccc(C)cc1 11841977 OOUCTEPOMNFACS-IBGZPJMESA-N 348.450 3.824 0 50 EHAA Cc1cnc(NC(=O)[C@H](C)Oc2cccc(Br)c2)s1 13330283 AVZMYKLDCDVKJN-VIFPVBQESA-N 341.230 3.620 0 50 EHAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(F)cc1 14567844 RJNWKMNTDXVCQY-UHFFFAOYSA-N 326.371 3.704 0 50 EHAA COCc1ccc(C(=O)N2CCC[C@H](CCc3ccccc3)C2)o1 14978068 AACIVLIEZCTXTI-QGZVFWFLSA-N 327.424 3.911 0 50 EHAA COc1cc(C=C(C)c2nc(O)c3ccsc3n2)cc(OC)c1 1857528381 OZIBCLPYBZNSMB-UHFFFAOYSA-N 328.393 3.975 0 50 EHAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N(C)[C@@H](C)C1CCCCC1 225758307 QZIVUSPOMRVWCK-HIFRSBDPSA-N 334.508 3.578 0 50 EHAA CC(C)c1ccccc1NC(=O)CN1CCC(c2ncco2)CC1 931451192 SIBRGMCLIMRUMO-UHFFFAOYSA-N 327.428 3.616 0 50 EHAA CC(C)[C@@H]1CCC[C@H]1NC(=O)c1nc(C(F)(F)F)n2c1CCCC2 1875329676 CODIQCVZJIXADL-NWDGAFQWSA-N 343.393 3.793 0 50 EHAA O=C(CCC(=O)c1cccs1)N[C@@H]1CCCc2cc(O)ccc21 2325786625 JBAAKTDEROMJFG-OAHLLOKOSA-N 329.421 3.610 0 50 EHAA O=C1CC[C@@H](CCC(=O)Oc2cccc(-c3cccnc3)c2F)C1 2325806566 WIIYROWMMSMKGH-ZDUSSCGKSA-N 327.355 3.943 0 50 EHAA Cc1ccc(CCNC(=O)c2cc(-c3ccc(F)cc3)nn2C)cc1 2325825581 VWHIHDLMKHODLT-UHFFFAOYSA-N 337.398 3.507 0 50 EHAA COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2 118498 NQWATHZTCFDLPS-UHFFFAOYSA-N 335.812 3.929 0 50 EHAA CC(C)NC(=O)Oc1ccc(Br)cc1Br 399681 SFSIBDJLGGJEAA-UHFFFAOYSA-N 337.011 3.708 0 50 EHAA COc1ccc([C@H]2N(c3ccccc3)C(=O)N3CC(C)(C)CN23)cc1 545891 ZQNMXZPFWQFQAL-GOSISDBHSA-N 337.423 3.893 0 50 EHAA CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(C)o2)CC1 2828211 YAXZKUPYFIQZTB-UHFFFAOYSA-N 340.467 3.849 0 50 EHAA CCOCCOc1ccccc1NC(=O)c1ccc(OCC)cc1 10506680 XVTYYDOHLNEZTG-UHFFFAOYSA-N 329.396 3.753 0 50 EHAA CCN(Cc1noc(CC(C)C)n1)Cc1cccn1-c1nccs1 55036183 MVCBPSAWYHACSX-UHFFFAOYSA-N 345.472 3.537 0 50 EHAA O=C1[C@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2C12CC2 101478075 QMQPDCDNMPUVBK-QHSBEEBCSA-N 348.229 3.691 0 50 EHAA O=C(c1ccc(-c2ncc[nH]2)s1)N1CCCC[C@H]1c1cccnc1 102545254 DIJRIKSLYVRMJZ-AWEZNQCLSA-N 338.436 3.901 0 50 EHAA CCCN1CCC[C@@H]1c1ccc(C(=O)Nc2nc(C)ns2)s1 20326494 VDADZDMMNJJJGL-LLVKDONJSA-N 336.486 3.707 0 50 EHAA CC(C)c1cc([C@@H]2CCCN2C(=O)NCCc2ccccc2)no1 64667153 WFYIMVPZXLOXDJ-KRWDZBQOSA-N 327.428 3.887 0 50 EHAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccco3)on2)cc1 21525383 RGQJBYBCOICCDM-MRXNPFEDSA-N 338.363 3.921 0 50 EHAA COc1cc(CN2CCCC[C@@H]2c2cccnc2)cc2c1OCO2 22022975 HICQBPQOOOAKCS-MRXNPFEDSA-N 326.396 3.546 0 50 EHAA Cc1nc(I)ccc1OCc1ccccc1 98179600 IVHNYYQKLAONDU-UHFFFAOYSA-N 325.149 3.574 0 50 EHAA CN(C)CC1CCC(NCC2=Cc3cc(Cl)ccc3OC2)CC1 119931682 QAJFRBOPDAEUDD-UHFFFAOYSA-N 334.891 3.826 0 50 EHAA COc1ccc(C(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 36359717 QSENETMEFBFVPR-UHFFFAOYSA-N 335.285 3.843 0 50 EHAA CCc1nccn1CCNc1cc(-c2ccccc2)nc2cc(C)nn12 72438497 GDCOVPZWMOIFAR-UHFFFAOYSA-N 346.438 3.576 0 50 EHAA Cc1cc(NC(=O)NCc2ccoc2)cnc1N1CCCC[C@@H]1C 331468382 VVTKVFFKUUGVCB-AWEZNQCLSA-N 328.416 3.684 0 50 EHAA O=C(N1CCC[C@@H](N2CCCC2)C1)C1(c2ccc(Cl)cc2)CCC1 72144160 DYTPHYNXKPLEDO-GOSISDBHSA-N 346.902 3.849 0 50 EHAA CCCn1cc(CN2CCc3[nH]c4ccc(F)cc4c3C2)c(C)n1 216357307 SQEUGPPTOUYCPG-UHFFFAOYSA-N 326.419 3.780 0 50 EHAA CNC(=O)c1ccc(Cn2ccnc2-c2ccccc2-c2ccco2)o1 77438619 OEBCTWBAQFKOFT-UHFFFAOYSA-N 347.374 3.811 0 50 EHAA Cc1cc(C(=O)N(Cc2ccsc2)[C@@H]2CC23CCNCC3)c(C)o1 262287560 YBKMMRNXKPZZEZ-QGZVFWFLSA-N 344.480 3.742 0 50 EHAA CC(C)CCn1ncc(C(=O)N[C@H](C)c2ccccn2)c1C(C)C 242242302 XTRNFYGWPXZZEM-OAHLLOKOSA-N 328.460 3.939 0 50 EHAA O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 49466997 ZIYUSOBSWLSTQF-KRWDZBQOSA-N 339.391 3.807 0 50 EHAA CN1CCC(n2ncc3nc(-c4ccc5ccccc5c4)[nH]c32)CC1 20536193 LQKOUUUEAOKUTJ-UHFFFAOYSA-N 331.423 3.846 0 50 EHAA CCCCSCc1cc(C(=O)N2CC(C)(C)[C@@](C)(O)C2)oc1C 91769973 JTSCFCVYZWVRGP-SFHVURJKSA-N 339.501 3.854 0 50 EHAA COc1ccc2c(C)c(C(=O)N[C@@H](C)Cc3cncs3)oc2c1 92099783 UOQHACCNJLOGMO-JTQLQIEISA-N 330.409 3.567 0 50 EHAA CCCOc1ccc(NC(=O)N2CCC[C@H]2COC)cc1Cl 95499313 YXBYSSXJUMCZEW-ZDUSSCGKSA-N 326.824 3.772 0 50 EHAA O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1cnc2ccccc2c1 297696975 XFLXKELZSJCXBV-UHFFFAOYSA-N 348.406 3.695 0 50 EHAA COc1ccc2c(c1)CCC[C@H]2NC(=O)C1(N2CCCC2)CCCC1 824751196 RBWVCXBFAKYUJE-LJQANCHMSA-N 342.483 3.597 0 50 EHAA Cc1nc([C@@H]2CCCCN2C(=O)c2ccccc2)n(C(C)(C)C)n1 670447593 MVUDHYSKGOJBMM-INIZCTEOSA-N 326.444 3.709 0 50 EHAA CCCCc1nc(CNCc2ccc3nsnc3c2)c(Cl)[nH]1 952976598 SUTWNGHVOCADSM-UHFFFAOYSA-N 335.864 3.700 0 50 EHAA Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@@H]2CCO[C@H](C)C2)cc1 272109662 QZHVZDMBXPAPKC-GDBMZVCRSA-N 343.389 3.744 0 50 EHAA C[S@](=O)c1ccc(NC(=O)N2CCC(c3ccsc3)CC2)cc1 187199227 UHTOUPRNHPQSAA-QHCPKHFHSA-N 348.493 3.897 0 50 EHAA O=C(CCCCCCCC(=O)NCc1ccco1)NCc1ccco1 5050781 GVUIFZMJHICLMB-UHFFFAOYSA-N 346.427 3.536 0 50 EHAA CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Cl)c1 4113574 ZDWIJSRARRZDHM-OAHLLOKOSA-N 336.819 3.701 0 50 EHAA C/C=C(\C)CN1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1 12314966 QUXHAIUKNQRNNR-QPHYPNAHSA-N 330.447 3.606 0 50 EHAA CC(=O)Nc1ccc(NC(=O)c2ccc(Br)s2)cc1 12379666 OCMBVWAGYBZHCX-UHFFFAOYSA-N 339.214 3.721 0 50 EHAA COc1ccccc1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 14567950 VOYQESQWSGTTJG-UHFFFAOYSA-N 338.407 3.574 0 50 EHAA COc1ccc(C(=O)N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)o1 14968516 OISJZYZCCMGNJP-MRXNPFEDSA-N 349.390 3.553 0 50 EHAA CC(C)N[C@H](NC(=O)c1ccccc1Cl)C(Cl)(Cl)Cl 19315342 CYARMALMOWRBNE-LLVKDONJSA-N 344.069 3.764 0 50 EHAA COc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1OC 3908487 FJVNOLHYQKQRKL-UHFFFAOYSA-N 330.365 3.673 0 50 EHAA COc1ccc(/C=C(/CC(=O)Nc2ccccc2Cl)C(=O)O)cc1 2546430 JOEXUIUBXLLUDG-RAXLEYEMSA-N 345.782 3.845 0 50 EHAA COc1cc(C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)cc(Cl)c1O 225498383 NADJESYHBHPQHO-ABAIWWIYSA-N 346.814 3.673 0 50 EHAA COc1cccc([C@@H](C)CC(=O)Nc2ccc(CCC(=O)O)cc2)c1 237305351 OULBRQHAFJGICP-AWEZNQCLSA-N 341.407 3.845 0 50 EHAA CSc1cc(C)ccc1CNC(=O)N1CCC(c2c[nH]cn2)CC1 242140831 WPPGPWKNFPYLCY-UHFFFAOYSA-N 344.484 3.529 0 50 EHAA CCC[C@@H](C)[C@@H](C)NC(=O)c1nn(C(C)(C)C)cc1Br 1875307085 JXMHDQDKYZETIG-GHMZBOCLSA-N 344.297 3.955 0 50 EHAA O=C1CSc2cc(C(=O)O[C@@H]3c4ccccc4C[C@@H]3F)ccc2N1 1875341347 PRJABYYFTOPWKC-SUMWQHHRSA-N 343.379 3.523 0 50 EHAA COc1cc(C(=O)N2CCC[C@]2(C)Cc2ccc(Cl)s2)on1 885242987 VAVVLVBKXLNLRD-OAHLLOKOSA-N 340.832 3.636 0 50 EHAA C[C@H](Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1cc2n(n1)CCCC2 886808346 IAIFNPORUOGLAL-KSSFIOAISA-N 338.455 3.734 0 50 EHAA CC1(C)CC2(CO1)CC(NC(=O)NCc1ccc(C3CC3)cc1F)C2 895004018 GACYDAQQIUJLMT-UHFFFAOYSA-N 346.446 3.850 0 50 EHAA N[C@H](c1ccccc1)c1noc(-c2cc(Oc3ccccc3)ccn2)n1 2325705595 ZUIMJKSLKKXWQM-GOSISDBHSA-N 344.374 3.972 0 50 EHAA O=C(O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 118160 IHJLLWWPIVQSNY-UHFFFAOYSA-N 330.723 3.577 0 50 EHAA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)NC(=O)N1C 196829 LVXUBSHXNAUUDD-SFHVURJKSA-N 335.407 3.604 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 268428 GLTIFAPRQURZFG-KBPBESRZSA-N 331.412 3.598 0 50 EHAA O=C(NCc1cccnc1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 425698 NOXLEDCNRQEILR-UHFFFAOYSA-N 348.189 3.973 0 50 EHAA S=C(Nc1ccccc1Cl)N1CCN(c2ccccc2)CC1 1175457 XSONDNMGQRJYLL-UHFFFAOYSA-N 331.872 3.859 0 50 EHAA CC(=O)NC(c1ccc(F)cc1)(c1ccc(F)cc1)C(F)(F)F 1707761 LOOCAEGGZALYLF-UHFFFAOYSA-N 329.268 3.907 0 50 EHAA C[C@H](c1ccc(-n2cncn2)cc1)N(C)c1nc2cc(F)ccc2o1 114446474 DWEHBNVGSAWRLR-GFCCVEGCSA-N 337.358 3.745 0 50 EHAA O=C1C[C@@H](c2cc3ccccc3o2)c2cnn(Cc3cccnc3)c2N1 65371149 NDIHBRJSVFTCPE-OAHLLOKOSA-N 344.374 3.547 0 50 EHAA CCn1ccnc1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66850974 BAFWYWOGVDDYGC-HNNXBMFYSA-N 340.254 3.783 0 50 EHAA COc1ccc(NC(=O)c2ccc([C@@H]3C[C@H]3C)o2)cc1OCC(=N)O 328586608 KGYLHRHILVYXFP-ZYHUDNBSSA-N 344.367 3.578 0 50 EHAA Cc1nc([C@H](C)N(C)Cc2cc(C(N)=O)oc2C(C)(C)C)c(C)s1 77302400 AIEOPUWVOSDIEX-JTQLQIEISA-N 349.500 3.942 0 50 EHAA Cc1ccc(CNc2cc(S(=O)(=O)N3CCCCC3)ccc2C)o1 253428520 KALUNAFQVHWRSY-UHFFFAOYSA-N 348.468 3.683 0 50 EHAA C[C@H](c1ccccc1Br)N(C)C(=O)Cc1ccncc1 354954552 UPDPBLZIXPVRAG-GFCCVEGCSA-N 333.229 3.606 0 50 EHAA Cc1nc([C@@H](C)Nc2cc(-c3ccccc3)nc3c(C)c(C)nn23)n[nH]1 72463707 MNOOXNPRSQQRAI-CYBMUJFWSA-N 347.426 3.613 0 50 EHAA O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc(F)cc1 35476535 SKFKFKOEUCNESR-HNNXBMFYSA-N 328.343 3.923 0 50 EHAA Cc1c[nH]c(CN2CCC[C@@H](CCc3ccccc3F)C2)c(C)c1=O 72126649 AXYMHPKYMDALCT-KRWDZBQOSA-N 342.458 3.976 0 50 EHAA CCN(c1ccccc1C)S(=O)(=O)c1ccc2c(c1)CCCC2=O 332644313 WQPPBQAVURQIFS-UHFFFAOYSA-N 343.448 3.729 0 50 EHAA Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(-n3ccnc3)nc2)cc1 128970573 CRGPZTNFPXCHBH-LJQANCHMSA-N 346.434 3.943 0 50 EHAA O=C(C[C@@H]1CCOc2ccccc21)NCc1nccc2ccccc12 172104177 WOCRERGUEGIONX-INIZCTEOSA-N 332.403 3.807 0 50 EHAA CN(C)Cc1ccccc1Cn1ccnc1-c1nc2ccccc2n1C 77376789 MVMDGYMQGNYJSJ-UHFFFAOYSA-N 345.450 3.547 0 50 EHAA O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N1CCCCCO1 241124182 JGDBCLSUONJFKN-UHFFFAOYSA-N 343.349 3.514 0 50 EHAA O=C(c1cnn2c1CCCC2)N1CCCC[C@@H]1c1ccc(F)cc1 85474752 OHKCCQOPYXXDMR-QGZVFWFLSA-N 327.403 3.726 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccccc1-c1ccccc1 239274738 AQCFBQWYIVUEDP-HRFMKDBOSA-N 341.410 3.911 0 50 EHAA CNc1nc(C)cc(N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)n1 91643531 AFLMTGBKBXJKLK-MRXNPFEDSA-N 346.438 3.773 0 50 EHAA CC(C)OCCCNC(=O)CCSCc1cc2ccccc2[nH]1 334162628 DEJXXIGCIAOCGI-UHFFFAOYSA-N 334.485 3.723 0 50 EHAA Fc1ccc(-c2cnnc(NCc3nc4ccccc4s3)n2)cc1 39542034 QLMDGYQXDNLDPJ-UHFFFAOYSA-N 337.383 3.900 0 50 EHAA O=C(NCc1csc(N2CCCC2)n1)Nc1cccc2c1CCC2 299802592 ZXFXMKHQKXGAEG-UHFFFAOYSA-N 342.468 3.554 0 50 EHAA Cc1noc(C)c1CN(C)Cc1cc(CN2CCCCC2)cs1 823702943 LLBHYGUCDWKOJJ-UHFFFAOYSA-N 333.501 3.971 0 50 EHAA CCn1c(Sc2nc3ccccc3s2)nnc1-c1cnccn1 301731307 XSWNOTYCLJONRR-UHFFFAOYSA-N 340.437 3.516 0 50 EHAA COC1(CNCc2ccc(OC[C@H]3CCCO3)cc2)CCCCC1 187444424 LZNHTGWWWGZWSR-LJQANCHMSA-N 333.472 3.683 0 50 EHAA CCO[C@@H]1C[C@@H](N(C)c2ncnc3sc4c(c23)CCC4)C1(C)C 170637150 SXTHSWDMFKTHDH-ZIAGYGMSSA-N 331.485 3.820 0 50 EHAA COc1ccc2c(c1)[C@@H](N[C@@H]1CCCn3nc(C)nc31)CCCS2 188227820 MHKJMHHNZMZYBE-JKSUJKDBSA-N 344.484 3.647 0 50 EHAA O=C(c1cccnc1C(F)(F)F)N1CCS[C@@H]2CCCC[C@H]21 188970381 IHFYDPLVBMYDOE-VXGBXAGGSA-N 330.375 3.601 0 50 EHAA O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC[C@H]2C[C@@H]21 672134575 HLTQHJXKOGATRN-WMZOPIPTSA-N 335.451 3.901 0 50 EHAA CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1 94288 YSSBFLIYVVHZPS-AWNIVKPZSA-N 325.364 3.524 0 50 EHAA biogenic COC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)nc1C 302522 ASOSGWLZXKCGIB-VMPITWQZSA-N 336.800 3.543 0 50 EHAA O=C(NCc1cccnc1)c1cccnc1-c1nc2ccccc2s1 1063184 AZJUFMUPHNCIDT-UHFFFAOYSA-N 346.415 3.683 0 50 EHAA CCSC1=C(SCC)C(=O)N(c2ccc(Cl)cc2)C1=O 392535 PXLHDFHZLVDYPT-UHFFFAOYSA-N 327.858 3.931 0 50 EHAA Cc1cc(O)c(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1C 456169 CGQDQNFDBHXVMR-UHFFFAOYSA-N 334.828 3.789 0 50 EHAA O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 470050 VQSWUFPVFLZOBR-UHFFFAOYSA-N 335.363 3.854 0 50 EHAA O=C(Nc1cccc2ccccc12)N1CCN(Cc2ccco2)CC1 11005754 DVBKUIPSPLWUKF-UHFFFAOYSA-N 335.407 3.783 0 50 EHAA COc1ccccc1NC(=O)N1CCC[C@H](Nc2cccc(F)c2)C1 12574123 LQVIUVJDUBKXTC-INIZCTEOSA-N 343.402 3.943 0 50 EHAA COc1ccc(Br)cc1/C=C/C(=O)NC1CCCCC1 13140874 WRXYMUHTXGORIO-JXMROGBWSA-N 338.245 3.920 0 50 EHAA O=C(NCc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)cc1 15776598 AZSQFUHIDFTYPO-UHFFFAOYSA-N 335.659 3.966 0 50 EHAA COc1cccc([C@H]2CCN(Cc3ccnc4ccccc34)C[C@@H]2O)c1 210216847 HIIWGZUQNOAUQP-IRLDBZIGSA-N 348.446 3.594 0 50 EHAA Cc1cc(F)ccc1-c1ccc(C(=O)N2CC[C@H](N)C[C@H]2C)cc1F 237494936 VCMZOZSEJHVTOC-CJNGLKHVSA-N 344.405 3.892 0 50 EHAA O=C(Nc1ccn(-c2ccccc2Cl)n1)N1C[C@H]2CCC[C@@H]2C1 129243235 UAPQDLQXHNPDEN-CHWSQXEVSA-N 330.819 3.790 0 50 EHAA CC1CCN(Cc2cccc(CNC3CCC(C(=O)O)CC3)c2)CC1 263434860 UDMUXHHTCNKXQB-UHFFFAOYSA-N 344.499 3.652 0 50 EHAA Cc1ccoc1CNc1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)o1 871000015 FYDBECSUXKIALF-LBPRGKRZSA-N 348.403 3.655 0 50 EHAA Cc1cc(O)ccc1CC(=O)N1CCc2ccccc2[C@@H]1C(F)(F)F 1875339040 UGGNGXGHTQTVJJ-GOSISDBHSA-N 349.352 3.931 0 50 EHAA C[C@H](Nc1cccc([C@H]2CCCC(=O)N2)c1)c1cc2n(n1)CCCC2 886808344 IAIFNPORUOGLAL-KBXCAEBGSA-N 338.455 3.734 0 50 EHAA CC(C)N(CCCO)C(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 1775997845 NPNWOZHBBWNHKL-CQSZACIVSA-N 347.484 3.674 0 50 EHAA OC[C@H](NCc1ccsn1)c1ccc(Cl)cc1C(F)(F)F 1776003082 UMBLUWAXIUTJBO-LBPRGKRZSA-N 336.766 3.639 0 50 EHAA Cc1[nH]cnc1CN1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 72423272 BKLVWTSGPHKXOA-NRFANRHFSA-N 338.499 3.596 0 50 EHAA Fc1cc(F)cc(-c2nsc(N3CC[C@@]4(CCCCO4)C3)n2)c1 2325784234 LTEMPAOJSOIHHC-INIZCTEOSA-N 337.395 3.633 0 50 EHAA CCOC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 49414 YLXJBDFGASQIGU-UHFFFAOYSA-N 345.354 3.817 0 50 EHAA COc1cc2c(cc1OC)[C@@H](c1ccccc1OC(C)C)CC(=O)N2 107511 OPNUTKQTJYOSPK-CQSZACIVSA-N 341.407 3.965 0 50 EHAA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2Cl)NC(=O)N1C 124234 XREBUZWIHNFMGI-MRXNPFEDSA-N 348.830 3.796 0 50 EHAA C[C@H](c1ccccc1)N1C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=S 386501 XFSVAHFGTTYMJE-ACJLOTCBSA-N 349.459 3.557 0 50 EHAA COc1cccc(N2C(=O)c3cccc4c(C(C)=O)ccc(c34)C2=O)c1 474606 YMENBDFSQYJWBP-UHFFFAOYSA-N 345.354 3.852 0 50 EHAA O=Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccc2c(c1)OCCO2 732199 CSBFNXIMTWXOMD-UHFFFAOYSA-N 340.766 3.776 0 50 EHAA COC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(C)cc2)c1 859791 TYPIVTYLCOUBKO-UHFFFAOYSA-N 343.448 3.962 0 50 EHAA CCCOC(=O)c1cccc(NC(=O)COc2cccc(Cl)c2)c1 1771313 WXAQIYUSNNMXSV-UHFFFAOYSA-N 347.798 3.924 0 50 EHAA CCCOc1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cc1 1820666 SMVAGSWSOMAOPI-UHFFFAOYSA-N 349.434 3.922 0 50 EHAA CC(C)(C)OC(=O)N1C[C@H](C/C=C/c2ccccc2)C[C@H]1C(=O)O 4241497 GUKHUCVSJCNYEV-ZHANPKHBSA-N 331.412 3.800 0 50 EHAA CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 4757069 LUHORGBHVBZLRZ-UHFFFAOYSA-N 346.452 3.679 0 50 EHAA CC1(C)[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@@H]1C=C(Cl)Cl 5008223 PIPHJIAVRSNMCM-CMPLNLGQSA-N 328.195 3.915 0 50 EHAA Nc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCCC4 5346025 FPSFEEHJMPJKFX-UHFFFAOYSA-N 335.436 3.857 0 50 EHAA COc1ccc(C(=O)NCc2cccnc2Oc2ccc(C)nc2)cc1 11663089 FPEPRIBKSRLQNH-UHFFFAOYSA-N 349.390 3.516 0 50 EHAA CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)CC(C)C)C1 11874604 ZLNWSJWAUVTIOR-FQEVSTJZSA-N 349.446 3.586 0 50 EHAA O=C([C@@H]1CC(Cc2ccccc2)=NO1)N1CCC[C@@H](c2ccccc2)C1 12217830 RYRVGSJWCZRSTE-CTNGQTDRSA-N 348.446 3.780 0 50 EHAA C[C@@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1 12383870 NYCFXUKJAWICGQ-GFCCVEGCSA-N 347.340 3.933 0 50 EHAA Cc1cc2nc3s/c(=C/C=C/c4ccccc4)c(=O)n3c2cc1C 12446775 RCIGVFCOPPNWTE-XICJKMHVSA-N 332.428 3.739 0 50 EHAA CCCCNC(=O)c1sc2ncnc(N3CCCCC3)c2c1C 14969524 QYTUVJHYECCUBU-UHFFFAOYSA-N 332.473 3.520 0 50 EHAA Cc1ccccc1N1CCN([C@H]2CCCN(C3CCCCC3)C2)CC1 23373049 YTIXSRCGCNKUAF-NRFANRHFSA-N 341.543 3.914 0 50 EHAA COC(=O)[C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 38237999 QGSITPKXYQEFIR-CILPGNKCSA-N 343.426 3.836 0 50 EHAA in-vitro CCN(CCCCO)C(=O)c1cccc(NCc2cccs2)c1 55109305 RGMDTRQFCRLDEC-UHFFFAOYSA-N 332.469 3.595 0 50 EHAA CCCc1nc(CN(CC)Cc2c[nH]nc2-c2ccc(F)cc2)no1 55270110 MEWRGFUFWUYOIY-UHFFFAOYSA-N 343.406 3.573 0 50 EHAA Cc1cnn(Cc2ccccc2Cl)c1NC(=O)CC1CCOCC1 55310123 BKPUBABICXINRH-UHFFFAOYSA-N 347.846 3.648 0 50 EHAA CCn1ccnc1-c1c(-c2ccccc2)ncn1CCn1ccnc1C 65404852 GRGVZUBXFIGJNK-UHFFFAOYSA-N 346.438 3.639 0 50 EHAA O=C(c1ccccc1)[C@H]1CCCN(Cc2cnc(-c3ccco3)nc2)C1 72481258 QXJZUJXJFUVCSR-SFHVURJKSA-N 347.418 3.832 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2c[nH]nc2C2CCCCC2)c1 91663014 RGRSTNHIRIVOLM-OAHLLOKOSA-N 340.471 3.864 0 50 EHAA CCc1nccn1CCCNC(=O)Nc1cc(C)c(F)cc1Cl 95509775 OSGMDMFKOMEYFH-UHFFFAOYSA-N 338.814 3.758 0 50 EHAA O=C(c1ccn(-c2ccccc2)n1)N1CCOc2c(Cl)cccc21 158442818 LWVXGCXIQGZVLO-UHFFFAOYSA-N 339.782 3.565 0 50 EHAA CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(Cl)nc2)C12CCCC2 170637376 JMUFCMDDCZVGTC-UONOGXRCSA-N 337.851 3.937 0 50 EHAA CN1C(=O)CC[C@H](c2nc(-c3ccsc3)no2)[C@@H]1c1ccccc1 175436579 PSKBEEDJWFEDPN-HOCLYGCPSA-N 339.420 3.875 0 50 EHAA C[C@@H]1CCc2sc(C(=O)Nc3cc(CN(C)C)ccn3)cc2C1 176918992 FHHYKZVBBAUQLA-GFCCVEGCSA-N 329.469 3.582 0 50 EHAA Cc1cc(C)c2c(c1)CN(C(=O)Nc1cccc3c1OCCO3)CC2 187078418 IJLYUGZQDQGDSB-UHFFFAOYSA-N 338.407 3.665 0 50 EHAA O=C(NCCOC1CCCCCC1)[C@@H]1CCCc2c(O)cccc21 190454768 VDARMLWBCSYQCJ-GOSISDBHSA-N 331.456 3.668 0 50 EHAA CC(C)COc1ccc(CNC(=O)[C@@H]2CCCc3cccnc32)cc1 194098466 PGMYNPGFERTQKQ-LJQANCHMSA-N 338.451 3.853 0 50 EHAA Cn1c(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc2ccccc21 215389137 VZCMQJQIVLKWIK-UHFFFAOYSA-N 338.798 3.638 0 50 EHAA C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCNC1 225489726 HTUGCFWMWWSOBB-YCEFEEMOSA-N 332.463 3.604 0 50 EHAA C[C@H]1CC[C@H](N(CCO)Cc2ccc(OCc3ccccn3)cc2)C1 225668314 GVMGBYIZLTYKPN-PXNSSMCTSA-N 340.467 3.644 0 50 EHAA CNc1ccc(C(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)cn1 225704619 IBPHEUWIQHSVGF-OAHLLOKOSA-N 341.455 3.662 0 50 EHAA COCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCC(F)(F)C2)o1 253394899 CANFXWHPDAHJMN-OCCSQVGLSA-N 327.371 3.915 0 50 EHAA COC1(c2noc(C3CCN(Cc4ccccc4)CC3)n2)CCCC1 273931781 KPZXVVBVPVUFDX-UHFFFAOYSA-N 341.455 3.865 0 50 EHAA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)CC2=CCCCC2)C1 275888606 HNAOBZYJOGNPIT-QGZVFWFLSA-N 347.528 3.622 0 50 EHAA Cc1ccc(-c2ccc(C)c(NC(=O)N[C@H]3CC[C@H](O)CC3)c2)o1 281162219 WWVHJEJZLUNOLV-WKILWMFISA-N 328.412 3.988 0 50 EHAA Cc1c[nH]nc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 290567339 YBROYJSRKALTTB-OAHLLOKOSA-N 326.227 3.598 0 50 EHAA CCCCc1ccc(NC(=O)NCc2noc([C@H]3CCCO3)n2)cc1 299757377 IKYIZALFMMUOJW-OAHLLOKOSA-N 344.415 3.585 0 50 EHAA CCn1ncnc1[C@@H](C)NC(=O)Nc1cccc(OC2CCCC2)c1 299792424 GLSAERJRMNNPKL-CYBMUJFWSA-N 343.431 3.502 0 50 EHAA c1ccc(CN(Cc2coc3ccccc23)[C@@H]2CCCNCC2)nc1 328639841 PRGXMRXNXBCXNS-LJQANCHMSA-N 335.451 3.972 0 50 EHAA FC(F)(F)c1csc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)n1 377767044 LXAXLVBDHYIKIE-GXFFZTMASA-N 332.391 3.695 0 50 EHAA CC1(C)CN(C(=O)c2ccccc2-c2nc[nH]n2)C[C@@H]1c1ccccc1 426528069 SKZKPDWYACFRIZ-GOSISDBHSA-N 346.434 3.738 0 50 EHAA CSC[C@@H]1CCCN(C(=O)NCc2c(C)ccc3ncccc23)C1 670456687 BHXUKKNGUGFSNK-OAHLLOKOSA-N 343.496 3.828 0 50 EHAA Cc1cc([C@H](C)NC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c(C)o1 886095405 VENQYXBZZULJDJ-MOFZMDFASA-N 331.460 3.675 0 50 EHAA O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)N1C[C@H]2C[C@H]2C1 887602958 NWPSENDVNDJKDR-SCTDSRPQSA-N 345.446 3.961 0 50 EHAA Cc1cc(C)n(C[C@H](C)NCCc2cccc(C(F)(F)F)c2)n1 952969306 ATQBESNMCRWTHO-ZDUSSCGKSA-N 325.378 3.740 0 50 EHAA CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Nc1nnc2ccccn12 1332727867 XLXLOHCHWGNWQX-OAHLLOKOSA-N 335.411 3.529 0 50 EHAA Cc1cc(F)ccc1N1CCC(N(C)CCC[C@H]2CCCO2)CC1 1529151507 DIVGXSVFKVNAEX-IBGZPJMESA-N 334.479 3.994 0 50 EHAA COc1ccc(-c2cccc(-c3nc(C)nn3[C@@H]3CCOC3)c2)cc1 1772806141 ZISUEZDDHGQFPG-GOSISDBHSA-N 335.407 3.891 0 50 EHAA CC1(C)C[C@@H](n2ccnc2-c2cnn3cccnc23)c2ccccc2O1 1857668485 HURGVACHHNHMJO-MRXNPFEDSA-N 345.406 3.743 0 50 EHAA O=C(O)Cc1ccc(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)cc1 1875268949 XTOJOVGDRMTGAE-HNNXBMFYSA-N 343.345 3.555 0 50 EHAA CC(C)(C)c1ccc(OC[C@@H]2C[N@]2CC2CC2)c(-n2cccn2)c1 1875384052 CBLGUVMUJPEJTL-JTSKRJEESA-N 325.456 3.643 0 50 EHAA Cc1cc(CN)cc(NC(=O)c2sc3nc(C)nc(C)c3c2C)c1 2325751385 PYENFTYZQUCZBS-UHFFFAOYSA-N 340.452 3.636 0 50 EHAA C[C@H]1CN(C(=O)[C@H]2CCOc3ccc(Cl)cc32)c2cnccc21 2325786601 FMCNVLIOJPRKSD-FZMZJTMJSA-N 328.799 3.751 0 50 EHAA O=C1C[C@H](c2ccccc2C(F)(F)F)c2cc3c(cc2N1)OCO3 94995 CJUCOCQEZCGITM-SNVBAGLBSA-N 335.281 3.908 0 50 EHAA CC1(C)C(=O)O[C@@H](c2cccc(Br)c2)C(C)(C)C1=O 170426 MUUYYPIDNILNIB-NSHDSACASA-N 325.202 3.669 0 50 EHAA COc1ccc(CNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 460751 FCASITMGDWCZQQ-JSGCOSHPSA-N 328.239 3.903 0 50 EHAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 484062 QWHZBNHBBJIOFC-UWVGGRQHSA-N 338.816 3.779 0 50 EHAA Nc1ccc(Oc2ccc(Cl)cc2S(=O)(=O)O)c(Cl)c1 2165087 RSMQUWVTBSMHJV-UHFFFAOYSA-N 334.180 3.615 0 50 EHAA CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2Cl)C[C@H]1C(=O)O 4241328 MOXTXGGTGJQIBX-RISCZKNCSA-N 339.819 3.593 0 50 EHAA CC(=O)Nc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5519139 WMMHANRRDBYZRY-UHFFFAOYSA-N 327.428 3.735 0 50 EHAA CCN(CC)C(=O)[C@H](C)Sc1cc(-c2ccccc2)nc(C)n1 12000966 LMLTYZVJSYHWFB-ZDUSSCGKSA-N 329.469 3.801 0 50 EHAA O=C(C1=CCCCC1)N1CCC(CO)(Cc2ccccc2Cl)CC1 12584810 IMDISWHBYINGPV-UHFFFAOYSA-N 347.886 3.984 0 50 EHAA CN(C(=O)c1coc(COc2ccc(F)cc2)n1)C(C1CC1)C1CC1 12586171 JMPNGXWBUYTSOZ-UHFFFAOYSA-N 344.386 3.653 0 50 EHAA O=c1c2c3c(sc2ncn1C1CCCC1)C[C@@H](N1CCCC1)CC3 14989462 UATXXVNCLHIZTE-AWEZNQCLSA-N 343.496 3.526 0 50 EHAA CCCOc1ccc2cc(S(=O)(=O)Nc3ccccn3)ccc2c1 16652509 OSDRMMHSAAVONQ-UHFFFAOYSA-N 342.420 3.824 0 50 EHAA CC(C)N(C(C)C)S(=O)(=O)c1ccc(NC2CCCCC2)nc1 20638262 BZQMQSYTVUKBSO-UHFFFAOYSA-N 339.505 3.634 0 50 EHAA CCCCn1cc(-c2cc(C(=O)N(C)C)c3cc(F)ccc3n2)cn1 23251698 JJPGINXNHGGMGW-UHFFFAOYSA-N 340.402 3.739 0 50 EHAA CCCn1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)c1C 65403809 DYRJKCPSLJMDGF-RLLQIKCJSA-N 347.503 3.907 0 50 EHAA Cc1ccc(C(=O)N2CC[C@@H](c3sccc3C)[C@H](O)C2)cc1C 65429725 MXGDHVCQDAQBOF-IAGOWNOFSA-N 329.465 3.664 0 50 EHAA Cc1ncccc1C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67490387 RLSODIPDDSUUED-LEWJYISDSA-N 346.430 3.534 0 50 EHAA O=C(Nc1ccccc1F)c1ccc(-c2ccc(F)cc2)[nH]c1=O 71375800 AUEHTCUVMOMUEO-UHFFFAOYSA-N 326.302 3.572 0 50 EHAA Cn1cc(Cl)c(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)n1 71774590 XZUVKUFDAFOCRJ-AWEZNQCLSA-N 349.837 3.698 0 50 EHAA CCc1cc(N[C@H](C)c2cnn(-c3ccccc3)c2)n2nccc2n1 72476246 YWDVMZJYHOMPAO-CQSZACIVSA-N 332.411 3.651 0 50 EHAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccccn1 91439930 MNFHTCUTDGBFLE-MRXNPFEDSA-N 334.419 3.751 0 50 EHAA Cc1cc(C(=O)N(C)Cc2nncn2C(C)C)c(-c2ccccc2)o1 91452180 WWTINACNKQUHEC-UHFFFAOYSA-N 338.411 3.700 0 50 EHAA Cc1cc(C)nc(CN(C)C(=O)c2ccc([C@H]3CCCO3)s2)c1 91594502 SXXBRBYFBXVDRB-OAHLLOKOSA-N 330.453 3.884 0 50 EHAA Cc1[nH]ccc1C(=O)N1CCC(c2nccn2Cc2ccccc2)CC1 95497835 FXWSHRKJMCEFBE-UHFFFAOYSA-N 348.450 3.588 0 50 EHAA Cc1ccc2nc(C)c(C)c(C(=O)NCC[C@@H](C)n3ccnc3)c2c1 95524315 KSLJUNNJPCLDRS-CQSZACIVSA-N 336.439 3.738 0 50 EHAA CC(C)c1nc2ccc(NC(=O)N3CC(c4ccccn4)C3)cc2[nH]1 96165793 ABVYOEABQPUOFC-UHFFFAOYSA-N 335.411 3.713 0 50 EHAA CN(Cc1ccc(Br)s1)C(=O)Nc1cccnc1 138068772 DQBHUXNCUFUALW-UHFFFAOYSA-N 326.219 3.570 0 50 EHAA CCOC(=O)[C@@H]1CC[C@H](Nc2cccc(-c3nnco3)c2)C[C@@H]1C 162169377 XWXCYSKGPLMKRD-VBNZEHGJSA-N 329.400 3.516 0 50 EHAA O=C(c1ccccc1OC(F)F)N1CC[C@@]2(C1)OCc1ccccc12 186898728 RABAMIHGGPJPQM-IBGZPJMESA-N 345.345 3.560 0 50 EHAA C[C@H](c1nc(C2CC2)no1)N1Cc2cccc(Br)c2C1 186916478 VQWHZVACWYVZNZ-SECBINFHSA-N 334.217 3.786 0 50 EHAA CCCn1nc(C)c(CN[C@@H]2CCOc3ccc(OCC)cc32)c1C 187545034 IKDQEIYCSWMNPN-LJQANCHMSA-N 343.471 3.922 0 50 EHAA Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 189338943 RMBVVCFCJLEBHC-SJORKVTESA-N 325.456 3.983 0 50 EHAA CSc1nc(C(=O)N2CCCC[C@H]2c2nccs2)cs1 219121515 DUAPKICXTDXIGE-JTQLQIEISA-N 325.484 3.689 0 50 EHAA Cc1ccc(-c2nn3c(-c4c(C)nc5ccccn45)nnc3s2)cc1 227142771 YCAWUWBXZGMJAA-UHFFFAOYSA-N 346.419 3.784 0 50 EHAA C[C@@H]1CN(C)[C@H](C)C[C@H]1N[C@H]1CCCc2cc(OC(F)F)ccc21 247135706 VVRJVEBKDAHHAI-COCCGSRQSA-N 338.442 3.984 0 50 EHAA COc1cc(F)cc(N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 252584432 AJUZAFKKMUURQP-AUUYWEPGSA-N 329.419 3.552 0 50 EHAA COC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253595899 KLFNSLGQRNVSJM-MPVKILFTSA-N 346.467 3.566 0 50 EHAA Cc1cccc(F)c1NC(=O)N[C@H]1CCO[C@H](c2cccnc2)C1 296933022 UWMDHMVIAOCPJL-HOCLYGCPSA-N 329.375 3.571 0 50 EHAA O=C(Nc1ccc(SCc2ccco2)cc1)N1CCCC[C@H]1CO 299799286 QVULTCGEUCKYNU-HNNXBMFYSA-N 346.452 3.951 0 50 EHAA Cc1ccc([C@@]2(C(=O)NCc3cncn3CC(C)C)CC2(C)C)cc1 299800491 SRCYXZWQXQYTEO-OAQYLSRUSA-N 339.483 3.832 0 50 EHAA COC[C@H]1CCCCN(C(=O)c2oc(-c3ccccc3)nc2C)C1 368769732 IYAIQMPNYQRZKF-HNNXBMFYSA-N 328.412 3.539 0 50 EHAA CCCCN(Cc1ccc(C)s1)C(=O)NC[C@H]1CCCCN1C 426596424 CSNMLIAAFQLJSW-MRXNPFEDSA-N 337.533 3.853 0 50 EHAA COCCC[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2)C1 426662267 PBHOVTLPPJYTSY-INIZCTEOSA-N 338.879 3.731 0 50 EHAA CCCCn1ncc(NC(=O)N2Cc3ccccc3OC[C@@H]2C)c1C 679883200 UAHYMLIUDLQPDE-AWEZNQCLSA-N 342.443 3.807 0 50 EHAA COc1ccccc1[C@H](CNc1nc2cnccc2n1C)OC(C)C 865683403 YCZKGRFIUDOXLD-SFHVURJKSA-N 340.427 3.555 0 50 EHAA COc1cccc(SCC(=O)N(Cc2ccc(O)cc2)C2CC2)c1 952968091 ARZVDPMFTSEJCE-UHFFFAOYSA-N 343.448 3.684 0 50 EHAA CC[C@@H](CC(F)F)Cn1c(=O)ncn1-c1ccc(C(F)(F)F)cc1 1166346444 SEOJNYRYGCIIRI-JTQLQIEISA-N 349.303 3.734 0 50 EHAA C[C@H]1CCC[C@H](OCc2nnc(-c3nnc(-c4ccccc4)o3)o2)C1 1328405581 ZJMHVIXPTZNASZ-JSGCOSHPSA-N 340.383 3.882 0 50 EHAA Cc1cc(F)ccc1N1CCC(N2CC(N3CCCC[C@@H]3C)C2)CC1 1506405550 GAOKETQLISUULW-KRWDZBQOSA-N 345.506 3.662 0 50 EHAA CCN(Cc1ccc2cc(NC(C)=O)ccc2n1)C[C@@H]1CCCCO1 1506425312 OPLXNHSBCMATJQ-IBGZPJMESA-N 341.455 3.584 0 50 EHAA C[C@H]1CN(Cc2cnc(-c3cccs3)nc2)CC[C@]1(O)C1CCC1 1565514386 NNAZAXOMHUNPQA-IFXJQAMLSA-N 343.496 3.578 0 50 EHAA CCc1ccc(CN2CCN3[C@H](COC[C@H]3c3ccccc3)C2)s1 1615739198 HEJQIQMKMGZDBE-PXNSSMCTSA-N 342.508 3.568 0 50 EHAA Cc1n[nH]cc1CN[C@H]1CCN(Cc2ccccc2)c2ccccc21 1775986741 VWVHDCDSBRYGAG-FQEVSTJZSA-N 332.451 3.959 0 50 EHAA Cc1cnn2cc[nH]c(=NCC(C)(c3ccccc3)c3ccccc3)c12 1875336395 ZBGLIBZCZPURFY-UHFFFAOYSA-N 342.446 3.878 0 50 EHAA O=C(N[C@@H]1CCSc2ccccc21)[C@H]1CSc2ccccc2O1 2325728429 BUGVJBYDQQHWQE-UKRRQHHQSA-N 343.473 3.893 0 50 EHAA Cc1nc([C@@H]2CCCN(c3nnc(-c4ccc(F)cc4)o3)C2)[nH]c1C 2325780541 RZLZWSDBSASMPD-CQSZACIVSA-N 341.390 3.600 0 50 EHAA O=C(CCc1ccccc1Cl)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356134448 NTKUPOULMHSCOQ-IBGZPJMESA-N 343.858 3.502 0 50 EHAA O=C(c1cc(C2CC2)nc2ccccc12)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356136459 VQLCTYVJBAXJMM-ZSHCYNCHSA-N 336.435 3.630 0 50 EHAA c1cc2c(s1)C1(CCN(c3ccc4c(n3)CCC4)CC1)OCC2 2356143529 LQYULXIDQOUGLN-UHFFFAOYSA-N 326.465 3.700 0 50 EHAA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(C)cc2)NC(=O)N1 70837 BWDDWLNKKBXBFX-SFHVURJKSA-N 335.407 3.570 0 50 EHAA COc1ccc(Oc2coc3cc(OC(C)=O)ccc3c2=O)cc1 120941 JVCGXSLOXXMPEV-UHFFFAOYSA-N 326.304 3.519 0 50 EHAA biogenic COC(=O)c1ccccc1NC(=O)CCSc1ccc(C)cc1 470179 DBWIEMJHQGDJCH-UHFFFAOYSA-N 329.421 3.903 0 50 EHAA O=C(Nc1ccccc1Br)c1cc(=O)c2ccccc2o1 2616471 GOPKWNUHDIIMPF-UHFFFAOYSA-N 344.164 3.808 0 50 EHAA Oc1nc(/C=C/c2cc3c(cc2Cl)OCO3)cc(C(F)(F)F)n1 4993185 UOFKSLHDWCZIBW-OWOJBTEDSA-N 344.676 3.754 0 50 EHAA CC[C@]1(C)Oc2ccc(NC(=O)[C@H](C)c3c(C)n[nH]c3C)cc2O1 135271138 IWBSGQIXZKBLOQ-MLCYQJTMSA-N 329.400 3.666 0 50 EHAA CCCN(Cc1ccc(OC)cc1)C(=O)c1cccc(C(C)=O)c1 55198389 KBMYACYXNZZKOP-UHFFFAOYSA-N 325.408 3.950 0 50 EHAA Cc1n[nH]c(C)c1CC(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1 225541329 DUOBPVGYJSFZCU-UHFFFAOYSA-N 338.411 3.986 0 50 EHAA CCCN1CCC[C@H]1c1ccc(C(=O)Nc2nc(C)ns2)s1 20326501 VDADZDMMNJJJGL-NSHDSACASA-N 336.486 3.707 0 50 EHAA CCCCC(=O)Nc1ccc(NC(=O)[C@@H](C)n2ccnc2C)cc1 55242907 LMXFUUUCAHJUPA-CYBMUJFWSA-N 328.416 3.520 0 50 EHAA Cc1cc(C)n([C@@H](C)c2nc(C)nn2-c2cccc3cccnc23)n1 63870840 BKJOHICZTPTBTN-AWEZNQCLSA-N 332.411 3.547 0 50 EHAA C[C@@H](c1ccon1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1 67886666 DVVQBPDJEFOZPL-AWEZNQCLSA-N 333.395 3.577 0 50 EHAA CN1CCC(NC(=O)c2ccc(CSc3ccccc3)cc2)CC1 61497289 YHQZKFLIWGJRBS-UHFFFAOYSA-N 340.492 3.803 0 50 EHAA O=C([C@@H]1C[C@H]1C1CC1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 246615448 XGTBZMJFGFBGBK-BBWFWOEESA-N 337.423 3.836 0 50 EHAA COc1ccc(OC)c2c1CN([C@H]1CCCc3ccccc31)C[C@H]2O 247888156 LTTAMEKSNPHXFV-ZWKOTPCHSA-N 339.435 3.630 0 50 EHAA COc1ccc(Cl)cc1-n1nc(C(C)C)nc1-c1cnccn1 65398063 CXJBNAPUBDTEIX-UHFFFAOYSA-N 329.791 3.510 0 50 EHAA Cc1cc(N(C)Cc2cc(C(C)(C)C)n[nH]2)nc(-c2cccnc2)n1 65466188 PTWVEFVKDQKVHO-UHFFFAOYSA-N 336.443 3.504 0 50 EHAA CCc1onc(C)c1NC(=O)N[C@H](c1ccccc1)c1nccs1 119126930 NFGICKYPYXJUOE-OAHLLOKOSA-N 342.424 3.913 0 50 EHAA CC(C)Cn1c(CC2(CC(=O)N(C)C)CCCC2)nc2cccnc21 77321867 HMIYRXXVKGAQFQ-UHFFFAOYSA-N 342.487 3.669 0 50 EHAA COc1ccc(-c2ccc(C)c(NCc3nnc4n3CCCC4)c2)cn1 253397792 AXJWECQTXODZJZ-UHFFFAOYSA-N 349.438 3.606 0 50 EHAA Fc1ccc(Nc2nccc(N3CCN(c4ccccc4)CC3)n2)cc1 253449337 GQICYBLQDIRLHL-UHFFFAOYSA-N 349.413 3.686 0 50 EHAA C[C@H](c1cccnc1)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 253630239 PGOVWNRZGZGMPF-QAPCUYQASA-N 333.439 3.807 0 50 EHAA c1cc([C@H]2CCCN(Cc3cnc(C4CCCCC4)nc3)C2)ncn1 215661355 CZGKKMOUVKZHGL-SFHVURJKSA-N 337.471 3.694 0 50 EHAA COc1cc(F)cc(NC(=O)c2cnn(-c3ccccc3Cl)c2)c1 155016113 SXNZVMMHZXYJRC-UHFFFAOYSA-N 345.761 3.926 0 50 EHAA O=C(CCCOCCc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 239672695 BUTLQMCVPZNKQR-SSSFQFABSA-N 341.495 3.967 0 50 EHAA Cc1cn2c(CCC(=O)N[C@@H]3C[C@H]3c3ccccc3C)csc2n1 156092458 YJHVAYDRQIYJGO-DLBZAZTESA-N 339.464 3.618 0 50 EHAA c1ccc(-c2noc(CNc3ccccc3O[C@H]3CCOC3)n2)cc1 127533306 QBAYQMOVYNAGQL-HNNXBMFYSA-N 337.379 3.516 0 50 EHAA CCC[C@H]1CCc2nc(NC(=O)[C@@H](C)c3cncnc3)sc2C1 333533799 YMESCVDJUJGYLL-RYUDHWBXSA-N 330.457 3.580 0 50 EHAA Cc1ccc(OC2(C(=O)O)CCN(C[C@H]3CC=CCC3)CC2)cc1 72432094 BKRRGLPLPFFDTP-KRWDZBQOSA-N 329.440 3.649 0 50 EHAA CCCOc1c(CN2CCC[C@H]2c2cnn(C)c2)cccc1OCC 131894684 OREFTDWPJPBEGI-SFHVURJKSA-N 343.471 3.945 0 50 EHAA CC(C)(c1ccc(F)cc1)C1(NC(=O)CCc2nccs2)CC1 456761894 YZIAVXBZMUTVJI-UHFFFAOYSA-N 332.444 3.841 0 50 EHAA CC(C)c1cc([C@H]2CCCN2C(=O)c2cnc3ccccc3n2)no1 222374522 WGHUVOUDHITVLN-QGZVFWFLSA-N 336.395 3.719 0 50 EHAA CCCCn1nc(C2(c3ccccc3)CC2)nc1-c1cc(C(C)=O)n[nH]1 96166496 CGAJMGGSGHILAK-UHFFFAOYSA-N 349.438 3.751 0 50 EHAA CCOC(=O)c1ccc(NC(=O)N(CC)[C@@H]2CCOC(C)(C)C2)cc1 97775541 NCGDFOXCTXPSID-MRXNPFEDSA-N 348.443 3.675 0 50 EHAA Cc1nc(NCCN2CC[C@@H](c3ccccc3C)C2)c2cccnc2n1 95385944 VQJOTFBLFGOCQZ-QGZVFWFLSA-N 347.466 3.543 0 50 EHAA Cc1ccc(C)n1CC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 253414925 ZBULGRBDAKYEAK-GOSISDBHSA-N 336.439 3.735 0 50 EHAA COc1ccc(F)cc1-c1cccc(C(=O)NC[C@@H]2CCCOC2)c1 299765959 YJDCIGJIIISBOX-AWEZNQCLSA-N 343.398 3.658 0 50 EHAA CCOc1ccc(NC(=O)N[C@@H](CC)c2cnn(C)c2)cc1Cl 299783236 YZVUSUSZAPHTBF-AWEZNQCLSA-N 336.823 3.745 0 50 EHAA Cc1ccc(-c2ccc(C(=O)NCCc3scnc3C)cc2)o1 825197831 NDRJSIBXFJLTOU-UHFFFAOYSA-N 326.421 3.992 0 50 EHAA CCOc1cccc(C(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)c1 823390576 CKMLJFFXDGXGHS-CQSZACIVSA-N 338.407 3.853 0 50 EHAA O=C(CCc1ccccc1F)NC1CCN(Cc2cccs2)CC1 828014947 LLJSOQXRKTXOJQ-UHFFFAOYSA-N 346.471 3.601 0 50 EHAA C[C@H]1CN(C(=O)NCc2ccc(-c3ccccc3Cl)o2)C[C@@H](C)O1 584887409 UMFVULZBDGHMTP-BETUJISGSA-N 348.830 3.919 0 50 EHAA C[C@@H]1CCCC[C@@]1(C)NC(=O)Nc1ccnc(OCC(F)(F)F)n1 1466867897 PIIJBXUANCVCIP-QMTHXVAHSA-N 346.353 3.508 0 50 EHAA Cc1cnn([C@H]2CCCN(C(=O)N[C@@H](C)c3cccc(F)c3F)C2)c1 165897968 FOIPFHFJRMYLQP-KBPBESRZSA-N 348.397 3.577 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ncc(-c2ccccc2)o1 274786030 MBSDUOIOZVPWBB-PMPSAXMXSA-N 326.396 3.559 0 50 EHAA CSCC[C@H](NCc1ccc(-c2ccc(F)cc2C)o1)C(=O)O 170612849 HABFBAQZJNRXCX-HNNXBMFYSA-N 337.416 3.690 0 50 EHAA CCOc1cc(C)ccc1CNC(=O)c1ccncc1C(F)(F)F 193106764 BPOOTPIAUCUGAW-UHFFFAOYSA-N 338.329 3.738 0 50 EHAA CC(C)n1c([C@@H]2CCCN(Cc3ccnc(N)c3)C2)nc2ccccc21 193428155 RYUMLOXPNXUZAN-QGZVFWFLSA-N 349.482 3.974 0 50 EHAA CC(C)Oc1ccc2ccccc2c1CN[C@H]1CC=CC[C@@H]1C(N)=O 1616105807 DUJXALVEZWHJCP-HKUYNNGSSA-N 338.451 3.537 0 50 EHAA Cc1cccc([C@@H]2CCCN(CC(=O)NCc3ccccc3F)C2)c1 1529106757 RIKAXKACYGVVNH-LJQANCHMSA-N 340.442 3.630 0 50 EHAA O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(F)cc1Cl 6726689 VVCJZHKEGUGILZ-UHFFFAOYSA-N 334.763 3.645 0 50 EHAA Cc1nc(N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c2[nH]ccc2n1 1857702765 CAAFTSMNTOYIDM-CQSZACIVSA-N 346.438 3.602 0 50 EHAA O=C(N=c1cc(-c2cccc(F)c2)o[nH]1)N1C[C@@H]2CCCC[C@H]2C1 408451937 LHZFWVDUWOVHDM-KBPBESRZSA-N 329.375 3.557 0 50 EHAA c1ccc([C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H](C3CC3)O2)cc1 1875244096 LYVIXIDYUMCYSP-LEWJYISDSA-N 337.419 3.767 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2cccc3c2NCCC3)C[C@H](C2CC2)O1 1875247755 QYUGXBMBBVICFG-IEBWSBKVSA-N 342.483 3.855 0 50 EHAA Cc1noc(C)c1CCC(=O)N1CC(c2ccccc2)(C(C)C)C1 412789829 CBYZUJHOVZMQHN-UHFFFAOYSA-N 326.440 3.660 0 50 EHAA O=C(Nc1nc2c(ccc3ccccc32)s1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 901272599 ZHOYMXXMFIYTOK-RBUCKAEESA-N 336.416 3.811 0 50 EHAA O=C(Nc1ncc(-c2ccccc2)cn1)[C@H]1CCOC2(CCCC2)C1 905024555 MUSWSEDRYZUAAO-INIZCTEOSA-N 337.423 3.822 0 50 EHAA CC[C@H]1CC[C@@H](C)N(C(=O)c2cccc(Nc3cnn(C)c3)c2)C1 952845363 BOLIGLBHICIBLT-CABCVRRESA-N 326.444 3.814 0 50 EHAA CN(C)C/C=C/C(=O)N[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 1875375502 FSCKVFZRYSEFOE-YFWHOBGESA-N 340.389 3.576 0 50 EHAA C[C@@]1(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)CCC[C@@H]1O 1875338759 KSBUNHVFYRHWAW-RBBKRZOGSA-N 348.446 3.723 0 50 EHAA CCO[C@@H](CNCc1sccc1C1OCCO1)c1ccccc1 888097868 RDRPJLAXIVJWGC-INIZCTEOSA-N 333.453 3.661 0 50 EHAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)c(C)c1C 94578 CAKYMEZSBJGTDN-GOSISDBHSA-N 344.480 3.923 0 50 EHAA O=C1O[C@H](C(=O)Nc2c(Cl)cccc2Cl)Cc2ccccc21 203364 KZJCPTNYCMQKFW-ZDUSSCGKSA-N 336.174 3.714 0 50 EHAA COc1ccc2c(c1)[C@@](O)(CCCN(C)C)c1ccccc1S2 4626657 LAYVFLWAVIGDLK-LJQANCHMSA-N 329.465 3.738 0 50 EHAA in-man Clc1ccc(-c2cc(CN3CCC(n4ccnc4)CC3)[nH]n2)cc1 2325812549 XYDGVEHWDLTFEG-UHFFFAOYSA-N 341.846 3.764 0 50 EHAA CCc1ccc(CN(CC(C)C)C(=O)CC2(CC(=O)O)CC2)cc1 2325820612 LIOJMBKWHRHVTN-UHFFFAOYSA-N 331.456 3.879 0 50 EHAA Cc1nc2ccc(N(C)C(=O)c3cc(-c4ccccc4)nn3C)cc2[nH]1 2325822591 CWAGPUWUSRGWPM-UHFFFAOYSA-N 345.406 3.548 0 50 EHAA CN1C[C@H](NC(=O)Nc2ccc3c(c2)C=CCCC3)CC12CCC2 2325874094 APTOUIJVSZNZCB-GOSISDBHSA-N 325.456 3.784 0 50 EHAA C[C@H](C(=O)NCc1cc(F)ccc1F)n1ccnc1-c1ccccc1 151179982 KKAOBCKZBFFVST-CYBMUJFWSA-N 341.361 3.706 0 50 EHAA O=C(NCc1ccccn1)c1cc(-c2cccnc2)nc2ccccc12 217796 PDMBUHVIEWGWQC-UHFFFAOYSA-N 340.386 3.622 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(I)cc2)cc1 252953 MOEBVDPNOPDLGV-UHFFFAOYSA-N 337.160 3.852 0 50 EHAA COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 288824 HHJBLZQALGOQEM-UHFFFAOYSA-N 325.286 3.975 0 50 EHAA Cc1ccc(C)c(N2CCN(C(=S)Nc3ccccc3F)CC2)c1 459131 MJPFMJZNWVVGOC-UHFFFAOYSA-N 343.471 3.962 0 50 EHAA CC(C)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 461538 FTOJHHKFWSNASS-UHFFFAOYSA-N 326.415 3.912 0 50 EHAA CSc1nc2c(c(OC(=O)c3ccccc3Cl)n1)CCCC2 1386872 PTYVONWKVLLEQI-UHFFFAOYSA-N 334.828 3.950 0 50 EHAA O=C(OCc1ccccc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 2983168 ZMONFJLVVPFBKU-RGEXLXHISA-N 347.370 3.794 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1 4488930 YLNKBOTVMMFBMT-LLVKDONJSA-N 342.222 3.823 0 50 EHAA CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)c1 4856691 YHGSZNXBTDPTMI-GOSISDBHSA-N 349.386 3.757 0 50 EHAA CCC(=O)Oc1ccc(C(=O)Nc2nc3ccccc3s2)cc1 4869000 TVJYEXWGOWJZID-UHFFFAOYSA-N 326.377 3.864 0 50 EHAA O=C(NC1CCCCCCC1)C1CCN(C(=O)c2cccs2)CC1 16648279 XLFHLYHJYYAEHA-UHFFFAOYSA-N 348.512 3.829 0 50 EHAA CC(=O)c1cnc2c(-c3ccc(Br)cc3)cnn2c1C 22607342 KOSQYGILGYILSX-UHFFFAOYSA-N 330.185 3.670 0 50 EHAA COc1ccc([C@@H](C)NC(=O)COc2c(C)ccc(C)c2C)cc1 55060569 CNYGEWXQCRDBLY-MRXNPFEDSA-N 327.424 3.877 0 50 EHAA Cc1cc(C)cc(OCCCN(C)C(=O)c2ncc(F)cc2F)c1 55404140 LZHIGKDVPNQQJP-UHFFFAOYSA-N 334.366 3.518 0 50 EHAA CC(=O)Nc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1 55543730 ZNQBNJUZUBQFRH-UHFFFAOYSA-N 337.467 3.584 0 50 EHAA Cc1ccc2cc(C)c(N3CCN(C4CCSCC4)CC3)nc2c1 65372456 IARNTPGDGZSFGJ-UHFFFAOYSA-N 341.524 3.869 0 50 EHAA COc1cccc2c1OCC(CN1CCC[C@H]1c1c(C)noc1C)=C2 65386469 WLISTCUVYZHPGL-KRWDZBQOSA-N 340.423 3.913 0 50 EHAA Cc1ccc(NC(=O)[C@H](C)NCCc2nc3ccccc3s2)cc1 65398435 INBHIYXZWUPVDG-AWEZNQCLSA-N 339.464 3.764 0 50 EHAA Cc1ccsc1CN(c1nc(CCN)nc2ccccc12)C1CC1 65419159 MCTPRUCJPYLIHA-UHFFFAOYSA-N 338.480 3.670 0 50 EHAA Cc1noc(C)c1[C@H]1CCCN1Cc1cccn1-c1nccs1 65422074 HBQDVAKDTBQMCS-OAHLLOKOSA-N 328.441 3.876 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1ccco1)NCc1cnc2ccccn12 65462636 DQNMIIWBTHTRHS-SFHVURJKSA-N 345.402 3.766 0 50 EHAA CC[C@@H](CO)N(Cc1ccsc1)Cc1ccc(-c2cc[nH]n2)s1 67743287 KVMJVHLNTIQSBP-AWEZNQCLSA-N 347.509 3.973 0 50 EHAA Cc1ccc(C2(O)CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc1 67867220 PEMUFVKFZINFAQ-UHFFFAOYSA-N 345.830 3.559 0 50 EHAA COc1coc(CN2CCC[C@H](CCc3ccc(F)cc3)C2)cc1=O 72161997 WHXBGWZOCHJDCI-MRXNPFEDSA-N 345.414 3.632 0 50 EHAA CC(C)(O)CCc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cc1 72409526 XYNJQXRCOPOQFY-UHFFFAOYSA-N 343.389 3.805 0 50 EHAA Cc1nc([C@@H](C)N(C)C(=O)c2cccc(-n3cccn3)c2)c(C)s1 77535742 XSFNNNUJXBCRKF-GFCCVEGCSA-N 340.452 3.779 0 50 EHAA COc1cc(CN2CCO[C@H]3CCCC[C@@H]32)cc(Cl)c1OC 91978954 OXYAWDUTOHPYHT-GJZGRUSLSA-N 325.836 3.501 0 50 EHAA CC1(C)CN(Cc2ccc(OCc3ccccn3)cc2)CC[C@]1(C)O 91997826 AHKRYNAAPOIRDS-NRFANRHFSA-N 340.467 3.644 0 50 EHAA Cc1ccc2c(NC(=O)NCCCn3nccc3C3CC3)cccc2n1 96141247 DTCPDZLCYJJWEQ-UHFFFAOYSA-N 349.438 3.829 0 50 EHAA Cc1nc(C(=O)N(C[C@@H](O)c2ccccc2)C2CCCCC2)cs1 96160791 SZONTBJXBHXWRJ-GOSISDBHSA-N 344.480 3.960 0 50 EHAA COc1ccc2c(C)c(C(=O)N3CCC[C@@]4(CCCO4)CC3)oc2c1 97730096 CEJUIDXIXXSXHZ-HXUWFJFHSA-N 343.423 3.925 0 50 EHAA CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1cccnc1)c1ccc(F)c(F)c1 110665154 MRMPXTVYAKQYBJ-CLCXKQKWSA-N 342.389 3.954 0 50 EHAA c1ccc(-n2cc(NCc3cccc(-c4cccnc4)c3)cn2)nc1 124655563 ZBNHYMDVONCSOE-UHFFFAOYSA-N 327.391 3.941 0 50 EHAA Cc1nc(CN2CCC(OC3CCCC3)CC2)nc2ccccc12 225524663 DGFGBVICDREXQU-UHFFFAOYSA-N 325.456 3.862 0 50 EHAA COc1cc([C@H](C)NCc2c[nH]nc2C)ccc1SC(F)F 225545322 AYHNOOSRNJMENE-VIFPVBQESA-N 327.400 3.892 0 50 EHAA C[C@H]1C[C@@H](C(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)CCN1C 225748369 ANLICJWSDXUMQE-AOIWGVFYSA-N 343.515 3.587 0 50 EHAA COc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1F 237344199 ZAMWBGADFXARAN-UHFFFAOYSA-N 333.378 3.769 0 50 EHAA Cc1cc([C@@H]2CCCN2C(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)no1 252475184 VLCHAGWZNJDDBU-VMGRFDJRSA-N 328.412 3.996 0 50 EHAA C[C@H](C1CCCCC1)N(C)C(=O)NCCc1cnc(C2CC2)nc1 252505426 VRJUEWJKUJRURO-CQSZACIVSA-N 330.476 3.507 0 50 EHAA CC(C)(C)c1csc(NC(=O)CC2(n3cccc3)CCOCC2)n1 253413886 VXOIIHDXEYNBAS-UHFFFAOYSA-N 347.484 3.777 0 50 EHAA CS(=O)(=O)C1(c2nc(-c3cccc4ccccc34)no2)CCCC1 267064060 HKFFUSDIOXXFTQ-UHFFFAOYSA-N 342.420 3.704 0 50 EHAA CCSc1ccc(NC(=O)N2CCN(CC(F)(F)F)CC2)cc1 299778207 MIYKEOLFAVLFMB-UHFFFAOYSA-N 347.406 3.510 0 50 EHAA Cc1nc([C@H](C)NC(=O)CCc2ccc(N(C)C)cc2)c(C)s1 299779987 RKBGPYJPRPMEPY-LBPRGKRZSA-N 331.485 3.636 0 50 EHAA O=C(CCN1C[C@@H]2CC[C@H]1C2)NCc1ccc(-c2ccc(F)cc2)o1 299785235 JXWWOTTZZUOZMH-PBHICJAKSA-N 342.414 3.576 0 50 EHAA CC1(C)CCc2sc(NC(=O)[C@@H]3CCOc4ccccc43)nc21 333752607 NXOPLEBPWSXTOL-GFCCVEGCSA-N 328.437 3.872 0 50 EHAA O=C(c1cccc(Cl)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 376231572 RYMCSAMTXDFYPI-GUDVDZBRSA-N 341.838 3.985 0 50 EHAA CC1(C)CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1c1ccccc1 426430692 KAKRNXKZAWBIOR-SFHVURJKSA-N 346.434 3.738 0 50 EHAA COc1ccccc1CN(C(=O)[C@@H](C)n1ccnc1C)C1CCCC1 426531032 VFMNPKYNSADOEC-OAHLLOKOSA-N 341.455 3.733 0 50 EHAA C[C@@]1(CNC(=O)c2csc(-c3ccc(Cl)s3)n2)CCCO1 446301861 FLBXYRUXHSBWMM-AWEZNQCLSA-N 342.873 3.824 0 50 EHAA CC1(C)[C@H]2CCCN(C(=O)Nc3cccc(Cn4cccn4)c3)[C@H]1C2 649970583 SWUFEGQDPGTPGP-WMZOPIPTSA-N 338.455 3.974 0 50 EHAA CC(C)(C)c1ccc(OCc2nc([C@@H]3CCC[C@H](N)C3)n[nH]2)cc1 827541533 GSFUQMDXACRXPS-HIFRSBDPSA-N 328.460 3.666 0 50 EHAA Cc1nn(C)cc1[C@@H]1CCCN1c1nnc(-c2cccc(Cl)c2)o1 892909744 NKUIACWGQVPOML-HNNXBMFYSA-N 343.818 3.773 0 50 EHAA Cc1cc(CNc2nc(C)nc3sc4c(c23)CCC4)cc(O)n1 894238306 JPEYHZNIKUPIFI-UHFFFAOYSA-N 326.425 3.510 0 50 EHAA COc1ccccc1-c1ncc(-c2nccn2Cc2ccon2)s1 1857684442 NZVABSSZHFSWIA-UHFFFAOYSA-N 338.392 3.719 0 50 EHAA Cc1ncc(CN2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)n1C 1875248893 WHBQHIBWYCMPBX-RBUKOAKNSA-N 327.472 3.717 0 50 EHAA c1cnc2c(c1)[C@@H](NCc1ccc(Oc3cnccn3)cc1)CCC2 1875285856 CYHNLECFVXMMJM-IBGZPJMESA-N 332.407 3.831 0 50 EHAA Cc1nc(-c2ccccc2NC(=O)[C@@H]2CCN(C)[C@H](C)C2)cs1 1875287568 PEQRMYMOPNVMTG-TZMCWYRMSA-N 329.469 3.787 0 50 EHAA O=C(N[C@H](C(=O)O)[C@@H]1CCc2ccccc21)c1ccc2ccccc2c1 1875344808 NFMJTBWVLNZRDL-UXHICEINSA-N 345.398 3.753 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)NCCCc1nncs1 2325807770 ROWSZSJOZYHITM-UHFFFAOYSA-N 348.472 3.599 0 50 EHAA Cn1cnc2ccc(-c3ccc4c(c3)CCC3(CCNCC3)O4)cc21 2325858966 IMEHRCAFYQHKMU-UHFFFAOYSA-N 333.435 3.688 0 50 EHAA Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1cc2cnccc2[nH]1 2325859170 QDFNKVWJQZNQRO-UHFFFAOYSA-N 345.450 3.997 0 50 EHAA Cc1cc(Oc2ccc(C(C)(C)C)cc2)nc(N2CCOCC2)n1 73526 ROFVYYXZLKNDGD-UHFFFAOYSA-N 327.428 3.711 0 50 EHAA NC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 117323 VDHKEWPHIHJZIN-UHFFFAOYSA-N 344.370 3.662 0 50 EHAA CCOc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 257678 UTOYBOQBWBFRHZ-UHFFFAOYSA-N 340.404 3.958 0 50 EHAA S=C(Nc1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1 309163 MZKOZQVYWBFGHD-UHFFFAOYSA-N 347.871 3.986 0 50 EHAA O=C(NCc1cccs1)c1cnn2c(C(F)F)cc(C3CC3)nc12 1068818 LMKLRHGSSSMESQ-UHFFFAOYSA-N 348.378 3.536 0 50 EHAA Cc1cccc(C)c1NC(=O)N1CCC[C@@]12CCCN(C(C)C)C2=O 2356135191 SOWYTIWYQDRWKS-HXUWFJFHSA-N 343.471 3.701 0 50 EHAA Nc1c(C(=O)c2cccs2)cnn1-c1ccc(Br)cc1 2522184 JYOSOQNCLMJKBF-UHFFFAOYSA-N 348.225 3.510 0 50 EHAA CCOC(=O)c1ccc(N[S@@](=O)C23CC4CC(CC(C4)C2)C3)cc1 3893334 HEBAKVORTLQUOA-IFDSDNRSSA-N 347.480 3.908 0 50 EHAA Cc1cc(C)c(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c(C)c1 10313951 LIEDOCDPRALRQL-UHFFFAOYSA-N 346.452 3.544 0 50 EHAA C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1cscn1 411792798 QACCATAXCNZJHS-JTQLQIEISA-N 344.358 3.537 0 50 EHAA COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCc1ccccc1)CC3 20761021 HIVAQBPEUOWXGG-UHFFFAOYSA-N 334.419 3.694 0 50 EHAA biogenic O=C(c1ccccc1F)N1CCC[C@H](COc2ccc(F)cc2)C1 62557202 MVVKRWQCFBGAHL-AWEZNQCLSA-N 331.362 3.896 0 50 EHAA CSc1ccc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)cc1 219720317 QAPHTPXTIQXXER-KRWDZBQOSA-N 342.464 3.625 0 50 EHAA Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(-n3cccc3)c2)cc1 2790068 JNQZVMNGQKFASR-MRXNPFEDSA-N 340.448 3.825 0 50 EHAA FC(F)(F)c1cc(-c2ccco2)nc(-n2nccc2C(F)(F)F)n1 2806968 HAUULJGAMYWBLV-UHFFFAOYSA-N 348.206 3.960 0 50 EHAA C[C@H](C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1)N1CCCC1 77525014 ZHAMAWZSRLWVIG-QGZVFWFLSA-N 338.451 3.922 0 50 EHAA Cc1cnc(C(=O)N2CCC(F)(c3ccccc3Cl)CC2)cn1 328586691 ZZDGBBZBRXXUON-UHFFFAOYSA-N 333.794 3.539 0 50 EHAA CCCc1n[nH]cc1C(=O)N1CCCC[C@H]1c1cccc(OC)c1 77437457 UINKYTCSYXQLPI-SFHVURJKSA-N 327.428 3.738 0 50 EHAA CC(=O)Nc1ccc(Cl)cc1NC(=O)c1nnc(C(C)C)s1 282872664 ARYSOAJMFGVIOJ-UHFFFAOYSA-N 338.820 3.526 0 50 EHAA CCCn1cc(CN2CCN(Cc3cccc(Cl)c3)CC2)c(C)n1 72156390 AAHMKYQZVKFEAH-UHFFFAOYSA-N 346.906 3.573 0 50 EHAA Nc1ncccc1CN1CCC[C@H](C(=O)c2cccc3ccccc23)C1 71756915 HCKYXAVWMZLVIU-KRWDZBQOSA-N 345.446 3.912 0 50 EHAA CCCc1nc(N[C@H](C)c2ccc(OCC)cc2)c2cnn(C)c2n1 72481014 RCOFROXNARSBEY-CYBMUJFWSA-N 339.443 3.888 0 50 EHAA Cc1nn(C)c2nc(-c3cccnc3)nc(N[C@@H](C)c3ccccc3)c12 72408871 GUDXYFYMKMIHHB-ZDUSSCGKSA-N 344.422 3.907 0 50 EHAA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCC[C@H]1c1nccs1 222965814 ALCYELOATDFSRI-ZDUSSCGKSA-N 330.438 3.572 0 50 EHAA O=C(c1ccc(-c2cccs2)cc1)N1CCCN2CCC[C@H]2C1 426739080 PMMSPGGYRNDTHJ-KRWDZBQOSA-N 326.465 3.725 0 50 EHAA Cc1cc(Cl)cc(C)c1NS(=O)(=O)c1csc(C(=O)O)c1 132527465 BSYFFHZTCSZFIT-UHFFFAOYSA-N 345.829 3.517 0 50 EHAA CN(Cc1ccc2nsnc2c1)C(=O)NCCCC1CCCC1 426530910 QLXGRKOIILJMPG-UHFFFAOYSA-N 332.473 3.803 0 50 EHAA COc1ccc(CCNC(=O)N2CCCC[C@@H]2c2ccccn2)cc1 426472742 MFKXACUUQVBZRQ-LJQANCHMSA-N 339.439 3.570 0 50 EHAA CCCCN(Cc1ccncc1)C(=O)[C@@H](c1ccc(F)cc1)N(C)C 95376166 CQTRNLYHBDUPNM-LJQANCHMSA-N 343.446 3.652 0 50 EHAA c1coc(CN2CCC[C@H](c3nc(-c4ccc5nc[nH]c5c4)no3)C2)c1 96150123 UOJZUERDLFTWSG-AWEZNQCLSA-N 349.394 3.586 0 50 EHAA Cc1cc(C)cc(NC(=O)CCN(C)[C@H](C)Cc2cc(C)ccn2)c1 244716059 LHQFJZWKXQRGDC-GOSISDBHSA-N 339.483 3.898 0 50 EHAA O=C(CC1CCCCC1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244724059 MMVNPRZBPNUMQU-UEXGIBASSA-N 343.467 3.520 0 50 EHAA Cc1nc(CC(=O)N[C@H](CC(C)(C)C)c2cccnc2)c(C)s1 252482271 DBXNZQRKPVFTOU-MRXNPFEDSA-N 331.485 3.991 0 50 EHAA Cc1nn(C(C)(C)C)cc1C(=O)Nc1n[nH]c2c(Cl)cccc12 183690363 KBJUXQMJONXWAP-UHFFFAOYSA-N 331.807 3.729 0 50 EHAA COCc1nsc(N[C@@H]2CCCc3cc(OC(F)F)ccc32)n1 267428907 WBJJSOIHELTLSK-GFCCVEGCSA-N 341.383 3.775 0 50 EHAA O=C(CCCc1nc(O)c2ccccc2n1)Nc1ccc2[nH]ccc2c1 252489755 JZGACFFRYHFVSO-UHFFFAOYSA-N 346.390 3.778 0 50 EHAA CNc1nc(C(=O)NCC2(c3cccc(F)c3)CCCC2)cs1 534578907 KIVHRLLCPDJSOU-UHFFFAOYSA-N 333.432 3.566 0 50 EHAA CCc1ccc([C@@H](C)NC(=O)N2CCC3(CCOCC3)CC2)cc1 284008186 MXGFGOKJHUMFCE-MRXNPFEDSA-N 330.472 3.912 0 50 EHAA O=C(Nc1ccc(F)nc1)N1CCC2(CCc3ccccc32)CC1 299759069 NHLGWYKNVBWCJN-UHFFFAOYSA-N 325.387 3.733 0 50 EHAA CCc1oc2ccccc2c1CN1CCC(O)(c2ccccn2)CC1 670467220 MZPJEZVRKPIVRR-UHFFFAOYSA-N 336.435 3.874 0 50 EHAA CCCN(C/C=C/c1ccccc1)C(=O)CCN1CCCCCC1=O 952970864 PWYXEARWQQIEIT-FMIVXFBMSA-N 342.483 3.731 0 50 EHAA O=C(c1c[nH]c2ncc(Br)cc12)C(Cl)(Cl)Cl 95936686 MOSBNBIYNUINNV-UHFFFAOYSA-N 342.407 3.878 0 50 EHAA in-vitro Cc1ccc([C@@H](C)C(=O)Nc2ccc(C)c(O[C@@H](C)C(=O)O)c2)cc1 170067791 IOUHBHZLGHKSOZ-CABCVRRESA-N 341.407 3.898 0 50 EHAA Cc1cccc2c1OCC[C@H]2NC(=O)c1sc(CC2CC2)nc1C 189586730 MDDSPUWEMCTAIA-OAHLLOKOSA-N 342.464 3.966 0 50 EHAA O=C(O)c1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)o1 191569441 LJKGYMNZRDKEHD-UHFFFAOYSA-N 342.282 3.557 0 50 EHAA CC(C)(C)n1cc(C(=O)N(CC2CCCCC2)c2ccccn2)nn1 191931930 IRQBMFBLSUOYBX-UHFFFAOYSA-N 341.459 3.655 0 50 EHAA COCc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(C(C)=O)c2)o1 194501456 UPIIOVLLHHZUIH-GOSISDBHSA-N 341.407 3.914 0 50 EHAA CC[C@H](C)c1ccc(NC(=S)N2CCC3(CC2)OCCO3)cc1 609767 KOILSJJENAKWPM-AWEZNQCLSA-N 334.485 3.736 0 50 EHAA Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccccc1Cl)N2 524902 QERNRJXGSNPFPY-HUUCEWRRSA-N 343.793 3.799 0 50 EHAA COc1cc2c(c(OC)c1OC)[C@@H](c1ccccc1Cl)CC(=O)N2 1058869 LTEUUEHJZLSHQP-LLVKDONJSA-N 347.798 3.840 0 50 EHAA COc1ccc(OC)c(NC(=O)c2ccc(OCC(C)C)cc2)c1 5072985 SZRGYSZRSBBNJE-UHFFFAOYSA-N 329.396 3.991 0 50 EHAA CCCCc1nnc2sc(COc3ccccc3OCC)nn12 11278226 PEFNGKGLAFZWSC-UHFFFAOYSA-N 332.429 3.506 0 50 EHAA COc1cccc(C(=O)O)c1OCc1ccc(Br)cc1 11953876 UIKFIHSUMKOQTD-UHFFFAOYSA-N 337.169 3.735 0 50 EHAA CCc1ccc(-n2nnc(-c3nnc(-c4ccccc4)o3)c2C)cc1 12274032 AOTURVRJMTYERD-UHFFFAOYSA-N 331.379 3.855 0 50 EHAA Cc1cnc(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)cn1 12459817 QHNDVGPRIVRVBA-CQSZACIVSA-N 345.393 3.548 0 50 EHAA O=C(O)CCn1c(SCCOc2ccccc2)nc2ccccc21 169336660 PHAJRNLHWLJQLC-UHFFFAOYSA-N 342.420 3.682 0 50 EHAA CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc(OC)ccc1OC 6701678 INNGUZLCZNXMOC-QGZVFWFLSA-N 329.396 3.808 0 50 EHAA CCc1ccc(O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 6746844 OGQRTQVUISJVCJ-CYBMUJFWSA-N 326.396 3.613 0 50 EHAA Cc1c(Cl)cccc1NC(=O)CCn1c(=O)oc2ccccc21 4384643 LMVFRBPDAAWWKX-UHFFFAOYSA-N 330.771 3.585 0 50 EHAA CCOc1ccccc1C(=S)N1CCN(c2ccc(F)cc2)CC1 2853756 IIWFQIBPEDCZDL-UHFFFAOYSA-N 344.455 3.722 0 50 EHAA Cc1ncnc(Nc2ccc([C@H]3CCOC3)cc2)c1Br 1857530166 NLVBHYWEXAYDOV-LBPRGKRZSA-N 334.217 3.795 0 50 EHAA CCN(CC)c1ccc(NC(=O)[C@@H]2CC[C@](C)(C(=O)O)C2(C)C)cc1 223913 DUOIEPVTIVMMNP-OXJNMPFZSA-N 346.471 3.998 0 50 EHAA CCN(CC(=O)Nc1c(Cl)cccc1Cl)c1ncccc1F 225598767 OJONAYRHPALOTJ-UHFFFAOYSA-N 342.201 3.993 0 50 EHAA Cc1cnc([C@H](C)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)o1 331878164 UQUGFIKIAXMFML-WDEREUQCSA-N 328.338 3.666 0 50 EHAA NC(=O)c1ccc(N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)nc1 343256011 YBBZZUKOVHVPBN-AWEZNQCLSA-N 349.356 3.583 0 50 EHAA C[C@H](c1c(F)cccc1F)N(C)C(=O)Cc1c[nH]c2ncccc12 362466322 YHFHTWUBPXCVHO-LLVKDONJSA-N 329.350 3.603 0 50 EHAA O[C@@H](c1cc(F)ccc1F)C1CCN(Cc2ncc(C3CC3)o2)CC1 839157833 TYDHPXSYZDLXKT-LJQANCHMSA-N 348.393 3.776 0 50 EHAA CCC(=O)c1ccc(NC(=O)C[C@H](Cc2ccccc2)C(=O)O)cc1 1875291371 WUORDNRUJMPYEC-INIZCTEOSA-N 339.391 3.551 0 50 EHAA Cc1nc2cc(Nc3nccn4nc(C(F)(F)F)cc34)ccc2n1C 1875335196 WCTJBTITGSODRY-UHFFFAOYSA-N 346.316 3.687 0 50 EHAA O=C(Nc1cccc(CCN2CCCC2)c1)c1cc2scnc2[nH]1 2325811211 BOKNQABLNOVWMU-UHFFFAOYSA-N 340.452 3.515 0 50 EHAA O=C(c1ccoc1C(F)(F)F)N1CCCC[C@@H]1C1CCOCC1 2325814350 PFPZHFKUQBOFBU-CYBMUJFWSA-N 331.334 3.720 0 50 EHAA Cc1cccc(N2CCC[C@@H](NC(=O)N3CCCCC34CC4)C2)c1 2325828711 PBKHHASNBWCQEU-QGZVFWFLSA-N 327.472 3.692 0 50 EHAA CNC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCCC2 127335 ROYGFDDXYGIKAT-UHFFFAOYSA-N 342.464 3.937 0 50 EHAA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccs2)NC(=O)N1C 321710 IISCGYNMTYMPPU-INIZCTEOSA-N 341.436 3.665 0 50 EHAA O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCCO2 1218332 YZSQSQCNLZKKSM-UHFFFAOYSA-N 339.269 3.609 0 50 EHAA CCCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 2710477 JUWHHZIOPOVNDL-UHFFFAOYSA-N 346.408 3.979 0 50 EHAA Cc1ccc(S(=O)(=O)C[C@@H](c2ccccc2)N2CCCC2)cc1 4184891 WTXPEERIMBCKLR-IBGZPJMESA-N 329.465 3.606 0 50 EHAA COc1cccc(CNCc2ccccn2)c1OCc1ccccc1 7276381 XJAYKCRJGIHQPF-UHFFFAOYSA-N 334.419 3.959 0 50 EHAA CCC[C@@H](C)c1nnc(NC(=O)c2cccc(OC)c2OC)s1 55036137 AEQZINUDPGXDBE-SNVBAGLBSA-N 335.429 3.711 0 50 EHAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1[C@H]2CC[C@@H]1CNC2 67867194 PDLQHKBLNDYTNY-KDURUIRLSA-N 333.435 3.739 0 50 EHAA O=C(O)CC1(c2ccc(Cl)cc2Cl)C(=O)c2ccccc2C1=O 22014949 VKHKXIAHIFBNAN-UHFFFAOYSA-N 349.169 3.785 0 50 EHAA Cc1cc2nc(-c3ccccc3)cc(C(=O)N3CC[C@H](O)C3)c2cc1C 119724657 GYIBSBZHKGCIOF-KRWDZBQOSA-N 346.430 3.725 0 50 EHAA CN(CC1CC1)S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 469263476 RGKFVWJBPZWEDG-UHFFFAOYSA-N 343.876 3.549 0 50 EHAA Cc1cc(N2CCC[C@@H](Cc3cccnc3)C2)nc(-c2cccnc2)n1 65406727 QXUWECNIZUYGSA-SFHVURJKSA-N 345.450 3.701 0 50 EHAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)COC(C)C)C2)cc1 67696509 JXKKUCTYIQYAJJ-KRWDZBQOSA-N 341.455 3.516 0 50 EHAA CCOc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1 205132 ZFXSMSXDGSALNJ-UHFFFAOYSA-N 339.370 3.722 0 50 EHAA O=C(Cc1ccncc1)Nc1nc2ccccc2n1-c1ccccc1 121336123 SJZWNHZHWKWEQF-UHFFFAOYSA-N 328.375 3.602 0 50 EHAA OCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 2570878 QHSMEGADRFZVNE-UHFFFAOYSA-N 341.773 3.508 0 50 EHAA biogenic,world CCCCN1CCc2[nH]cnc2[C@@H]1c1cc(C)ccc1-n1cccn1 71762803 JHGUYYCXDBOYJH-FQEVSTJZSA-N 335.455 3.651 0 50 EHAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2occc2c1 72423849 FEHLJMRYZJKZBY-UHFFFAOYSA-N 333.347 3.755 0 50 EHAA O=C(Nc1ccccc1-c1nnc[nH]1)[C@@H]1C[C@@]12CCCc1ccccc12 253418572 WQLOVMXAGFICCQ-LAUBAEHRSA-N 344.418 3.704 0 50 EHAA COc1ccc(C)cc1OCc1nc(COc2ccccc2)no1 72157848 XTYLHRYOZVLHIX-UHFFFAOYSA-N 326.352 3.545 0 50 EHAA CC(C)c1ccc(N(C)C(=O)CSc2nnc(S)s2)cc1 155783194 CKSJYNWITMKDSD-UHFFFAOYSA-N 339.511 3.705 0 50 EHAA CC[C@@H](NC(=O)c1cc(C)nc(C)c1)c1ccc(OC)c(OC)c1 215629255 QIZHRJGZGDCKQN-MRXNPFEDSA-N 328.412 3.597 0 50 EHAA CC(C)(C)[C@@H]1OCC[C@H]1c1noc([C@@H]2OCCc3ccccc32)n1 333647518 YKAIMSBMSJLSGC-BZUAXINKSA-N 328.412 3.650 0 50 EHAA Cc1nc(O)cc(C2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)n1 72137389 FBMMHAIOHASLIG-IRXDYDNUSA-N 327.472 3.662 0 50 EHAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 71257469 UIEIDXVJEYWTPT-HZSPNIEDSA-N 340.464 3.547 0 50 EHAA CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CC[C@H](O)CC1 284541564 BAXPUASIYBBGRF-FVQBIDKESA-N 343.389 3.694 0 50 EHAA C[C@H](c1ccc(-c2c(N3CCCC3)cnnc2O)cc1)N1CCCC1 426641422 SRLAFUPDIDWAIX-OAHLLOKOSA-N 338.455 3.606 0 50 EHAA O=C(CCc1ccsc1)N1CCC[C@@H]1C[C@H](O)c1cccs1 176241636 LQNUSMOSJIUUPH-CABCVRRESA-N 335.494 3.857 0 50 EHAA Cn1ccc(-c2cc(C(F)F)c3cnn(-c4ccc(F)cc4)c3n2)n1 20603132 LTKNMHAPAJGQGZ-UHFFFAOYSA-N 343.312 3.898 0 50 EHAA O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc2c(c1)C(=O)CCC2 177988445 PBNBHEWREVCYMK-FQEVSTJZSA-N 335.403 3.848 0 50 EHAA CN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 426501938 VLAGBHBIOHRLNZ-SFHVURJKSA-N 349.434 3.871 0 50 EHAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(C(C)C)n2ncnc2n1 92046599 BGSCIMZGPRAWJA-QGZVFWFLSA-N 349.438 3.533 0 50 EHAA CN1CCN([C@@H]2CCN(Cc3ccc(C4CCCCC4)s3)C2)CC1 97654199 OMNUJLIHFVINGN-GOSISDBHSA-N 347.572 3.618 0 50 EHAA COC[C@@H](c1ccccn1)N(C)C(=O)c1ccc2sccc2c1 92028604 PPAPARAEIDDMAI-INIZCTEOSA-N 326.421 3.756 0 50 EHAA O=C(Nc1ccc(-c2cscn2)cc1)N1CCC2(CCO2)CC1 299780517 BMZZKMAUQVMXRK-UHFFFAOYSA-N 329.425 3.597 0 50 EHAA O=C(CSc1ccc(Cl)cc1)NCc1n[nH]c2c1CCCCC2 670444909 DWNBKBJXPQSSPV-UHFFFAOYSA-N 349.887 3.741 0 50 EHAA COc1ccc(-c2cnc(NC(=O)C(C)(C)C(F)(F)F)n2C)cc1 1340753483 PFSVHRFCINGQGB-UHFFFAOYSA-N 341.333 3.623 0 50 EHAA CC[C@@H]1C=CCN1C(=O)C1(c2ccc(OC)c(OC)c2)CCCC1 952971818 QQVVGGMKNRBRQD-MRXNPFEDSA-N 329.440 3.693 0 50 EHAA CC(C)Oc1cccc(CNC(=O)C2(N3CCCC3)CCCCC2)c1 952869289 ZLFXOOJWRRHBFL-UHFFFAOYSA-N 344.499 3.889 0 50 EHAA Cc1ccc(Oc2ccc(NC(=O)N3CC[C@](F)(CO)C3)cc2)cc1 408515974 QUWGXHBRSRBKMJ-LJQANCHMSA-N 344.386 3.726 0 50 EHAA O=C(c1cccc([C@@H]2CCOC2)c1)N1CCS[C@H]2CCCC[C@H]21 270668038 PTAVEOJCQAHIBF-KURKYZTESA-N 331.481 3.691 0 50 EHAA O=C(Cc1ccccc1F)NCc1c(C(=O)O)sc2ccccc12 676018306 GQJCLHNJJMZTMZ-UHFFFAOYSA-N 343.379 3.598 0 50 EHAA CCO[C@H]1C[C@@H](N(C)C(=O)Cc2c[nH]c3cc(F)ccc23)C1(C)C 170636673 OGTJEJLVKISMOW-SJORKVTESA-N 332.419 3.512 0 50 EHAA Cc1c(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)ccn1C 192574957 WBFCXSHQUFSGRW-UHFFFAOYSA-N 330.391 3.925 0 50 EHAA Cc1ccccc1CNc1ccccc1NC(=O)[C@H](O)c1cccnc1 782776923 VRCWOBGJNMMAFV-HXUWFJFHSA-N 347.418 3.674 0 50 EHAA COc1cc2c(cc1OC)[C@H](c1c(F)cccc1Cl)CC(=O)N2 615834 CELBXRLWYQTIHV-SNVBAGLBSA-N 335.762 3.970 0 50 EHAA CC(C)c1cc(C(F)(F)F)c2c(n1)sc1c(O)cc(=O)[nH]c12 12382854 LILUVBAINZRPBF-UHFFFAOYSA-N 328.315 3.986 0 50 EHAA O=C(Cc1cccs1)Nc1cccc(C(=O)Nc2nccs2)c1 16625903 ROGYSEMCSYBEOC-UHFFFAOYSA-N 343.433 3.638 0 50 EHAA COc1cc(NC(=O)c2ccc(F)c(F)c2)c(OC)cc1Cl 16650777 JBNBNZDGZWAVDK-UHFFFAOYSA-N 327.714 3.888 0 50 EHAA c1ccc(-c2noc(-c3cncnc3NCCc3cccs3)n2)cc1 169775606 AUXROUCLJMMKOF-UHFFFAOYSA-N 349.419 3.910 0 50 EHAA CNC(=O)c1cc(Oc2ccc3nc(SC)sc3c2)ccn1 167829137 YAEMTDVGLZRBQD-UHFFFAOYSA-N 331.422 3.565 0 50 EHAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccnc1 4970409 WTABKXFXTAEFTF-UHFFFAOYSA-N 334.441 3.713 0 50 EHAA CCCCNCCOCCOc1ccc(Br)cc1C 3001823 GTYJXTFKEXSBKW-UHFFFAOYSA-N 330.266 3.543 0 50 EHAA CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2cc1O 6519584 PZNBYJKQNRMPNZ-UHFFFAOYSA-N 332.359 3.914 0 50 EHAA COc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 408213 VTJVOBGTZWZPAJ-UHFFFAOYSA-N 344.367 3.859 0 50 EHAA C[C@@H]1CCN(C(=O)Cc2ccc(C(=O)O)cc2)[C@H](c2ccco2)C1 263334705 NCFVGDHRGNCBRK-CJNGLKHVSA-N 327.380 3.520 0 50 EHAA CCN(C(=O)NCCCc1nc(-c2ccccn2)cs1)C(C)C 874435218 NHGYIECEYYBDDX-UHFFFAOYSA-N 332.473 3.578 0 50 EHAA C[C@H]1CN(C)CC[C@@H]1NC(=O)Cc1ccc(C2CCCCC2)cc1 1875267669 VOBCQKDVZSWVLY-JXFKEZNVSA-N 328.500 3.733 0 50 EHAA O=C(C1Cc2cscc2C1)N1CCn2cccc2[C@@H]1c1ccccc1 1875300820 RPJGHYGBUXIFAI-FQEVSTJZSA-N 348.471 3.896 0 50 EHAA Cc1cccc(C(=O)Nc2ccc(OC[C@H]3C[N@]3CC3CC3)cc2)c1 1875382260 WIZWONQTADYART-XXBNENTESA-N 336.435 3.720 0 50 EHAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cc3ccccc3o2)C1 888102760 LAPXYORBZDJQPK-WBVHZDCISA-N 325.412 3.735 0 50 EHAA CC[C@@H](CCO)CN[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1775998040 QTADBECTLMZERM-RDJZCZTQSA-N 348.487 3.871 0 50 EHAA CO[C@@](F)(C(=O)Nc1ccc(C)c(Br)c1)C(F)(F)F 2190840 GTXAREVHFGIBJA-JTQLQIEISA-N 344.102 3.571 0 50 EHAA O=C(O)C[C@H](NC(=O)c1ccco1)c1ccc(Cl)cc1Cl 4717970 RHNOVJWZGQVWNX-NSHDSACASA-N 328.151 3.532 0 50 EHAA CC(C)N(CCc1ccc(F)cc1)C(=O)c1cnc(N)c(Cl)c1 2325725122 PXNWUUYYXYTSCZ-UHFFFAOYSA-N 335.810 3.550 0 50 EHAA CN(Cc1cccc(N(C)C)c1)C1=NC[C@H](c2ccc(Cl)cc2)N1 2325864300 LTGFCPQZEKCLIS-GOSISDBHSA-N 342.874 3.538 0 50 EHAA O=C(CCCN1CCN(c2ccccc2)CC1)c1ccc(F)cc1 54933 QPHRVUMZLUQZGU-UHFFFAOYSA-N 326.415 3.611 0 50 EHAA COC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 90094 YGRXXTBSROFMPH-LBPRGKRZSA-N 346.390 3.563 0 50 EHAA CCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3c(=O)o2)cc1 99307 YPFAILPGLMBOMT-UHFFFAOYSA-N 328.755 3.857 0 50 EHAA C[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)N(C)C)C1 127480 NRLZLHBVRWYRAZ-JTQLQIEISA-N 348.493 3.889 0 50 EHAA C[C@@H]1CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4)cc1c32 2104061 QDTCCRWCVRFTJS-GFCCVEGCSA-N 349.386 3.721 0 50 EHAA CCOC(=O)c1cc(-c2ccccc2)nn1CC(=O)c1ccccc1 2520664 RXWKKVODGOYUKQ-UHFFFAOYSA-N 334.375 3.610 0 50 EHAA CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 4081122 DUHUCHOQIDJXAT-OLVMNOGESA-N 332.484 3.774 0 50 EHAA biogenic,in-man O=C([C@H]1CCCN(Cc2c[nH]c3ccccc23)C1)N1CCCCCC1 4745251 JGFSFURNCWMKBO-KRWDZBQOSA-N 339.483 3.783 0 50 EHAA CC(C)COc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 7399612 ULHGIAXLGYKJFL-UHFFFAOYSA-N 327.380 3.745 0 50 EHAA CC[C@H](O)c1nc2ccccc2n1CCOc1cccc(OC)c1 8844967 MWQIQCNXCCGMGV-SFHVURJKSA-N 326.396 3.567 0 50 EHAA COCc1ccc([C@H]2CCCN2[C@H]2CCc3ccccc3NC2=O)o1 248831907 INIZJUMRPLFTJS-MSOLQXFVSA-N 340.423 3.516 0 50 EHAA CCCN(Cc1cccnc1)Cc1nccn1-c1ccc(OC)cc1 55118841 OCSHQZTXFVNALH-UHFFFAOYSA-N 336.439 3.688 0 50 EHAA Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)Cc2ccc(O)cc2)cc1 134048372 QXJUUFIGEYBVCW-RXVVDRJESA-N 339.435 3.527 0 50 EHAA Cc1cc(CC(=O)N(Cc2ccccc2)Cc2scnc2C)on1 67673363 CEGHUXFKOJMUDG-UHFFFAOYSA-N 341.436 3.519 0 50 EHAA CCOc1cccc(OCCN2CCC[C@@H]2c2c(C)noc2C)c1 65404614 YVFHJJPMFGMTDQ-GOSISDBHSA-N 330.428 3.906 0 50 EHAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)C(C)C)CCO3)s1 67804238 SKBWMGJBMCXPRM-UHFFFAOYSA-N 331.437 3.806 0 50 EHAA CCCC[C@@H](C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)C(C)C 25573673 QKFOODXDFWWDLS-JRQWYPPZSA-N 347.499 3.672 0 50 EHAA CN(Cc1ccc(F)c(Br)c1)C[C@@H](O)c1ccccc1 23280979 UCOVVUJHUBIZDM-MRXNPFEDSA-N 338.220 3.754 0 50 EHAA CCN(CCc1nc2c(C)cccc2[nH]1)C(=O)c1ccncc1Cl 67714462 WFQFLDHNVPKKQK-UHFFFAOYSA-N 342.830 3.625 0 50 EHAA COc1ccc(OC)c(CN2CCC(c3cc(C(C)C)[nH]n3)CC2)c1 67842571 OHMPSJMMRDAPOQ-UHFFFAOYSA-N 343.471 3.930 0 50 EHAA Cc1nc2c(c(N[C@H](Cc3ccccc3)c3ccccc3)n1)CCNC2 67894909 MKCWXJOJIBNUSW-HXUWFJFHSA-N 344.462 3.827 0 50 EHAA COCc1ccc(NC(=O)Nc2cc(OC)c(OC)cc2F)cc1 252499265 RYBCTDJMBIPUNG-UHFFFAOYSA-N 334.347 3.633 0 50 EHAA COc1ccccc1C[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 34925762 DWNXFLWYBZPYPO-GOSISDBHSA-N 347.480 3.549 0 50 EHAA CCc1ccc(-c2nccn2CC(=O)Nc2ccc(C)cc2F)nc1 77302710 BIMQCURNLWOCTK-UHFFFAOYSA-N 338.386 3.594 0 50 EHAA O=C(Cc1csc(-c2ccccn2)n1)N1CC[C@H]1Cc1ccccc1 358944367 DFYLOMSRPPXYDH-KRWDZBQOSA-N 349.459 3.591 0 50 EHAA COc1ccc(CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)cc1 72422136 WWFCWVHJIVPZAD-UHFFFAOYSA-N 341.451 3.671 0 50 EHAA Cc1ccc2c(C)c(C(=O)NCC3(Cn4cccn4)CC3)oc2c1C 77439935 SDNVGLDVFGQSKF-UHFFFAOYSA-N 337.423 3.765 0 50 EHAA C[C@H](NC(=O)N(C)CCCn1ccnc1)c1ccc2ccccc2c1 131366543 IGGQLUIBYPMCMN-INIZCTEOSA-N 336.439 3.829 0 50 EHAA Cc1ncsc1CCN(C)C(=O)c1csc(-c2cccs2)n1 82097826 PFMHHGBWPQBOLA-UHFFFAOYSA-N 349.506 3.951 0 50 EHAA O=C1Nc2ccccc2S(=O)(=O)N1Cc1cccc2ccccc12 177385310 OJOCCTFDOWNXGO-UHFFFAOYSA-N 338.388 3.576 0 50 EHAA Cc1nc2n[nH]c(N)c2c(C)c1-c1cccc([C@@H](C)N2CCCC2)c1 426430925 ANVCKXUHFRNJIX-CQSZACIVSA-N 335.455 3.981 0 50 EHAA CC(C)NC(=O)Nc1ccc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 245916230 QAALMNGLMABZJY-RCCFBDPRSA-N 345.487 3.510 0 50 EHAA Cc1ccsc1CN(CC(C)C)C(=O)NCC(C)(C)N(C)C 534634121 PDXGOCPSEOEVNG-UHFFFAOYSA-N 325.522 3.564 0 50 EHAA CC(=O)c1ccc(F)cc1NC(=O)c1occc1Br 184833883 HTZWFOYSOORZOA-UHFFFAOYSA-N 326.121 3.636 0 50 EHAA CCCc1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)[nH]n1 299801019 UZZLRBCQANLLSG-YOEHRIQHSA-N 329.419 3.643 0 50 EHAA CCCSc1ccc(NC(=O)N(C)CCCn2cccn2)cc1 299769830 RHKJFRGPXWFQHU-UHFFFAOYSA-N 332.473 3.939 0 50 EHAA Cc1cc(Br)cc(C(=O)O)c1NC(=O)OC(C)(C)C 725376892 YFQZIHMTNAMPRQ-UHFFFAOYSA-N 330.178 3.803 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1csc(-c2ccco2)n1 274843362 PZQMSXBBKYVPGR-YUTCNCBUSA-N 332.425 3.621 0 50 EHAA CCS(=O)(=O)Nc1ccc(N[C@@H](C)c2ccccc2OC)cc1C 170592558 IZEVGGBXVPBDHN-AWEZNQCLSA-N 348.468 3.938 0 50 EHAA CN(C)c1cccc(CCC(=O)N2CCCC[C@@H]2c2cccn2C)c1 189193378 GQLKGCMWQONMNC-HXUWFJFHSA-N 339.483 3.778 0 50 EHAA CC1(C)[C@H](CNC(=O)NCc2ccc(C3CC3)cc2F)C1(F)F 661223414 OOPFWRMHXKKMCJ-AWEZNQCLSA-N 326.362 3.794 0 50 EHAA Cc1cccc(Cl)c1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 653542687 YNDSXIUWRULTIS-GRYCIOLGSA-N 338.835 3.905 0 50 EHAA CC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 29642 UAUZMIVRTXMDGE-UHFFFAOYSA-N 333.185 3.660 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3csc4ccccc34)C[C@@H]21 1704299942 OOQGEJUVZNEJPR-ACWOFJMJSA-N 329.465 3.915 0 50 EHAA CCOC(=O)CSc1nc(-c2cccc(C)c2)nc2c1CCCC2 477300 JJIPRRWYESBNLG-UHFFFAOYSA-N 342.464 3.986 0 50 EHAA Cc1cccc(OCCCN(C)C[C@H]2CCC(=O)N(C(C)C)C2)c1C 1775978258 PSTHVOURHYKSSM-LJQANCHMSA-N 346.515 3.651 0 50 EHAA C[C@@H](CCCC(C)(C)O)NCc1cn(C)nc1-c1ccccc1F 12057054 OUCWRBMEMUOKDX-AWEZNQCLSA-N 333.451 3.646 0 50 EHAA CC(C)N(CC1CCN(Cc2ccccc2F)CC1)C[C@H]1CCCO1 12443777 VCTVGINVQRVCKM-HXUWFJFHSA-N 348.506 3.927 0 50 EHAA Cc1cccc(-n2ncc3c2CCC[C@H]3NCc2cnn(C)c2C)c1C 14958031 PPRHRSNASQTALY-LJQANCHMSA-N 349.482 3.698 0 50 EHAA Cc1ccc(OCCNC(=O)Nc2sc(=S)n(C)c2C)cc1 1738537 IJRUHICPXBHYGU-UHFFFAOYSA-N 337.470 3.633 0 50 EHAA Cc1nn(C)c2c1[C@H](NC1CCN(c3ccccc3F)CC1)CCC2 1857680079 AQVHPFBICGGZQK-QGZVFWFLSA-N 342.462 3.504 0 50 EHAA CCCC[C@@H]1CN(C(=O)CCc2ccc(O)cc2)C[C@H](C2CC2)O1 1875249618 JWUMUGHRFSZNPU-RTBURBONSA-N 331.456 3.521 0 50 EHAA Cc1csc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)c1Cl 239619491 BEXRIXHVYOHYNB-UHFFFAOYSA-N 338.791 3.986 0 50 EHAA O=C(c1cc(Cl)cc(Cl)c1O)N(Cc1ccncc1)C1CC1 930474583 RYDAWTZNUIQLBX-UHFFFAOYSA-N 337.206 3.899 0 50 EHAA CC[C@H]1CCCc2sc(NC(=O)c3cncc(C(=O)O)c3C)nc21 1875277165 BEFSGFJLNXSOMG-JTQLQIEISA-N 345.424 3.627 0 50 EHAA CC12CC(NC(=O)c3cc(-c4ccco4)nc4ccccc34)(CCO1)C2 1875311763 MTLSEVUDIOIMEX-UHFFFAOYSA-N 348.402 3.936 0 50 EHAA CC(C)OC(=O)Nc1ccc(OC[C@@H]2C[N@]2CC2CC2)c(Cl)c1 1875385163 NNOMPEVJRQUSCR-XOBRGWDASA-N 338.835 3.770 0 50 EHAA O=C([C@@H]1CNCC12CCCC2)N1C[C@H]2CCCC[C@@]21c1ccccc1 1875336041 QRICURPLLGWKBL-XQBPLPMBSA-N 338.495 3.694 0 50 EHAA CCCCOc1ccc([C@H](C)NC(=O)C[C@@H]2CCC(=O)C2)cc1OC 1775992806 VKEODZUTHWPGRO-LSDHHAIUSA-N 347.455 3.811 0 50 EHAA O=C(NC1CCC(C(=O)O)CC1)c1ccc(C2CC(F)(F)C2)cc1 2325798776 ACAMLAOYIQQKAF-UHFFFAOYSA-N 337.366 3.573 0 50 EHAA CCc1cc2c(NCc3ccc(CN)cc3F)nc(C)nc2s1 2325859705 HVBIOMWSNDIVMH-UHFFFAOYSA-N 330.432 3.772 0 50 EHAA Nc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1 105017 SWRLSFMRCDKQRT-UHFFFAOYSA-N 346.438 3.914 0 50 EHAA O=C(c1ccccc1Cl)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 196572 VFRCJZKXIMFQMA-HZMBPMFUSA-N 346.736 3.593 0 50 EHAA c1ccc(CNc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1 300006 HZUYAILRHJSXJH-UHFFFAOYSA-N 327.391 3.941 0 50 EHAA COc1ccc(-n2ncc3c(NCc4ccc(F)cc4)ncnc32)cc1 426507 JMOPBBZZODKSDJ-UHFFFAOYSA-N 349.369 3.575 0 50 EHAA COc1cc(NC(=O)c2ccccc2Cl)c(OC)cc1NC(C)=O 433533 UZZYQMCKIMHHQO-UHFFFAOYSA-N 348.786 3.568 0 50 EHAA NC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 493252 HPORDFMVSYBZPO-UHFFFAOYSA-N 330.387 3.556 0 50 EHAA Fc1ccc(CNC(=S)Nc2cccc(Cn3cccn3)c2)cc1 609591 SLWQLAMHZSEUPS-UHFFFAOYSA-N 340.427 3.557 0 50 EHAA Cc1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Cl 1173968 NJVFAPYRHZDBKS-UHFFFAOYSA-N 330.236 3.780 0 50 EHAA O=c1cc(O)c2sc3nc(C4CC4)cc(C(F)(F)F)c3c2[nH]1 1275840 NWGYIIHUWDPLQR-UHFFFAOYSA-N 326.299 3.740 0 50 EHAA Cc1cccc(NC(=O)CCC(=O)O[C@H](C)C(=O)c2ccccc2)c1 2998609 JHDVTFKRJCLQOA-OAHLLOKOSA-N 339.391 3.528 0 50 EHAA Ic1ccc(OCCCN2CCCCC2)cc1 3106129 SBZXROKCONSCHA-UHFFFAOYSA-N 345.224 3.546 0 50 EHAA COc1nc(Sc2ccc(Cl)cc2)nc(N2CCCCC2)n1 5050956 KOCWOACFEGAUSB-UHFFFAOYSA-N 336.848 3.675 0 50 EHAA CC(=O)c1ccc(OC[C@@H](O)CN(Cc2ccccc2)C(C)C)cc1 5498146 AMABLECQHVLNJT-FQEVSTJZSA-N 341.451 3.540 0 50 EHAA Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c(C)c1 6556642 FXSTVAXGEQIMCN-UHFFFAOYSA-N 338.436 3.819 0 50 EHAA O=S(=O)(c1ccc(Br)cc1)n1ccc2ccccc21 6680664 ZJXVKDOITQFQHU-UHFFFAOYSA-N 336.210 3.641 0 50 EHAA CCOc1ccccc1N1CCN(C(=O)Nc2cccc(C)c2)CC1 6698589 VZYIEMIHPIHXAE-UHFFFAOYSA-N 339.439 3.748 0 50 EHAA Cc1ccc(N2CCN(C(=O)Nc3cccc(F)c3)C[C@@H]2C)cc1 6715540 VTQWNIMTXKHDMA-HNNXBMFYSA-N 327.403 3.877 0 50 EHAA COc1cccc(OCc2ccc(C(=O)NCc3cccnc3)cc2)c1 6896150 IZRSZDQUJBXYDO-UHFFFAOYSA-N 348.402 3.599 0 50 EHAA Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@@H](c1ccco1)C2 8992857 NQZVXUIDMFJEHC-LBPRGKRZSA-N 332.363 3.563 0 50 EHAA CC(=O)CCC(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 12474441 LFDSKAYGZDCCAL-IBGZPJMESA-N 337.419 3.630 0 50 EHAA CCCn1c(C)c(CC(=O)N(C)C(C)C)c2c1CC(C)(C)CC2=O 14967284 WMXSIXNJFBUQPA-UHFFFAOYSA-N 332.488 3.771 0 50 EHAA COc1ccc(O)c(/C=C2\C(=O)Nc3ccc(Br)cc32)c1 15016282 ORYQNCONASJADR-QPEQYQDCSA-N 346.180 3.656 0 50 EHAA Brc1cccc(CN2CCN(C[C@H]3CC=CCC3)CC2)c1 19361702 IXBNXMFMQRXNFB-INIZCTEOSA-N 349.316 3.923 0 50 EHAA CC[C@@H](CO)N(Cc1ccc(-n2cccn2)cc1)Cc1ccsc1 55183299 QTTSYZYVECSWSE-SFHVURJKSA-N 341.480 3.707 0 50 EHAA CC[C@@H](Oc1ccccc1)c1nn2c(CN(CC)CC)nnc2s1 65364411 WHYUZULGNZSKAX-CQSZACIVSA-N 345.472 3.558 0 50 EHAA Cc1n[nH]c([C@H](C)Oc2cc3oc(=O)c(C)c(C)c3cc2Cl)n1 65530400 NFXHQXXBSBCKCU-VIFPVBQESA-N 333.775 3.630 0 50 EHAA CC(C)c1ncc(C(=O)NCc2cccnc2Oc2ccccc2)cn1 67604387 LEAUECFPGGVMJQ-UHFFFAOYSA-N 348.406 3.717 0 50 EHAA Cc1ccsc1-c1cn(Cc2nc3cc(Cl)ccc3[nH]2)nn1 67727134 YZVOFGRVFDXACT-UHFFFAOYSA-N 329.816 3.893 0 50 EHAA Cc1cccc(OC2(C(=O)O)CCN(C/C=C/c3ccco3)CC2)c1 72422196 DRZRTGMWUXGGOV-XVNBXDOJSA-N 341.407 3.599 0 50 EHAA COCc1ncc(CN2CCC(Sc3cccc(C)c3)CC2)cn1 72427131 AUHFDKQYTMSDOQ-UHFFFAOYSA-N 343.496 3.688 0 50 EHAA CC(C)Cc1ccc(C(=O)N2CCC[C@H](c3nccn3C)C2)cc1 82100130 LQDJRYGGXGSKCR-SFHVURJKSA-N 325.456 3.638 0 50 EHAA CN(Cc1cc(-c2cccnc2)no1)C(=O)C[C@H]1CCc2ccccc21 91646099 ILCPSCROKWZCFO-MRXNPFEDSA-N 347.418 3.815 0 50 EHAA CC[C@H](C)c1ccccc1NC(=O)NCc1ccc(C(=O)N(C)C)o1 97546639 NQWOLIODOMUGBZ-ZDUSSCGKSA-N 343.427 3.817 0 50 EHAA O=C1CS[C@@H](c2ccccc2)N1CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 104194724 CRUUIYIDIZATLS-VNIYPPLASA-N 343.492 3.592 0 50 EHAA CC(C)(C)OC(=O)N1CCC(c2nnc(-c3ccccc3)o2)CC1 113839306 KRFMLZFLQRQWIN-UHFFFAOYSA-N 329.400 3.851 0 50 EHAA CCc1noc(C)c1CSc1nc(=O)c(C)c(-c2ccccc2)[nH]1 118959864 VLLDNBKXWBBZGD-UHFFFAOYSA-N 341.436 3.896 0 50 EHAA CC[C@@]1(C)Oc2ccc(NC(=O)[C@@H](C)c3c(C)n[nH]c3C)cc2O1 135271118 IWBSGQIXZKBLOQ-YPMLDQLKSA-N 329.400 3.666 0 50 EHAA O=C(Cn1ccnc1)Nc1ccccc1NCc1ccc(Cl)cc1 158230663 MEMHGQKCYKIXMT-UHFFFAOYSA-N 340.814 3.787 0 50 EHAA O=C(c1ccccc1)c1nccn1Cc1coc(-c2ccccc2)n1 170619685 CQJNPENPDDEYSE-UHFFFAOYSA-N 329.359 3.817 0 50 EHAA C[C@@H](NCc1cn(C(C)(C)C)nn1)c1ccc(OCC2CC2)c(F)c1 191320106 AAGRPCRJFQZBME-CYBMUJFWSA-N 346.450 3.812 0 50 EHAA COc1cccc2c1CCN(C(=O)c1ccc3ccccc3c1O)CC2 193779057 YBIUXDJLIIMJIO-UHFFFAOYSA-N 347.414 3.795 0 50 EHAA Cc1ncn(CCNC(=O)c2cc(C(F)(F)F)ccc2Cl)c1C 215946865 MEVHVDLSWDCBKS-UHFFFAOYSA-N 345.752 3.602 0 50 EHAA COc1ccc(CN(Cc2ccncc2)C[C@H]2CCCO2)cc1Cl 216260383 BAOZSYFXIPAQQY-QGZVFWFLSA-N 346.858 3.925 0 50 EHAA Cc1nc([C@@H]2CCCN(Cc3ccc4cccc(Cl)c4n3)C2)no1 216304198 PVABQHPRNRMGNE-CQSZACIVSA-N 342.830 3.959 0 50 EHAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CCC1=O 240555605 GWPLDLZVBZFSJB-BIGNPOOSSA-N 326.223 3.534 0 50 EHAA C[C@H](NC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1csc(C2CC2)n1 252672155 PJQOOFASIBMQQO-BTQDYEIMSA-N 349.500 3.584 0 50 EHAA CCn1cc(CCSc2nnc(-c3ccccc3Cl)o2)cn1 253416963 XSVLGYMREMSECG-UHFFFAOYSA-N 334.832 3.941 0 50 EHAA COC(=O)C[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 253428008 OOUFEHCUQSZZLY-ZDUSSCGKSA-N 345.361 3.750 0 50 EHAA CCc1sc(C(=O)N2C[C@H](C(=O)O)[C@H](c3ccccc3)C2)cc1C 263030652 YVHOZGYXUWPFDM-GJZGRUSLSA-N 343.448 3.559 0 50 EHAA CCOC(=O)c1ccc(F)c(Br)c1Br 263623163 FHGMAIWHJTUYME-UHFFFAOYSA-N 325.959 3.527 0 50 EHAA Cc1cc(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)sc1C 280072796 NEATWPQJHHINSY-UHFFFAOYSA-N 332.425 3.503 0 50 EHAA COc1ccc(CN(Cc2nccn2C(C)C)C[C@@H]2CCCO2)cc1 299798910 ULSNNJAWMVZWGK-IBGZPJMESA-N 343.471 3.654 0 50 EHAA CC[C@H](NC(=O)c1cccc2c1OCC2(C)C)c1c(C)noc1C 331595706 VBLVTKKNLXCWJC-HNNXBMFYSA-N 328.412 3.843 0 50 EHAA Cc1oc(-c2ccccc2)c(C(=O)N2CCC(O)(C(F)F)CC2)c1C 332004150 VXKXGMRJGSJZBY-UHFFFAOYSA-N 349.377 3.796 0 50 EHAA Cc1cc(OC[C@H](O)Cn2cnc3ccccc32)cc(C)c1Cl 334162491 OMVCDPLTTMXXDS-CQSZACIVSA-N 330.815 3.746 0 50 EHAA O=C(NCc1ccc2ccccc2n1)c1cc(O)nc2cc(F)ccc12 351656677 VDUREXAVIMGJFM-UHFFFAOYSA-N 347.349 3.558 0 50 EHAA COc1cccc(OC)c1CN[C@@H]1CCCc2cnn(C(C)C)c21 375764521 QSSGKBDYPLRVKD-MRXNPFEDSA-N 329.444 3.648 0 50 EHAA CCN(C(=O)C1CCOCC1)[C@H](C)Cc1ccccc1C(F)(F)F 408515377 XXHXWNIMILJXJM-CYBMUJFWSA-N 343.389 3.912 0 50 EHAA CC[C@@H](C)Oc1cccc(CNC(=O)N(C)Cc2ccncc2C)c1 534585478 QYSLSIIIXMNNPH-MRXNPFEDSA-N 341.455 3.909 0 50 EHAA c1coc([C@H]2N(c3ncnc4ccsc34)CC23CCOCC3)c1 664308332 SAFPJKMHBLKYRZ-OAHLLOKOSA-N 327.409 3.642 0 50 EHAA O=C(NCc1cccc(OC2CC2)c1F)N[C@@H]1CCCC(F)(F)C1 664481419 JEMFDNXXJPASON-GFCCVEGCSA-N 342.361 3.744 0 50 EHAA COc1ccc(NC2(C(=O)NCc3ccco3)CCCCC2)cc1 952965473 QUJSEMCOCCDEOG-UHFFFAOYSA-N 328.412 3.719 0 50 EHAA Cc1sc2nc(C[C@@H]3CCC4(CCOCC4)CO3)nc(O)c2c1C 952993757 LUXBTZWMIGFDKR-ZDUSSCGKSA-N 348.468 3.532 0 50 EHAA C[C@H](CNc1nc2cc(Br)ccc2o1)Cn1ccnc1 1335404185 FTTTYHSSQAFKKT-SNVBAGLBSA-N 335.205 3.535 0 50 EHAA COc1cccc(OC)c1C(=O)N(C)Cc1cccc(SC)c1 1506428432 ZNUIGZWOLKRCRN-UHFFFAOYSA-N 331.437 3.698 0 50 EHAA CC(=O)c1cc(CN2C[C@@H]3CC[C@H](C2)CN3CC=C(C)C)cs1 1565510258 LHVACHJFYIIAOE-AEFFLSMTSA-N 332.513 3.813 0 50 EHAA CC[C@@H](Nc1ncccc1C(=O)N1CCCC1)c1ccc(OC)cc1 1704353258 CXVXPKRMEZBLTO-GOSISDBHSA-N 339.439 3.889 0 50 EHAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NC1CCC1 1857719469 MDCITHKFMDQGLW-GFCCVEGCSA-N 347.846 3.756 0 50 EHAA COc1cncc(N(C)C(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1 2325767771 YREMUEYDBSBTDG-LGBHXNNWSA-N 334.847 3.631 0 50 EHAA C[C@H]1CCC[C@](NC(=O)c2cccc(F)c2C(F)(F)F)(C(=O)O)C1 2325812752 DXZAUMMDUNDISK-BJOHPYRUSA-N 347.308 3.608 0 50 EHAA Cc1ccc(N2CCC[C@]3(CCCN3Cc3cccnc3C)C2=O)cc1 2356134400 LLUGPWOBRZHYPH-JOCHJYFZSA-N 349.478 3.860 0 50 EHAA O=C1NCCC[C@@]12CCCN2Cc1cccc(Oc2ccccc2)c1 2356136124 HPBQZIOOOPRBPN-OAQYLSRUSA-N 336.435 3.724 0 50 EHAA O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccccc1 190732 HUBZEPXXAJTDMV-UVTDQMKNSA-N 328.165 3.794 0 50 EHAA CCN(CC)c1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 331067 YBRSMSKHCWAFHV-UHFFFAOYSA-N 342.468 3.937 0 50 EHAA COc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1 1051566 LSWFJLRFWGXDIY-UHFFFAOYSA-N 338.407 3.574 0 50 EHAA COc1ccccc1-n1c(SC(C)C)nc2ccccc2c1=O 2551061 SQFXPMOHTUXGHF-UHFFFAOYSA-N 326.421 3.895 0 50 EHAA Cc1ccccc1NC(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C 2796475 RWVPKOIGTYLKES-NSHDSACASA-N 325.334 3.794 0 50 EHAA CCCCOc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 2942841 FRYBNLNCXBYZMB-UHFFFAOYSA-N 331.387 3.813 0 50 EHAA CCOc1cccc([C@@H]2CC(=O)Nc3cc(OC)cc(OC)c32)c1 4488991 KGSHEUAYCZNEHI-HNNXBMFYSA-N 327.380 3.577 0 50 EHAA CCN(CC)C(=O)[C@H](C)Sc1cc(C)c2cccc(OC)c2n1 11907474 UKDDJXLMFPVLMS-ZDUSSCGKSA-N 332.469 3.901 0 50 EHAA C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)[C@@H]1CCCO1 13321897 DIBLIKLNDVEPNF-VLIAUNLRSA-N 347.418 3.594 0 50 EHAA COc1ccc(NC(=O)N[C@@H](C)CCc2ccccc2)c(OC)c1 17067265 AEEAOCLELOTXAV-AWEZNQCLSA-N 328.412 3.847 0 50 EHAA Cc1ccnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1 18140696 NPUHSXHGNHDDIS-UHFFFAOYSA-N 342.449 3.639 0 50 EHAA S=C(Nc1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 19854008 MRLQSZGFQNBNAF-UHFFFAOYSA-N 345.899 3.855 0 50 EHAA Fc1ccc(-c2[nH]nc3c2CN(C2Cc4ccccc4C2)CC3)cc1 20255243 UEUHCXZDNKQRKA-UHFFFAOYSA-N 333.410 3.741 0 50 EHAA c1ccc(CN2CCC[C@H](Nc3nncc(-c4ccccc4)n3)C2)cc1 23380464 KUXJCPUIHOGROY-IBGZPJMESA-N 345.450 3.615 0 50 EHAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1snnc1C(C)C 55073451 HQXWHFMPYMEYLZ-UHFFFAOYSA-N 343.408 3.637 0 50 EHAA Cn1cc(CN(C(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)C2CC2)cn1 55132245 HIODFTHHACUWLM-LVBDODCMSA-N 341.499 3.908 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc(OC(F)F)cc2)c1 55343230 HPDMVHHEMLHIIA-CYBMUJFWSA-N 334.366 3.695 0 50 EHAA Cc1ccc(C(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)c(O)c1 55384604 JQXYJOZZRLQKRK-HNNXBMFYSA-N 331.437 3.584 0 50 EHAA CC[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cc(O)no1 55393476 USANBFHWJGJUHC-GFCCVEGCSA-N 336.819 3.794 0 50 EHAA CC(C)[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)CCCN1CC1CC1 71748102 DOLMULJDBJDOPY-FQEVSTJZSA-N 339.483 3.750 0 50 EHAA CCCc1cc(CN(C)C(=O)c2cc(C)nc3ccc(C)cc23)n[nH]1 72409409 VBWDMDIVYIRVEE-UHFFFAOYSA-N 336.439 3.799 0 50 EHAA CC[C@@H]1c2cccn2CCN1C(=O)c1c[nH]nc1-c1cccs1 72438047 BGPHUFIYMXGLFG-CYBMUJFWSA-N 326.425 3.547 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N(C)CCN3CCCCC3)c2c1 77299318 YOHDSUDAYXWXRE-UHFFFAOYSA-N 339.483 3.664 0 50 EHAA Cc1cc(Cl)c2oc(C(=O)N(C)CCc3noc(C)n3)c(C)c2c1 77375370 IAGSQVONVHZLHS-UHFFFAOYSA-N 347.802 3.709 0 50 EHAA CN(Cc1cccc2ncccc12)C(=O)[C@@H]1CCc2ccccc2O1 77406123 OYTUNTQBJYJMLN-FQEVSTJZSA-N 332.403 3.587 0 50 EHAA O=C(Cc1ccsc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 77424043 UWXPKOYBYLWBKX-HNNXBMFYSA-N 339.420 3.704 0 50 EHAA COCCC[C@H]1CCCCN1Cc1cnc(-c2cccs2)nc1 77485419 GYYDNINQRLIZSV-MRXNPFEDSA-N 331.485 3.986 0 50 EHAA COc1cccc2ccc(N3CCC[C@@H](CN4CCCCC4)C3)nc12 96138951 RXOMFHVHUWIRHZ-KRWDZBQOSA-N 339.483 3.946 0 50 EHAA CSC[C@@H]1CCCN(C(=O)c2nc(-c3ccccc3)[nH]c2C)C1 97632068 KVNIQAKRAKLPJX-CQSZACIVSA-N 329.469 3.600 0 50 EHAA Cc1noc(C)c1[C@H](C)C(=O)N[C@H](c1ccccc1)c1ccncc1 131043508 DFOHYNRRQBGGMU-ORAYPTAESA-N 335.407 3.696 0 50 EHAA CCOc1ccc(C(=O)N2CCC(NCc3ccsc3)CC2)cc1 135952138 DVRNTHOCGCHCEM-UHFFFAOYSA-N 344.480 3.541 0 50 EHAA Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@H]1c1ccncc1 171104253 CMDHUICAJGTVNC-FQEVSTJZSA-N 348.450 3.961 0 50 EHAA C[C@@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)c1cccc(O)c1 174718760 KGBOIYVPHRZBRB-GFCCVEGCSA-N 349.369 3.809 0 50 EHAA CCCc1nc(CNC(C)(C)c2ccccc2Br)no1 181515852 VBKXICLTBODAHK-UHFFFAOYSA-N 338.249 3.810 0 50 EHAA COc1ccc(Cn2c(=O)c(Cl)nc3ccc(Cl)cc32)cc1 214108858 MCBTYJWCTBKBOT-UHFFFAOYSA-N 335.190 3.760 0 50 EHAA CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)s1 220415460 PGXBGMRDDSXWOR-MRXNPFEDSA-N 342.464 3.973 0 50 EHAA CCOc1cc(F)c(Cn2nc(C(=O)OC)c3ccccc32)c(F)c1 222378766 IILDYMHKGBKXDY-UHFFFAOYSA-N 346.333 3.548 0 50 EHAA COc1ccc([C@@H]2CCCN2CC(=O)N2[C@H](C)CCC[C@H]2C)cc1 239654001 BMCHPPYMWVMZIL-MDZRGWNJSA-N 330.472 3.622 0 50 EHAA COc1cccc(OCCN2CCC(c3cccc(O)c3)CC2)c1 244718906 LTAMMPLULZBZPK-UHFFFAOYSA-N 327.424 3.659 0 50 EHAA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)[C@H]1C[C@@H]1c1cccnc1 247979366 WKXFUHJKZQCZHZ-LEEVSCAKSA-N 336.435 3.562 0 50 EHAA CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)CN1CCc2ccccc2C1 252428051 OTTUUPAQKHWADJ-XYEHWOGUSA-N 345.527 3.883 0 50 EHAA C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cnc(C(F)(F)F)nc1 328587725 GEPMGZOCFXQNIM-TZMCWYRMSA-N 349.356 3.589 0 50 EHAA Cc1nc(O)c(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)nc1C 328588041 MUIIOBKUQLLEFS-KRWDZBQOSA-N 345.402 3.591 0 50 EHAA COc1cc(OC)cc(C2=NN(C(C)=O)[C@H](c3ccc(C)cc3)C2)c1 328597710 IUOOXIWHJJOJAQ-FQEVSTJZSA-N 338.407 3.710 0 50 EHAA C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)c1ccc2c(c1)COC2 358234492 GEAMOTRMUQLBDF-OAHLLOKOSA-N 333.435 3.968 0 50 EHAA CCN(C(=O)c1nc(C2CC2)n2ccccc12)[C@H]1CCOC(C)(C)C1 362326051 UXOVLIBSUFMXNO-HNNXBMFYSA-N 341.455 3.631 0 50 EHAA COc1ccc2c(-c3ccccc3)cc(SCc3nn[nH]n3)nc2c1 497159291 FUEGTVRTAFPDDW-UHFFFAOYSA-N 349.419 3.716 0 50 EHAA O=C(O)Cc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)c1 653642273 RNSSNJVKNFZKCS-QGZVFWFLSA-N 343.810 3.944 0 50 EHAA CCn1c(Cc2ccccc2)nnc1SCc1cc(Cl)n(C)n1 863219281 XRMWWJJGBCDQLW-UHFFFAOYSA-N 347.875 3.568 0 50 EHAA Clc1ccc2c(c1)CN(C1CCN(Cc3ccco3)CC1)CCO2 952966159 GDGSRZXFDIBATM-UHFFFAOYSA-N 346.858 3.792 0 50 EHAA O=C(Nc1ccc(Nc2ccccc2)cn1)[C@H]1Cc2cc(F)ccc2O1 1461718745 QVWMXMWEPZOJJU-GOSISDBHSA-N 349.365 3.907 0 50 EHAA O=C(Nc1ccccc1N1CCCCC1)N1CC[C@@H](c2ccon2)C1 1775991597 HPJSDCWAOABNOM-OAHLLOKOSA-N 340.427 3.686 0 50 EHAA O=S(=O)(CC(F)(F)F)Nc1ccccc1/C=C/C(F)(F)F 1875291160 PWWILJNGWRQOQA-AATRIKPKSA-N 333.253 3.566 0 50 EHAA Cc1cc(SCc2cn(C[C@H](C)CC(F)F)nn2)ccc1O 2325777291 SWNCZJPOAHYPLJ-SNVBAGLBSA-N 327.400 3.876 0 50 EHAA CCOC(=O)c1c(NC(=O)c2ccncc2)sc2c1CC[C@H](C)C2 119527 ROCOEPFAXYRZBY-NSHDSACASA-N 344.436 3.697 0 50 EHAA O=C(Cc1ccccc1)Oc1ccc(C(=S)N2CCCCC2)cc1 298750 DYSJHHVVOMYSLX-UHFFFAOYSA-N 339.460 3.996 0 50 EHAA COc1ccc(-c2nnc(SCC(=O)c3ccccc3)o2)cc1 337019 OZHHJZMKOWPQKG-UHFFFAOYSA-N 326.377 3.720 0 50 EHAA CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4096634 JERGUCIJOXJXHF-TVWVXWENSA-N 332.484 3.630 0 50 EHAA aggregator,endogenous,in-man CN1CCN(C(=O)c2csc(-c3ccsc3)n2)c2ccccc21 110480559 AWFOKCITHFWHCZ-UHFFFAOYSA-N 341.461 3.968 0 50 EHAA CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 9259102 UOYWKADBWIMCEI-UHFFFAOYSA-N 340.379 3.622 0 50 EHAA Cc1ccc(NC(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cc1C(N)=O 115766710 YSVFOPVMOQNRGS-GDBMZVCRSA-N 337.423 3.504 0 50 EHAA Fc1ccc(C2=C[C@@H](c3cccc(Cl)c3)n3nnnc3N2)cc1 100773325 ZAHWGPXZBKHYLE-HNNXBMFYSA-N 327.750 3.522 0 50 EHAA Cc1ncsc1CCC(=O)N(C)Cc1cc(-c2ccccc2)on1 65397159 QQXOQVXSKDIBCD-UHFFFAOYSA-N 341.436 3.698 0 50 EHAA COc1ccc2c(C)c(C(=O)NCc3cc(CC(C)C)on3)oc2c1 65396715 RWVCMJGFUAGUIG-UHFFFAOYSA-N 342.395 3.866 0 50 EHAA O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@H]1C[C@H]2CC[C@H]1O2 110676848 NYFKOUFFNMKSBZ-HCXYKTFWSA-N 325.383 3.599 0 50 EHAA CCn1cc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)cn1 2806770 NRAOITDBBAMMPP-UHFFFAOYSA-N 348.450 3.990 0 50 EHAA CSc1cccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1C 253418020 UZUYPOCFNXNSRI-KDOFPFPSSA-N 334.485 3.876 0 50 EHAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCC([C@H]3CCCO3)CC2)o1 253425650 DKDGTHZZRRPSGH-RDTXWAMCSA-N 334.460 3.510 0 50 EHAA CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)C1 253606379 JZOOUGCSRVHNGU-SQNIBIBYSA-N 341.430 3.552 0 50 EHAA COc1ccccc1CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 36359938 SIWFBTIFPZXGBV-UHFFFAOYSA-N 349.312 3.772 0 50 EHAA Nc1nc(Cn2ccnc2-c2ccc(F)c(Cl)c2F)cs1 71757024 YDDZIKNFUCFKRB-UHFFFAOYSA-N 326.759 3.569 0 50 EHAA O=C(Nc1ccc([C@@H]2CCOC2)cc1)N1CCC[C@H]1C1CCOCC1 333641628 IWEHOXRVHAZQOP-MJGOQNOKSA-N 344.455 3.613 0 50 EHAA CCc1cc(=N)[nH]c(SCc2cc(F)cc(Br)c2)n1 447785736 KAKWQIZDGKTHRZ-UHFFFAOYSA-N 342.237 3.645 0 50 EHAA Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 281371218 RASXKQJCTUVYKV-HUUCEWRRSA-N 344.846 3.954 0 50 EHAA COC(=O)c1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 13746207 RQHBCDMIBZIIDP-UHFFFAOYSA-N 342.439 3.811 0 50 EHAA COc1ccc(-c2ccc(C)c(NC(=O)NC3CC(F)(F)C3)c2)cn1 284094333 STICKIQLEMQUNK-UHFFFAOYSA-N 347.365 3.985 0 50 EHAA NCc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1 426493186 MVDYTBUVEXNIHN-VQTJNVASSA-N 337.467 3.671 0 50 EHAA CCCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1C(=O)N(C)C 239882145 DAODHQUTYLPHMI-QGZVFWFLSA-N 345.487 3.847 0 50 EHAA CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1cnc2ccccn12 97759418 SWMLGDPIHDCMKC-QGZVFWFLSA-N 325.412 3.801 0 50 EHAA O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1ccc2[nH]c(CO)nc2c1 97743381 TYBUQXDNRRCJBK-DLBZAZTESA-N 349.434 3.511 0 50 EHAA O=C(N[C@@H]1CCc2ccccc2C1)c1c[nH]nc1-c1cccc(F)c1 91486138 NYYCIDMXROWXKH-QGZVFWFLSA-N 335.382 3.503 0 50 EHAA CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)N2CCOC[C@H]2CO)c1 97696302 PDFSTTKHFZGGOE-OAHLLOKOSA-N 348.487 3.507 0 50 EHAA CC(C)c1nnc(CN(CCO)[C@H]2CCCc3ccccc32)s1 294942859 LRXGEVXAYJMKRU-INIZCTEOSA-N 331.485 3.533 0 50 EHAA c1ccc([C@]23[C@H]4[C@H]5[C@@H]6[C@@H]7[C@@H]8[C@H]9[C@H]%10[C@H]%11[C@H]([C@H]2[C@@H]([C@@H]74)[C@H]8%11)[C@H]2[C@H]%10[C@H]([C@@H]69)[C@H]5[C@H]23)cc1 257355613 BSQJORIBNGKJAD-IINRVELTSA-N 336.478 3.782 0 50 EHAA CC(=O)[C@]12O[C@@H]1C[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253498116 MSGQPOBWYUXEOQ-IDBMHRIKSA-N 332.484 3.727 0 50 EHAA CCCn1ncnc1-c1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1 534637129 RNMUYLRBLXCHNA-AWEZNQCLSA-N 338.411 3.781 0 50 EHAA COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1nncn1C1CCCC1 299801271 YHXISCOUTQOUCP-NSHDSACASA-N 348.834 3.546 0 50 EHAA CN(CCN(C)C1CCCC1)C(=O)[C@@]1(c2cccs2)CC1(C)C 952966292 GYEPCMROFFRYEC-IBGZPJMESA-N 334.529 3.749 0 50 EHAA O=C(Nc1cc(F)c(F)c(F)c1)c1cc2ccccc2c(=O)s1 888090710 PCYJKFWCYXIGOS-UHFFFAOYSA-N 335.306 3.931 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1coc(-c2cccs2)n1 274861101 SWROEWVPBGXINX-BNOWGMLFSA-N 332.425 3.621 0 50 EHAA COc1cccc([C@H](C)N[C@H](C)C(=O)N[C@@H]2CCc3ccccc32)c1 170073645 ITGYEGBVCFBUDO-BXTJHSDWSA-N 338.451 3.538 0 50 EHAA O=C(Nc1nc2c(s1)CCCC2)N(Cc1ccccn1)C1CC1 192609418 BMYKNDLEKIHDLY-UHFFFAOYSA-N 328.441 3.613 0 50 EHAA CC[C@H](C)NC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F 649474179 TZCUWITTXHWIKI-JTQLQIEISA-N 338.333 3.767 0 50 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EHAA O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1Cc1ccco1 443326 AJHGAJRYOSUADT-IBGZPJMESA-N 348.358 3.775 0 50 EHAA Cc1nc(N2CCOCC2)ccc1NCc1ccc([C@H]2C[C@@H]2C)o1 119985355 LREMBTKKDJVNSB-BBRMVZONSA-N 327.428 3.555 0 50 EHAA COc1ccccc1OCC(=O)N1CCC[C@@H](c2cccc(C)c2)C1 219331463 UBZYVPPXMOSWJC-GOSISDBHSA-N 339.435 3.789 0 50 EHAA Cc1nc[nH]c1CN1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 77286220 HRXUQPWXZUOYKB-HNNXBMFYSA-N 339.418 3.627 0 50 EHAA Cc1cccc2c1N(C1CC1)CCN2Cc1cnc2n[nH]c(C)c2c1 361153506 JRWGVYICFMOGFP-UHFFFAOYSA-N 333.439 3.564 0 50 EHAA O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)c2ccccc12 253429136 GPNIPPMDOANXIN-DJJJIMSYSA-N 345.439 3.763 0 50 EHAA CC[C@H]1CN(C(=O)c2csc([C@@H]3CCCO3)n2)c2ccccc2O1 153749080 CJZKVUWZYPJAIZ-LRDDRELGSA-N 344.436 3.812 0 50 EHAA O=c1c2cccc(F)c2ncn1CC[C@H]1CCCCN1C1CCCC1 32513836 RHMLHBVNXMESAC-MRXNPFEDSA-N 343.446 3.723 0 50 EHAA CC(C)(C)n1cnc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)n1 333952790 CTJWZRATFDHICZ-INIZCTEOSA-N 338.455 3.791 0 50 EHAA O=C(NCc1cccc2ccccc12)c1ccccc1[C@H]1CCNC1 72149248 CMMFMEPRMQXHME-SFHVURJKSA-N 330.431 3.847 0 50 EHAA CN(C)Cc1ccc([C@H]2CCCN2Cc2ccccc2C(=O)O)cc1 215297951 PNCUYZOARGHBBF-HXUWFJFHSA-N 338.451 3.784 0 50 EHAA CCC1(CC)[C@@H](NC(=O)c2cc(C)oc2C(F)(F)F)C[C@H]1OC 331823029 WRSGFUQWJJUBTM-NWDGAFQWSA-N 333.350 3.930 0 50 EHAA CC(C)N(C(=O)c1ocnc1C1CC1)[C@H]1CCCc2cccnc21 377493753 SLGUYGGMLIGXSZ-HNNXBMFYSA-N 325.412 3.875 0 50 EHAA CCc1cc(C(=O)N2CCC[C@@H](C(=O)Cc3ccccc3)C2)cs1 77288002 ABYSWWCATJUFIK-MRXNPFEDSA-N 341.476 3.975 0 50 EHAA Cc1nc2c(s1)[C@H](N(C)CN1C(=O)[C@@H]3CCCCCC[C@H]31)CCC2 240551387 GTIQTGGJLKAAGW-DJIMGWMZSA-N 347.528 3.899 0 50 EHAA O=C(NCc1cc(-c2cccnc2)no1)c1ccc2c(c1)CCCC2 220089236 CZBFVWUIVMMINW-UHFFFAOYSA-N 333.391 3.545 0 50 EHAA CC[C@@H]1[C@@H](NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)[C@@H]2CCO[C@@H]21 222970992 PFEGIAGKMQOSPD-CTNSEHHHSA-N 338.451 3.590 0 50 EHAA Cc1[nH]c([C@@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccc(F)cc1F 20537554 FBBLJVZXNVGMMW-GFCCVEGCSA-N 345.393 3.922 0 50 EHAA O=C(c1[nH]cnc1-c1ccccc1)N1CCC(Cc2cccnc2)CC1 426551993 OLIWNHVMFYEMKN-UHFFFAOYSA-N 346.434 3.567 0 50 EHAA O=C(O)CC[C@H]1CCCN(C(=O)C[C@H]2CCCc3ccccc32)C1 238008898 CBKLKLLLLIEKNL-NVXWUHKLSA-N 329.440 3.600 0 50 EHAA Cc1ccc(OCc2occc2-c2nc([C@@H]3CCOC3)no2)cc1 96162263 NFPWXVKOVBIXCA-CYBMUJFWSA-N 326.352 3.721 0 50 EHAA Cc1ncc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)s1 92045726 DLWGJBLUAINURE-HNNXBMFYSA-N 330.453 3.785 0 50 EHAA CCC(CC)n1nc(C)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 97743394 MPQRSVJJLXGVIE-KXBFYZLASA-N 348.491 3.712 0 50 EHAA CC(C)Cn1ccc2c(OCC(=O)NCCc3ccco3)cccc21 252501916 ULLDLSMGZQUSAT-UHFFFAOYSA-N 340.423 3.628 0 50 EHAA CCOc1ccc(CCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 299102534 TXIWRGAKRYGXJR-AWEZNQCLSA-N 329.362 3.819 0 50 EHAA CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1NC(=O)c2ccccc21 299762002 UBSUQIKTWWJJEK-HAZIXKIPSA-N 326.440 3.670 0 50 EHAA C[C@H]1CCCN(c2ccc(Cl)cc2NC(=O)CCCC(=O)O)C1 952967423 ZTUNFGTURQOMPG-LBPRGKRZSA-N 338.835 3.770 0 50 EHAA CCOC(=O)/C(=C/c1ccc(SC)c(OC)c1)c1ccccn1 170605421 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O=C(c1cccnc1)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 14980834 OSMDKQSSPVCODV-HNNXBMFYSA-N 330.378 3.845 0 50 EHAA O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccccc1)N1CCCCC1 19849889 KIBFEGUFVBIKGE-UNMCSNQZSA-N 348.446 3.939 0 50 EHAA CCCC[C@H](CC)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 2993359 HNDRBJFAPGONBF-LBPRGKRZSA-N 344.377 3.977 0 50 EHAA C[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C[C@@H]1CC(=O)O 1857533370 HFFWJAMPSSDHSC-YFYLHZKVSA-N 337.419 3.513 0 50 EHAA CCCN1C[C@H](n2ccnc2-c2ccc(-c3ccccn3)cc2)CC1=O 1857678598 OXDCNTWXCWIWEY-GOSISDBHSA-N 346.434 3.796 0 50 EHAA O=C(C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCCC1 1857710537 CCHQFYXBURSERM-CYBMUJFWSA-N 347.846 3.710 0 50 EHAA Cc1nnc(-c2ccccc2-c2ccc([C@@H]3CNC(=O)C3)cc2)s1 1875244494 MJYFMRDCFVQALE-HNNXBMFYSA-N 335.432 3.784 0 50 EHAA Cc1ccc(CNc2ccccc2C(=O)N2CCOCC2)c(Cl)c1 656114742 YQAUFBUUXPMTPT-UHFFFAOYSA-N 344.842 3.733 0 50 EHAA Cc1nnsc1CS(=O)(=O)c1ccc(C2CCCCC2)cc1 864091492 XYMOKCMSPULDOH-UHFFFAOYSA-N 336.482 3.868 0 50 EHAA CCCn1ccc(COC(=O)c2cc3c(Cl)cc(F)cc3[nH]2)n1 1875316443 RLVMSDIOCYJLQK-UHFFFAOYSA-N 335.766 3.924 0 50 EHAA Cc1ccoc1-c1nnc(COC(=O)[C@@H]2Cc3c(Cl)cccc32)o1 1875355631 BTBRUQLHTKIIAM-GFCCVEGCSA-N 344.754 3.675 0 50 EHAA CCc1onc(C)c1CS(=O)(=O)C1CCC(C(F)(F)F)CC1 899502040 WJAVIVNUVNHBKW-UHFFFAOYSA-N 339.379 3.581 0 50 EHAA Fc1ccc2nc(C(F)F)nc(N[C@@H]3CCNC4(CCC4)C3)c2c1 900022272 QTZSUEWNBJBKGU-LLVKDONJSA-N 336.361 3.793 0 50 EHAA O=c1[nH]c2ccccc2nc1/C=C/c1ccc(Br)cc1 4248169 GULQRJNAGKHXAK-JXMROGBWSA-N 327.181 3.856 0 50 EHAA COc1ccc2c(c1)CCN(C(=O)c1ncsc1C1CC1)[C@@H]2C 2325767741 OQDPSEZYTKLFFT-LLVKDONJSA-N 328.437 3.789 0 50 EHAA FC1(Cc2ccccn2)CCN(c2nc3ncccc3s2)CC1 2325805211 YRSJPBLICJGHIE-UHFFFAOYSA-N 328.416 3.638 0 50 EHAA O=C(Nc1cnn2cccnc12)N(C1CC1)[C@@H]1CCCc2ccccc21 2325810712 ZMGDQPFPRLHPDT-GOSISDBHSA-N 347.422 3.803 0 50 EHAA O=C(NC[C@H](O)c1cccc2ccccc12)Nc1cc(Cl)ccn1 1466513365 SXBQFNZQZPUHLF-INIZCTEOSA-N 341.798 3.743 0 50 EHAA COc1cc(NC(=O)c2ccccc2OC(C)=O)c(OC)cc1Cl 60692 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Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(Cl)c1 19312308 FHTUGFAZGJPHPA-UHFFFAOYSA-N 344.842 3.733 0 50 EHAA CCCCN[C@@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl 24302898 MUPLFFQULYFMNT-ZDUSSCGKSA-N 337.678 3.811 0 50 EHAA CCCc1cc([C@@H]2CCCN2C(=O)NCCc2ccccc2)no1 64984942 YMPKBGDOTVLSAQ-SFHVURJKSA-N 327.428 3.716 0 50 EHAA Cc1cc(NCc2cc(-c3cccnc3)no2)nc(-c2cccnc2)n1 65458037 YSMIJEDCUZPYOS-UHFFFAOYSA-N 344.378 3.509 0 50 EHAA CCCc1nc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)no1 67880104 ISPFQEDWSQBUOI-ZWKOTPCHSA-N 337.423 3.530 0 50 EHAA O=C(Cc1ccccc1O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71746657 KZWULASKNKJNDR-KRWDZBQOSA-N 341.426 3.945 0 50 EHAA COc1ccc(N[C@@H]2CCCN(c3cnc4ccccc4n3)C2)cc1 72158497 PJYPSUFULGLOOO-MRXNPFEDSA-N 334.423 3.719 0 50 EHAA OCCc1ccccc1-n1ccnc1-c1cnc(-c2cccs2)nc1 72166007 VBIRMKRLFGWTIV-UHFFFAOYSA-N 348.431 3.593 0 50 EHAA COc1ccccc1OC1CCN(C(=O)c2csc(C)c2)CC1 77555895 CMYBKIHBYWLKKY-UHFFFAOYSA-N 331.437 3.749 0 50 EHAA COc1cc([C@H](C)Nc2cc(C3CC3)ncn2)cc(OC)c1OC 91526237 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3.723 0 50 EHAA Cc1ccc(-c2ccc(C(=O)N(C)C3CCNCC3)c(F)c2)cc1 237109603 UXUKVPVJMYFAJI-UHFFFAOYSA-N 326.415 3.625 0 50 EHAA CN(Cc1cc(C2CC2)[nH]n1)C[C@@H]1CCCN(Cc2ccccc2)C1 244811462 SDEJPNYIXBOPHT-SFHVURJKSA-N 338.499 3.631 0 50 EHAA CSc1ccc(NC(=O)N2CCCC[C@@H]2CN2CCCC2)cc1 299763944 HPWNJZBKZVFPEY-MRXNPFEDSA-N 333.501 3.891 0 50 EHAA C[C@H](CC(=O)N1CCCCCC1)NC[C@H]1CCO[C@@H]1c1ccccc1 328617841 DCSVLYCRTDPWRA-YFVAEKQCSA-N 344.499 3.535 0 50 EHAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc([C@H]3C[C@@H]3C)o2)cn1 328651543 VZITYGQFPCQPDD-XJTZBENFSA-N 342.443 3.569 0 50 EHAA COc1cccc([C@H]2C[C@H](C)CN2c2ncnc3c2ncn3C2CC2)c1 330307708 SIWRQFVWEILTKV-SUMWQHHRSA-N 349.438 3.757 0 50 EHAA Cc1ccncc1CCCN1CCO[C@@H](c2ccc(F)cc2F)C1 368039028 DWYJEFYNLUOPPB-LJQANCHMSA-N 332.394 3.674 0 50 EHAA Cc1csc(Oc2ccc(NC(=O)C[C@@H]3CCCO3)cc2F)n1 408515207 FWDFXGKENUBCAK-LBPRGKRZSA-N 336.388 3.891 0 50 EHAA CC(C)(C)n1nccc1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 463579272 SUCDMADJBDJNPL-CYBMUJFWSA-N 346.862 3.757 0 50 EHAA Cn1ncc(C(F)(F)F)c1CN1CC(Cc2ccccc2Cl)C1 668173334 DWVWRZAJMUNPGL-UHFFFAOYSA-N 343.780 3.767 0 50 EHAA CC(C)CNC(=O)N1CCC[C@H](c2nc(CC3(C)CCCC3)no2)C1 809534852 SMEAZIBSFSCABV-HNNXBMFYSA-N 348.491 3.737 0 50 EHAA Cc1[nH]c2c(c1C(=O)Nc1ccc3scnc3c1)C(=O)CCC2 828133614 AXMMGFDDGAHMMD-UHFFFAOYSA-N 325.393 3.704 0 50 EHAA Cc1cncc(-c2noc([C@@H]3Cc4ccccc4O[C@H]3C(F)F)n2)c1 903979494 JNYDSVXVWPUOOW-UKRRQHHQSA-N 343.333 3.792 0 50 EHAA CC(C)[C@@H](NC(=O)Nc1ccc(C2CCC2)cn1)c1cnn(C)c1 931573245 CSNVXNJRWMGCAR-QGZVFWFLSA-N 327.432 3.601 0 50 EHAA CC(=O)c1[nH]c(C)c(C(=O)NCc2csc3c2CCCC3)c1C 952966661 FMQDCEXESDUTTE-UHFFFAOYSA-N 330.453 3.704 0 50 EHAA Cc1cc(C)c(CN(C)CC[C@@H]2CCCCO2)c(-n2cccn2)c1 952968175 AWJYSOQQNSTGID-SFHVURJKSA-N 327.472 3.880 0 50 EHAA CCc1ccc(CC)c(C(=O)CN2C(=O)c3ccccc3[C@@H](C)C2=O)c1 1166688808 MDDDNFCKEHPMLF-CQSZACIVSA-N 349.430 3.780 0 50 EHAA CN(CC[C@@H]1COCCO1)Cc1ccc(Oc2ccccc2)cc1 1775979627 XMOSMXCBXSFDQB-HXUWFJFHSA-N 327.424 3.716 0 50 EHAA O=C1CCC[C@@H](Cc2nc(-c3sc4ccccc4c3Cl)no2)N1 1775994319 KMDGSXYLDUEXGU-VIFPVBQESA-N 347.827 3.816 0 50 EHAA CCN(C(=O)c1ccc(CC(=O)O)cc1)[C@H](C)c1ccc(F)cc1 1875268903 CDBQPJDATSDWPL-CYBMUJFWSA-N 329.371 3.676 0 50 EHAA O=C1CSc2cc(C(=O)O[C@@H]3c4ccccc4C[C@H]3F)ccc2N1 1875341344 PRJABYYFTOPWKC-CXAGYDPISA-N 343.379 3.523 0 50 EHAA Cn1nc(C2CC2)cc1NC(=O)N1CCC[C@H]1c1cc(F)ccc1F 2325781542 DNLACVPHCYEGPO-INIZCTEOSA-N 346.381 3.945 0 50 EHAA Cc1nc2ccc(NC(=O)N3CCC34CCC(C)(C)CC4)cn2n1 2325781647 ULBOOEADURVTNC-UHFFFAOYSA-N 327.432 3.614 0 50 EHAA O=C(C1CC2(CCCN2)C1)N1CC=C(c2cccc3ccccc23)C1 2325795444 FWGPEVNGCOFNKP-UHFFFAOYSA-N 332.447 3.598 0 50 EHAA CC(C)(CNCc1cnn2ccccc12)c1cccc(C(F)(F)F)n1 2325817502 MARHXCARINEQCB-UHFFFAOYSA-N 348.372 3.816 0 50 EHAA CC1(C)C(=O)O[C@H](c2cccc(Br)c2)C(C)(C)C1=O 170421 MUUYYPIDNILNIB-LLVKDONJSA-N 325.202 3.669 0 50 EHAA COc1nnc(-c2ccc(N3CCCCC3)c(N)c2)c2ccccc12 538532 APCSNJAJOLTHDS-UHFFFAOYSA-N 334.423 3.878 0 50 EHAA O=C1CCCC[C@H]1C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 1395102 YYUFYBCDRIIAEY-SNVBAGLBSA-N 338.194 3.516 0 50 EHAA CCCC(=O)N[C@H](Oc1ccc(OC)cc1)C(Cl)(Cl)Cl 2052746 SQDYUUXAHVYPIW-GFCCVEGCSA-N 340.634 3.687 0 50 EHAA CCOC(=O)C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C 2270198 QKEGVMIPPNNWJI-PBHICJAKSA-N 338.407 3.528 0 50 EHAA COc1ccc(Cl)cc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3 2469555 YQKKXZAJLDGXPW-SNVBAGLBSA-N 331.755 3.551 0 50 EHAA CCCCc1c(C)sc2nc(Cc3ccccc3)n3nnnc3c12 2902279 NEPLPKPHHRAAFT-UHFFFAOYSA-N 337.452 3.976 0 50 EHAA COC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 3555981 GHDHPKJSGNYAPE-UHFFFAOYSA-N 348.196 3.796 0 50 EHAA CCOC(=O)[C@@H]1CCCN(CCCCOc2cccc(OCC)c2)C1 6727416 JNXCQSZQHFKSMO-QGZVFWFLSA-N 349.471 3.519 0 50 EHAA COC(=O)c1ccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)cc1 12304121 FWDCGNPYBHJQBH-HNNXBMFYSA-N 349.434 3.818 0 50 EHAA CSc1ccc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3)C2)cc1 12315163 DULFDFQZNZJTGT-HXUWFJFHSA-N 344.524 3.747 0 50 EHAA CCCc1cc(C(=O)OCC)c(NC(=O)c2c(C)noc2C)s1 13326842 XEJUMFWFIHBCGD-UHFFFAOYSA-N 336.413 3.734 0 50 EHAA Cc1ccc(Nc2ccc(NC(=O)COc3ccccc3)cc2)nn1 38670542 QNMMYZBTCHAJEQ-UHFFFAOYSA-N 334.379 3.546 0 50 EHAA CC(=O)Nc1ccc(Cl)c(C(=O)N(C)[C@H](C)c2nccs2)c1 55414101 DARDCWHKFHKISH-SECBINFHSA-N 337.832 3.588 0 50 EHAA CCN1CC2(CCN(Cc3cccc(-c4ccccn4)c3)CC2)CC1=O 72473048 YAOAEJJNSCPQIH-UHFFFAOYSA-N 349.478 3.583 0 50 EHAA COc1ccc(/C=C/CN2CCCC[C@@H]2CCc2nccn2C)cc1 77554920 CITLRPNRMJCOIU-ZMBJWTFHSA-N 339.483 3.929 0 50 EHAA Cc1c(F)cccc1CN1CCC2(CC1)Nc1ccccc1NC2=O 82147098 JNLKZPOPGIFMHD-UHFFFAOYSA-N 339.414 3.533 0 50 EHAA O=C(c1ncc(F)cc1F)N1CCC(CCc2ccccc2)CC1 91462106 HEYJAYXGWBKKMJ-UHFFFAOYSA-N 330.378 3.845 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@@H]1CCn1cccn1 91575185 NOAZWDIWKULRBC-OAHLLOKOSA-N 346.500 3.856 0 50 EHAA O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1ccc(-c2cc[nH]n2)cc1 91755517 PDVVWEPXENEVSL-HNNXBMFYSA-N 346.312 3.505 0 50 EHAA Cc1cccc(OCCCN(C)c2nc3c(s2)c(C)nn3C)c1 96165305 JPQFETLYSDSHBF-UHFFFAOYSA-N 330.457 3.552 0 50 EHAA O=C(Cc1c[nH]c2ccc(F)cc12)NCC1(c2ccccc2F)CC1 126572582 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343.559 3.671 0 50 EHAA C[C@@H](C(=O)NCCCO[C@@H]1CCCc2ccccc21)c1ccccn1 252495502 ORVVNTGHBZMJPI-OXQOHEQNSA-N 338.451 3.786 0 50 EHAA O=C(Nc1cccc(F)c1)N[C@H]1CC[C@H](Nc2ccccn2)CC1 253427473 FSKMYFQMRZTKMQ-SHTZXODSSA-N 328.391 3.766 0 50 EHAA C/C(=C\C(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)C1CC1 269976522 XIVANGHVLGVWFW-NMHAMGRWSA-N 339.357 3.696 0 50 EHAA CC[C@@H]1CCCC[C@H]1NC(=O)c1sc(-c2ncccn2)nc1C 298851719 LLCORKHEIALXTK-CHWSQXEVSA-N 330.457 3.607 0 50 EHAA Cc1cc2c(N3CC[C@H](n4c(C)nc5c4CCCC5)C3)nccc2o1 299739503 PLDSKYVZCQIAFN-HNNXBMFYSA-N 336.439 3.971 0 50 EHAA CC[C@@H](NC(=O)Cc1csc(C(C)=O)c1)c1nc(C)c(C)s1 299768594 LBKQXYMWAYJLSU-CYBMUJFWSA-N 336.482 3.834 0 50 EHAA c1ccc2c(c1)CCN(Cc1ccc(OC[C@H]3CCCNC3)cc1)C2 299787711 ZWQZQEDNLUOBCG-IBGZPJMESA-N 336.479 3.623 0 50 EHAA O=C(c1cnc2c(c1)CCCC2)N1CCC2(CC1)CNc1ccccc12 299789756 AJSDKTRKUXWBAZ-UHFFFAOYSA-N 347.462 3.560 0 50 EHAA CN(Cc1cc(C2CC2)on1)C(=O)[C@]1(c2cccs2)CC1(C)C 299800090 VTVMCPZBPFZRGU-GOSISDBHSA-N 330.453 3.940 0 50 EHAA Cc1oc2ccccc2c1CN(Cc1cccnc1)C[C@H]1CCNC1 328655621 YOJAKPFXAWYEIW-SFHVURJKSA-N 335.451 3.748 0 50 EHAA Cc1csc([C@H]2COCCN2Cc2cccc3c2OC(C)(C)C3)n1 351592976 LTUKZARTAJHQME-MRXNPFEDSA-N 344.480 3.739 0 50 EHAA CCN1CCN(C(=O)c2ccc(-c3ccc4occc4c3)cc2)CC1 426535768 YOGZTPAMAJXXJX-UHFFFAOYSA-N 334.419 3.878 0 50 EHAA O=C(NCc1cccnc1)N1CCCC[C@@H]1CCc1cccs1 426578575 KLKXQYAPAFKRLQ-MRXNPFEDSA-N 329.469 3.840 0 50 EHAA CC(C)(C)c1noc(CN2C[C@@H](c3cccc(F)c3)OCC2(C)C)n1 661740787 SFZVWKNBAPCNRU-HNNXBMFYSA-N 347.434 3.858 0 50 EHAA O=C(CCC(F)(F)F)Nc1ccc(OC[C@@H]2CCCCO2)cc1 828057227 XYJVBLJLLDMYTK-AWEZNQCLSA-N 331.334 3.916 0 50 EHAA CC(C)Oc1cncc(C(=O)N2C[C@@H](C)Oc3cc(F)c(F)cc32)c1 906232378 KAMCNBOKEVRSAY-LLVKDONJSA-N 348.349 3.575 0 50 EHAA O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cnn(C2CCC2)c1 935027622 OTNUEGKUNACWOT-UHFFFAOYSA-N 349.316 3.756 0 50 EHAA Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(F)c2occc12 935796190 VERXGIPQTXLVIW-INIZCTEOSA-N 327.359 3.673 0 50 EHAA CCn1cc(C(=O)Nc2c(-c3ccccc3)cnn2C(C)(C)C)cn1 1506412909 POGNRAZKTAPHRN-UHFFFAOYSA-N 337.427 3.774 0 50 EHAA O=C(c1scc2c1CCCC2)N1CCC(c2ccnc(O)c2)CC1 1772808662 XJSUAWUBIWQTLH-UHFFFAOYSA-N 342.464 3.747 0 50 EHAA CCN1C[C@H](n2ccnc2-c2ccc3cccc(Cl)c3n2)CC1=O 1857687901 KZAFBVALNWPWPK-CYBMUJFWSA-N 340.814 3.545 0 50 EHAA Cc1nnc(N(CCC(C)C)C(=O)[C@@H]2CC=CCO2)c2ccccc12 1875276101 OZQGKOVZOJQIIN-SFHVURJKSA-N 339.439 3.662 0 50 EHAA C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1c1ccnc2ncnn12 1875286920 NGSQEYRRURTSIE-INIZCTEOSA-N 347.344 3.659 0 50 EHAA Cc1cccc(N2CC[C@H](NCc3ccc(-c4ccccn4)nc3)C2)c1 2325777540 JMHPNWDUBYLZBB-IBGZPJMESA-N 344.462 3.821 0 50 EHAA CN(C(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc2[nH]ccc2c1 2325824901 UYLMUAVVNUVIRJ-UHFFFAOYSA-N 348.381 3.984 0 50 EHAA COc1cnccc1-c1ccc(C(=O)NCCCc2ccccn2)cc1 2356148743 PTCGXVJLPQABCK-UHFFFAOYSA-N 347.418 3.515 0 50 EHAA O=C(c1scc2c1CCCC2)N1CCN(c2ccccc2)CC1 34599 NUQGSMNNGOACKA-UHFFFAOYSA-N 326.465 3.589 0 50 EHAA CC1(C)CC2(CC(C)(C)N1)OC(=O)N1CCc3ccccc3[C@@]12C 105572 GYBHSJDARJTSAO-LJQANCHMSA-N 328.456 3.590 0 50 EHAA Cc1nc2cc(C(=O)O)ccc2n1-c1ccc(Br)cc1 266816 KYXHXVCKYFDHMK-UHFFFAOYSA-N 331.169 3.795 0 50 EHAA O=C(NC(=S)Nc1cccnc1)c1ccc(Cl)cc1Cl 455131 WICIAQBNGXJXRC-UHFFFAOYSA-N 326.208 3.515 0 50 EHAA CCOc1ccc(C(=O)Nc2cccc(C)n2)cc1Br 989827 BMFMJXGDVJUUDT-UHFFFAOYSA-N 335.201 3.804 0 50 EHAA C[C@H](C(=O)Nc1cccc(F)c1)[C@@H]1Sc2ccccc2NC1=O 1062422 WCLMPKKJYMNGQI-BONVTDFDSA-N 330.384 3.513 0 50 EHAA O=C(O[C@@H](CN1CCCCC1)C(F)(F)F)c1cccc(Cl)c1 1395966 HEIDWQFZKAHOCT-ZDUSSCGKSA-N 335.753 3.914 0 50 EHAA O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc2C1 2115129 GJTUZHHBSHNCBZ-UHFFFAOYSA-N 327.252 3.581 0 50 EHAA O=C1c2ccccc2C(=O)N1CCCSc1nc2ccccc2o1 2349736 IRGFWIKXPSFKJO-UHFFFAOYSA-N 338.388 3.606 0 50 EHAA CC1CCN(CCOCCOc2ccccc2Br)CC1 2953140 NYMYVLUXWITKLK-UHFFFAOYSA-N 342.277 3.576 0 50 EHAA CCCCC(=O)OCC(COC(=O)CCCC)OC(=O)CCCC 4521911 PZJLFHDNXGAZHU-UHFFFAOYSA-N 344.448 3.555 0 50 EHAA Cc1cccc(NC(=O)CSc2nc(C)c3c(n2)CCCC3)c1 6701355 HLYFGVPJEZAOOF-UHFFFAOYSA-N 327.453 3.703 0 50 EHAA CC[C@H](C)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1 6742352 KJSPPXHQSTZLJY-INIZCTEOSA-N 338.455 3.949 0 50 EHAA CCCc1nnc(SCc2cc(=O)c3c(C)cc(C)cc3[nH]2)n1C 8617294 MWTXYOXWSBUNBD-UHFFFAOYSA-N 342.468 3.518 0 50 EHAA CCCC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C 8625010 YFJJJDIUZFLDGR-UHFFFAOYSA-N 342.487 3.586 0 50 EHAA CC(C)NC(=O)COc1c(Cl)cc(Cl)cc1Br 9779179 HDFVPELQAWKAHS-UHFFFAOYSA-N 341.032 3.659 0 50 EHAA Cc1ccc(CCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 10315366 OWMHDLGCQBGHLU-UHFFFAOYSA-N 336.479 3.893 0 50 EHAA CC(C)=CCN1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 11813028 PDQJAJXERGCXOU-UHFFFAOYSA-N 348.494 3.721 0 50 EHAA CCn1ccnc1CN1CCC(CCC(=O)Nc2ccccc2)CC1 12299862 SSYLJBMLOZSNSI-UHFFFAOYSA-N 340.471 3.534 0 50 EHAA Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c(F)cccc12 12308380 SQFJMVDPGBPJCN-UHFFFAOYSA-N 338.382 3.843 0 50 EHAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(CN2CCOCC2)cc1 13324813 RVNGRLFWDMOUIJ-UHFFFAOYSA-N 345.830 3.816 0 50 EHAA O=C(c1ccccc1)N1CCN(Cc2cccc3ccccc23)CC1 19368867 GEWDMRFDKYBEPF-UHFFFAOYSA-N 330.431 3.798 0 50 EHAA CN(CCc1ccccn1)[C@H]1CCC(=O)N(CC2CCCCC2)CC1 23505685 KYVZJAFMYNOMCI-FQEVSTJZSA-N 343.515 3.517 0 50 EHAA Cc1ccsc1CN(CCO)Cc1c[nH]nc1-c1ccc(F)cc1 55211311 BUCBBQKPFODPQN-UHFFFAOYSA-N 345.443 3.580 0 50 EHAA COCc1ncc(CN2CCC[C@H](CCc3ccccc3F)C2)cn1 71753180 ZFFIXSXLQAXUPB-MRXNPFEDSA-N 343.446 3.607 0 50 EHAA O=C1CC[C@@]2(CCCO2)CCN1Cc1cccc(OC(F)(F)F)c1 72153627 HUUKXFDZZLOVLZ-INIZCTEOSA-N 343.345 3.647 0 50 EHAA C[C@@H](c1cccc(CN2CCC(C3CCN(C)CC3)CC2)c1)N(C)C 72156850 PWVABRFMFBGZEA-SFHVURJKSA-N 343.559 3.863 0 50 EHAA Fc1ccc2[nH]c([C@@H]3CCCCN3Cc3nnc(C4CC4)o3)nc2c1 72170422 VBUOTZSQQSSVJC-HNNXBMFYSA-N 341.390 3.690 0 50 EHAA CN1CCC[C@]2(CCCN(Cc3ccc(CCC(C)(C)O)cc3)C2)C1 72429372 XIOHRRCCAONXHC-QFIPXVFZSA-N 344.543 3.698 0 50 EHAA Cc1nc(C)c(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)s1 77320364 FYPGUQNQPGNEAB-AWEZNQCLSA-N 348.443 3.830 0 50 EHAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cnc2ccccc2c1 82120981 WJEASZCHEBUDQA-KRWDZBQOSA-N 345.446 3.833 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)Cc2c(C)[nH]c3c(F)cccc23)on1 91351287 HPDGJWFVPRREMH-MRXNPFEDSA-N 341.386 3.818 0 50 EHAA O=C1CCCN1c1ccc(CNc2ncnc3cc(F)ccc23)cc1 91519383 FSLWOSJZBCHZEI-UHFFFAOYSA-N 336.370 3.508 0 50 EHAA C[C@H](NC(=O)Nc1ccccc1CCC(=O)N(C)C)C1=CCCCC1 97696262 JPLCCWNRCWZCMI-HNNXBMFYSA-N 343.471 3.718 0 50 EHAA O=C(C[C@@H]1OCCc2ccccc21)Nc1ccccc1-n1ccnc1 115329821 JKLRDENLDBLSPL-IBGZPJMESA-N 333.391 3.515 0 50 EHAA COc1ccc(-c2nc(SCC3CCCC3)[nH]c(=O)c2C#N)cc1 151704584 LWEHQLOEUCHMLB-UHFFFAOYSA-N 341.436 3.599 0 50 EHAA COc1ccc2cc(CN[C@H](Cc3ccccc3)C(=O)O)ccc2c1 170612755 OSURHEAITQLTOJ-HXUWFJFHSA-N 335.403 3.634 0 50 EHAA CSCC[C@@H](NCc1ccc(SC(F)(F)F)cc1)C(=O)O 170612831 VVRMPDLHWFKHLW-LLVKDONJSA-N 339.404 3.594 0 50 EHAA Cc1cc([C@](C)(O)CNCC2=Cc3cc(Cl)ccc3OC2)c(C)o1 174442000 QVNWMMJPHCVPCQ-LJQANCHMSA-N 347.842 3.823 0 50 EHAA COc1ccc(C(C)(C)C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 178440941 XQKOFIURWPXRJP-LJQANCHMSA-N 339.435 3.573 0 50 EHAA Cc1cccc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)c1F 179974836 WJCPFQWBCNAKGI-OAHLLOKOSA-N 327.403 3.782 0 50 EHAA Cc1cc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)nn1C(C)(C)C 182840566 FWFVYGBGYDPSMU-HNNXBMFYSA-N 345.418 3.729 0 50 EHAA CCC1=C(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)CCCO1 191484985 OLJSISFQDDEOIX-UHFFFAOYSA-N 343.452 3.850 0 50 EHAA CCN(C(=O)Cc1cnn(C)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 194842137 RNQOFWRUFODXIE-LBPRGKRZSA-N 339.361 3.591 0 50 EHAA CC(C)Cc1cc(C(=O)N2CCc3ccc(F)cc3[C@H]2C)n(C)n1 215544890 CWAZKMHLUBAVBG-CYBMUJFWSA-N 329.419 3.517 0 50 EHAA Cc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccnn1C(C)C 216226673 VPFDPXLOAOKQCM-GOSISDBHSA-N 341.455 3.594 0 50 EHAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 237489632 GKMISEYKBZRDSK-RISCZKNCSA-N 343.858 3.717 0 50 EHAA O=C(O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 238079261 GZYNMIDSINQSAQ-NSHDSACASA-N 333.771 3.537 0 50 EHAA CN(C)[C@H]1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccco2)C1 241720796 QSISUNZLICRMLP-OALUTQOASA-N 340.467 3.929 0 50 EHAA CC(C)(C)CNC(=O)c1c(Br)cccc1Br 252487861 ICWVAQWQDYOKEX-UHFFFAOYSA-N 349.066 3.988 0 50 EHAA CC(C)(C)c1nc2ccc(N3C(=O)N4CCC[C@@]4(C)C3=O)cc2s1 272403806 KTVUJYYVPCMIRI-SFHVURJKSA-N 343.452 3.915 0 50 EHAA CCc1ccnc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 273233247 AEEBGXUMUBGHBB-HKUYNNGSSA-N 342.414 3.775 0 50 EHAA CCCC(=O)N1CCC(c2ccccc2)(N(C)C(=O)CCC)CC1 408516722 RUUGJGFODGGOJV-UHFFFAOYSA-N 330.472 3.563 0 50 EHAA CCc1cc(CN(C)C(=O)c2ccc(-c3ccncc3C)cc2)on1 426571683 XCKSTQJTXQNLGA-UHFFFAOYSA-N 335.407 3.880 0 50 EHAA CC(C)N(C[C@H]1CCC(=O)N1)C(=O)c1ccc(-c2ccsc2)cc1 426707128 CPHQJOXBRACDDA-QGZVFWFLSA-N 342.464 3.544 0 50 EHAA CC[C@H](C)[C@H](NC(=O)Cc1cc2ccccc2c(O)n1)C(F)(F)F 451434928 UGOLQZMQZODLEW-BONVTDFDSA-N 340.345 3.576 0 50 EHAA O=C(CCc1ccc2ccccc2c1O)N1CC[C@H](COC(F)F)C1 451709629 OWMFKKFNMVWGEV-ZDUSSCGKSA-N 349.377 3.566 0 50 EHAA CCN(C(=O)c1c[nH]cc1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 496161905 QCGZOVPEKAEVBM-OAHLLOKOSA-N 349.475 3.575 0 50 EHAA CC(C)c1nc([C@@H]2CCCN(c3ccccn3)C2)n(-c2ccncc2)n1 584886500 LQLRAFZBNHKETB-MRXNPFEDSA-N 348.454 3.565 0 50 EHAA COCc1csc(CNc2cc(Br)ccc2CO)c1 657455459 KRNHEHCUBREBIN-UHFFFAOYSA-N 342.258 3.761 0 50 EHAA Cc1cc(C(=O)N2Cc3ccccc3[C@@H](O)C2)c2ccc(C)c(C)c2n1 952989981 TYAMGZMHQOIWQI-FQEVSTJZSA-N 346.430 3.849 0 50 EHAA CCCNC(=O)c1ccc(C)c(NC(=O)[C@H]2CCc3ccccc32)c1 952990885 JHIXTUCROQABPT-SFHVURJKSA-N 336.435 3.803 0 50 EHAA CCc1oc2ccccc2c1CC(=O)N[C@H]1CC[C@H](OC(F)F)C1 952994841 UBEUHVFSDPURAX-RYUDHWBXSA-N 337.366 3.814 0 50 EHAA C[C@H]1Cc2cc(-n3ccnc3-c3cc(CN(C)C)cs3)ccc2O1 1772813043 UJECNEMCXMJFFR-ZDUSSCGKSA-N 339.464 3.986 0 50 EHAA CC[C@@]12COC(=O)N1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)C2 1857666787 ZBFSWJKLMZHEHH-JOCHJYFZSA-N 348.446 3.674 0 50 EHAA CCCC[C@@H]1CN(C(=O)NCc2cccc(F)c2)C[C@H](C2CC2)O1 1857715352 NXNJDBCSACJZFD-QZTJIDSGSA-N 334.435 3.705 0 50 EHAA CCc1cccc(C)c1NS(=O)(=O)c1cc(OC)c(C)cc1C 1875319360 ZALZTLXMCIPROD-UHFFFAOYSA-N 333.453 3.984 0 50 EHAA CCCOc1ccc2ccccc2c1CN(C)C(=O)/C=C/CN(C)C 1875375683 KAUGMWVOIFCICG-DHZHZOJOSA-N 340.467 3.705 0 50 EHAA CC(=O)N1c2ccc(-c3cnc(-n4cccn4)c(C)c3)cc2CC1(C)C 1875407511 BNNLMYQCOXCBIE-UHFFFAOYSA-N 346.434 3.930 0 50 EHAA CCS[C@H]1CCC[C@H]1NC(=O)N1CCC(c2cc(C)no2)CC1 2325818414 LPTVSWVJCTURDM-ZBFHGGJFSA-N 337.489 3.546 0 50 EHAA O=C(Nc1cccc(Oc2cccnn2)c1)C1Cc2cscc2C1 2325823918 IODUCSPGEYDPAA-UHFFFAOYSA-N 337.404 3.684 0 50 EHAA OCC1(NCc2cccc(Cc3ccccc3)c2)Cc2ccccc2C1 2325842111 OJYPMLOGVQQUPZ-UHFFFAOYSA-N 343.470 3.897 0 50 EHAA Cc1cc(CN(C)C)ccc1NC(=O)c1cnc(O)c2ccsc12 2325856770 BDHXVIHIMBFPJV-UHFFFAOYSA-N 341.436 3.624 0 50 EHAA Fc1ccc2c(c1)CC[C@@H](CNCc1c[nH]nc1-c1ccccc1)O2 2325857905 UFEPWRODLDPNLD-SFHVURJKSA-N 337.398 3.699 0 50 EHAA C[C@H]1CCc2c(sc(NC(=O)CCc3ccccc3)c2C(N)=O)C1 35628 HFZIFZAMRUYLQC-LBPRGKRZSA-N 342.464 3.543 0 50 EHAA CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3o2)c1 110205 QBFHBMRPLYNPPG-UHFFFAOYSA-N 341.392 3.517 0 50 EHAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)C1C2CC3CC(C2)CC1C3 189742 FZAKIGJHBMFHGL-XZELYNGVSA-N 337.460 3.565 0 50 EHAA COC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc(Oc2ccccc2)c1 227973 DUKQYZVRYCTETQ-QGZVFWFLSA-N 337.375 3.529 0 50 EHAA Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C 376081 BLIKUDGXQGBOSA-UHFFFAOYSA-N 328.843 3.919 0 50 EHAA CCOC(=O)[C@H](CC)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1 449577 XNGOQIYCEMVTTD-LBPRGKRZSA-N 344.285 3.532 0 50 EHAA CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccs2)c1 451332 MNGKEJGXUHDUBS-UHFFFAOYSA-N 347.465 3.614 0 50 EHAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)/C=C/c1ccc2c(c1)OCO2 473724 VTCQBGAXBIWEKG-QGQQYVBWSA-N 339.366 3.936 0 50 EHAA O=C(CSc1ccccc1)Nc1nnc(Cc2ccccc2)s1 617894 KSEOMLFYLYXDGP-UHFFFAOYSA-N 341.461 3.860 0 50 EHAA Cc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)n2)cc1 996317 XSFUUEIBDYMQJY-KBPBESRZSA-N 342.420 3.724 0 50 EHAA COCc1nc2ccccc2n1Cc1ccccc1Br 2346630 QQEWUUJJIMBHKZ-UHFFFAOYSA-N 331.213 3.994 0 50 EHAA Cc1ccc(-n2nnc(C(=O)Nc3cc(F)ccc3F)c2C)cc1F 4484275 VYJGHRUNJVKMLT-UHFFFAOYSA-N 346.312 3.554 0 50 EHAA CCCc1nnc(NC(=O)Cc2coc3ccc(CC)cc23)s1 4807274 ILCKUUCZJXNILG-UHFFFAOYSA-N 329.425 3.980 0 50 EHAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1 5008213 PIPHJIAVRSNMCM-ZYHUDNBSSA-N 328.195 3.915 0 50 EHAA CCOc1ccc(NC(=O)CSc2nc3ccccc3n2C)cc1 5267751 VZSJBUDTECRYLG-UHFFFAOYSA-N 341.436 3.703 0 50 EHAA O=C1CC[C@@H](CCNCc2ccccc2F)N1C[C@H]1C[C@@H]2C=C[C@H]1C2 12280753 UQVRBEAGRHMJEP-JFRXWTBNSA-N 342.458 3.509 0 50 EHAA Cc1ccoc1C(=O)NCc1cccnc1N(C)Cc1ccccc1 12304388 POMGMNXTWIBLQI-UHFFFAOYSA-N 335.407 3.549 0 50 EHAA CN(Cc1ccc(F)cc1)Cc1nc(CCc2ccccc2)no1 12372896 KZXXFEHCKHZZIW-UHFFFAOYSA-N 325.387 3.626 0 50 EHAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3ccon3)C2)c1 12385635 KMQLDRXJQLQMCQ-INIZCTEOSA-N 328.412 3.557 0 50 EHAA C=Cc1ccc(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)cc1 12587483 HJIOKJGMGUIBSE-IBGZPJMESA-N 325.383 3.552 0 50 EHAA COc1cc2c(cc1OC)[C@@H](c1cccc(Br)c1)NCC2 22018353 SFBPSVMVHHKKOC-QGZVFWFLSA-N 348.240 3.701 0 50 EHAA O=C(N[C@@H]1C=CC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 41702052 UNMKIEMIGPKQSA-PKOBYXMFSA-N 349.386 3.554 0 50 EHAA COc1cccc(CN2CCN(c3cc(C)ccc3C)CC2)c1OC 55292205 SMNLPCHFZVSHCZ-UHFFFAOYSA-N 340.467 3.643 0 50 EHAA Cc1cnc(N2CCC[C@H](c3ccccc3)CC2)nc1-c1cnn(C)c1 63832175 RGNPGSRPHDNXSX-SFHVURJKSA-N 347.466 3.960 0 50 EHAA FC(F)(F)c1nccc(NCCSc2nc3ccccc3o2)n1 91595505 OHRONEBEVHKISH-UHFFFAOYSA-N 340.330 3.841 0 50 EHAA CCc1ccccc1OCCN1CCC[C@@H](c2nccn2CC)C1 91665710 NTVAUJIFQUJHGR-GOSISDBHSA-N 327.472 3.724 0 50 EHAA CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccc(C)cc1C)CC2 91933415 MFXMRXOBESMTHI-UHFFFAOYSA-N 343.471 3.560 0 50 EHAA C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1nc2cc(F)ccc2o1 114446473 DWEHBNVGSAWRLR-LBPRGKRZSA-N 337.358 3.745 0 50 EHAA Cc1ccccc1CN1CCC(NC(=O)c2cc(C(C)C)on2)CC1 120604448 HCSPARCHCLCMOE-UHFFFAOYSA-N 341.455 3.501 0 50 EHAA C[C@H](CCc1ccc(O)cc1)NC(=O)/C=C/c1ccnc(Cl)c1 152690938 NQXGHQMMAKHOOI-YSKGHYERSA-N 330.815 3.591 0 50 EHAA Brc1ccc(OC[C@@H]2CCOC2)c(Br)c1 170623472 GZDBMMSKSRKIFW-MRVPVSSYSA-N 336.023 3.627 0 50 EHAA COc1ccc([C@H]2CCCN2C(=O)CSC[C@@H]2CCCCO2)cc1 171356996 NVJDKLPFLGOFBW-ZWKOTPCHSA-N 349.496 3.661 0 50 EHAA O=C1Nc2cc(Br)ccc2/C1=C/c1cccc2nccn12 180573706 QYBUFKXUNXZMLM-LCYFTJDESA-N 340.180 3.590 0 50 EHAA Cc1ccc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)c(C)c1 186433566 XSXPDDHIGJCBRK-UHFFFAOYSA-N 345.389 3.705 0 50 EHAA Clc1ccc([C@H]2OCC[C@H]2NCc2cn3ccsc3n2)cc1 192055012 MDRQZBSJTZFWPM-HUUCEWRRSA-N 333.844 3.669 0 50 EHAA O=C(c1cnc2[nH]ccc2c1Cl)c1cnc2[nH]ccc2c1Cl 214499182 ZZUBQJKTAPDBPT-UHFFFAOYSA-N 331.162 3.977 0 50 EHAA CCOC[C@@H]1CCCN1Cc1ccc(OC)c2cccc(OC)c12 215269252 CYIVPNAUVIXNMD-INIZCTEOSA-N 329.440 3.858 0 50 EHAA Cc1nccc(C(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)n1 225450443 OMCGBNDZEQDWHB-UHFFFAOYSA-N 346.362 3.747 0 50 EHAA Cc1cc(OCC(=O)O)ccc1NC(=O)c1cc2ccccc2s1 237772547 AMDAWMASCINROH-UHFFFAOYSA-N 341.388 3.925 0 50 EHAA C[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1 239275016 BBQOKWPZUSZFOQ-UHIISALHSA-N 346.290 3.552 0 50 EHAA CC(=O)Nc1ccc(NC(=O)Nc2cc(CCC(C)C)n[nH]2)cc1 252496568 PLQPWJSBMMISAX-UHFFFAOYSA-N 329.404 3.601 0 50 EHAA Cc1nc(C(C)C)sc1CNC(=O)c1c(C)oc2c1C(=O)CCC2 252496781 PRQZWKNMPMPFDU-UHFFFAOYSA-N 346.452 3.925 0 50 EHAA CN(C(=O)[C@@H]1[C@H]2CCC[C@H]21)[C@H](c1ccc(Cl)cc1)c1ncccn1 253369927 JYDFMVYUHJGUNZ-LTIDMASMSA-N 341.842 3.724 0 50 EHAA CC(=O)Nc1ccc(C)c(N[C@@H](C)CC(=O)Nc2cccc(F)c2)c1 253427183 JCXFWVSRAXOMON-ZDUSSCGKSA-N 343.402 3.922 0 50 EHAA COc1cc(NC(=O)N2CCC[C@H]2C2CCC2)c(OC)c(C)c1OC 253431802 IDJXUBZIEXKQMV-HNNXBMFYSA-N 348.443 3.817 0 50 EHAA Cc1nc(CN(Cc2ccsc2)[C@H]2CC23CCNCC3)cs1 261912307 XTRDJQVIELHMCX-INIZCTEOSA-N 333.526 3.657 0 50 EHAA O=C(O)C[C@@H]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 299744536 PBUPNRRAFHBCFO-SNVBAGLBSA-N 347.308 3.562 0 50 EHAA Cc1cc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)C2)n[nH]1 299754088 ZXJUENKPNUWGRJ-PVAVHDDUSA-N 343.858 3.881 0 50 EHAA Cc1ccc2snc(C(=O)N[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)c2c1 328809191 AGKOAJYZPXCCRK-XZJROXQQSA-N 330.453 3.538 0 50 EHAA Cn1cc(NC(=O)N[C@@H]2CCOC(C)(C)C2)c(C2CCCCC2)n1 331596530 NLJRTCDJFWXCFJ-CQSZACIVSA-N 334.464 3.547 0 50 EHAA O=C1CC[C@H](c2cccc(NC(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)c2)N1 333802046 OFUAPPDKMRIBAW-DTTOXWODSA-N 341.455 3.728 0 50 EHAA O=C(Cc1coc2ccccc12)N1CCCCC[C@@H]1c1ncon1 376051541 XTKCUYRVUTXSBL-OAHLLOKOSA-N 325.368 3.502 0 50 EHAA Cn1cnc2c(C(=O)N3c4ccccc4[C@]4(C)CCCC[C@H]34)ccnc21 377139140 GWKSUOTVEFSCHJ-UWJYYQICSA-N 346.434 3.829 0 50 EHAA O=C(CC1CCNCC1)N1CCC[C@]2(CCCCc3ccccc32)C1 378202485 NJNAOVLEHXYZHW-JOCHJYFZSA-N 340.511 3.663 0 50 EHAA O=C(NCc1nnc(C2CC2)s1)c1ccc(Cl)c2occc12 822815573 KIJCZMXAXARFBG-UHFFFAOYSA-N 333.800 3.745 0 50 EHAA CCN1CCC(NC(=O)c2ccc(C3CC3)cc2)(C(F)(F)F)CC1 891212898 XSFCOARQLZSZKM-UHFFFAOYSA-N 340.389 3.711 0 50 EHAA CO[C@@H]1CCN(Cc2cnc(N(C)C)c3ccccc23)CC1(C)C 930642419 OJMOSAGEBWKQIL-GOSISDBHSA-N 327.472 3.548 0 50 EHAA O=C(NCCSC(F)(F)F)[C@H]1CCCc2c1[nH]c1ccccc21 1506341798 MNPQFSJSYFTHFK-LBPRGKRZSA-N 342.386 3.957 0 50 EHAA CC(=O)N[C@@H](C)CC(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1 1529158405 BQVFOXBTHVSCEA-LBPRGKRZSA-N 345.468 3.787 0 50 EHAA CC[C@H]1[C@H](NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)[C@H]2CCO[C@@H]12 1565526766 PFEGIAGKMQOSPD-KMTJZVEASA-N 338.451 3.590 0 50 EHAA Cc1ncc(Cl)c(NC[C@H]2CCN(Cc3ccccc3C)C2)n1 1704326486 XZLSHEJFTGRHAT-OAHLLOKOSA-N 330.863 3.681 0 50 EHAA CO[C@@H]1CCC[C@]12CCCN(C(=O)C(C)(C)Oc1cccc(C)c1)C2 1704358294 IJHOSNADIDOTOW-WIYYLYMNSA-N 345.483 3.960 0 50 EHAA CSc1ccc2cc(-c3nccn3C[C@@H]3CCCO3)c(O)nc2c1 1857687999 ORRJLVRXYXAZLE-ZDUSSCGKSA-N 341.436 3.705 0 50 EHAA CSc1ncc(CN2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)cn1 1875251560 VISFFQWBLJGQKR-MSOLQXFVSA-N 343.496 3.797 0 50 EHAA C[C@H]1[C@@H](NC(=O)C2CC2)CCCN1C(=O)CCCC1CCCCC1 1875332890 PKEVUFWULKRYPA-YJBOKZPZSA-N 334.504 3.643 0 50 EHAA Cn1ncc2cc(CC(=O)NC3CCC(c4ccccc4)CC3)ccc21 1875332899 PVQTWWNJFWKGDP-UHFFFAOYSA-N 347.462 3.958 0 50 EHAA Cc1nc2ccc(Nc3ccc(CC(=O)N(C)C)cc3)cc2s1 2100537256 KQZKXZNDGXQTPN-UHFFFAOYSA-N 325.437 3.979 0 50 EHAA CCOc1cccc([C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)c1 107493 UNFQFXGKGICQHD-CQSZACIVSA-N 327.380 3.577 0 50 EHAA CS(=O)(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccs1 550660 NGQAQXSASPSBIF-ZDUSSCGKSA-N 340.857 3.512 0 50 EHAA O=C1CCCc2nc3nc(SCc4ccccc4Cl)nn3cc21 2441510 MYXIGSOEVBACCX-UHFFFAOYSA-N 344.827 3.589 0 50 EHAA COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)cc1OC 4103706 DQDZGSHDHBRGEX-GOSISDBHSA-N 338.407 3.710 0 50 EHAA Cn1c(SCc2ccccc2)nnc1-c1ccc2c(c1)OCO2 4197039 KGFLKNRYBDXHNT-UHFFFAOYSA-N 325.393 3.503 0 50 EHAA C[C@H](c1ccccc1)N1C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=S 4670988 XFSVAHFGTTYMJE-FZKQIMNGSA-N 349.459 3.557 0 50 EHAA CCOCCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 4813788 RXOFTGBIZIAEFP-UHFFFAOYSA-N 331.799 3.936 0 50 EHAA O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(CC2CCCCC2)C1 11934366 PQEPVQJRYDRCKI-KRWDZBQOSA-N 329.440 3.890 0 50 EHAA COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H](C)C(=O)[C@@H]2C)cc1 13139343 RVYZVGKIODSCSZ-FQZPYLGXSA-N 339.435 3.931 0 50 EHAA CC(C)C[C@H](NC(=O)CCc1ccccc1)c1nnc2ccccn12 20726712 BAKGESHUWOYXOO-KRWDZBQOSA-N 336.439 3.566 0 50 EHAA CCOc1ccccc1N1CCN([C@H]2CCc3ccccc3C2)CC1 23282511 NNZUCTGFHNDEEH-FQEVSTJZSA-N 336.479 3.765 0 50 EHAA O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1Cl 28021623 KLDWAJNWFKLQAQ-MRXNPFEDSA-N 328.799 3.583 0 50 EHAA Cc1ccc(-c2nnc(-c3nnn(Cc4ccccc4)c3C)o2)cc1 65362151 VWJOATSIFRRYGQ-UHFFFAOYSA-N 331.379 3.660 0 50 EHAA O[C@@H]1CN(Cc2ccncc2F)CC[C@H]1c1ccc2ccccc2c1 65373223 UAPOXZMYIXKLTD-PZJWPPBQSA-N 336.410 3.724 0 50 EHAA Cc1ccc2nc(CN[C@H](C)c3cn4ccsc4n3)[nH]c2c1C 67803597 XWQAAYIEOQXYLC-GFCCVEGCSA-N 325.441 3.740 0 50 EHAA Cc1cnc(Cn2ccnc2-c2ccc(-c3ccccn3)cc2)cn1 71754435 AMQQWSIAHAKZJI-UHFFFAOYSA-N 327.391 3.759 0 50 EHAA Cc1ccc(C2=NN(CN3CCCCC3)C(=O)[C@@H]3CCCC[C@@H]23)cc1 71782589 AZBSOQZPYUMIOP-RTBURBONSA-N 339.483 3.791 0 50 EHAA COCc1noc(-c2ccc(-c3c(F)cccc3OC(C)C)nc2)n1 72153834 BZBDIGANOZSRCU-UHFFFAOYSA-N 343.358 3.871 0 50 EHAA O=C1CC[C@@]2(CCCN(Cc3ccc4occc4c3)C2)CN1C1CC1 77458073 CXIDLIZKRIFZSN-OAQYLSRUSA-N 338.451 3.800 0 50 EHAA FC(F)(F)c1cccc(CCN[C@@H]2CCOC3(CCOCC3)C2)c1 77505070 RTLNTFBSFXTGLQ-MRXNPFEDSA-N 343.389 3.566 0 50 EHAA OCC1(CN[C@@H](Cc2ccccc2)C2CCCCC2)CCOCC1 90661969 IXLSPPVBQUCXKK-FQEVSTJZSA-N 331.500 3.557 0 50 EHAA Cc1cccc(C[C@@H]2CC(=O)N(c3nc4ccccc4s3)C2=O)c1 100204223 FQPCFTJWRDXXLK-CQSZACIVSA-N 336.416 3.727 0 50 EHAA COc1ccc(N[C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)cc1 100949570 ZCPBDHKJQIWFOF-SFHVURJKSA-N 346.386 3.592 0 50 EHAA Cc1cnccc1NC(=O)N1CCC(COc2ccccc2)CC1 121077310 FWCDRDLIOTYFDA-UHFFFAOYSA-N 325.412 3.713 0 50 EHAA CC(C)Cc1cc(C(=O)N(C)[C@H](C)Cc2ccsc2)cc(O)n1 134050096 REVLLZHZOGMNKZ-CYBMUJFWSA-N 332.469 3.750 0 50 EHAA COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(C)n(C(C)(C)C)n1 171194781 MNHHVKSTQHACGD-KRWDZBQOSA-N 341.455 3.932 0 50 EHAA CC(C)Cn1ncnc1CN1CCC[C@H]1c1nc2ccccc2s1 182627074 RPORMTKTNVDSTP-HNNXBMFYSA-N 341.484 3.881 0 50 EHAA Cc1cc([C@H](C)NCc2nnc3n2CCCC3)ccc1Br 183856813 PKYGVMBKACXESR-LBPRGKRZSA-N 349.276 3.536 0 50 EHAA CS[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2 187313929 JYPGWPRTGPDKHZ-JTQLQIEISA-N 346.477 3.553 0 50 EHAA O=S(=O)(Nc1ccc2scnc2c1)c1ccc(Cl)s1 195107378 ORXCINUYBFJGQO-UHFFFAOYSA-N 330.843 3.812 0 50 EHAA CN(C)Cc1ccc([C@@H]2CCCN2Cc2cccc3nonc23)cc1 216253054 LLOGZNGXWNEXSM-IBGZPJMESA-N 336.439 3.622 0 50 EHAA CN(Cc1cccc2cnccc12)C(=O)Cc1ccc(N(C)C)cc1 223207512 HNHAVLUUMSWTHE-UHFFFAOYSA-N 333.435 3.502 0 50 EHAA CCO[C@@H](C)c1nc(Cc2nc(-c3cccc(OC)c3)no2)cs1 225428802 IPGDRADWWKYMSU-NSHDSACASA-N 345.424 3.890 0 50 EHAA CCS(=O)(=O)c1ccc(N[C@@H]2CCO[C@H](c3ccccc3)C2)cc1 225523071 IVCVEMNTYZXNCP-MJGOQNOKSA-N 345.464 3.812 0 50 EHAA O=C(NCC1(c2ccccc2Cl)CCC1)[C@@H]1CCCN1C1CC1 225627492 FKJCMVNBIPIHEQ-KRWDZBQOSA-N 332.875 3.505 0 50 EHAA Cc1cc(C)n([C@@H]2CCN(Cc3cncn3C3CCCCC3)C2)n1 244659711 HHQPTDBEHDWFSC-GOSISDBHSA-N 327.476 3.649 0 50 EHAA O=C1[C@@H]2CC[C@@H](CN(C/C=C/c3ccc(F)cc3)C2)N1CC1CCC1 247813166 BZUSNTFTSUYNLV-QYHQSPQASA-N 342.458 3.562 0 50 EHAA COc1ccc(C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2ccco2)cc1 247903411 GQMXOJPZFWMQRM-CGTJXYLNSA-N 325.408 3.625 0 50 EHAA CCOC(=O)C(C)(C)Oc1cccc2c1[S@@](=O)c1ccccc1-2 252428282 WPSIJGKKLOCOCZ-QHCPKHFHSA-N 330.405 3.554 0 50 EHAA CCCOC(=O)[C@@H](C)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 252668792 FPESAWGUSMMFFI-DYVFJYSZSA-N 345.418 3.694 0 50 EHAA CC1(C)CN(C(=O)CCc2cccc(OC3CCCC3)c2)CC[C@H]1N 261673184 CAHOKXSIXGFLOE-LJQANCHMSA-N 344.499 3.526 0 50 EHAA CC(C)c1ccc(C2(C(=O)N3CC[C@@](C)(CN)C3)CCCC2)cc1 261941632 JKCBVZKWGZWTRB-FQEVSTJZSA-N 328.500 3.819 0 50 EHAA CC[C@H]1C[C@H](CC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CCO1 281133334 TXQWBPXTTOKHIF-QOFRNUMZSA-N 341.373 3.671 0 50 EHAA Cc1cc(F)ccc1C1CCN(C(=O)N[C@@H](C)c2cn[nH]c2)CC1 291617991 BNCUGXDKTRQACD-ZDUSSCGKSA-N 330.407 3.507 0 50 EHAA Cc1cccc(F)c1NC(=O)N[C@H]1CCO[C@@H](c2cccnc2)C1 296933017 UWMDHMVIAOCPJL-GOEBONIOSA-N 329.375 3.571 0 50 EHAA O=C(O)[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)c2ccccc21 325891965 SPYNNWCISYHXCJ-AWEZNQCLSA-N 341.432 3.846 0 50 EHAA O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cc(Cl)ccc1F 344338291 HYJPXMOXZVYQIK-UHFFFAOYSA-N 334.713 3.656 0 50 EHAA O=C(Nc1ccc2[nH]ccc2c1)N1CC[C@H](Oc2ccc(F)cc2)C1 363727218 UDDJIBNYFJUFET-KRWDZBQOSA-N 339.370 3.992 0 50 EHAA O=C(c1cccc(CN2CCCCCC2)c1)N1CCC(F)(F)CC1 426722745 ZHZBIKPCNAMVMT-UHFFFAOYSA-N 336.426 3.934 0 50 EHAA COCCN1CCC[C@H](CN(C)c2nc(-c3ccccc3)cs2)C1 670434617 ZDESVRZEGZASQC-MRXNPFEDSA-N 345.512 3.605 0 50 EHAA c1cc(Cn2cc(N[C@@H]3CCOC4(CCCCC4)C3)cn2)ccn1 894391699 HNEAILWRCKSILW-QGZVFWFLSA-N 326.444 3.620 0 50 EHAA c1cncc(-c2nc3c(c(N[C@@H]4CCCc5cnccc54)n2)CCC3)c1 897136552 UPVGTEGTNUZAKK-GOSISDBHSA-N 343.434 3.912 0 50 EHAA O=C(Nc1cccc(-c2cnc[nH]2)c1)c1cccc(Cn2cccn2)c1 952977881 IZFDIWMINMVWCI-UHFFFAOYSA-N 343.390 3.574 0 50 EHAA C[C@@H]1CN(C(=O)NCCc2cccc(Cl)c2)CC2(CCCC2)O1 1223762225 DAXPSLPBRUJUBD-CQSZACIVSA-N 336.863 3.626 0 50 EHAA CCc1cnc(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)nc1 1565513102 AWZOSDJOOLVXGC-UXHICEINSA-N 333.435 3.547 0 50 EHAA CCCc1cnc(C)nc1NCCc1nc(C)cc(C(F)(F)F)n1 1704352852 KEYPWDAJDVFPED-UHFFFAOYSA-N 339.365 3.509 0 50 EHAA c1cc(SCc2nnc(NCCCC[C@@H]3CCCO3)o2)ccn1 1772704557 CIOXIGHRESMGNL-CYBMUJFWSA-N 334.445 3.518 0 50 EHAA CC(C)=CCCN1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857695203 ZLQCEMPSPZQRDF-HXUWFJFHSA-N 327.472 3.696 0 50 EHAA Cc1sc2nc(-c3cccnc3)nc(N(C)CC[C@@H](C)O)c2c1C 1875260708 ACZBBBDRGWFRMV-LLVKDONJSA-N 342.468 3.577 0 50 EHAA Cc1nnc(Cc2cccc(-c3ccc4c(c3)C(=O)C(C)(C)O4)c2)o1 2325778013 XFVAFTYJSNBWGR-UHFFFAOYSA-N 334.375 3.990 0 50 EHAA Cc1cc(C)c2cc(C(=O)Nc3cccc(CCN)c3)sc2n1 2325859404 XZPDINRDAFDKHZ-UHFFFAOYSA-N 325.437 3.667 0 50 EHAA CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@H](c2cccc(F)c2)NC(=O)N1 44844 VLLWMLBBFICXTL-CXMBCZLWSA-N 346.402 3.576 0 50 EHAA COc1ccc2c(c1)C1=C(CC2)[C@H](c2ccccc2F)NC(=S)N1 108564 LGYWVRDGOVFKGS-KRWDZBQOSA-N 340.423 3.711 0 50 EHAA O=C1[C@H](Cc2c[nH]c3ccccc23)N=C(O)N1c1ccc(Cl)cc1 485518 LRKMJKNAAABILV-INIZCTEOSA-N 339.782 3.693 0 50 EHAA biogenic CCc1nc2sc(C(=O)c3ccc4c(c3)OCO4)c(N)c2cc1C 535481 AMSKHSLPHYYGQF-UHFFFAOYSA-N 340.404 3.709 0 50 EHAA CC(=O)c1cccc(NCn2nc(-c3ccncc3)oc2=S)c1 1425691 AVPRCFXXVAEOJX-UHFFFAOYSA-N 326.381 3.540 0 50 EHAA COC(=O)COc1cc2ccccc2cc1C(=O)Nc1ccccc1 1426039 ZCNXLMSUYGCKRU-UHFFFAOYSA-N 335.359 3.644 0 50 EHAA O=C(O)c1ccccc1-c1nnc2c(Cl)cc(C(F)(F)F)cn12 2243925 KMMWGFVFICSUDA-UHFFFAOYSA-N 341.676 3.767 0 50 EHAA CC(C)OCCCNC(=O)c1cc(Br)ccc1Cl 2879060 XIKPTQHCQXCXFO-UHFFFAOYSA-N 334.641 3.647 0 50 EHAA O=C(O)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccco1 2882801 JKXCYTYNXQEUPJ-KRWDZBQOSA-N 349.386 3.744 0 50 EHAA Cc1nc2ccccc2nc1Cn1c(=O)oc2ccc(Cl)cc21 5451131 ZFKGKZFJCNFEEN-UHFFFAOYSA-N 325.755 3.548 0 50 EHAA Cc1ccc(C)c(Cn2nc(C)n3c(cc4cc(C)ccc43)c2=O)c1 6803356 RUSXUBYUFCHAJK-UHFFFAOYSA-N 331.419 3.931 0 50 EHAA CC1(C)C[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)c2ccccc2O1 10544191 FUGPIPSSXVJSPB-MRXNPFEDSA-N 349.427 3.548 0 50 EHAA O=C(NCCc1ccccc1)N1CCC[C@H](Nc2cccc(F)c2)C1 12298638 RRXKSAPGAGAPSD-IBGZPJMESA-N 341.430 3.654 0 50 EHAA COc1ccc(-c2nc(CN(C)[C@@H](C)c3ccon3)c(C)o2)c(F)c1 14958915 GNRLAVMARQPLJW-NSHDSACASA-N 345.374 3.979 0 50 EHAA CCOC(=O)[C@@H]1CCCN(Cc2ccc(OC)c3ccccc23)C1 23281189 DOLUUTGDNCGHCD-MRXNPFEDSA-N 327.424 3.624 0 50 EHAA Clc1ccc(-n2cccc2CN2CCC[C@H](N3CCCC3)C2)nc1 23359719 KZQVHYCVSHRBAF-KRWDZBQOSA-N 344.890 3.586 0 50 EHAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2)N1 34792429 XGVZWMNWLZHJDM-SJORKVTESA-N 340.810 3.598 0 50 EHAA in-vitro CCN(CCOc1cccc(C)c1)C(=O)c1cccc(C(C)=O)c1 55042038 ISVIMPOPADXKLO-UHFFFAOYSA-N 325.408 3.739 0 50 EHAA CC[C@H](CO)N(Cc1ccc(C)s1)C(=O)C1Cc2ccccc2C1 55568983 HKGDTUKBNVRTJL-GOSISDBHSA-N 343.492 3.571 0 50 EHAA Cc1cc(Cl)ccc1NC(=O)[C@@H](C)n1ncc2ccccc2c1=O 65363014 HFJXLHHDTGSLJG-GFCCVEGCSA-N 341.798 3.558 0 50 EHAA O=C(CCN(Cc1ccsc1)C1CC1)N1CCc2ccccc2C1 65398548 WAVWJXXXJVXDOX-UHFFFAOYSA-N 340.492 3.688 0 50 EHAA COc1ccc(F)c(F)c1CN1CCC[C@@H](OCc2ccccn2)C1 72125632 RVAGLZPYLLYUNV-OAHLLOKOSA-N 348.393 3.550 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1ccco1)N1CC(c2cccnc2)C1 72166678 DEOKFSRCUDQNQQ-IBGZPJMESA-N 332.403 3.823 0 50 EHAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)CCCc1cccs1 72454270 VUCAJUOBXUGFDY-UHFFFAOYSA-N 339.464 3.915 0 50 EHAA COc1cccc([C@H]2CCCCN2C(=O)c2ncc(F)cc2F)c1 77455248 NAIHGOVDUHEQHY-MRXNPFEDSA-N 332.350 3.736 0 50 EHAA Cc1cc(COc2ccccc2)oc1-c1nc(-c2cccnn2)no1 91657264 DAPLLZYTZUNHCT-UHFFFAOYSA-N 334.335 3.674 0 50 EHAA O=C(N[C@H](c1cccnc1)C(F)(F)F)c1ccc(-c2cc[nH]n2)cc1 91755520 PDVVWEPXENEVSL-OAHLLOKOSA-N 346.312 3.505 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)N1CCCCC[C@H]1CO 95526285 GGGMJVPISTYKDM-HNNXBMFYSA-N 334.460 3.762 0 50 EHAA Cc1noc(C2CC2)c1NS(=O)(=O)c1cccc(C(F)(F)F)c1 126905701 KCBUBAZYUMKAPY-UHFFFAOYSA-N 346.330 3.680 0 50 EHAA Cc1ccc2nc(C3CC3)cc(C(=O)NCC[C@@H]3CCCNC3)c2c1 152808837 PLJHSHUNHZHDIA-HNNXBMFYSA-N 337.467 3.540 0 50 EHAA O=C1CCCCN1Cc1cccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)c1 170085931 SIJWGDQHRAURGN-WMZOPIPTSA-N 341.455 3.605 0 50 EHAA COc1ccc(C(=O)N2CCn3cccc3[C@H]2C)cc1-c1ccccn1 178855234 NOKYHXOBOBQLMS-OAHLLOKOSA-N 347.418 3.776 0 50 EHAA O=C(Nc1cccc2c1OCCO2)N1CCC(c2ccsc2)CC1 187078471 VNVPPDAQISLNOI-UHFFFAOYSA-N 344.436 3.931 0 50 EHAA Cc1ccc(-n2cc(NC(=O)C3CCN(C(C)C)CC3)cn2)c(C)c1 191405719 WTDIFBOFFWRINB-UHFFFAOYSA-N 340.471 3.548 0 50 EHAA C[C@@H](Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1)C(=O)O 191406977 BOOGNDJDCWEQNG-LBPRGKRZSA-N 331.799 3.784 0 50 EHAA COCCN(Cc1oc2ccccc2c1C)Cc1c(C)nn(C)c1C 216474042 ASJBPQCNBJGKFT-UHFFFAOYSA-N 341.455 3.740 0 50 EHAA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)C1CCCCC1 219722565 PKJXRWFENFAZTC-OUNSHVDWSA-N 338.451 3.743 0 50 EHAA CC(C)(C)N(CC(F)(F)F)C(=O)c1cncc(Br)c1 225795630 XAOKISLRBHYQOI-UHFFFAOYSA-N 339.155 3.647 0 50 EHAA O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@H](c1ccccc1)n1cccn1 252680076 VKXYMZHVXCINEW-FFGOWVMKSA-N 337.467 3.948 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 269285201 SBFMMXKIVZUZAG-JLUCKKNBSA-N 341.282 3.683 0 50 EHAA Cc1ccc(-c2cn(CC(=O)c3cccc(Cl)c3)c(=N)n2C)cc1 334157509 DQWSGVMOZDHEIK-UHFFFAOYSA-N 339.826 3.818 0 50 EHAA C[C@H](C(=O)N1Cc2ccccc2OC(C)(C)C1)n1cnc2ccccc21 356615078 ZKKMMNJOBHCFBI-OAHLLOKOSA-N 349.434 3.797 0 50 EHAA Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 374439355 UUASTVRNFFMSBY-LSDHHAIUSA-N 334.485 3.608 0 50 EHAA O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2nccc3ccccc23)cc1 426504645 UIHCTAIYXXMJOU-PMACEKPBSA-N 346.430 3.935 0 50 EHAA Cn1c(C(=O)N2CC[C@H](Oc3ccccc3)C2)cc2cc(F)ccc21 426593846 SKDWBZFTDRUHEP-KRWDZBQOSA-N 338.382 3.611 0 50 EHAA NC[C@H]1CCCCN1C(=O)c1ccc(-c2nccc3ccccc23)cc1 426599600 NBZZHRAXOQJUMB-LJQANCHMSA-N 345.446 3.855 0 50 EHAA CCN(C(=O)c1cccc(-c2cnn3ccccc23)c1)C1CCOCC1 534664015 SOMCPZYJQDYSQD-UHFFFAOYSA-N 349.434 3.642 0 50 EHAA CCCOC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 732496862 FHSWBPNDFGLJRG-UHFFFAOYSA-N 344.358 3.936 0 50 EHAA CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2c[nH]cc2C)C1 818026839 YVQAXGYJVUHESI-HNNXBMFYSA-N 336.439 3.713 0 50 EHAA Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccnn3C3CCC3)c12 890350208 YPAYHONWJIBTAR-UHFFFAOYSA-N 339.399 3.828 0 50 EHAA C[C@]1(NC(=O)c2coc(=O)c3ccccc23)CCCc2ccccc21 1266563873 OFVFKEUALXWRQJ-NRFANRHFSA-N 333.387 3.775 0 50 EHAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1csc2ccccc12 1857674464 JOAYHCPCJCHGOB-BKGUAONASA-N 329.421 3.759 0 50 EHAA C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1c(O)cccc1F 1857696949 GHFPJRVKTSVWJX-GFCCVEGCSA-N 339.370 3.755 0 50 EHAA c1csc([C@H]2CN(c3nccn4cncc34)Cc3ccccc32)c1 1875338580 COUHKTLWBAZYRE-INIZCTEOSA-N 332.432 3.943 0 50 EHAA COc1cccc(-c2c[nH]cc2C(=O)N[C@@H](C)c2nc(C)c(C)[nH]2)c1 2325731483 BCGKJXSGSBLHFK-ZDUSSCGKSA-N 338.411 3.521 0 50 EHAA C[C@@H](CCCO)N(Cc1ccccc1F)C[C@H]1CCOC(C)(C)C1 2325771963 GHSHYMQGZZZRMS-IRXDYDNUSA-N 337.479 3.994 0 50 EHAA CO[C@H](C(=O)O)C1CCN(Cc2ccc(-c3ccc(C)cc3)o2)CC1 2325788221 TUVVPVJJPGRNNC-IBGZPJMESA-N 343.423 3.567 0 50 EHAA CCCc1ccc([C@@H](C)NC[C@@H](CO)Cc2ccccc2C)nc1 2325842456 ZILXOMYIKISNDU-MJGOQNOKSA-N 326.484 3.844 0 50 EHAA CCOC(=O)c1c(NC(=O)c2cccnc2)sc2c1CC[C@H](C)C2 117812 JGJFWEKORJVQHS-NSHDSACASA-N 344.436 3.697 0 50 EHAA O=C(Cc1cccc2ccccc12)NC(=S)N1CCc2ccccc21 358819 IIOZEBZPCFNUAD-UHFFFAOYSA-N 346.455 3.846 0 50 EHAA COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 380176 DTBUQBVODCPZNB-UHFFFAOYSA-N 347.436 3.572 0 50 EHAA CCOc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 1140911 IOPCJSAVMWPCEC-UHFFFAOYSA-N 345.342 3.905 0 50 EHAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3cccc4cnccc34)C1)CC2 2356158910 DSRAGAPQALNRLP-JOCHJYFZSA-N 344.462 3.813 0 50 EHAA CCCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 6701733 KACMQVYXLMEYPD-UHFFFAOYSA-N 342.414 3.577 0 50 EHAA Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccn2)c1 6702562 XARYCLFCOGYHMS-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA COc1ccc(C(=O)/N=c2/sc3cc(Cl)ccc3n2C)cc1 103290614 GPTWPKIPEYMZOU-FBMGVBCBSA-N 332.812 3.643 0 50 EHAA COc1ccc(NC(=O)Cc2c(C)n[nH]c2C)cc1OC1CCCC1 225532737 OJYRSSHPIFUANE-UHFFFAOYSA-N 343.427 3.538 0 50 EHAA CCSc1nc(CC(=O)N[C@@H]2CCCc3ccccc32)cs1 55224578 UIPXDUGQKTXTAQ-OAHLLOKOSA-N 332.494 3.991 0 50 EHAA CCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 101359442 FKHDYDYCAMBLJJ-PBWTXFEYSA-N 337.419 3.733 0 50 EHAA CC(=O)N1CCc2cc(NC(=O)N3CCC[C@H]3c3ccco3)ccc21 116479996 RQQWRQYJSADTGC-KRWDZBQOSA-N 339.395 3.558 0 50 EHAA COc1cccc2c(C)cc(N3CCN(c4ccccc4)CC3)nc12 23634146 YIRPNWFAZUAFGI-UHFFFAOYSA-N 333.435 3.878 0 50 EHAA CN1CCC(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 65362314 TVMQFKDXJLERAI-UHFFFAOYSA-N 328.387 3.551 0 50 EHAA Cc1oc(-c2cc(F)cc(F)c2)nc1COc1ccccc1C(N)=O 67973954 TYDVSJSOFPOKMR-UHFFFAOYSA-N 344.317 3.606 0 50 EHAA CC(C)(C)[C@@H](O)[C@@H](Cc1ccc(Cl)cc1Cl)n1cncn1 967740 URDNHJIVMYZFRT-KGLIPLIRSA-N 328.243 3.776 0 50 EHAA biogenic,in-vitro CCN(CCO)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12 1530654 XXSMGPRMXLTPCZ-AWEZNQCLSA-N 335.879 3.783 0 50 EHAA biogenic,fda O=C(NCc1cccc2ccccc12)c1ccccc1[C@@H]1CCNC1 72149247 CMMFMEPRMQXHME-GOSISDBHSA-N 330.431 3.847 0 50 EHAA C[C@H](c1cccnc1)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 253630237 PGOVWNRZGZGMPF-CRAIPNDOSA-N 333.439 3.807 0 50 EHAA Fc1cc(Br)ccc1Cn1ccc(-c2ccccn2)n1 253427259 DUAOGKNYFXFGHM-UHFFFAOYSA-N 332.176 3.895 0 50 EHAA Cc1cc(O)c(C(C)C)cc1NC(=O)c1cnn(-c2ccccc2)n1 153486941 TZYXVVOPBLMKCX-UHFFFAOYSA-N 336.395 3.657 0 50 EHAA O=C(c1nccc2ccccc12)N1CCO[C@]2(CCc3ccccc32)C1 158529956 FLQCCMSWDVLPNI-JOCHJYFZSA-N 344.414 3.549 0 50 EHAA O=C(CCCc1ccc(Cl)cc1)N1CCN(CC2CCC2)CC1 77337625 OTPAZCFEVVQSME-UHFFFAOYSA-N 334.891 3.607 0 50 EHAA CC(C)Cn1cncc1Cn1ccnc1-c1cnc(-c2ccco2)nc1 77420318 SUWRYPKVMIYBSJ-UHFFFAOYSA-N 348.410 3.501 0 50 EHAA Cc1cccc2[nH]c([C@@H]3CCCN(Cc4cccc(CCN)c4)C3)nc12 72158194 HJTXRWGGEBCJQE-LJQANCHMSA-N 348.494 3.752 0 50 EHAA CCOc1ccc(Cc2nnc(S)n2CCc2ccccc2)cc1 17071138 FAWKIDGDMXKNHN-UHFFFAOYSA-N 339.464 3.799 0 50 EHAA O=C(CCSCc1ccc(F)cc1)N1CCC(c2cc[nH]n2)CC1 220243333 XZDLEZKRAHYTKY-UHFFFAOYSA-N 347.459 3.578 0 50 EHAA Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@H]2CCCNC2)s1 178037727 OLBBGIJDRYXFHV-ZDUSSCGKSA-N 349.887 3.634 0 50 EHAA CN(Cc1noc(C2CCC2)n1)C(=O)c1cc2c(s1)CCCC2 91819753 BFRKFZNQOFWSNI-UHFFFAOYSA-N 331.441 3.550 0 50 EHAA CCCc1nnc(N2CCC(N(CC)Cc3ccccc3)CC2)o1 95381049 RPPXJAYJLJKEPY-UHFFFAOYSA-N 328.460 3.513 0 50 EHAA O=C(NCCC1(O)CCCC1)N(Cc1ccc2[nH]ccc2c1)C1CC1 534634190 HSTABGLQAZJUAX-UHFFFAOYSA-N 341.455 3.537 0 50 EHAA COc1ccccc1[C@H]1CN(Cc2cc[nH]n2)Cc2ccccc2O1 299787811 QSTZHMHWPSSVFV-HXUWFJFHSA-N 335.407 3.554 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)c2cn3c(C)cccc3n2)c(C)c1 822535006 OLHSCWBLAONNHE-UHFFFAOYSA-N 336.395 3.552 0 50 EHAA O=C(CC1CCCC1)Nc1ccc(NC(=O)CN2CCCCC2)cc1 828052128 CZLODUYUDUNCDT-UHFFFAOYSA-N 343.471 3.630 0 50 EHAA Cc1c(-c2cc(CNc3c(F)cc(Cl)cc3F)on2)cnn1C 185133820 CIMJAKYYLPCUEB-UHFFFAOYSA-N 338.745 3.927 0 50 EHAA CC(C)(C)Oc1cccc(CN2CCCC[C@@H]([C@@H]3CCOC3)C2)n1 1460919759 BSUCZPGMVOFDBI-IAGOWNOFSA-N 332.488 3.898 0 50 EHAA CC(C)[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@@H]1N(C)C 1565506641 DZSZJAIZKJDCLW-MSOLQXFVSA-N 346.906 3.748 0 50 EHAA CC(C)(CCC(=O)NC[C@@H]1CC=CCC1)C(=O)NC[C@@H]1CC=CCC1 170653210 SOSPZTASMHMZIS-QZTJIDSGSA-N 346.515 3.738 0 50 EHAA O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC[C@@H]2C[C@H]21 672134574 HLTQHJXKOGATRN-SJLPKXTDSA-N 335.451 3.901 0 50 EHAA CC[C@@H](C)N(Cc1ccsc1)C(=O)c1cc(C(C)(C)C)nc(O)n1 1506416155 ISTWYQDAUKNBTD-GFCCVEGCSA-N 347.484 3.982 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H]2C(=N)O)cc(Cl)c1Br 330033277 YOMLDNTZMWXEJH-JTQLQIEISA-N 345.624 3.551 0 50 EHAA CCOc1ccccc1NC(=O)N1CCC2(C=C(C)CCO2)CC1 1704360464 ZZRYYEKZMAKOMY-UHFFFAOYSA-N 330.428 3.818 0 50 EHAA CCCOc1ccc(C(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)cc1 1704339062 CJWNVYJPMWHVOS-UYAOXDASSA-N 331.456 3.897 0 50 EHAA Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCSCC1 12390065 SOLPYEQZKFVNAD-UHFFFAOYSA-N 338.885 3.961 0 50 EHAA CN(C)c1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1 1167 SRLPZQAEBMZCIJ-UHFFFAOYSA-N 335.766 3.507 0 50 EHAA in-man N[C@H]1CC[C@@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)C1 247711312 JRHWJFBNZUYLQS-NQIIRXRSSA-N 348.490 3.723 0 50 EHAA C[C@H](C1CC1)n1cc(NC(=O)NCc2nc3c(s2)CCCC3)cn1 930975047 FARDVHHVRDAPSN-LLVKDONJSA-N 345.472 3.511 0 50 EHAA CCCN(C(=O)Cn1nc(C)c2cccnc21)[C@H]1CCc2ccccc21 931034361 ZIBMSEPQVGKERQ-IBGZPJMESA-N 348.450 3.666 0 50 EHAA CC1(C)[C@]2(C(=O)Nc3ccc4cc(O)ccc4c3)CC[C@@]1(C)C(=O)O2 1875296121 ZWYGMJCYSMAKPL-VQTJNVASSA-N 339.391 3.606 0 50 EHAA CCC(=O)N[C@@H](C(=O)N1CC[C@H](CC2CCCC2)C1)c1ccccc1 1875265162 WAQSTLMIIQRXGC-YLJYHZDGSA-N 342.483 3.683 0 50 EHAA Cc1cc2c(NC3CC4(CCC(C(=O)O)CC4)C3)ncnc2s1 1875290070 PCDWESGGPSJBRG-UHFFFAOYSA-N 331.441 3.835 0 50 EHAA Cc1cc(O)nc(-c2cccc(NC(=O)[C@H](C)c3cccc(O)c3)c2)n1 1875338931 QQRIUZWFYJFSOY-CYBMUJFWSA-N 349.390 3.605 0 50 EHAA O=C(N[C@H]1CCOC12CCCC2)N1C[C@@H]2[C@@H](C[C@H]2c2ccccc2)C1 898750383 PUAZQEVVPHDBCZ-OKYOBFRVSA-N 340.467 3.533 0 50 EHAA Cc1cccc(C(=O)N2N=C3CCCCC[C@H]3[C@]2(O)C(F)(F)F)c1 79277 MXYFQCPBKRXFOP-CJNGLKHVSA-N 340.345 3.638 0 50 EHAA CN(C(=O)c1ncoc1[C@H]1CCCCN1)c1ccc2ccccc2c1 2325800701 BWVVXKLOMVTXSI-QGZVFWFLSA-N 335.407 3.919 0 50 EHAA Cn1cc(-c2ccc3nc(C(F)F)nc(O)c3c2)c2ccncc21 2325862653 BLFNFKXVZHNANN-UHFFFAOYSA-N 326.306 3.827 0 50 EHAA CCC(CC)N1CCN=C1NCc1ccc2cc(OC)ccc2c1 2325863311 DCSKQKWANOTLDB-UHFFFAOYSA-N 325.456 3.798 0 50 EHAA O=C(CSc1cccc2cccnc12)OCC(=O)c1ccccc1 272489 WQUDGLWZETZHQW-UHFFFAOYSA-N 337.400 3.753 0 50 EHAA COc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(C)n2)cc1 351437 YAFLCGYSUXZWBJ-UHFFFAOYSA-N 343.386 3.765 0 50 EHAA O=C(CSCc1ccccc1Br)Nc1cccnc1 454287 HBYMMBMXAHAUDU-UHFFFAOYSA-N 337.242 3.716 0 50 EHAA COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1Cl 460363 NOZFRZSLKUVMOD-UHFFFAOYSA-N 329.739 3.707 0 50 EHAA O=C(COc1ccc(F)cc1)N(c1ccccn1)C1CCCCC1 617583 QEJJISYQSGICRK-UHFFFAOYSA-N 328.387 3.965 0 50 EHAA C[C@H](Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O 6850628 VPVMZMQLIYHSQH-NSHDSACASA-N 333.347 3.928 0 50 EHAA O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1nnc(-c2cccs2)s1 55403148 INZXNWGDAZHXEZ-GRYCIOLGSA-N 346.481 3.990 0 50 EHAA Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)c1ccncc1F 55073359 ITPILMCWKMRQFL-UHFFFAOYSA-N 344.777 3.680 0 50 EHAA CC(C)c1noc(CCNC(=O)CCCc2ccc(Cl)cc2)n1 68162053 SLNIJQVWMKWYCT-UHFFFAOYSA-N 335.835 3.528 0 50 EHAA c1ccc(COc2ccc(OCCCCN3CCOCC3)cc2)cc1 20118397 JSIREWSOZXRSQR-UHFFFAOYSA-N 341.451 3.757 0 50 EHAA CCc1c(-c2ccccc2)ncn1[C@H](CO)COCc1ccccc1 65375455 ALBCHFREEXIWEA-LJQANCHMSA-N 336.435 3.863 0 50 EHAA Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2F)c1C 20398121 DZKCJFQZVHQEEN-SFHVURJKSA-N 340.398 3.686 0 50 EHAA O=C1C[C@H](c2cc3ccccc3o2)c2cnn(Cc3cccnc3)c2N1 65371150 NDIHBRJSVFTCPE-HNNXBMFYSA-N 344.374 3.547 0 50 EHAA C/C(=C\c1ccccc1)[C@@H]1CC(=O)NCc2nc3cc(C)ccn3c21 65425403 MLNGEZSWYDZVPX-JMPLCFMRSA-N 331.419 3.850 0 50 EHAA O=C1CC[C@@H]2CN(Cc3ccoc3)CC[C@@H]2N1CC1CCCCC1 12217999 QLPDDVFSKVOYNC-MOPGFXCFSA-N 330.472 3.673 0 50 EHAA Cc1ccc2nc([C@H]3CCCN3C(=O)CCc3cccnc3)[nH]c2c1 77538452 JCLPCFJSZFNPJQ-GOSISDBHSA-N 334.423 3.563 0 50 EHAA O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1cc(C2CC2)on1 71751915 FNVIFXNZJWFKPA-UHFFFAOYSA-N 335.407 3.842 0 50 EHAA O=C(O)c1ccccc1[C@H]1CCN(Cc2ccnn2-c2ccccc2)C1 72140278 UBVPUZURBYCAKA-INIZCTEOSA-N 347.418 3.560 0 50 EHAA O=C(C1CCN(Cc2ccc3c(c2)CCC3)CC1)N1CCCCCC1 172285736 JGRMOZSSPZNJMR-UHFFFAOYSA-N 340.511 3.790 0 50 EHAA CC(C)c1nc(CN(C)Cc2cnc(-c3ccco3)nc2)cs1 77406985 MGSGFLAZFZWQEV-UHFFFAOYSA-N 328.441 3.949 0 50 EHAA CCCc1cc(CNc2nc(C3CCCC3)nc3c2cnn3C)on1 72163709 IPEYFRRFEOMCJU-UHFFFAOYSA-N 340.431 3.574 0 50 EHAA CCN(CC)C(=O)[C@@H](C)C1(O)c2ccccc2Oc2ccccc21 71770078 XCQNUDKXHGEEHU-CQSZACIVSA-N 325.408 3.533 0 50 EHAA CC(C)n1c([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cccnc2)nc2ccccc21 241965730 UVEAGOGSNYFJTN-HYVNUMGLSA-N 348.450 3.993 0 50 EHAA COc1ncccc1N(C)C(=O)c1ccc(-c2ccccc2F)o1 132879309 LLKIGSUCFHOSRI-UHFFFAOYSA-N 326.327 3.766 0 50 EHAA CCCn1ccc2ccc(NC(=O)[C@@H]3CCCN(C(=O)CC)C3)cc21 175268593 XFBMEZKPJSLZKG-MRXNPFEDSA-N 341.455 3.638 0 50 EHAA O=C(O)[C@@H]1CN([C@@H]2CCc3c(Cl)cccc32)C[C@H]1C(F)(F)F 263575103 OKUKFCYGXDMBED-NQBHXWOUSA-N 333.737 3.522 0 50 EHAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1cc(F)ccc1Cl 82133546 GEQARCGBYHNASV-UHFFFAOYSA-N 345.761 3.801 0 50 EHAA Cn1cc(-c2cc(C(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cn1 20602790 JOMREIDALVPRIC-UHFFFAOYSA-N 343.312 3.898 0 50 EHAA O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[C@H](Cc2ccccc2)C1 91594535 RKDUNGINVVDEBK-MRXNPFEDSA-N 349.409 3.921 0 50 EHAA Cc1nc(C(=O)Nc2c(F)cccc2F)nn1-c1cccc(Cl)c1 252495748 OYXWMZJKOWFTPV-UHFFFAOYSA-N 348.740 3.760 0 50 EHAA CC(C)CCn1cc(COc2ncc(C(F)(F)F)cc2Cl)nn1 261494993 BLWDXKMWXYKKIE-UHFFFAOYSA-N 348.756 3.970 0 50 EHAA Cc1cc(Cl)cc(C)c1NC(=O)N(C)CCCc1nccn1C 299783291 YHVPKXZANULTTN-UHFFFAOYSA-N 334.851 3.787 0 50 EHAA Cc1ccc(C(=O)NC(C)C)cc1NC(=O)c1cc(F)cc(F)c1 821810273 YIFLMYPEEGTXRZ-UHFFFAOYSA-N 332.350 3.664 0 50 EHAA CCN(Cc1ccc(C(=O)Nc2ccccc2CN)cc1)C(C)C 1343109567 NNBPMNWVCBMWBB-UHFFFAOYSA-N 325.456 3.628 0 50 EHAA CCCCSCc1cc(C(=O)N(C)Cc2c[nH]nc2C)oc1C 952968198 AZSYBRDQTXXVGT-UHFFFAOYSA-N 335.473 3.925 0 50 EHAA CSc1c(F)cccc1C(=O)Nc1ccccc1C(=O)NC(C)C 408515502 BRYGPMVAJNAKIQ-UHFFFAOYSA-N 346.427 3.938 0 50 EHAA Clc1cccc(NCc2ncc(C3CC3)o2)c1N1CCOCC1 270499190 UBTUCEFTIBULFA-UHFFFAOYSA-N 333.819 3.654 0 50 EHAA CC(C)(C)OC(=O)Nc1ccccc1C(=O)OC[C@]1(C)CCCO1 170609490 OKRFTIBIALCCEN-SFHVURJKSA-N 335.400 3.760 0 50 EHAA Cc1cc(C)nc(NCc2nc3cc(C(F)(F)F)ccc3n2C)n1 1158169882 RYSKKIVIBACYJQ-UHFFFAOYSA-N 335.333 3.611 0 50 EHAA Clc1cccc(N2CC[C@H](CNC3CSCCSC3)C2)c1 1506410861 YFHNJFCOHYQKQJ-CYBMUJFWSA-N 342.961 3.605 0 50 EHAA Cc1ccc(N[C@H]2CCCN(C(=O)CCc3ccncc3)C2)cc1C 11822183 BBIBEOMLIRDUCC-FQEVSTJZSA-N 337.467 3.734 0 50 EHAA COc1ccc(/C=C/C(=O)N2C(=O)OC[C@@H]2c2ccccc2)c(C)c1 6266434 GYRCECKDAVJUMY-SXAWMYDMSA-N 337.375 3.737 0 50 EHAA c1nc2ccc(-c3nc(-c4ccc(N5CCCCC5)nc4)no3)cc2[nH]1 901922656 BJDFYOKOAQUPSM-UHFFFAOYSA-N 346.394 3.665 0 50 EHAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CC3CC3)C3CCCCC3)n[nH]c21 1875290473 JXTSQEYEOFNBEG-OLZOCXBDSA-N 331.460 3.617 0 50 EHAA C[C@@H]1CCN(C(=O)[C@H](CN)c2ccccc2Cl)[C@@H]1c1ccccc1 1875316587 BMHWBGQQVAOHKN-BJZITVGISA-N 342.870 3.992 0 50 EHAA CC(C)Cc1n[nH]c2ccc(C(=O)N3CCC[C@@H]3c3ccon3)cc12 1875406066 WDUUHNSKPHAURJ-GOSISDBHSA-N 338.411 3.727 0 50 EHAA Cc1cc([C@@H]2CCCN(C(=O)c3c(O)ccc4ccccc34)C2)n[nH]1 1775987807 OSXLKPMMRYHZPT-OAHLLOKOSA-N 335.407 3.597 0 50 EHAA FC(F)(Br)c1nc2cccc(Br)c2[nH]1 1775956426 ZZURSWGFGGYQCC-UHFFFAOYSA-N 325.938 3.770 0 50 EHAA Cc1nnc(Cc2ccc(-c3c(F)ccc4c3CN[C@@H](C)C4)cc2)o1 2325777906 NFXNDJSEPCWDOY-LBPRGKRZSA-N 337.398 3.809 0 50 EHAA O=C(NC1CCC(c2ccc(F)cc2)CC1)c1cccc2cncn12 2325855690 LBSICVHNUVBQMX-UHFFFAOYSA-N 337.398 3.930 0 50 EHAA COC(=O)c1[nH]c(C)cc1NC(=O)c1ccc(Cl)c(Cl)c1 109723808 WUBGIYIDSCBIMN-UHFFFAOYSA-N 327.167 3.669 0 50 EHAA O=C(NC(NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 190145 VFIJOUHBZUMVCW-UHFFFAOYSA-N 330.387 3.545 0 50 EHAA aggregator CNC(=O)c1ccc(OC)cc1[C@H](C(=O)C(C)(C)C)c1ccccc1 399022 WBEIIZBUVZLXDF-GOSISDBHSA-N 339.435 3.802 0 50 EHAA CC(C)=C(NC(=O)c1ccccc1)C(=O)NCc1ccccc1Cl 3141090 DVYBNMMCSLMDOA-UHFFFAOYSA-N 342.826 3.680 0 50 EHAA COc1cc(Cl)c(C)cc1NC(=O)c1cccc(OC(C)=O)c1 4869879 NUNODWALTZHXPB-UHFFFAOYSA-N 333.771 3.835 0 50 EHAA CC[C@H](C)c1ccc(O)c(NC(=O)c2cccc(-n3cnnc3)c2)c1 6702237 KDINRFIMGCBWNI-ZDUSSCGKSA-N 336.395 3.739 0 50 EHAA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCOCC5)(C4)C2)C3)cc1 100482488 CJVRMJIOBJQEAV-NFAVZRQZSA-N 339.479 3.692 0 50 EHAA CC(C)(CCCc1ccccc1)C(=O)NS(=O)(=O)c1ccccc1 112758361 SGHWONWETOHIHS-UHFFFAOYSA-N 345.464 3.541 0 50 EHAA COc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1OC 55544019 QHKJYDDEDHQEOY-UHFFFAOYSA-N 346.858 3.679 0 50 EHAA Cn1nc(C(C)(C)C)c2[nH]c(-c3ccc(-c4csnn4)cc3)nc21 20601180 JDMADPHHMPMVIB-UHFFFAOYSA-N 338.440 3.779 0 50 EHAA Cc1noc2nc3c(c(-c4nc(CCc5ccccc5)n[nH]4)c12)CCC3 67851841 KNWIKIPIYIVSHU-UHFFFAOYSA-N 345.406 3.590 0 50 EHAA CN(C)c1ccc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 65494485 FEODVWQKWMRBEO-MRXNPFEDSA-N 332.407 3.617 0 50 EHAA Cc1c(C(=O)N2CCC[C@@H]2C2CCCC2)nnn1CC1CCCC1 252508612 XPWHRUVPEOYUDX-QGZVFWFLSA-N 330.476 3.572 0 50 EHAA CCOC(=O)CNC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 35561715 IDURDYKPYMCVSG-OAHLLOKOSA-N 338.835 3.530 0 50 EHAA Cc1ncsc1C(=O)Nc1cnn(-c2cccc(Cl)c2)c1C 152037712 IKGNNBZKHQJFHM-UHFFFAOYSA-N 332.816 3.851 0 50 EHAA CC(C)(N)C(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 71738825 FORXSTDSYMDPJJ-AWEZNQCLSA-N 342.405 3.614 0 50 EHAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3ncc(F)cc3F)C2)cc1 77427702 SHFCMSWXUPFVCY-CQSZACIVSA-N 346.377 3.599 0 50 EHAA CCCCc1oc2ccccc2c1CN1CCC(CC(N)=O)CC1 159739995 WHRUPAGBOXZYMV-UHFFFAOYSA-N 328.456 3.863 0 50 EHAA CN(C(=O)c1cc(-c2ccc(O)cc2)n[nH]1)[C@@H]1CCCc2ccccc21 77436955 BUJHXNJTYCNOIJ-HXUWFJFHSA-N 347.418 3.932 0 50 EHAA Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H]2C[C@H]2c2cnn(C)c2)c1 241965582 UUAPTGIMRLBYNV-UFYCRDLUSA-N 337.467 3.976 0 50 EHAA Cc1ccccc1SC1CCN(C(=O)C[C@H](C)n2ccnc2)CC1 82157765 WJVOTXDZEXTWCU-INIZCTEOSA-N 343.496 3.926 0 50 EHAA Cc1cc(C(=O)N(C)CCC[C@@H]2CCCO2)c2ccc(F)cc2n1 82092026 YBNBOFICSZUDIT-OAHLLOKOSA-N 330.403 3.714 0 50 EHAA Cc1cccc(OC[C@@H]2CCCN(C(=O)Nc3cccnc3)C2)c1 97730127 OISWPEWJVIKVOV-MRXNPFEDSA-N 325.412 3.713 0 50 EHAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cccc2c1ccn2C 95378892 JQQTTYYOLWYSND-QGZVFWFLSA-N 347.462 3.777 0 50 EHAA CC[C@](C)(OC)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1Cl 294373699 OTFKGSRRTCMIBJ-SDBXPKJASA-N 338.757 3.746 0 50 EHAA CCOc1ccc(CN(C)[C@@H](COC)c2ccccn2)cc1Cl 952974113 LBTSNUUCBFJRNU-KRWDZBQOSA-N 334.847 3.953 0 50 EHAA Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@H](C)N1CCCC1 952982973 RXTUXLAYGBZPJB-HNNXBMFYSA-N 343.471 3.547 0 50 EHAA Cc1nnc(CN2CCSC[C@H]2c2cccc(C(F)(F)F)c2)o1 186860432 UDMYDNLXZXRSRV-ZDUSSCGKSA-N 343.374 3.687 0 50 EHAA Cn1ccc(NCc2ccc(Br)cc2C(F)(F)F)n1 170593720 YETCZAOVNZHLCT-UHFFFAOYSA-N 334.139 3.814 0 50 EHAA CC(C)[C@@](C)(NC(=O)/C=C/c1cc(Cl)ccc1Cl)C(=O)O 170592095 VNJNJUOCJHQPPE-NFBGWVBBSA-N 330.211 3.622 0 50 EHAA COc1ccccc1NC(=O)c1cc(Br)ccc1OC 451076 JFXZEUZVOCUJRO-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA O=S(=O)(Nc1ccc(F)cc1F)c1ccccc1Br 7405068 CCXFPKFNVYRVHJ-UHFFFAOYSA-N 348.168 3.528 0 50 EHAA in-vitro CCc1nc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)ncc1C 1704300506 YBFPKKNMCGXMLV-OXQOHEQNSA-N 348.450 3.565 0 50 EHAA Cc1cc(N[C@H]2CCCCNC2=O)c2ccc(C(F)(F)F)cc2n1 1704350462 JVXYUKVDWIJHIM-ZDUSSCGKSA-N 337.345 3.643 0 50 EHAA CCn1cc(CN2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)c(C)n1 12430717 DUILLNOYQXWXND-AWEZNQCLSA-N 347.409 3.585 0 50 EHAA COc1ccc(C(=O)N[C@H](C)c2cnn(-c3ccccc3C)c2C)cc1 12710601 NRRMZMBSNBWFNV-OAHLLOKOSA-N 349.434 3.989 0 50 EHAA C/C=C/c1ccc(OCCCSc2nc(C)cc(=O)[nH]2)c(OC)c1 14084393 FQYMFCZDVFUSOS-GQCTYLIASA-N 346.452 3.681 0 50 EHAA CC[C@@]12COC(=O)N1CCN(Cc1ccc(C3CCCC3)s1)C2 1857675223 OLCMPTVUVQXUMJ-GOSISDBHSA-N 334.485 3.822 0 50 EHAA C[C@@H](C1CCCCC1)N(C)C(=O)NCCc1cnc(C2CC2)nc1 252505423 VRJUEWJKUJRURO-AWEZNQCLSA-N 330.476 3.507 0 50 EHAA CCc1cccnc1[C@H](C)N[C@H]1C[C@]2(CCNC2)Oc2ccccc21 902504484 WRLMNSNUHHIEEP-XERREHJYSA-N 337.467 3.551 0 50 EHAA O=C(CN1CCCCC1)Nc1ccc(Br)c(Cl)c1 9096025 LDSDRLUAPIBGEO-UHFFFAOYSA-N 331.641 3.527 0 50 EHAA Cc1ncsc1-c1nc(-c2ccc(N3CCCOC3=O)cc2)no1 864097561 ZDQPAOVJWHOYBR-UHFFFAOYSA-N 342.380 3.515 0 50 EHAA Cc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1coc(C2CCC2)n1 1875268292 IUVBBNIOJCDANS-UHFFFAOYSA-N 337.379 3.653 0 50 EHAA O=C(c1[nH]c2ccccc2c1C1CC1)N1CC[C@H](C2CCOCC2)C1 1875310090 CQSZTPBHNBNTBH-INIZCTEOSA-N 338.451 3.934 0 50 EHAA C[C@H](c1ccccn1)c1nc(-c2ccc3nc(Cl)cn3c2)no1 1875344539 HRTXQMVVRBVPMK-SNVBAGLBSA-N 325.759 3.585 0 50 EHAA CCC[C@H](C)[C@@H](C)NC(=O)c1nn(C(C)(C)C)cc1Br 1875307088 JXMHDQDKYZETIG-WDEREUQCSA-N 344.297 3.955 0 50 EHAA CC1(C)CN(C(=O)C2CC2)[C@H]1c1nccn1COCC[Si](C)(C)C 1304112312 FPQYHWUVYYVKDE-HNNXBMFYSA-N 349.551 3.515 0 50 EHAA CCc1cc2c(N3CCC[C@H]3c3nc(C)c(C)[nH]3)ncnc2s1 895192592 ISNBIQBAMOXCJQ-AWEZNQCLSA-N 327.457 3.935 0 50 EHAA Brc1cnc2cnn(C3CC(Oc4ccccc4)C3)c2c1 2325772390 MLKPGVDMKGZNRH-UHFFFAOYSA-N 344.212 3.976 0 50 EHAA Cc1nc2c(F)cccc2cc1C(=O)Nc1cccc2c1CNCC2 2325855676 KUWALOCKEWBSPV-UHFFFAOYSA-N 335.382 3.580 0 50 EHAA CCC(=O)Oc1cc2c(C(=O)OC)c(C)oc2cc1Br 86257 CMHMPCHOKDRHKB-UHFFFAOYSA-N 341.157 3.606 0 50 EHAA biogenic CCOc1ccc(/C=C/C(=O)N(C)Cc2ccccc2)cc1OC 119869 HZKOTLPSEJQGAF-ACCUITESSA-N 325.408 3.766 0 50 EHAA CC(=O)N1c2ccccc2N(Cc2ccc(C)cc2C)C(=O)C1(C)C 238027 OQNJRUDOTHBYRL-UHFFFAOYSA-N 336.435 3.982 0 50 EHAA CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 259667 WAFQZGRIXFBICZ-UHFFFAOYSA-N 341.407 3.773 0 50 EHAA CSc1ccc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)c1 291503 MMEYJOIXPGPPBY-UHFFFAOYSA-N 335.812 3.721 0 50 EHAA Cc1cc(C)nc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 463717 SNMDZHAFCZXHFY-SNVBAGLBSA-N 340.210 3.806 0 50 EHAA Cc1ccnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 621641 LTVPFYXBFHNKMC-UHFFFAOYSA-N 328.224 3.823 0 50 EHAA C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(N)=O 1069071 QCDKGDPSNWBWDY-SNVBAGLBSA-N 334.828 3.558 0 50 EHAA FC(F)(F)c1cccc(NC(=S)NCCc2ccccn2)c1 2813487 SIVCCINPPNYVHP-UHFFFAOYSA-N 325.359 3.630 0 50 EHAA Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3cccc(Cl)c3)cc2c1 8572443 NLPZIQGDYKHRSG-UHFFFAOYSA-N 340.810 3.762 0 50 EHAA C[C@]12CC[C@@H]3c4ccc(OC[C@@H]5CO5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 34148428 RBGCCCXOAAJQHS-ZLCDOHIZSA-N 328.452 3.681 0 50 EHAA Cc1ccc(NC(=O)c2cc3c([nH]c2=O)CC[C@@H](C)C3)c(Cl)c1 67631233 VNHKWXVYABAILM-SNVBAGLBSA-N 330.815 3.714 0 50 EHAA COC[C@@H](c1ccccn1)N(C)C(=O)c1cccc(Cl)c1Cl 67773739 RMASIMVGQPSASY-AWEZNQCLSA-N 339.222 3.848 0 50 EHAA COCCN1CCC[C@@]2(CCN(Cc3ccc4ccccc4c3)C2)C1 67856768 QZBYYIIIWBGNDT-JOCHJYFZSA-N 338.495 3.774 0 50 EHAA CCCn1nccc1C(=O)N1CCC[C@@H](CCc2ccccc2F)C1 71405582 GDSBLLUWMDZRON-INIZCTEOSA-N 343.446 3.917 0 50 EHAA Cc1nc(C(C)C)ncc1C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 71416290 FGRDJJJLXYIWHU-UHFFFAOYSA-N 336.439 3.937 0 50 EHAA CC1(C)C[C@@H]2C[C@@](C)(CN2c2nc(-c3ccncc3)nc3c2CNC3)C1 72153339 XYQTVKKKOKTWKF-QVKFZJNVSA-N 349.482 3.547 0 50 EHAA Cc1cc(N[C@H](Cn2ccnc2)c2ccccc2)n2nc(C)c(C)c2n1 72439453 UOQLSLSXPJIIIO-GOSISDBHSA-N 346.438 3.704 0 50 EHAA CN(Cc1ccc(Oc2ccccc2)cc1)c1nc(C(N)=O)cs1 77354715 LMXSQTZMOOGCJB-UHFFFAOYSA-N 339.420 3.671 0 50 EHAA CCn1cc(CN(C)C(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)cn1 92107515 AKJNJSBRHHNTAE-UHFFFAOYSA-N 338.455 3.511 0 50 EHAA Cc1sc2ncnc(N[C@@H](C)c3cn4ncsc4n3)c2c1C 95364659 ZOPOHZTXPVJSCH-QMMMGPOBSA-N 330.442 3.585 0 50 EHAA Cc1ccccc1-c1cccc(CN2C[C@@H]3CCC[C@H](C2)C(=O)N3)c1 97604310 CVGJPIGIKARCJE-UXHICEINSA-N 334.463 3.763 0 50 EHAA O=C(Nc1cccc(OCCF)c1)N1CCC[C@@H]1c1ccncc1 123244365 QHZDKWSMKTYNSY-QGZVFWFLSA-N 329.375 3.799 0 50 EHAA Cc1cc(C)c2nc(C3CC3)cc(C(=O)NCC3CCOCC3)c2c1 177011424 QUWRUERUEQNGDD-UHFFFAOYSA-N 338.451 3.885 0 50 EHAA C[C@@]1(c2ccccc2)CC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O 179201031 BBSYSHOUJLLMFG-NRFANRHFSA-N 346.386 3.558 0 50 EHAA O=C(Nc1nc(-c2ccccc2F)cs1)C1CCN(C2CC2)CC1 195373884 MSEAKHCZMTWRSB-UHFFFAOYSA-N 345.443 3.762 0 50 EHAA CCc1nnc(CN(C)C(=O)c2ccccc2-c2cccc(C)c2)o1 218899490 AHYMUCBQFDZOAQ-UHFFFAOYSA-N 335.407 3.880 0 50 EHAA CCOC(=O)c1csc([C@H]2CCCN2C(=O)C[C@H]2C=CCCC2)n1 225392795 OCNYWAUSJZLYOR-DZGCQCFKSA-N 348.468 3.730 0 50 EHAA Nc1c(-c2ccc3c(c2)OCO3)cnn1C(=O)CCCC1CCCC1 242305040 YUGDUAYQFFLYTQ-UHFFFAOYSA-N 341.411 3.862 0 50 EHAA CCc1cccc(C)c1NC(=O)CCN(C)CC[C@H]1CCCCO1 244884036 YDYOSWMUXLSKKZ-GOSISDBHSA-N 332.488 3.777 0 50 EHAA CCOc1ccc([C@H](C)NC(=O)Nc2ccnn2C(C)C)cc1F 299786431 LNRCJFRFXRBPSI-LBPRGKRZSA-N 334.395 3.885 0 50 EHAA COc1ccc2c(c1)C[C@@H](C)N(C(=O)Cc1c[nH]c3ncccc13)[C@@H]2C 329280327 DPFKUFWYNVCBLX-ZIAGYGMSSA-N 349.434 3.648 0 50 EHAA CC(C)(C1=CCCCC1)c1noc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1 333180744 MOSNKQDRIRCUQL-CYBMUJFWSA-N 331.460 3.962 0 50 EHAA Cc1cc2cc(CNC(=O)N(C)CCC[C@@H]3CCCO3)ccc2[nH]1 426518815 PIFQCMPNRRZHOH-QGZVFWFLSA-N 329.444 3.577 0 50 EHAA Cn1cc(-c2ccc(OCc3ccccc3)c(F)c2)c(C(=O)O)n1 534583362 HWJWXUIHTXSMSX-UHFFFAOYSA-N 326.327 3.503 0 50 EHAA Cc1cc(N2CCC[C@@H]2c2ccc(Cl)cc2)n2nc(C)nc2n1 881793713 VJVUVOPZTAXIFC-OAHLLOKOSA-N 327.819 3.736 0 50 EHAA O=C(c1cnc(O)c(C(F)(F)F)c1)N1CCCC[C@H]1c1ccco1 932983173 XIBJLKFQNVIVTO-LBPRGKRZSA-N 340.301 3.766 0 50 EHAA Cn1ccc2cc(CN[C@H]3CCCN(Cc4cccc(O)c4)C3)ccc21 952967463 BLLNTMPIVJAKAG-FQEVSTJZSA-N 349.478 3.638 0 50 EHAA Cc1nccn1[C@H](C)CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 1506418754 UMMBYKNHKHWFNL-GFCCVEGCSA-N 339.361 3.820 0 50 EHAA O=C(CCCC1CCCCC1)N[C@H]1COC[C@@H]1Cc1ccncc1 1613882077 ZAQIVUWVPXSKOK-OALUTQOASA-N 330.472 3.506 0 50 EHAA COc1nc(N[C@@H]2CC3(CCCC3)Oc3ccccc32)ncc1F 1772712578 UWHSWIYSVOKJCQ-CQSZACIVSA-N 329.375 3.873 0 50 EHAA Cn1cc(CCn2ccnc2-c2ccc(-c3cccnc3)cc2)cn1 1857728791 DIOYIFKFOXAICO-UHFFFAOYSA-N 329.407 3.588 0 50 EHAA Cc1ccc(-n2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)cn2)cc1 1875259462 ARDLZHMWEQBIDC-UHFFFAOYSA-N 341.436 3.598 0 50 EHAA COc1ccc(NS(=O)(=O)c2cc(C(C)C)c(C)cc2OC)cc1 1875322994 QZIWPPNLGARTIQ-UHFFFAOYSA-N 349.452 3.936 0 50 EHAA CCCN1CCC[C@]2(CCCN2C(=O)Nc2cc(C)cc(C)c2)C1=O 2356137359 WPBGKTNCEOVTRT-FQEVSTJZSA-N 343.471 3.702 0 50 EHAA O=C(C[C@@H]1Nc2cccc3cccc(c23)NC1=O)Nc1ccccc1 82190 BHTGFUWVWVMWPV-KRWDZBQOSA-N 331.375 3.601 0 50 EHAA Cc1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 465833 GNLAPWMSBDFCIV-UHFFFAOYSA-N 327.405 3.734 0 50 EHAA COc1ccc(C(C)C)cc1S(=O)(=O)N1CCc2ccccc2C1 618639 DDJRUVYUBMSQEE-UHFFFAOYSA-N 345.464 3.566 0 50 EHAA Cc1cc(OCC(=O)NC2CCCC2)c(C)cc1Br 1064457 WCSTWAOLLAYYOJ-UHFFFAOYSA-N 326.234 3.504 0 50 EHAA CC(=O)Nc1nnc(CCCOc2ccc(Cl)cc2Cl)s1 2381107 ZDGNGWGSIXXWQG-UHFFFAOYSA-N 346.239 3.815 0 50 EHAA Cn1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 4385014 GMIQJTVOQDDIIM-LBPRGKRZSA-N 325.799 3.747 0 50 EHAA O=C(Nc1nnc(C(F)(F)F)s1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 374409 RCWXNQPZQYFGJJ-BDAKNGLRSA-N 347.749 3.953 0 50 EHAA c1ccc(-c2nc3c4ccccc4ccn3c2CN2CCOCC2)cc1 20058831 BCRUAFXSGYZNBE-UHFFFAOYSA-N 343.430 3.987 0 50 EHAA C[C@@H](C(=O)NCc1coc(-c2ccccc2)n1)n1cnc2ccccc21 172694586 RAIRACGJQLLZOR-AWEZNQCLSA-N 346.390 3.569 0 50 EHAA CN(Cc1nc(CC2CC2)no1)CC1(N2CCCCC2)CCCCC1 22925980 UVLAHFDOBOEHBH-UHFFFAOYSA-N 346.519 3.643 0 50 EHAA CCN(Cc1noc(C)n1)C(=O)c1c(C)c(C)nc2ccc(C)cc12 20916996 FUTIHVRFSPYIBW-UHFFFAOYSA-N 338.411 3.514 0 50 EHAA CC(C)C[C@@H](NC(=O)CCc1ccccc1)c1nnc2ccccn12 20726708 BAKGESHUWOYXOO-QGZVFWFLSA-N 336.439 3.566 0 50 EHAA CCc1ncc2c(n1)CN(C(=O)c1cc(C3CC3)nc3ccccc13)C2 67909282 AVZLXLAZMOSMPE-UHFFFAOYSA-N 344.418 3.621 0 50 EHAA Cc1cc(CN2CCCC2)cc(-c2cc(C)cc3c2O[C@@H](CN)C3)c1 67920676 XILILCWNBXJWPR-HXUWFJFHSA-N 336.479 3.828 0 50 EHAA CCN(Cc1cccs1)C(=O)Nc1cc(-c2ccco2)nn1C 252483413 FAZRAUSYWTZAFS-UHFFFAOYSA-N 330.413 3.796 0 50 EHAA Cc1cnn(C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C2CC2)c1 2775093 BGKXQXLJPQVVAG-MRVPVSSYSA-N 346.740 3.839 0 50 EHAA CC(=O)Nc1cccc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 229351981 OPNIRPSCAOHBSL-LEWJYISDSA-N 338.451 3.733 0 50 EHAA CC(=O)N1N=C(c2ccncc2)O[C@@]1(C)C12CC3CC(CC(C3)C1)C2 4753645 UBTFVOPLRPZHNQ-BTCBHJBXSA-N 339.439 3.555 0 50 EHAA COc1ccc(CN2CCC[C@H](COc3ccccc3F)C2)cc1O 72171364 ZGPAAKNIEPLRMI-INIZCTEOSA-N 345.414 3.831 0 50 EHAA CCn1cc(CN2CCC[C@@H](c3[nH]ncc3-c3ccc(C)cc3)C2)cn1 77322120 FZPMJHLMTOZMDC-LJQANCHMSA-N 349.482 3.981 0 50 EHAA Cc1nc(C)c([C@H](C)N(C)C(=O)c2cn(C)nc2C(C)(C)C)s1 331123098 BZOMFCWAAYOENG-NSHDSACASA-N 334.489 3.624 0 50 EHAA Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@@H]2c2ccc[nH]2)c1C 125785699 RXOJAGVGDGOZCZ-PKOBYXMFSA-N 328.456 3.517 0 50 EHAA C[C@H](C1CCN(Cc2cc(CN3CCCCC3)cs2)CC1)N(C)C 77300528 UVDHMQSCSUGYKM-QGZVFWFLSA-N 349.588 3.896 0 50 EHAA Cn1cc2c(n1)CCC[C@@H]2NC(=O)C(c1ccccc1)c1ccccc1 282576614 DGTXIWDXGAHYJL-IBGZPJMESA-N 345.446 3.746 0 50 EHAA C[C@H]1C[C@@H](C(=O)O)CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 263213957 ZNKCXEHNIBDWJN-WMLDXEAASA-N 338.407 3.928 0 50 EHAA CC[C@@H](NC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1)c1ccncc1 177556664 MQCRGZYFIKOWSI-HUUCEWRRSA-N 343.431 3.586 0 50 EHAA CCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccccc3)nc21 20603163 GMGNHYDQPLVWGC-UHFFFAOYSA-N 345.349 3.907 0 50 EHAA CSc1cccc(CN2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3=O)c1 91706438 UUACLURXLIVWDE-ZWKOTPCHSA-N 344.524 3.798 0 50 EHAA Cc1cnc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)cn1 92066188 RLHPRGHYUAWHHN-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA Cc1sccc1C(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 296215345 VWMWAGKRYATACM-UONOGXRCSA-N 347.440 3.658 0 50 EHAA C[C@@H](NC(=O)N(C)Cc1noc(C2CCCC2)n1)c1ccccc1 534673779 WFCBCVHLACOYEH-CYBMUJFWSA-N 328.416 3.630 0 50 EHAA Cc1cc(-c2cccc(C(=O)N(C)Cc3c(C)noc3C)c2)ccn1 299755011 BPJXNRASHBXXAW-UHFFFAOYSA-N 335.407 3.934 0 50 EHAA CCCc1cc(CNC(=O)Cc2csc(-c3ccccc3)n2)on1 823020300 RQZXGNRATYRZGQ-UHFFFAOYSA-N 341.436 3.610 0 50 EHAA CCCN(Cc1ccc(SC)cc1)C(=O)CCn1ccnc1CC 952985276 UPUBLAHUZCNVMG-UHFFFAOYSA-N 345.512 3.996 0 50 EHAA Fc1ccc2[nH]c3c(c2c1)CN(Cc1nnc(C2CC2)s1)CC3 408519598 BFCZIMBFJZPAPQ-UHFFFAOYSA-N 328.416 3.594 0 50 EHAA Cc1nc(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)sc1C 170640047 AFNKJBUNEYDBSD-UHFFFAOYSA-N 337.495 3.967 0 50 EHAA COc1ccc(/C=C/C(=O)N[C@@H](C)CCc2ccccc2)cc1OC 319492 HRMRAISLQHPIGQ-GRNBYLDVSA-N 339.435 3.855 0 50 EHAA biogenic CCOc1cc2oc(N)c(-c3nc(C)cs3)c(=O)c2cc1CC 11867287 ATVQPTXPJSECGI-UHFFFAOYSA-N 330.409 3.768 0 50 EHAA Cc1sc2ccccc2c1CN1CC[C@@]2(CCCN(C)C2=O)C1 11945818 NNSJCJBBEUGGDA-IBGZPJMESA-N 328.481 3.654 0 50 EHAA CC(C)CC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C 12382104 JUXAIDVDOVKWIM-UHFFFAOYSA-N 328.460 3.544 0 50 EHAA Cc1ccc(/N=c2/ncc3c([nH]2)C[C@H](c2ccccc2)CC3=O)cc1 18192911 LBKOSVJKXJYBCB-INIZCTEOSA-N 329.403 3.863 0 50 EHAA c1ccc2c(CN3CCN(Cc4c[nH]c5ccccc45)CC3)c[nH]c2c1 19909549 WSJVQTJWVHONKW-UHFFFAOYSA-N 344.462 3.967 0 50 EHAA in-vitro CC(C)c1ccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)cc1 19959438 GLHHMUYBRBFFPA-UHFFFAOYSA-N 334.423 3.504 0 50 EHAA O=C(c1ccc(-c2cccs2)cc1)N1CC[C@@H]2NCCC[C@@H]2C1 1857672086 JBMXHMREPKCIBE-SJORKVTESA-N 326.465 3.629 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)N2CCC(Cn3cccn3)CC2)cc1F 151508613 JWVMEDPTYHCWKO-OAHLLOKOSA-N 344.434 3.513 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(Cc2ccccc2)[nH]1 935123241 CXVMOWDVVVXBBZ-LJQANCHMSA-N 348.450 3.923 0 50 EHAA COc1ccc([C@H]2CCCN2c2nc3c(s2)COCC3)c(OC)c1 1875286179 JBJKOCVTNKUADX-OAHLLOKOSA-N 346.452 3.575 0 50 EHAA C[C@@H](NCCC(=O)O)c1nc(-c2ccc(F)c(Cl)c2)cs1 1775996582 QMBIOZIPIPUDFP-MRVPVSSYSA-N 328.796 3.728 0 50 EHAA COc1ccccc1OCCCn1c([C@@H](C)O)nc2ccccc21 1926790 NSFQKILORBKJOY-CQSZACIVSA-N 326.396 3.567 0 50 EHAA Cc1ccc(SCCNC(=O)/C=C/c2cnccc2C)cc1C 2325732296 HIBISOCQZXGMGW-FNORWQNLSA-N 326.465 3.929 0 50 EHAA C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccc(Cl)cc32)c2cnccc21 2325786600 FMCNVLIOJPRKSD-BXUZGUMPSA-N 328.799 3.751 0 50 EHAA C[C@@H](NCc1ccn2nccc2c1)c1ccc(N2CCCCC2=O)cc1 2325801362 DMAFCRHOKAUSKT-MRXNPFEDSA-N 348.450 3.702 0 50 EHAA Cc1ccc(-c2nn(C)cc2CNCc2ccc3c(c2)C[C@H](C)O3)o1 922702156 WEERBFLMBWTXSI-AWEZNQCLSA-N 337.423 3.602 0 50 EHAA CN(C)C(=O)c1cccc(CSc2nc3cc(Cl)cnc3[nH]2)c1 124859122 CLGWJEQWJXOUJW-UHFFFAOYSA-N 346.843 3.605 0 50 EHAA COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1 469933 ROIKMTUWAVFFOQ-UHFFFAOYSA-N 338.237 3.864 0 50 EHAA CCOC(=O)Cc1sc(NC(=O)c2ccc(Cl)s2)nc1C 474185 JJZBFSWFCOUJNQ-UHFFFAOYSA-N 344.845 3.524 0 50 EHAA CCOc1ccc([C@H](C)NC(=O)Nc2ccc(OC)cc2OC)cc1 610421 NLOSSVVPZGSELX-ZDUSSCGKSA-N 344.411 3.985 0 50 EHAA COc1cc(Cn2c(=O)sc3ccccc32)ccc1OC(C)C 814286 HZQYNQQWCFNTRH-UHFFFAOYSA-N 329.421 3.907 0 50 EHAA COc1ccc(CNC(=O)c2cc3c(s2)CCCC3)cc1OC 1054411 KVIBFUYWCFYWKS-UHFFFAOYSA-N 331.437 3.574 0 50 EHAA COc1ccccc1-n1cnc2cc(NC(=O)c3ccco3)ccc21 2434027 KNXNILLVHWQDLW-UHFFFAOYSA-N 333.347 3.879 0 50 EHAA CC[C@H](C)Cc1nc(-c2ccnn2C(C)C)n(C2CCN(C)CC2)n1 2356145309 KVEUUDXEMUDEKC-HNNXBMFYSA-N 344.507 3.578 0 50 EHAA Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@@H](c1ccco1)C2 2499401 MKRHOBOFCWCKMQ-LBPRGKRZSA-N 327.380 3.928 0 50 EHAA CCCCCOc1ccc(NC(=O)C(=O)NCc2cccs2)cc1 2855837 AVSMUNOJQWGGPS-UHFFFAOYSA-N 346.452 3.572 0 50 EHAA O[C@@H]1CN(Cc2cccc(OC(F)F)c2)CC[C@@H]1c1ccccc1 2356168104 PTFSJUXDIHIQMX-QZTJIDSGSA-N 333.378 3.638 0 50 EHAA COc1ccc([C@H]2S[C@H](C)C(=O)N2CCc2ccccc2)cc1 3098208 QZJQLPVMNWNFJI-AUUYWEPGSA-N 327.449 3.900 0 50 EHAA CS(=O)(=O)N(Cc1cccc(Cl)c1)c1ccccc1Cl 4840576 WQTRCSMJEDBIEH-UHFFFAOYSA-N 330.236 3.960 0 50 EHAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)[C@@H]1CCCO1 6726657 DEIWDAIYYOTZOT-HZMBPMFUSA-N 334.803 3.601 0 50 EHAA O=C(NCc1ccco1)c1cccc(NC(=O)c2cccs2)c1 7124083 ULZPUGCYDCHHAZ-UHFFFAOYSA-N 326.377 3.523 0 50 EHAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2CC(c3ccccc3F)=NO2)C1 102022644 XDQWWGRUNZXVQZ-WSXQUGQNSA-N 344.430 3.746 0 50 EHAA c1cn(CCCn2ccnc2-c2cnc(C3CCCCC3)nc2)cn1 67786834 QOOOKNHSTQBQBK-UHFFFAOYSA-N 336.443 3.675 0 50 EHAA COc1ccc(NC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 616598 PBQXOIXOGPVDGF-UHFFFAOYSA-N 339.395 3.575 0 50 EHAA O=C(Nc1ccc(O)cc1F)c1ccnc(OC2CCCCC2)c1 124522477 DYXOLVUTOXMOLH-UHFFFAOYSA-N 330.359 3.890 0 50 EHAA COc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(F)cc2)cc1 30983687 DPNXXXVSHMSJKQ-SFHVURJKSA-N 328.387 3.881 0 50 EHAA CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)cc1)CC(=O)N2 4986653 PLQCGOZZRIBLNR-OAHLLOKOSA-N 341.407 3.967 0 50 EHAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1nccs1 120950661 DIGOPXDLDJDXRK-LLVKDONJSA-N 338.502 3.663 0 50 EHAA CCN(Cc1ccc(-c2ccccc2F)cc1)[C@H]1CCS(=O)(=O)C1 77522497 YPZLWKOZYUBMQV-KRWDZBQOSA-N 347.455 3.502 0 50 EHAA O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1csnn1 32593995 AYAWBODQGWOQJR-UHFFFAOYSA-N 349.375 3.507 0 50 EHAA Cc1nc(C(C)C)cc(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)n1 77538587 JOORQXBCWWOUCB-HXUWFJFHSA-N 344.503 3.526 0 50 EHAA CC(=O)N1CCCCC[C@H]1C1CCN(C(=O)c2c(C)coc2C)CC1 375046568 LLRSBZWJLPEDQK-SFHVURJKSA-N 346.471 3.540 0 50 EHAA Brc1ccc(CSc2nncn2-c2ccccc2)nc1 171932106 PSEWOCJKPCDWFQ-UHFFFAOYSA-N 347.241 3.717 0 50 EHAA COc1ccc2c(c1)[C@H](C)CN(C(=O)c1oc(C3CC3)nc1C)CC2 373397705 FLCQPFPIEJEXGZ-GFCCVEGCSA-N 340.423 3.671 0 50 EHAA COc1ccc2cc([C@@H]3CN(Cc4nccs4)CCO3)ccc2c1 71750237 XSSRKCSSEDPLKC-SFHVURJKSA-N 340.448 3.878 0 50 EHAA Cc1[nH]c2c(c1C(=O)N(C)Cc1cccc3ncccc13)C(=O)CCC2 77564420 FPJQVPNSYMAHFA-UHFFFAOYSA-N 347.418 3.663 0 50 EHAA COc1ccc2cc([C@H]3CN(c4nc(C)ncc4C)CCO3)ccc2c1 71760118 AKCNIPPUCOYEQE-HXUWFJFHSA-N 349.434 3.833 0 50 EHAA O=C1C[C@H](c2ccc(F)c(F)c2)c2ncn(-c3cccc(F)c3)c2N1 40267031 OVFVDQKGJMYEDI-CYBMUJFWSA-N 343.308 3.764 0 50 EHAA C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCC[C@H]1c1ccncc1 240465954 GBROXYMECCEKEI-BPQIPLTHSA-N 331.460 3.523 0 50 EHAA Cc1ccc([C@@H]2CCCCN2S(=O)(=O)CCc2ccccc2)o1 173301163 SZRGZBMZOXEPKA-KRWDZBQOSA-N 333.453 3.688 0 50 EHAA COC(=O)c1sccc1NC(=O)N1CCCc2cc(C)ccc21 17067775 NMFAQLWZGCEXKW-UHFFFAOYSA-N 330.409 3.828 0 50 EHAA CC(C)(C)c1cnc(CN2C[C@@H](CO)[C@H](c3ccsc3)C2)s1 289814684 NUUWABNKSPXGFT-KBPBESRZSA-N 336.526 3.710 0 50 EHAA CCNc1ccnc(N[C@H]2CCCc3nc(-c4ccccc4)ncc32)n1 91818044 BXKWAAFGZJOKKE-KRWDZBQOSA-N 346.438 3.855 0 50 EHAA Cc1n[nH]c(C)c1CCNC(=O)N1CCCC[C@@H]1c1cccc(F)c1 426674269 QRGFXWAFCUZLDJ-GOSISDBHSA-N 344.434 3.645 0 50 EHAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1c(CC)cccc1CC 96132954 ADHHRRDTAINVBH-QGZVFWFLSA-N 345.487 3.676 0 50 EHAA CCn1ccnc1C1CCN(CCOc2ccc(C)c(C)c2)CC1 91997358 IULATESQGGQKDI-UHFFFAOYSA-N 327.472 3.778 0 50 EHAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 92020456 IKHHXUUEOLAQIE-CYBMUJFWSA-N 335.419 3.692 0 50 EHAA C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CCOc1ccccc1C(=O)O 183925386 XRSYHZSCVDSWOC-GDBMZVCRSA-N 343.398 3.781 0 50 EHAA CC(C)c1nc(NC(=O)CCn2ccc3c(Cl)cccc32)n[nH]1 253415133 ZSORBUJHMQYMBA-UHFFFAOYSA-N 331.807 3.565 0 50 EHAA Cc1cc2c3c(c1)c(=O)oc(=O)n3C(C)(C)C[C@@]2(C)c1ccccc1 253495733 OYVUOTNHBAXDMZ-NRFANRHFSA-N 335.403 3.708 0 50 EHAA O=C(NCCCOC1CCCCC1)c1cccc(-c2ncccn2)c1 299760709 JLQDMMPLZJPKCQ-UHFFFAOYSA-N 339.439 3.613 0 50 EHAA COc1ccc2[nH]c(CNC(=O)c3ccc4ncsc4c3)cc2c1 670458630 WUOAPLNRKQZUNU-UHFFFAOYSA-N 337.404 3.716 0 50 EHAA Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2sccc2Cl)C1 670460041 DCJRVGPPLCYONB-CQSZACIVSA-N 348.899 3.929 0 50 EHAA Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CC(C(C)C)C3)c12 677117543 XKZJNDMWUGYKRL-UHFFFAOYSA-N 348.450 3.672 0 50 EHAA CC1(C)C[C@@]1(NCc1nc(O)c2sccc2n1)c1ccccc1 662343129 IIJTYDYBCJYFIT-GOSISDBHSA-N 325.437 3.812 0 50 EHAA CC[C@@H]1CN(C(=O)C2(Nc3ccc(C)cc3)CCCCC2)CCO1 1506405109 CCFKGHIACQWDCS-GOSISDBHSA-N 330.472 3.747 0 50 EHAA Cc1cc(C)n(-c2ccccc2CN(CC2CC2)C[C@H]2CCCO2)n1 1506404926 AVHQSYBIAFIELJ-HXUWFJFHSA-N 339.483 3.880 0 50 EHAA COc1cc(/C=C/C(=O)Nc2ccc(C)cc2)cc(OC)c1OC 303231 MTCZKDYCMPZPGI-JXMROGBWSA-N 327.380 3.673 0 50 EHAA CCc1nn(C)c(NC(=O)[C@@H]2CCCc3c2[nH]c2ccccc32)c1C 1529095711 ULVPGVKHWDPTMZ-OAHLLOKOSA-N 336.439 3.831 0 50 EHAA CC(C)c1cc(Br)ccc1OCCNC[C@@H]1CCCO1 4870308 VQDDONSKHABMBD-AWEZNQCLSA-N 342.277 3.720 0 50 EHAA CSCc1nnc2sc(COc3cccc4ccccc34)nn12 1775972018 ADUZKIJUQXQISO-UHFFFAOYSA-N 342.449 3.781 0 50 EHAA Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3nccs3)c12 5346295 OOJKUGDCJGQSQN-UHFFFAOYSA-N 325.397 3.890 0 50 EHAA Cc1cccc(C)c1OCc1cc(C(=O)N2CCCC[C@@H]2C)no1 11815154 HSKHYMTYYDPTPT-HNNXBMFYSA-N 328.412 3.885 0 50 EHAA COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3ccco3)C2)cc1C 11816486 MXMPDKWZLCSAQR-INIZCTEOSA-N 327.424 4.000 0 50 EHAA O=C(Nc1ccccc1Br)C1C[C@@H]2CCC[C@H](C1)C2=O 12559410 YPSSISHGNJUYLE-FOSCPWQOSA-N 336.229 3.783 0 50 EHAA Cc1ncoc1C(=O)N[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 15076729 OJZNAPRQRYWFOF-ZDUSSCGKSA-N 342.443 3.514 0 50 EHAA Cc1cccc(CN2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1 16606506 WMQLARKVGCLBPL-UHFFFAOYSA-N 348.490 3.792 0 50 EHAA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccc1Cl)C2=O 19324326 LVYHMQIRHHBBAJ-UHFFFAOYSA-N 346.902 3.837 0 50 EHAA Cc1ccc(C)c(NC(=S)N2CCN(Cc3ccccc3)CC2)c1 19798520 OPKLBKQUDBMWRN-UHFFFAOYSA-N 339.508 3.818 0 50 EHAA Cc1cc2c(cc1C)[C@@]1(CCO2)C[C@H]1C(=O)N[C@H](C)c1ccccn1 1857528906 CLLSANPUCDJYTN-LDBYXDLTSA-N 336.435 3.616 0 50 EHAA COc1ccc(-n2c(Cc3ccccc3)n[nH]c2=S)c(OC)c1 5687657 QPNDCJTXQUFFHD-UHFFFAOYSA-N 327.409 3.538 0 50 EHAA CO[C@@H](CSc1nc(=O)ccn1C(C)C)c1ccc(Cl)cc1 252493200 NAVRULIBEQMDJQ-AWEZNQCLSA-N 338.860 3.957 0 50 EHAA Cc1c(F)ccc(Cl)c1NC(=O)[C@@H](C)NC(=O)CC(C)(C)C 252509796 YVXIRDMAKUJLEL-SNVBAGLBSA-N 328.815 3.667 0 50 EHAA Cc1noc(C)c1CNC1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 1257751686 YSYXPQSRDQMLEO-UHFFFAOYSA-N 349.475 3.561 0 50 EHAA Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(Cc2ccccc2)[nH]1 935792930 ALGJGIAYVNHUGP-FQEVSTJZSA-N 348.450 3.706 0 50 EHAA COc1ccc([C@H]2CCCN2C(=O)c2ccc(F)c3occc23)nc1 890244990 QUOOKBJOIFBZNH-QGZVFWFLSA-N 340.354 3.953 0 50 EHAA c1ccc(Oc2cccc(CN3CCC[C@H](c4ncc[nH]4)C3)c2)nc1 891724869 IWCROBVLLBPAMQ-KRWDZBQOSA-N 334.423 3.977 0 50 EHAA O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 50007 YBXCCGPAUWPKGO-LLVKDONJSA-N 349.217 3.985 0 50 EHAA Cc1cc(N2CCN(c3cccnc3)CC2)c2ccc(F)c(F)c2n1 2325855033 FOVAZJXISCNFJA-UHFFFAOYSA-N 340.377 3.543 0 50 EHAA COc1ccc(NC(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1 178734 IJCCXYPHWDIRDS-UHFFFAOYSA-N 344.371 3.997 0 50 EHAA CC[C@@H](C(=O)NCCc1ccc(OC)c(OC)c1)c1ccccc1 433790 NEFROOCEKFXOJH-QGZVFWFLSA-N 327.424 3.556 0 50 EHAA COC(=O)[C@H](CC(C)C)NC(=O)c1sc2ccccc2c1Cl 465456 FWQQRQCYPMLWHA-NSHDSACASA-N 339.844 3.872 0 50 EHAA COc1cc(OC)c(OC)cc1CNC1C2CC3CC(C2)CC1C3 4685553 ITGQNVHLEVQNKS-UHFFFAOYSA-N 331.456 3.627 0 50 EHAA CC(C)N(C(=O)c1ncsc1Br)C1CC(C)(C)C1 411083558 FHECFKVYDSGNRN-UHFFFAOYSA-N 331.279 3.945 0 50 EHAA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)[C@H]12 101699990 DMPSOXOMPHMNQE-CDHQVMDDSA-N 347.414 3.967 0 50 EHAA O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc(O)cc1 225498428 YGILPHRBGJOCHH-MRXNPFEDSA-N 337.828 3.571 0 50 EHAA CCCCOc1ccc(-c2cc3c4nnc(S)n4ccn3n2)cc1 21730864 AAVMONVKDSVNJN-UHFFFAOYSA-N 339.424 3.512 0 50 EHAA C[C@@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1nc2ccccc2[nH]1 55134039 GQLYPSOHKZUYHQ-GFCCVEGCSA-N 335.386 3.943 0 50 EHAA CN1C(=O)CCc2cc(-c3csc(-c4ccccc4N)n3)ccc21 133512223 ZTZHPXIHPGLTCI-UHFFFAOYSA-N 335.432 3.968 0 50 EHAA CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1ccncc1F 55386171 JJOMYLOMFGNHEU-UHFFFAOYSA-N 329.375 3.910 0 50 EHAA O=C(NCCCc1ccccc1)c1cc(COc2ccccc2)on1 20601070 IOOBKGQXGKMSCM-UHFFFAOYSA-N 336.391 3.616 0 50 EHAA O=C(NOCc1cccnc1)N1C[C@H]2CCCC[C@]21c1ccccc1 119021275 XCKGRNMQQBNSBC-QUCCMNQESA-N 337.423 3.624 0 50 EHAA Cc1ccc(NC(=O)NC[C@H]2CCN(Cc3ccco3)C2)cc1C 67676066 SYHAGSPWSGGBDP-MRXNPFEDSA-N 327.428 3.540 0 50 EHAA C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC[C@H]1C 252474365 BWXJNQRNSROICM-QXSJWSMHSA-N 338.492 3.574 0 50 EHAA CCn1nc(C(=O)N2CCCC[C@H]2c2cccc(OC)c2)cc1C 77439150 AUZAGTVAXLFHMD-SFHVURJKSA-N 327.428 3.587 0 50 EHAA CN(c1nc2ccccc2o1)C1CCN(CCC(F)(F)F)CC1 450953386 YJJDQOHINLXEIK-UHFFFAOYSA-N 327.350 3.681 0 50 EHAA COc1nc2c(cc1CN[C@H](C)CC(C)C)C(=O)N(C1CCCC1)C2 71774461 ZZKCLXSNLOLMPJ-CQSZACIVSA-N 345.487 3.513 0 50 EHAA C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)[C@H]1CCCO1 13321903 DIBLIKLNDVEPNF-VBKZILBWSA-N 347.418 3.594 0 50 EHAA C[C@@H](Cc1ccccn1)N(C)Cc1cnn(-c2ccccc2Cl)c1 215337831 IKYDXLHPEXXHOR-HNNXBMFYSA-N 340.858 3.984 0 50 EHAA CNC(=O)c1ccc(NC(=O)CCc2cccc(Cl)c2)c(C)c1 46594625 PXBAKSITNXCZTB-UHFFFAOYSA-N 330.815 3.579 0 50 EHAA O=C(O)[C@]1(Cc2cccc(Cl)c2)CCCN(Cc2cccnc2)C1 71661261 SDGDIGGLXBRHFA-IBGZPJMESA-N 344.842 3.645 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@H](c2ccccc2Cl)C1 82109240 JVUKIBRARUHESX-HNNXBMFYSA-N 345.874 3.639 0 50 EHAA CSc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c1C 241776859 RTEFOPISLSIBHI-GOEBONIOSA-N 333.501 3.665 0 50 EHAA COC(=O)c1ccc(C)c(NC(=O)Nc2ccc(C(C)=O)cc2)c1 17066731 BLAOGHHHYZQHNZ-UHFFFAOYSA-N 326.352 3.628 0 50 EHAA Cc1oc(C(C)C)cc1C(=O)Nc1cccc(CS(C)(=O)=O)c1C 285484647 LWUXCJVOGVUAPR-UHFFFAOYSA-N 349.452 3.817 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NCc1ccc(Cl)cc1)[C@@H]2C(=O)O 222491168 USUOWUCBPCDFAH-MUIFIZLQSA-N 347.842 3.649 0 50 EHAA COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)Cc1cc(C)on1 286945193 MFUILALLKBWDFT-SUMWQHHRSA-N 328.412 3.534 0 50 EHAA Cc1cccnc1[C@@H](NC(=O)c1cc(-c2ccccc2)on1)C1CC1 96130337 PVPMEFKOTFGCHE-IBGZPJMESA-N 333.391 3.926 0 50 EHAA c1cncc(-n2nc(C3CCOCC3)nc2-c2ccc3cc[nH]c3c2)c1 97515004 VRYMZHKSJYUXHX-UHFFFAOYSA-N 345.406 3.705 0 50 EHAA O=C(O)CCC1CCN(Cc2c(Cl)ccc(O)c2Cl)CC1 97698843 IAXVOGKFIKQYHV-UHFFFAOYSA-N 332.227 3.776 0 50 EHAA CN(CC1(CO)CC1)C(=O)Nc1ccc(-c2cccc(F)c2)cc1 97730274 JLUVEDMMIUNBDV-UHFFFAOYSA-N 328.387 3.729 0 50 EHAA COCCC[C@H]1CCCCN1C(=O)c1cc2c(C)cccc2n1C 91931882 YFEUKXLEOPBFLQ-MRXNPFEDSA-N 328.456 3.908 0 50 EHAA Cc1ccc(-n2cnnc2)cc1NC(=O)N[C@@H](C)C1=CCCCC1 96139441 LDSHKGAWTWKHCY-AWEZNQCLSA-N 325.416 3.586 0 50 EHAA CN1CCCCC[C@@H]1C(=O)NCc1cc(C(F)(F)F)ccc1Cl 95363346 KHJLDLDEOSIDGD-CQSZACIVSA-N 348.796 3.849 0 50 EHAA C[C@@H]1CCCCN1C1CN(Cc2cnc(-c3ccccc3)s2)C1 244608508 FDYCJIGSJPKLPP-OAHLLOKOSA-N 327.497 3.869 0 50 EHAA COc1ccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1Cl 431344852 PKLBRMNFEDQUOI-UHFFFAOYSA-N 346.814 3.739 0 50 EHAA CCn1cc(-c2ccc(C(=O)N(C)CCC[C@H]3CCCO3)cc2)cn1 534655897 BCZDBWDVDCHRKW-IBGZPJMESA-N 341.455 3.601 0 50 EHAA Cc1ocnc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 299755400 BTMNQEBMUSNNFO-LBPRGKRZSA-N 327.409 3.613 0 50 EHAA Nc1nc(C2CCCC2)ncc1-c1noc(CC(C2CC2)C2CC2)n1 1327706740 PPKZXPSABMIIBL-UHFFFAOYSA-N 339.443 3.745 0 50 EHAA Fc1ccccc1OC1CCN(C2CSCCSC2)CC1 952983827 WHIMPHHCJFZMNL-UHFFFAOYSA-N 327.490 3.518 0 50 EHAA C[C@@H]1CN(C(=O)Nc2nnc(-c3ccco3)s2)[C@H]2CCCC[C@H]12 272896828 ZRTOGXQWTRDQHQ-UTUOFQBUSA-N 332.429 3.841 0 50 EHAA C[C@H](NC(=O)[C@@H](C)n1cnc2ccccc21)c1ccc(Cl)cn1 188720722 HBVBJCGGKLMMQF-NWDGAFQWSA-N 328.803 3.523 0 50 EHAA Cc1noc2ncnc(N(CCc3ccccc3)Cc3ccncc3)c12 192500613 ABDZXNSUZAGNEN-UHFFFAOYSA-N 345.406 3.571 0 50 EHAA COc1ncccc1CN1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 193457647 DVGJIVASDCSVHX-HNNXBMFYSA-N 336.439 3.655 0 50 EHAA CN(C)CCCC1CCN(C(=O)Nc2ccc3sncc3c2)CC1 194296224 UNCIVPUQUVRLDC-UHFFFAOYSA-N 346.500 3.882 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)C[C@H](C2CC2)O1 1529195940 RUCLYDNIPSXQGI-OXQOHEQNSA-N 340.467 3.988 0 50 EHAA Cc1cc(C)cc(NC(=O)N2CCC(c3ccnc(O)c3)CC2)c1 1772817621 SKYOIMHTYCSDSL-UHFFFAOYSA-N 325.412 3.816 0 50 EHAA CC(C)Sc1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1 12497444 OMTLTRBHSAQJND-UHFFFAOYSA-N 332.454 3.701 0 50 EHAA COc1cc(Cl)cc(C[C@H]2C(=O)N(C)c3ccccc32)c1OC 15017470 FWLCELYQPYJMKL-CQSZACIVSA-N 331.799 3.660 0 50 EHAA Cc1nnc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)s1 16623332 BANUGKURBKJYGC-VIFPVBQESA-N 330.438 3.514 0 50 EHAA Oc1cccc(-c2nccn2[C@@H]2CCOC3(CCOCC3)C2)c1Cl 1857714150 UDRZXAXYZBAIPA-CYBMUJFWSA-N 348.830 3.810 0 50 EHAA Cc1cc(NC(=O)[C@H]2CCC(C)(C)O2)n(-c2ccc(Cl)cc2)n1 426522138 JJIAMQBHTCDUDD-CQSZACIVSA-N 333.819 3.730 0 50 EHAA COC1(c2noc(-c3snnc3-c3ccccc3C)n2)CCCC1 901976931 JYICORNPQGQOKM-UHFFFAOYSA-N 342.424 3.979 0 50 EHAA COc1cccc2c1nc(NCc1csc(C(F)(F)F)n1)n2C 902067248 VPXUQYVMBPDRPZ-UHFFFAOYSA-N 342.346 3.669 0 50 EHAA CCc1cc(NC(=O)c2ncc(C(F)(F)F)cc2Cl)nc(C)n1 903624077 NXZSFUTYCWIHPU-UHFFFAOYSA-N 344.724 3.667 0 50 EHAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1CCCC(F)(F)CC1 1875288659 SVPSUAZQKYRAFQ-ZDUSSCGKSA-N 325.355 3.559 0 50 EHAA O=C(Nc1cnc2ccsc2c1)c1cc2ccc(F)cc2nc1O 1875361387 YJRDJMIZLPJUHJ-UHFFFAOYSA-N 339.351 3.942 0 50 EHAA COc1ccc([C@H]2CN(c3nc4ccc(F)cc4o3)CCO2)cc1 895029282 NQMLLWHPXGYTBX-QGZVFWFLSA-N 328.343 3.553 0 50 EHAA CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2ccc(C)cc12 389323 CRBKTBZOODHBBI-UHFFFAOYSA-N 325.339 3.795 0 50 EHAA CCOC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 471936 MPYFCIXEKJFZLE-UHFFFAOYSA-N 345.226 3.800 0 50 EHAA COc1ccc(CN2CCC(n3cc(CC(C)C)nn3)CC2)c(C)c1 55253901 QTYLHUPIVQAATD-UHFFFAOYSA-N 342.487 3.631 0 50 EHAA COc1ccc(CN2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1O 225503169 ONRKNRMPWVMLQE-OAHLLOKOSA-N 343.427 3.779 0 50 EHAA CC(C)CN1C(=O)[C@@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 20064193 WRGXJPCXSIZTML-JOCHJYFZSA-N 345.446 3.560 0 50 EHAA biogenic CC[C@@H](COC)Nc1ccc(-c2nc(Cc3ccccc3)no2)cn1 20599746 MLHSDLDPVWTEES-INIZCTEOSA-N 338.411 3.559 0 50 EHAA O=C(C1CCCCCC1)N(CCCn1ccnc1)Cc1ccncc1 55392932 XRBXCHKHJHFPJK-UHFFFAOYSA-N 340.471 3.667 0 50 EHAA Cc1nn(C)c(C)c1CN(Cc1cccn1-c1ccccn1)C(C)C 63855690 AMPKGQMUKMBDRW-UHFFFAOYSA-N 337.471 3.633 0 50 EHAA CC(C)C[C@@H](C)NC1CCN(c2ccc(N3CCCC3=O)cc2)CC1 63846225 VBRUVUVHRXLUGA-QGZVFWFLSA-N 343.515 3.806 0 50 EHAA O=C(c1cscn1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 20781806 IUAMTJCLIGUMBP-CQSZACIVSA-N 330.388 3.526 0 50 EHAA CC(=O)O[C@H](C(=O)Nc1nc2ccccc2s1)c1ccccc1 8974487 WHJUAFWGYNBUMM-HNNXBMFYSA-N 326.377 3.539 0 50 EHAA CCOC(=O)c1ccccc1-c1csc(NC(=O)c2ccco2)n1 1389449 YWJUOJFVDYLVTP-UHFFFAOYSA-N 342.376 3.832 0 50 EHAA COc1ccc(OCc2nc3c4c(C)c(C)sc4ncn3n2)cc1 2789932 DFNLICPVAPIESU-UHFFFAOYSA-N 340.408 3.543 0 50 EHAA CC(C)c1ncncc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 253431276 UYLAWAHNHVJSTE-DZGCQCFKSA-N 327.403 3.757 0 50 EHAA COCCN(Cc1ccncc1)Cc1c(C)cc(OC)c(C)c1C 215548654 UIELLULMWCAJSN-UHFFFAOYSA-N 328.456 3.664 0 50 EHAA Cc1cccc(N2CCC(N[C@H]3CCCOc4ccccc43)CC2)n1 375523014 JPBRIRONHUKTJU-IBGZPJMESA-N 337.467 3.862 0 50 EHAA CN(C[C@@H]1CC12CCN(Cc1nc3ccccc3s1)CC2)C1CC1 374287193 JKMCFQYUTPFRJJ-HNNXBMFYSA-N 341.524 3.993 0 50 EHAA CCc1noc(C)c1C(=O)N[C@]1(C(F)(F)F)CCc2ccccc21 331727769 OHDPVPAJEPZXNI-MRXNPFEDSA-N 338.329 3.679 0 50 EHAA Cc1noc(C)c1CNc1cc(-c2ccc(F)cc2)nc2ccnn12 72475487 VJXGCVXHKRTTMW-UHFFFAOYSA-N 337.358 3.752 0 50 EHAA Cc1cccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)c1C 13325009 PDOMSLMJJNMVFP-UHFFFAOYSA-N 339.439 3.780 0 50 EHAA Cc1nc(C)c(C(=O)N[C@@H](c2nc3ccccc3n2C)C(C)C)s1 223234621 ZLWBCQBWPBWKAL-OAHLLOKOSA-N 342.468 3.774 0 50 EHAA Cc1cccc(C)c1OC1CN(C(=O)c2cnc3ccccc3c2)C1 82098508 JRHHQTBGUCJGOF-UHFFFAOYSA-N 332.403 3.755 0 50 EHAA O=C(NCc1cc(C2CC2)n[nH]1)N1CCCCC[C@H]1c1ccco1 426651323 MLZDDSAGHKDCTM-INIZCTEOSA-N 328.416 3.707 0 50 EHAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCCc4occc4C3)c2)n1 289111560 FBELTFUSMKBWCH-UHFFFAOYSA-N 349.434 3.730 0 50 EHAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1cccc(O)c1 230514916 DLVKQRXMQVLMMG-UHFFFAOYSA-N 332.208 3.808 0 50 EHAA CC[C@@H](C(=O)NCCCSc1ccc(Cl)cc1)n1cccn1 91908045 LCGCRZUHTXBXFT-HNNXBMFYSA-N 337.876 3.786 0 50 EHAA O=C(NCCC[C@H]1CCOC1)Nc1cccc(OC(F)(F)F)c1 96130617 HDAKABJOYZLVDH-NSHDSACASA-N 332.322 3.523 0 50 EHAA Cc1nc2c(c(NCC[C@@H]3CCCCO3)n1)Cc1ccccc1OC2 97532496 JSXXWTCDGOSGES-INIZCTEOSA-N 339.439 3.639 0 50 EHAA Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(OC(C)C)n1)CCC2 179073707 ZPMSCTAYBVWDIR-HNNXBMFYSA-N 345.468 3.783 0 50 EHAA Cn1c([C@@H]2CCCN2C(=O)CCCn2cccc2)nc2ccccc21 269497356 VQURZWXMZGXFKW-SFHVURJKSA-N 336.439 3.519 0 50 EHAA COc1cccc(OCc2nnc([C@H]3CCO[C@@H]3C(C)(C)C)o2)c1 299740495 BDLSFYGVEGEDCF-HOCLYGCPSA-N 332.400 3.576 0 50 EHAA Cc1cc(F)cc(NC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)c1 299780096 RBVVSDKWUSAXPS-CQSZACIVSA-N 341.386 3.656 0 50 EHAA O=C(Cc1c[nH]c2ncccc12)N1CCc2c1cccc2C(F)(F)F 185785634 QBUBZKCMPNAISH-UHFFFAOYSA-N 345.324 3.714 0 50 EHAA CCCc1c(NC(=O)c2c[nH]nc2C2CC2)cnn1-c1ccccc1C 277465075 YPBGBSZYKWPYJS-UHFFFAOYSA-N 349.438 3.986 0 50 EHAA COC1CCC(Nc2cccc(C(=O)N3CCSCC3)c2C)CC1 170076184 NXDLSOPPPPSVKJ-UHFFFAOYSA-N 348.512 3.554 0 50 EHAA COc1cc(/C=C/C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC 303285 UAVHAYWIFGDRGB-VNDWYCCKSA-N 341.407 3.603 0 50 EHAA COC(=O)c1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 1188195 DVWCIEBZXDXZMB-RVDMUPIBSA-N 339.372 3.714 0 50 EHAA CNCCCCOc1cccc2c1SCc1ccccc1C2=O 5719801 JTAPOVSFUOGMDI-UHFFFAOYSA-N 327.449 3.902 0 50 EHAA COc1ccc(Cl)cc1-c1nc(CC(=O)Nc2ccccc2)no1 16579305 QEUVJVKGUXNRPT-UHFFFAOYSA-N 343.770 3.580 0 50 EHAA CC1(C)Cc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)CO1 18285488 YHSXNNNADFWLBH-UHFFFAOYSA-N 344.461 3.961 0 50 EHAA OC[C@H](c1ccc(F)cc1)n1ccnc1-c1cccc2ncccc12 1857695288 CPEIVISSOUFPDP-LJQANCHMSA-N 333.366 3.819 0 50 EHAA COc1ccc2c(C)c(C(=O)N3CCO[C@H]4CCCC[C@@H]43)oc2c1 216984783 YFHGRUXDDZGSBB-HOTGVXAUSA-N 329.396 3.533 0 50 EHAA CC(C)(C)OC(=O)n1cc(CO)c2c(Br)cccc21 2563733 QWJQFTZLGZCFNQ-UHFFFAOYSA-N 326.190 3.679 0 50 EHAA in-vitro Cc1cc(-c2nc(C(=O)N[C@H](C)CCCC(F)(F)F)co2)ccn1 451173552 AVLYEDPYFJXCLG-SNVBAGLBSA-N 341.333 3.896 0 50 EHAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@@H](CCO)C1 676406328 LKQQRYMBIHHEJZ-ZDUSSCGKSA-N 333.815 3.835 0 50 EHAA Cc1nnsc1[C@H](C)S(=O)(=O)c1ccc(Cl)cc1Cl 901569520 BDZOUXRJVVWJDQ-ZETCQYMHSA-N 337.253 3.688 0 50 EHAA C[C@H]1c2sccc2CCN1C(=O)Cn1cc(C=O)c2ccccc21 921507200 ZKCPYWIMFJHXNW-ZDUSSCGKSA-N 338.432 3.661 0 50 EHAA Cc1ccc(-c2nc(CNC(=O)OC(C)(C)C)no2)c2ncccc12 1875272322 DXPWLHPJAHMHSV-UHFFFAOYSA-N 340.383 3.618 0 50 EHAA Cc1cccc([C@H](CN)C(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)c1 1875316625 CTIRSBPYQODJTK-XPGWFJOJSA-N 340.442 3.786 0 50 EHAA Cc1cc(S(=O)(=O)N2CCCC3(CCC3)[C@H]2C)ccc1Cl 1875332451 RYJXCHGRLXISFY-CYBMUJFWSA-N 327.877 3.992 0 50 EHAA O=C(N[C@@H](c1ccccc1)c1ccco1)N1CC(Cc2ccoc2)C1 891633877 MMGOMFFWPGSIQJ-IBGZPJMESA-N 336.391 3.846 0 50 EHAA O=C(O)C[C@@H]1CCN(Cc2ccc(C3CCC3)cn2)CCC1(F)F 2325791895 GTOGJIKWLDHHNU-HNNXBMFYSA-N 338.398 3.671 0 50 EHAA CCCC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(C(F)(F)F)C1 108406 OCRDHKWISNASML-ZDUSSCGKSA-N 334.725 3.593 0 50 EHAA O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 229925 VKMCWCNLQJAUEE-UHFFFAOYSA-N 333.794 3.833 0 50 EHAA CCOC(=O)c1c(NC(C)=O)sc2cc(Br)ccc12 282308 GPJNTBYKMFSIRO-UHFFFAOYSA-N 342.214 3.799 0 50 EHAA CC(=O)Nc1cccc2c1C(=O)N(c1ccc3ccccc3c1)C2=O 285215 BJAPEHDYVJWPAY-UHFFFAOYSA-N 330.343 3.599 0 50 EHAA CC1=CC[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 315607 STPKQKKLSGRYFG-MNOVXSKESA-N 328.195 3.989 0 50 EHAA Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccncc2)cc1 351403 BWLONESKCBERBF-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C 470751 CYLWQANHAYUNOM-UHFFFAOYSA-N 345.342 3.823 0 50 EHAA CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2F)c1 2049721 BJQODYSYDZYXJZ-UHFFFAOYSA-N 332.400 3.741 0 50 EHAA CCCCOC[C@@H](O)Cn1c(Cc2ccccc2)nc2ccccc21 4094513 LWUMKENPHNIXBB-SFHVURJKSA-N 338.451 3.805 0 50 EHAA Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 4867190 MYXKBAJLCVKPIA-CYBMUJFWSA-N 328.799 3.640 0 50 EHAA CCCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)o1 6697374 FBEWZWKLPLARPY-UHFFFAOYSA-N 327.409 3.906 0 50 EHAA Cc1sc(NC(=O)CN2CCC(C)CC2)nc1-c1ccccc1 10495506 RMQSEFBGTCFASY-UHFFFAOYSA-N 329.469 3.789 0 50 EHAA O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1C[C@@H]1CCCO1 9118295 FQYRRTFALHZMAC-MAUKXSAKSA-N 326.371 3.571 0 50 EHAA C/C(=C\C(=O)N1CCCCC1)OP(=O)(OC(C)C)OC(C)C 22014746 LOZMLDLSBBBJJH-SDNWHVSQSA-N 333.365 3.877 0 50 EHAA Cc1ccsc1CN(CCN(C)C)C(=O)c1cc2ccccc2[nH]1 55368699 OPFBICIWFVVSLB-UHFFFAOYSA-N 341.480 3.742 0 50 EHAA O=C(NCc1ccc(-n2ccnc2)cc1)Nc1cccc(Cl)c1 66888204 VYLDEQUYZCBMGK-UHFFFAOYSA-N 326.787 3.847 0 50 EHAA CCCOCCN1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67446567 LWEPNQTVMJDLCQ-UHFFFAOYSA-N 341.451 3.989 0 50 EHAA O=C1OCCN1CCn1cnc(-c2ccccc2)c1Cc1ccccc1 65489061 ZFQVXEKJQAENPV-UHFFFAOYSA-N 347.418 3.593 0 50 EHAA CCn1ncc(C(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)c1C 65469069 JUHTZYUKJQJWQL-UHFFFAOYSA-N 340.427 3.580 0 50 EHAA CCCC(=O)N1CCC[C@]2(CCN(Cc3cc(C)cc(C)c3)C2)C1 67447232 DVZZZIBJKFTFON-OAQYLSRUSA-N 328.500 3.918 0 50 EHAA C[C@@H]1C[C@H]1C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 252480891 CFZJWUKNWBPOIR-LYRGGWFBSA-N 341.373 3.945 0 50 EHAA CCC[C@H](C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccn1 252500442 SVSYCUMPTQOJON-INIZCTEOSA-N 337.423 3.879 0 50 EHAA COc1ccc(CNC(=O)c2cc(C(=O)C3CCCCC3)c[nH]2)cc1 1396135 YJNAVIBOYJBQOY-UHFFFAOYSA-N 340.423 3.716 0 50 EHAA COC(=O)[C@@H](N[C@@H](C)c1cccc(Cl)c1Cl)c1cccnc1 152323260 DYQYWOMTQOIEAU-BONVTDFDSA-N 339.222 3.953 0 50 EHAA CN(CC[C@@H]1CCCCO1)C(=O)c1ccc(N2CCCCC2)cc1 216317620 ZDNUGFKRYDDURI-IBGZPJMESA-N 330.472 3.708 0 50 EHAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)Cc1ccc(Cl)cc1 72421984 TZRFLDVJSCCWBS-UHFFFAOYSA-N 339.826 3.727 0 50 EHAA O=C(CCc1cccc(C(F)(F)F)c1)N1CC[C@H](O)C12CCCC2 495658126 OZGLPKQKQCAALR-HNNXBMFYSA-N 341.373 3.544 0 50 EHAA CCCOc1ccccc1NC(=O)N1CCO[C@H](c2nccs2)C1 171886931 RDYWXWPNDWVKBS-HNNXBMFYSA-N 347.440 3.537 0 50 EHAA COc1ccccc1C1(CN[C@@H](C)Cc2cnccn2)CCCC1 453067763 MLIVOUYHHRRFRV-INIZCTEOSA-N 325.456 3.518 0 50 EHAA O=C(Nc1ccccc1N1CCCC1)c1ccnc(OCC(F)F)c1 129110156 CYMMTBPHYUNJQA-UHFFFAOYSA-N 347.365 3.578 0 50 EHAA Cn1cccc1[C@H]1CCCCCN1C(=O)Cc1ccc(Cl)cn1 339881293 ULTGAVJOMZCEMC-QGZVFWFLSA-N 331.847 3.760 0 50 EHAA O=C(c1ccccn1)[C@@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 221223260 ZDJHXUAVEFHNML-GFCCVEGCSA-N 346.789 3.609 0 50 EHAA COc1ccc2c(OCc3csc([C@@H](C)OC)n3)ccnc2c1 177609347 OHSPJGMFFJFBFF-LLVKDONJSA-N 330.409 3.986 0 50 EHAA CN1CCC(CCC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 426555411 GCGIMTFGKNCUAG-UHFFFAOYSA-N 342.405 3.700 0 50 EHAA O=c1[nH]c(=S)n(C2CC2)c2nc(C3CC3)cc(C(F)(F)F)c12 20608000 DSWAGFUXKJPWSF-UHFFFAOYSA-N 327.331 3.685 0 50 EHAA Cc1ccc(C2(C(=O)N3CCCC[C@@H]3CCn3ccnc3)CC2)cc1 82097473 QNTPBTSDPNNBFL-LJQANCHMSA-N 337.467 3.695 0 50 EHAA COCc1c(C(=O)NC2c3ccccc3-c3ccccc32)noc1C 97463485 YCUGXMDKVQQUCQ-UHFFFAOYSA-N 334.375 3.629 0 50 EHAA Cc1noc(C)c1NC(=O)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 95497367 UATSNAMUORTKKD-AWEZNQCLSA-N 343.362 3.676 0 50 EHAA CCN(Cc1ccc(C)o1)C(=O)c1cc2cc(OC)ccc2n1C 91650122 YDZPBYOQIZQFPZ-UHFFFAOYSA-N 326.396 3.751 0 50 EHAA Cc1nc(C[C@H]2CCCOC2)n(-c2cc(Cl)ccc2Cl)n1 96141113 RNZIDXUNKYMCHL-LLVKDONJSA-N 326.227 3.852 0 50 EHAA O=C1N(C2CCCCC2)CCC[C@@]12CCN(Cc1cccc(F)c1)C2 92078071 IIPRHJNFNRYKQV-NRFANRHFSA-N 344.474 3.973 0 50 EHAA O=C(NCCCSCc1ccc(Cl)cc1)C1CCOCC1 97492469 XVYINFVVSNRSJG-UHFFFAOYSA-N 327.877 3.506 0 50 EHAA Cc1cc(F)cc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1 92002634 MURLFFMHEHJDJW-UHFFFAOYSA-N 344.474 3.749 0 50 EHAA COc1ccc(C(=O)N[C@@H](c2nc3ccccc3n2C)C(C)C)cc1 253535810 FFNIHSOZUUPLQB-GOSISDBHSA-N 337.423 3.709 0 50 EHAA CCCCN(Cc1cccc(Cl)c1)C(=O)NC[C@H](C)N(C)C 534649554 ZETSORVGBGGYFF-AWEZNQCLSA-N 325.884 3.602 0 50 EHAA Cc1cnccc1CN(C)C(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299774505 CZZBAUGLBLEFKM-HBMCJLEFSA-N 349.478 3.574 0 50 EHAA Fc1ccccc1-c1cnc(-c2cccnc2)nc1[C@H]1CCCNC1 299799779 ZZLSWVHXRVAXBB-AWEZNQCLSA-N 334.398 3.812 0 50 EHAA O=C(N[C@H]1CCCN(Cc2cccs2)C1)c1cccc2cc[nH]c12 828177540 OOVNRNWEYAZTIQ-HNNXBMFYSA-N 339.464 3.624 0 50 EHAA c1ccc(-c2nc(CNCc3cnc(-c4ccco4)nc3)co2)cc1 952986069 YCQSMGDOPJNOCO-UHFFFAOYSA-N 332.363 3.681 0 50 EHAA Fc1cnc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc1 269446740 CNKAYIPJORRHGD-UHFFFAOYSA-N 332.766 3.794 0 50 EHAA CNC[C@H](C)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 170677528 YALGCBFDAKOAOC-KSSFIOAISA-N 330.859 3.596 0 50 EHAA Cc1ccccc1[C@@H](CC(=O)N1CCc2[nH]ncc2C1)c1ccccc1 12300953 PCOLURWANVNYSV-FQEVSTJZSA-N 345.446 3.825 0 50 EHAA Cc1cccc(CCNc2nncc(-c3cccc(Cl)c3)n2)n1 15074608 XWGNRSCLGIAMDK-UHFFFAOYSA-N 325.803 3.550 0 50 EHAA O=c1c2ccccc2ncn1CCCCOc1ccc(Cl)cc1 16381745 NYNMTVMPAGCMBS-UHFFFAOYSA-N 328.799 3.909 0 50 EHAA CC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 18126298 GMAHHPTXNYEWFM-UHFFFAOYSA-N 343.326 3.709 0 50 EHAA O=C(Cc1ccccc1)N[C@H](N1CCCCC1)C(Cl)(Cl)Cl 19228677 NGJRJICEDILPTG-CQSZACIVSA-N 349.689 3.528 0 50 EHAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1857702519 MLYIPTOAVHEWEQ-DOFRTFSJSA-N 348.752 3.593 0 50 EHAA Cc1noc([C@@H]2CC[C@H](CN[C@@H]3CCC[C@H]3Cc3ccccc3)O2)n1 328624758 KEFXTYUICDYFQP-MANSERQUSA-N 341.455 3.599 0 50 EHAA Cc1nc([C@H](NC(=O)c2scc(C)c2Cl)c2ccccc2)n[nH]1 239782608 CPPSNDKRYOOQIM-CYBMUJFWSA-N 346.843 3.656 0 50 EHAA CCN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1cccc(Cl)c1Cl 252481832 CTIMIHUSBYJQFC-NWDGAFQWSA-N 338.238 3.884 0 50 EHAA CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc2c(c1)OCO2 253432123 WNZSXUVJTFCEOF-FQEVSTJZSA-N 343.398 3.953 0 50 EHAA Cc1nccn1-c1ccc(F)cc1CNC(=O)N(C)[C@@H]1CC[C@@H](C)C1 1875263725 GZHXMRPGPRBRKJ-CXAGYDPISA-N 344.434 3.650 0 50 EHAA CC(=O)CCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2o1 888093685 BNPWCHBYGBRJOG-KRWDZBQOSA-N 336.391 3.597 0 50 EHAA O=C(NCCCOC1CCCCC1)c1coc(Br)c1 332555410 KGBWDXUFORWIHO-UHFFFAOYSA-N 330.222 3.511 0 50 EHAA Cc1cccc(-c2nc(CN(C)[C@H]3C[C@H]4C[C@@H](O)C[C@H]4C3)c(C)o2)c1 2100544985 DRWAFQHIRIBXKP-QGFMHUBQSA-N 340.467 3.940 0 50 EHAA Cn1ncc(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)c1C(F)F 2325735413 WXPXRTGXFZBWNT-SECBINFHSA-N 341.745 3.516 0 50 EHAA O=C(N[C@H]1C[C@H](Cn2ccnc2)C1)c1cccc2cc(Cl)ccc12 2325782318 NPIDHQUGHIZWRQ-SAZUREKKSA-N 339.826 3.898 0 50 EHAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(F)cc1 361096 WYVFGQDMCLWGEI-UHFFFAOYSA-N 338.791 3.615 0 50 EHAA CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1ccc(O)cc1C)C2=O 461621 PQRJAOYDPPTPJR-UHFFFAOYSA-N 345.354 3.857 0 50 EHAA COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2ccccc2)c1 2989474 FCTGQLXRYKYFPD-CYBMUJFWSA-N 329.421 3.901 0 50 EHAA CC(C)OP(=O)(OC(C)C)[C@@H](OC(N)=O)c1ccccc1O 3185556 JHQTYGKDTVQHBB-CYBMUJFWSA-N 331.305 3.529 0 50 EHAA O=c1[nH]c(CSc2nc3ccc(Cl)cc3[nH]2)nc2ccccc12 4406711 LCRIHBFESMAZSA-UHFFFAOYSA-N 342.811 3.745 0 50 EHAA COc1ccc(CCNC(=O)c2ccc(C)c(Cl)c2)cc1OC 4676450 IRINYQNYOPKWIC-UHFFFAOYSA-N 333.815 3.638 0 50 EHAA COc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC 4805237 QENOFSTXPVUFDF-UHFFFAOYSA-N 330.428 3.794 0 50 EHAA O=C(c1cccc(OCCOc2ccccc2)c1)N1CCCCC1 6742808 BCMCMSGUIXVNMQ-UHFFFAOYSA-N 325.408 3.771 0 50 EHAA O=C(Nc1ccc(Cl)cc1Cl)c1c(O)[nH]c2ccccc2c1=O 8994628 RVAWTAKMMXMGGU-UHFFFAOYSA-N 349.173 3.793 0 50 EHAA biogenic,in-vitro Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1 10343562 GYFMUPZOSINBHE-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA CC(=O)OCCCc1cccc(NCc2c(F)ccc(O)c2F)c1 225515149 UCUHWYBYJAUWON-UHFFFAOYSA-N 335.350 3.778 0 50 EHAA COc1ccc(OC)c2c(C)cc(NCC(C)(C)CN(C)C)nc12 23550209 LYGIDBSIKXEHDR-UHFFFAOYSA-N 331.460 3.560 0 50 EHAA CCOc1ncccc1Cn1cnc(-c2ccccc2)c1[C@H]1CCOC1 65495292 DEEJMCLGJWHLRN-SFHVURJKSA-N 349.434 3.896 0 50 EHAA Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C)CC2)no1 229785189 PIMXOBBSCTZDSA-KDOFPFPSSA-N 327.428 3.785 0 50 EHAA COc1ccc(C)nc1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 354914140 AZWDNWIXOCLNKI-CYBMUJFWSA-N 345.830 3.517 0 50 EHAA Cc1nccc(N2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 71707919 UWUVCPAUYBHERO-IBGZPJMESA-N 342.462 3.661 0 50 EHAA O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1CCn1ccnc1 77343298 JXLUUMZZNBOJHN-QGZVFWFLSA-N 334.423 3.516 0 50 EHAA CCC(CC)c1n[nH]c(=NC(=O)N2CC[C@H](C)C3(CCC3)C2)s1 357058023 QLMNYMUWIOAAMI-LBPRGKRZSA-N 336.505 3.908 0 50 EHAA NC(=O)CC[C@H]1CCCN(Cc2ccc(Oc3ccccc3)cc2)C1 72153246 YIZSDYLXVDLVNH-QGZVFWFLSA-N 338.451 3.956 0 50 EHAA O=C(CC[C@H]1CCNC1)N1CCc2cc(-c3cccc(F)c3)ccc21 261891458 TYPJUFHXFIEXTM-HNNXBMFYSA-N 338.426 3.772 0 50 EHAA CC(C)c1oc([C@H]2CCCN2C(=O)C[C@@H](C)N)nc1-c1ccccc1 261887104 SNROWYIXHAYFQT-GDBMZVCRSA-N 341.455 3.866 0 50 EHAA C[C@H](NC(=O)[C@H]1CCC(=O)C[C@H]1C)c1ccc(-c2cccnc2)cc1 128396435 NQKRZBDVZFKAEX-SIFCLUCFSA-N 336.435 3.931 0 50 EHAA COC[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccccn1 220199372 GVFXKJCOMXUIJG-KRWDZBQOSA-N 344.842 3.661 0 50 EHAA C[C@@H]1CCN(C(=O)Nc2nc(C3CCC3)cs2)C[C@@H]1n1ccnc1 283105977 WXTWLVROSPRQKH-DOMZBBRYSA-N 345.472 3.722 0 50 EHAA COCC[C@H]1CCCCN1C(=O)c1ccc(N2CCCCC2)cc1 220078617 FLODLBGDDFAEJY-LJQANCHMSA-N 330.472 3.708 0 50 EHAA CSc1cccc(CN(C)c2cc([C@@H]3CCOC3)nc(C)n2)c1 426444634 PLLJQDFOKCLDKI-OAHLLOKOSA-N 329.469 3.647 0 50 EHAA COc1ncc(C)cc1NC(=O)N1CCC(OCC2CCCC2)CC1 177888496 SEDMYKVHJJXYNH-UHFFFAOYSA-N 347.459 3.602 0 50 EHAA O=C(NCCc1ccc(Cl)s1)c1ccncc1Br 178081457 ATLIKQHCRSOZRI-UHFFFAOYSA-N 345.649 3.532 0 50 EHAA COc1ccccc1OC1CN(C(=O)c2cccc3cc(C)oc23)C1 92037847 YZKBEQSLSLJCEW-UHFFFAOYSA-N 337.375 3.653 0 50 EHAA CC(=O)c1cnc(NCc2csc(Cc3ccccc3)n2)nc1C 91677068 RYTYKPRJNROIFH-UHFFFAOYSA-N 338.436 3.647 0 50 EHAA O=C1N(CC2CCC2)CCC[C@@]12CCN(C/C=C/c1ccccc1)C2 91845502 ULHHNTMAPUHSRD-PXWJQCMDSA-N 338.495 3.814 0 50 EHAA Cc1cnn(CCC(=O)N2CCCCC[C@H]2c2cccc(F)c2)c1 244874553 XDCGTGWUGHVVJF-SFHVURJKSA-N 329.419 3.865 0 50 EHAA COc1cccc([C@H]2CN(C(=O)c3csc(C)c3C)CCO2)c1 180406133 VXDWAFAIPRLCEY-QGZVFWFLSA-N 331.437 3.587 0 50 EHAA C[C@H](c1cnccn1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 184628927 QCNAYWGTQWLYAL-KGLIPLIRSA-N 328.485 3.753 0 50 EHAA Cn1c(CNC(=O)N2CC(C)(C)C2(C)C)nc2cccc(Cl)c21 1325805882 BGGPFMPKZZQMQQ-UHFFFAOYSA-N 334.851 3.557 0 50 EHAA Cc1nc(CC(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)cs1 952968224 PCFQRDBJKOVUHF-QGZVFWFLSA-N 344.480 3.714 0 50 EHAA Cc1ccc2nc(CNCc3cc(CN4CCCC4)cs3)[nH]c2c1 952869650 KWYPNPGKXBSOEA-UHFFFAOYSA-N 340.496 3.818 0 50 EHAA CC[C@H](c1cccnc1)N(C)C(=O)CCC(=O)N(C)C1CCCCC1 952872072 IVKQAPOXMZOYTH-GOSISDBHSA-N 345.487 3.562 0 50 EHAA CCCCc1ncc(CN[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)[nH]1 952963653 LHJIAQYTXGZTII-RIWOBZSASA-N 331.504 3.562 0 50 EHAA FC(F)(F)[C@@H]1CCN1Cc1nnc(-c2cc3c(s2)CCCC3)o1 408519031 SZMXCAYXOFRODQ-LBPRGKRZSA-N 343.374 3.814 0 50 EHAA O=C(/C=C/c1cnc(-c2ccncc2)s1)c1csc(C(=O)O)c1 170657001 USLSQAVUJCQSKW-OWOJBTEDSA-N 342.401 3.861 0 50 EHAA C[C@H](NCc1cccnc1Oc1cccc(F)c1)c1ccnn1C 192666144 JRSVXEMKFNOKGE-ZDUSSCGKSA-N 326.375 3.597 0 50 EHAA O=C(O)C1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2F)CC1 669495743 KYMUWOHZCOFDGU-UHFFFAOYSA-N 342.370 3.821 0 50 EHAA Cc1cc(C(=O)N(C)CC=Cc2ccc(Br)cc2)on1 1857531796 DBAJFFZHCFYJNS-UHFFFAOYSA-N 335.201 3.531 0 50 EHAA Cc1noc(C)c1C(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 14981550 CXSWURFNBBKUAM-KRWDZBQOSA-N 348.406 3.556 0 50 EHAA Cc1ccc([C@@H](CNC(=O)c2ccccc2)N2CCC(C)CC2)o1 15860268 KAAUZUAMRWJEBV-GOSISDBHSA-N 326.440 3.791 0 50 EHAA O=C(c1ccc(F)c2occc12)N1CCCCC[C@H]1c1ncon1 935346498 OJHLJAMTZKLKLD-AWEZNQCLSA-N 329.331 3.712 0 50 EHAA O=C(NC[C@@H]1CCCSCC1)c1c[nH]nc1-c1ccc(Cl)cc1 1875348862 FILKSNUGJVHGBO-GFCCVEGCSA-N 349.887 3.993 0 50 EHAA COc1ccc(Br)cc1CNCCc1ccc(F)cc1 19720528 BFINAPLDWILSNA-UHFFFAOYSA-N 338.220 3.929 0 50 EHAA Cc1cc(NC(=O)[C@@H](OC2CCOCC2)c2ccccc2)cnc1C 893814821 MOFSCRDRSWMDDQ-IBGZPJMESA-N 340.423 3.574 0 50 EHAA O=C(NCC[C@@H]1CCC(F)(F)C1)N[C@@H]1CCO[C@H]1c1ccccc1 896071319 KOAWQZAYEWUVOK-IMJJTQAJSA-N 338.398 3.641 0 50 EHAA CC(C)c1noc(CC2CCN(c3ncnc4sccc34)CC2)n1 1775988661 XPTVJBJYIMCFJD-UHFFFAOYSA-N 343.456 3.657 0 50 EHAA Cc1cc(NC(=O)[C@@H](N)Cc2cccs2)ccc1-c1cccnc1 2325856360 MHYMXZNQSIDDOQ-SFHVURJKSA-N 337.448 3.627 0 50 EHAA O=C(CCN1CC[C@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 3087481 GZIISXIDAZYOLI-SFHVURJKSA-N 337.419 3.520 0 50 EHAA biogenic,in-man CCOC(=O)CCCC[C@@H]1CC[C@@H](CCCCC(=O)OCC)O1 6349713 KVZYJJWURIJBAX-HZPDHXFCSA-N 328.449 3.781 0 50 EHAA CSc1ccccc1NC(=O)CCC(=O)NCC1=CCCCC1 55053214 APXNDWJLDXQNDZ-UHFFFAOYSA-N 332.469 3.744 0 50 EHAA O=c1c2cc(Br)ccc2[nH]c(=S)n1Cc1ccccc1 101093699 YOPJMKIQSXAMSG-UHFFFAOYSA-N 347.237 3.870 0 50 EHAA Cc1cc(Cl)c(NC(=O)N2CC[C@H](n3cccn3)C2)cc1Cl 463650147 PEDHOGXMXDCVFX-NSHDSACASA-N 339.226 3.977 0 50 EHAA COc1cc2c(cc1[C@@H]1CC(=O)Nc3c1c(C(C)C)nn3C)CCC2 65453778 LQDUNWSXNZJDGG-HNNXBMFYSA-N 339.439 3.515 0 50 EHAA Cc1ccc([C@@H](NC(=O)CCc2ccc(O)cc2)c2ccncc2)cc1 67540726 CQLXLUHKINWENV-JOCHJYFZSA-N 346.430 3.934 0 50 EHAA O=C(O)c1cccc(Nc2ncc(F)c(Nc3ccc(O)cc3)n2)c1 170621835 MUCJXTRCUZYBGR-UHFFFAOYSA-N 340.314 3.507 0 50 EHAA CC(C)(C)n1cc(C(=O)N2CCCCC[C@@H]2C2CCCCC2)nn1 252496991 PXFHEUBQJOYYKB-QGZVFWFLSA-N 332.492 3.998 0 50 EHAA O=C1CC[C@]2(CCCN(Cc3ccoc3)C2)CN1Cc1ccccc1 72412491 UQFBLZSKCCQZCK-NRFANRHFSA-N 338.451 3.684 0 50 EHAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2oc3c(c2c1)CCCC3 4788688 VLLLKBSANCJDDA-CABCVRRESA-N 339.391 3.917 0 50 EHAA CC[C@@H](C)OC(=O)C1=C(C)NC(=O)C[C@@H]1c1c(F)cccc1Cl 6819436 WWTILYJWFQVYEZ-KOLCDFICSA-N 339.794 3.698 0 50 EHAA CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccccc2F)CC(=O)N1 6819407 IOJRYLWVTGSZRJ-MRXNPFEDSA-N 345.414 3.827 0 50 EHAA N[C@H](CNC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccccc1 152109712 MWHDABBJDNXTAM-HZPDHXFCSA-N 336.357 3.539 0 50 EHAA CC(C)(C)c1ncc(NC(=O)N2CCC[C@H]2c2ccncc2)cn1 171317617 MWFNSYHNLYULPB-HNNXBMFYSA-N 325.416 3.538 0 50 EHAA COc1ccc(-c2ccc3c(=O)n(-c4ccccc4)[nH]c3n2)cc1F 31819791 ZKWWHRAEAVVVOP-UHFFFAOYSA-N 335.338 3.529 0 50 EHAA Cc1nc(CO[C@@H]2CCN(c3ccnc4ccccc34)C2)cs1 377180385 SGGCGASZZZVQGY-OAHLLOKOSA-N 325.437 3.795 0 50 EHAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)Nc1ccc2c(c1)OCO2 240555586 GWMFUHZJDVLGRT-UHFFFAOYSA-N 337.379 3.951 0 50 EHAA O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccc(F)c1 44892013 IMVYXIUFYALEKB-MRXNPFEDSA-N 325.343 3.806 0 50 EHAA Cc1cc(C)nc(S[C@@H](C(=O)NC2CCCC2)c2ccccc2)n1 44790652 YIEMGBZHJKMFGP-QGZVFWFLSA-N 341.480 3.986 0 50 EHAA CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 176052078 QEQAYCJLMWZQTM-QGZVFWFLSA-N 327.428 3.954 0 50 EHAA Cc1cc(NCc2c[nH]c3nccnc23)cnc1N1CCCC[C@@H]1C 290986168 ZEDSPXLGOCZIIL-AWEZNQCLSA-N 336.443 3.652 0 50 EHAA COc1cccc(-c2ccc(NC(=O)N3CCCC[C@@H]3CN)cc2)c1 97745080 XXQRATPWPXPWML-GOSISDBHSA-N 339.439 3.707 0 50 EHAA Cc1nnc([C@@H](C)NC(=O)c2ccc(-c3ccccc3Cl)o2)o1 91724882 ABLLIHABBPEMGL-SECBINFHSA-N 331.759 3.782 0 50 EHAA COCC1(NC(=O)Nc2cc(C)nn2-c2ccccc2C)CCCC1 96179542 MLYYRNRXHBWLCS-UHFFFAOYSA-N 342.443 3.570 0 50 EHAA CC1=C(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)CCCO1 179240348 XENBHUJGOITGMK-UHFFFAOYSA-N 343.452 3.919 0 50 EHAA CCOc1cccc2[nH]cc(CC(=O)N3CC[C@@]4(C)[C@H](C3)C4(F)F)c12 292889527 QHEOXKJLKHNQFG-YJBOKZPZSA-N 348.393 3.613 0 50 EHAA Cc1ccc(F)cc1NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1 294294598 ICWSCMHIYIKWDS-UHFFFAOYSA-N 329.375 3.766 0 50 EHAA CC(C)c1nc(/C=C/c2cncc(Br)c2)ncc1C(=O)O 184756405 WDSYPPBKPMQPTJ-ONEGZZNKSA-N 348.200 3.626 0 50 EHAA O=C(C(c1ccccc1)c1ccccc1)N1CC[C@H](O)C12CCCC2 297674829 DHGYKYVYFHHSCZ-IBGZPJMESA-N 335.447 3.725 0 50 EHAA CN=c1[nH]c(C)c(-c2ccc(C(=O)N3CCCCCCC3)cc2)s1 534665545 AUPIPCNSJGCCTJ-UHFFFAOYSA-N 343.496 3.988 0 50 EHAA CSCc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)nc1 534589481 TXXJUPLFNVWFKY-KRWDZBQOSA-N 342.464 3.520 0 50 EHAA Cc1ncsc1CN1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 1565528659 APIZOVJDQRCLEK-MSOLQXFVSA-N 327.497 3.548 0 50 EHAA O=C(N1CCC[C@@H]1c1csc(-c2cccc(O)c2)n1)C(F)(F)F 170084259 OBUMDSGEZTVDOJ-GFCCVEGCSA-N 342.342 3.742 0 50 EHAA CC(C)c1nnc2ccc(NC(=O)c3cccc4ncccc34)cn12 189229349 YXXRWTNMIRKRFP-UHFFFAOYSA-N 331.379 3.653 0 50 EHAA COc1cccc(NC(=O)N2CC3(CCOCC3)c3ccccc32)c1 191139956 BPGUHZBFXHYCHO-UHFFFAOYSA-N 338.407 3.796 0 50 EHAA CCOC(=O)C1CCC(O)(CN[C@H](C)c2ccc(Cl)s2)CC1 191445491 JFBKRASWHWXNLZ-OPGSHWCFSA-N 345.892 3.537 0 50 EHAA C[C@H](C1CC1)n1cc(NC(=O)NCc2ccc3ncccc3c2)cn1 193881876 QQJJZOIZTURGRX-CYBMUJFWSA-N 335.411 3.724 0 50 EHAA C[C@@H](C1CC1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)n1C 194116996 VDLCKWJXQFSAMT-INIZCTEOSA-N 347.462 3.734 0 50 EHAA O=C(C1CCC1)N1CCCN(Cc2[nH]c3ccccc3c2Cl)CC1 1772815612 WQVHIMOCGMGCEV-UHFFFAOYSA-N 345.874 3.656 0 50 EHAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc(C2CCCCC2)s1 1772706209 RAQBBECMZXFYAF-GDBMZVCRSA-N 332.513 3.991 0 50 EHAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(C[C@@H](C)CC)CC1 12201171 SGRJOSYMLHNEBW-KRWDZBQOSA-N 347.499 3.929 0 50 EHAA CC(C)C(=O)N[C@H](N(C)Cc1ccccc1)C(Cl)(Cl)Cl 19316209 XAZISZIZVDIHFU-CYBMUJFWSA-N 337.678 3.587 0 50 EHAA CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(O)c(OC)c2)C1=O 4472175 CSZDWJVYHVIMIT-LQGZHCLWSA-N 341.816 3.889 0 50 EHAA Cc1oc2ccccc2c1CC(=O)N1CCC(OC2CCC2)CC1 416255279 CTOQEERPDNYSIF-UHFFFAOYSA-N 327.424 3.844 0 50 EHAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(CO)(Cc2ccccc2)CC1 412291942 LKIJXFAEEXZESD-RTWAWAEBSA-N 349.474 3.634 0 50 EHAA COc1ccc(-c2cc(C(=O)N3CC[C@H](N)C[C@H]3C)sc2C)cc1 237405390 MMKCNJJZBXDGAV-DOMZBBRYSA-N 344.480 3.684 0 50 EHAA CCOC[C@@H]1CCCCN1C(=O)Nc1cnn(CCC(C)C)c1C 459464003 LNKJHGGFRIAOCB-INIZCTEOSA-N 336.480 3.661 0 50 EHAA CCn1ncc(CN2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)c1C 247860466 ZZJQBJCMYNBGQF-YADHBBJMSA-N 349.478 3.715 0 50 EHAA CC(=O)N1C[C@@H](C)CN(C(=O)c2ccoc2Cl)c2ccccc21 365015869 JGHGBWHOMCKESI-LLVKDONJSA-N 332.787 3.582 0 50 EHAA Cc1occc1CN[C@@H](CC(=O)O)c1cccc(Br)c1 901607942 FUUJVTMEZOWXEU-AWEZNQCLSA-N 338.201 3.656 0 50 EHAA O=C(O)C12CCC(C(=O)N3CCC[C@@](F)(c4ccccc4)C3)(CC1)C2 910338036 QSEHGNYWFIEIBG-MHJFOBGBSA-N 345.414 3.509 0 50 EHAA C[C@@H](NC[C@@H]1CCc2cc(F)ccc21)c1nc(O)c2ccccc2n1 1875307376 CQIXPXKGZZCNHP-OCCSQVGLSA-N 337.398 3.855 0 50 EHAA Cc1c[nH]c2ccc(NC(=O)C[C@@H](n3cccn3)C(F)(F)F)cc12 1775984773 NYGBFHJFOANHRD-CQSZACIVSA-N 336.317 3.805 0 50 EHAA Fc1ccc2nc(C(F)F)nc(N[C@H]3CCNC4(CCC4)C3)c2c1 900022273 QTZSUEWNBJBKGU-NSHDSACASA-N 336.361 3.793 0 50 EHAA Cc1ccc(C)c(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCO2)c1 1422638 SBWNSRQEGUTZHX-SFHVURJKSA-N 338.407 3.673 0 50 EHAA CC[C@H](NC[C@@H]1CCC(F)(F)CO1)c1cc(OC)cc(OC)c1 2325793731 GCCMMUKZGUFUQZ-BBRMVZONSA-N 329.387 3.559 0 50 EHAA C[C@H](NC(=O)Cc1cnc(C2CC2)[nH]1)c1csc2ccccc12 2325816571 AXUKRPFIJBCXEI-NSHDSACASA-N 325.437 3.922 0 50 EHAA CC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 60031 JYUNEFBCZHQKAH-UHFFFAOYSA-N 333.185 3.660 0 50 EHAA CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 358087 DRMUUEIDKLCXQK-UHFFFAOYSA-N 332.812 3.669 0 50 EHAA CC(=O)c1cccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1 470613 NVFLALCYZBFWFA-UHFFFAOYSA-N 331.437 3.889 0 50 EHAA O=c1c2ccccc2ncn1CCOc1cc(Cl)ccc1Cl 614116 FNEVDISPVYRYNI-UHFFFAOYSA-N 335.190 3.782 0 50 EHAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)s1 1052427 NWYDYWIKCRKCTG-UHFFFAOYSA-N 340.198 3.534 0 50 EHAA N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)O 2510584 FTZFICPDLOOUKO-OAHLLOKOSA-N 340.206 3.527 0 50 EHAA in-vitro Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccc2)CC1 2737326 ILVYSJMITVYLFY-UHFFFAOYSA-N 347.418 3.612 0 50 EHAA COc1ccc2[nH]cc(CCNCc3ccc(OC)c(OC)c3)c2c1 4342641 HPVMOMBUJGGQOG-UHFFFAOYSA-N 340.423 3.526 0 50 EHAA Cc1cccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 4838028 UQPPKQBYTCMPBE-UHFFFAOYSA-N 328.843 3.919 0 50 EHAA CCOc1ccccc1CNC(=O)NC12CC3CC(CC(C3)C1)C2 5673808 LJAOVAHJFKVTOY-UHFFFAOYSA-N 328.456 3.853 0 50 EHAA Cc1cccc(CN2CCC(CO)(CCCc3ccccc3)CC2)n1 11661999 KARVQLDHMGWDMX-UHFFFAOYSA-N 338.495 3.987 0 50 EHAA Cc1ncsc1CCCNc1ccc(-c2nc(C3CC3)no2)cn1 20452686 CYAPYTJJXFSOSS-UHFFFAOYSA-N 341.440 3.819 0 50 EHAA O[C@@H](COCc1ccccc1)CSc1nc2ccccc2s1 23115187 OZKXBTCQDCKTAJ-AWEZNQCLSA-N 331.462 3.966 0 50 EHAA c1ccc(-c2noc3c2CN(Cc2cccc4c2OCO4)CC3)cc1 23128978 IBMQVGOZDAUIME-UHFFFAOYSA-N 334.375 3.629 0 50 EHAA C[C@H]1CCc2c(sc3ncn([C@@H](C)Cc4cccnc4)c(=O)c23)C1 32577794 IEDUBZLQTRUNES-STQMWFEESA-N 339.464 3.782 0 50 EHAA Cc1nc(C(=O)N(C)Cc2csc(-c3ccccc3)n2)cs1 65396558 QLRYBZXIYHWHLV-UHFFFAOYSA-N 329.450 3.847 0 50 EHAA C[C@@H](c1ccc(-c2ccc3cc[nH]c(=O)c3c2)cc1)N1CCOCC1 65429302 CDAVERRQIONXAY-HNNXBMFYSA-N 334.419 3.588 0 50 EHAA CN(C)Cc1ccccc1Oc1cc(C(=O)N2CCCCC2)ccn1 67974865 KIFJADBKBOXGJI-UHFFFAOYSA-N 339.439 3.562 0 50 EHAA Cc1cc(C(=O)N(C)[C@H](C)c2nc(C)sc2C)c2c(C)noc2n1 71771901 FCNYABMYLJARKB-SNVBAGLBSA-N 344.440 3.746 0 50 EHAA CC(C)c1cc(C(=O)N2CCC(Oc3ccccc3F)CC2)no1 77437748 HORLIFSJXXOYIA-UHFFFAOYSA-N 332.375 3.621 0 50 EHAA CCCc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)no1 77485758 APGMJLGIFVJVIO-KRWDZBQOSA-N 338.411 3.789 0 50 EHAA c1ccc(-c2ccc(N3CCC(CCn4cccn4)CC3)nn2)cc1 77555318 SJNPMFSOHFSCOW-UHFFFAOYSA-N 333.439 3.647 0 50 EHAA COCCC[C@H]1CCCCN1C(=O)c1ccccc1OC(F)F 82114427 FIVXIZXIZUMMHB-CYBMUJFWSA-N 327.371 3.709 0 50 EHAA Cc1ccc([C@@H](Cn2cc(-c3cccc(F)c3C)nn2)N(C)C)o1 91440180 CDHCAZBGFKVEMV-QGZVFWFLSA-N 328.391 3.597 0 50 EHAA O=C(c1cn2ccsc2n1)N(Cc1ccc2[nH]ccc2c1)C1CC1 91756918 OKNVNJKFNADMLF-UHFFFAOYSA-N 336.420 3.682 0 50 EHAA Cc1ccc(CN(C)C(=O)Nc2ccnn2C[C@@H]2CC=CCC2)o1 96136210 BCPKRZAMAKQSCD-OAHLLOKOSA-N 328.416 3.805 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)c2cnc3snc(C)c3c2)cc1F 121700353 PRKAGKYRAUTJCI-SNVBAGLBSA-N 329.400 3.938 0 50 EHAA CC(C)Cn1cc(C(F)F)c(C(=O)N[C@@H]2CCOc3ccccc32)n1 179251733 UNJSGQOVUBBLDH-CQSZACIVSA-N 349.381 3.730 0 50 EHAA CSCCCCC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 181013408 BWXAMPOTWOOTIZ-ZBFHGGJFSA-N 345.867 3.959 0 50 EHAA CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[C@H]1CCCCO1 181824881 XLYVMYBTTVBVGO-OAHLLOKOSA-N 344.377 3.806 0 50 EHAA O=C(N[C@H]1[C@@H]2c3ccccc3CC[C@H]21)c1cccnc1C(F)(F)F 188420138 IVZMCKPYMRPRNT-BPLDGKMQSA-N 332.325 3.559 0 50 EHAA CCc1nc(C)sc1CN1C[C@@H]2CC[C@H](C1)CN2CC=C(C)C 219914154 USCDOZHYZNHJED-SJORKVTESA-N 333.545 3.876 0 50 EHAA O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cccc2nonc12 225795398 WJRFDQUPYZKNEO-UHFFFAOYSA-N 333.347 3.639 0 50 EHAA CSc1ncc(CN2CCC[C@H](Cc3ccc(F)cc3)C2)cn1 230501260 ZOESAXVWTIPQAC-OAHLLOKOSA-N 331.460 3.792 0 50 EHAA C[S@](=O)Cc1cccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1 247078771 CWKLWHYVWNCNFM-CDEUHXGRSA-N 349.402 3.586 0 50 EHAA CC[C@H](c1ccccc1OC)N(C)c1ncncc1Br 253427036 BYUIZEMMDIJVAZ-CYBMUJFWSA-N 336.233 3.835 0 50 EHAA COc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cc1C(=O)O 261494727 AOOSPGPDJSCABG-UHFFFAOYSA-N 332.665 3.523 0 50 EHAA O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCCC[C@H]1c1ncc[nH]1 281680986 ZSVNRJIDGCWYJS-XIRDDKMYSA-N 342.418 3.732 0 50 EHAA Cc1cc(CO)oc1C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 283482246 QABRQBZCZHJPCJ-LBPRGKRZSA-N 336.457 3.802 0 50 EHAA Cc1nc(C)c(C(=O)N(C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)o1 288094349 HPPLLDHPPKREMX-JKSUJKDBSA-N 328.412 3.610 0 50 EHAA CCCc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(COC)o2)o1 293350412 BGWQUIGKDDIFLC-AWEZNQCLSA-N 332.400 3.652 0 50 EHAA Cc1nn(C)c(C)c1NC(=O)N[C@H](C)c1ccccc1C(F)(F)F 299770316 PQRSNPLFZNDFIS-SECBINFHSA-N 340.349 3.938 0 50 EHAA CC(C)(CCCO)CNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 376943516 AAENJVOZKRZALK-OTWHNJEPSA-N 344.499 3.763 0 50 EHAA O=C(N[C@@H]1CCc2c(O)cccc21)N1CCc2cccc(Cl)c2C1 655607409 XCOJYOOUKINKQT-QGZVFWFLSA-N 342.826 3.801 0 50 EHAA C[C@](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)(C(=O)O)c1ccccc1 864115313 RFYFHJOXMGHOFN-CBGDNZLLSA-N 337.419 3.687 0 50 EHAA CC(C)c1ccc(CN2CCC[C@H](S(=O)(=O)O)C2)c(C(C)C)c1 888095904 DYHHGONHFGHEAR-KRWDZBQOSA-N 339.501 3.786 0 50 EHAA CN1CCC[C@@H](c2nnc3sc(-c4cccc5ccccc45)nn23)C1 951727077 YYKQYGHICBWCIT-CQSZACIVSA-N 349.463 3.815 0 50 EHAA Cc1ccccc1Nc1nc(CN2CC[C@H](CO)C[C@@H]2C)cs1 952845954 SXBHPOALSFNNCT-GJZGRUSLSA-N 331.485 3.788 0 50 EHAA CCCc1cnc(C)nc1N1CCC2(CC1)OCCc1ccsc12 1704325099 IGLFJYQZGIYREX-UHFFFAOYSA-N 343.496 3.867 0 50 EHAA 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3.611 0 50 EHAA Cc1ccc(CSC(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 38607474 VZGFBWQZOIKMRJ-MRXNPFEDSA-N 329.421 3.634 0 50 EHAA CC(C)Cn1cc(CN2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cn1 328593390 OOGHYNMDFYQIHA-HLIPFELVSA-N 327.472 3.890 0 50 EHAA O=C([C@@H]1C[C@H]1c1cccnc1)N(Cc1ccsc1)c1cccnc1 253431947 IJQLBPWAPGJRNA-ZWKOTPCHSA-N 335.432 3.875 0 50 EHAA COc1ccc(-c2nccn2C[C@H](C)Oc2cccnc2)c(F)c1F 71524568 YBAYFSGSZPWPBG-LBPRGKRZSA-N 345.349 3.699 0 50 EHAA Cc1noc(C)c1[C@@H]1CCCN1Cc1c(Cl)nc2sccn12 71614291 XCQNJYZIWYUCDW-NSHDSACASA-N 336.848 3.991 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c(C)o1 72438671 PNUQCTYBFFDNQL-MRXNPFEDSA-N 327.359 3.889 0 50 EHAA CC(C)C[C@@H](NC(=O)c1cccc(-c2ccco2)c1)c1ncnn1C 220491787 LGTSJNHFTJZXFX-MRXNPFEDSA-N 338.411 3.592 0 50 EHAA O=C(NCCCCN1CCCCCC1)c1ccccc1OC(F)F 221377681 WCLZHJYPYVBIKE-UHFFFAOYSA-N 340.414 3.674 0 50 EHAA C[C@H](CCn1cccn1)NC(=O)N(Cc1ccccc1)CC1CCC1 426662513 VHSMSLOQLKKLAY-QGZVFWFLSA-N 340.471 3.674 0 50 EHAA COc1ccc2c(c1)c(C(=O)N[C@@H]1CCc3ccccc31)c(C)n2C 426387325 SZMKZFJLBGVCCE-GOSISDBHSA-N 334.419 3.913 0 50 EHAA CCOc1cc2c(cc1OCC)[C@@H](c1c(F)cccc1F)NCC2 20506817 IKWUIQMKXXXZTJ-IBGZPJMESA-N 333.378 3.997 0 50 EHAA Cc1ccc(CN(Cc2ccncc2)C(=O)c2ncoc2C)s1 97522599 BWMZPQJZUPVXOD-UHFFFAOYSA-N 327.409 3.591 0 50 EHAA CCOCc1nc(-c2ccccc2C(C)=O)n(Cc2ccccc2)n1 95385064 OEJNRGPNHCHHRZ-UHFFFAOYSA-N 335.407 3.733 0 50 EHAA Cc1cc(C)c(NC(=O)N(C)CC[C@H](O)c2ccccc2)c(C)n1 95519128 WXSMZTFSTRQRGZ-KRWDZBQOSA-N 327.428 3.594 0 50 EHAA O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCN(Cc2ccccc2)C1 244716172 LJUBZYBTULGBAP-FQEVSTJZSA-N 335.451 3.571 0 50 EHAA C[C@H](NC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F)c1cccnc1 297598387 FPERINFYSMDCIX-OBJOEFQTSA-N 329.366 3.953 0 50 EHAA FC(F)(F)c1cccnc1CN[C@H]1CCCO[C@@H]1c1ccncc1 299743512 NXQMMVNBPFHFEV-GOEBONIOSA-N 337.345 3.505 0 50 EHAA CC[C@H](NC(=O)CCc1ccc(N(C)C)cc1)c1cccc(C)n1 299757775 BEIBHAAPYWMADB-SFHVURJKSA-N 325.456 3.656 0 50 EHAA CC(C)(Cc1ccc(O)cc1)C(=O)N1CCC=C(c2ccncc2)C1 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EHAA CC(C)c1cc(NC[C@H](c2cccnc2)N2CCCCC2)ncn1 1772712169 ORJFYBQSLJTUDB-GOSISDBHSA-N 325.460 3.634 0 50 EHAA C[C@@H](COc1ccccc1)N1CCC(CCC(=O)N2CCCC2)CC1 12716308 BHSCPRMWHSJQHN-SFHVURJKSA-N 344.499 3.569 0 50 EHAA CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 13674453 SGDWVCLZHAWTHR-UHFFFAOYSA-N 341.816 3.548 0 50 EHAA Cc1scc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1C 16604234 LLEXAOZADRPXSJ-UHFFFAOYSA-N 328.481 3.759 0 50 EHAA CC(C)[C@@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1nc2ccccc2[nH]1 206235669 AQGVKFQXLCPJHS-QGZVFWFLSA-N 349.394 3.673 0 50 EHAA CO[C@H]1COCC[C@@H]1n1ccnc1-c1ccc(CC(F)(F)F)cc1 1857705143 UVKGVVIGUAPMPD-GJZGRUSLSA-N 340.345 3.631 0 50 EHAA Cc1ccc(F)c(-c2nccn2[C@@H](CO)c2ccc(F)cc2)c1F 1875242778 BAJKROJQGJIAJH-HNNXBMFYSA-N 332.325 3.858 0 50 EHAA CC(C)c1cnc(NC(=O)c2cccn2Cc2ccncc2)s1 742124575 BQVRHZZROPJIOS-UHFFFAOYSA-N 326.425 3.764 0 50 EHAA CCC(CC)n1ncc(C(=O)N[C@@H]2c3cccc(F)c3O[C@@H]2C)c1C 240333678 FESAQEUZCQQZRW-PXAZEXFGSA-N 345.418 3.944 0 50 EHAA c1ccc(COC2CCCCC2)c(CNc2cncc3ncnn23)c1 1875287994 JDZKKBYZUWXHFN-UHFFFAOYSA-N 337.427 3.586 0 50 EHAA O=C(O)CC(F)(F)CC(=O)Nc1ccccc1Nc1ccccc1 2325853280 KJAMXNOGUNOMGY-UHFFFAOYSA-N 334.322 3.869 0 50 EHAA COc1cccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)c1 454060 LLTRMGSQMFNGEN-UHFFFAOYSA-N 334.828 3.784 0 50 EHAA COc1ccccc1NC(=O)Nc1nnc(-c2ccccc2F)s1 1245691 PMPAEYAEYUSWPN-UHFFFAOYSA-N 344.371 3.997 0 50 EHAA C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1 2854530 AMTUJCUMWOHNDB-HNNXBMFYSA-N 338.451 3.843 0 50 EHAA CCOc1cccc2sc(N(Cc3cccnc3)C(C)=O)nc12 4273240 XZJYUGBQWPMQSH-UHFFFAOYSA-N 327.409 3.643 0 50 EHAA O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 4731376 PHWXMWUQBLSUBM-UHFFFAOYSA-N 341.676 3.767 0 50 EHAA CCOc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1Cl 4837940 WOJPOSPVQOWFHB-NSHDSACASA-N 345.782 3.942 0 50 EHAA COc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2Cl)cc1OC 6726894 JXDXIORWNBSQQJ-SNVBAGLBSA-N 337.778 3.987 0 50 EHAA CCCc1cc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)[nH]n1 55109393 UCHXTIWLWUKYOA-KRWDZBQOSA-N 341.455 3.695 0 50 EHAA Cc1ccc(-c2cc(C(=O)NCCc3c[nH]c4ccccc34)[nH]n2)cc1 9421209 SUXIARKUBFHQTN-UHFFFAOYSA-N 344.418 3.839 0 50 EHAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)c2cncc(C)c2)c1 55270594 QBQPJMLPLXRJNQ-UHFFFAOYSA-N 345.830 3.778 0 50 EHAA CC(C)CC[C@H](C)NC(=O)c1cc(COc2cccc(F)c2)[nH]n1 67605734 ZBSQGFMKYGTTPF-ZDUSSCGKSA-N 333.407 3.682 0 50 EHAA Fc1ccc2c(c1)OCCC[C@H]2NCCc1ccc2c[nH]nc2c1 342807847 HTPUNFVPYLRCHH-QGZVFWFLSA-N 325.387 3.748 0 50 EHAA CC(C)(C)OC(=O)N1CCC(C(=O)c2c(F)cccc2F)CC1 405464620 CZMGIAXJIRGMPS-UHFFFAOYSA-N 325.355 3.795 0 50 EHAA CCOc1ccccc1-c1nc(CN(C)C[C@H]2CCCO2)c(C)o1 67935461 IWOOWWMIMOXVQH-OAHLLOKOSA-N 330.428 3.660 0 50 EHAA CC(C)(C)CN1CCC[C@@]2(CCN(Cc3cccc4c3OCO4)C2)C1 12072615 ICZJQRUEDXIZEF-NRFANRHFSA-N 344.499 3.749 0 50 EHAA C[C@@H]1[C@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1c1ccccc1 431520195 QIDSZPBIDDNILO-YSSFQJQWSA-N 338.426 3.524 0 50 EHAA CN1CCN(c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)CC1 65365013 CLEHXFDQZDQGQN-UHFFFAOYSA-N 344.846 3.736 0 50 EHAA c1nc(CN(Cc2cocn2)Cc2ccc([C@H]3CCCCO3)o2)co1 216208044 BKNOREVMXCVNSY-QGZVFWFLSA-N 343.383 3.700 0 50 EHAA CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc(O)ccc2Cl)C1 252498774 RKTXRTXNOHCIOJ-CYBMUJFWSA-N 338.879 3.676 0 50 EHAA Cc1cc2n[nH]cc2cc1NCc1cc(Br)ncc1F 328593687 YIWSTJNXKRRPJM-UHFFFAOYSA-N 335.180 3.780 0 50 EHAA Cc1ccc(OC(F)F)c(CNC[C@H](O)c2ccc(F)cc2F)c1 253404236 HUZLIYATALGNAC-HNNXBMFYSA-N 343.320 3.698 0 50 EHAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1 77407232 KGXPKQXMGUVENC-KRWDZBQOSA-N 331.847 3.930 0 50 EHAA C[C@H](CC(=O)c1ccco1)NC(=O)c1cc(F)c(F)cc1Cl 155390769 NPLIMHPFCQCQCN-MRVPVSSYSA-N 327.714 3.603 0 50 EHAA Fc1ccccc1-c1cc(NCc2nccs2)n2nccc2n1 72143646 DHCFBBLGLNUFFN-UHFFFAOYSA-N 325.372 3.604 0 50 EHAA COc1ccc(C(O)(c2ccc(OC)cc2)[C@H](N)c2ccccc2)cc1 71769239 FMXHUQVRXDIDLF-OAQYLSRUSA-N 349.430 3.640 0 50 EHAA Cc1ccc(Cn2nc(C)c(NC(=O)NC3CCCC3)c2C)cc1 13331404 AHVLSSHIUUPSMH-UHFFFAOYSA-N 326.444 3.921 0 50 EHAA Cc1ccccc1CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1 17071788 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Cn1nc(C2CC2)cc1NC(=O)N1CC[C@H](c2ccccc2Cl)C1 299799557 RYGQNOMMQOMXAX-ZDUSSCGKSA-N 344.846 3.972 0 50 EHAA CC[C@H](NC(=O)C(C)(C)Nc1ccc(OC)cc1)c1ccncc1 584899868 CZRGTSJCXVWNJO-KRWDZBQOSA-N 327.428 3.548 0 50 EHAA Cc1nc([C@H]2OCC[C@H]2CN[C@H](C)c2cc(C)c(C)cc2Cl)n[nH]1 685940065 HPFXLXOOZRNTEO-IFIJOSMWSA-N 348.878 3.812 0 50 EHAA CC(C)COc1cncc(N2CCC(C(=O)c3ccccc3)CC2)n1 301453251 AXNKXPVXKHRNPV-UHFFFAOYSA-N 339.439 3.611 0 50 EHAA Cc1ccc(C[C@H](C)NC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)s1 270601015 AQELCDXIVGURJW-BJJXKVORSA-N 338.517 3.880 0 50 EHAA O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@H]1CCCOC1 170787632 WSTMWXJWWPPRHH-HNNXBMFYSA-N 328.437 3.664 0 50 EHAA CCCCOc1ccc(C(=O)OC2([C@@H]3CCOC3)CC2)cc1OCC 744165544 NYFZKZXHAJERIW-MRXNPFEDSA-N 348.439 3.990 0 50 EHAA CC[C@H](C)N(Cc1ccsc1)C(=O)c1cc(C(C)(C)C)nc(O)n1 1506416156 ISTWYQDAUKNBTD-LBPRGKRZSA-N 347.484 3.982 0 50 EHAA CCc1c(C)sc(NC(=O)/C=C/c2ccc(F)cc2)c1C(N)=O 473736 KZHZXTVEBBXKMC-RMKNXTFCSA-N 332.400 3.509 0 50 EHAA COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1ccccc1F 5008750 CIESTXHIUOKQBG-XLIONFOSSA-N 338.382 3.704 0 50 EHAA Fc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 5041230 UTZOEIUUDJECTA-UHFFFAOYSA-N 343.471 3.777 0 50 EHAA Cc1nnc(CNC(=O)C[C@@H](c2ccccc2)c2ccccc2C)o1 11753866 NNJFROALGHGGBH-SFHVURJKSA-N 335.407 3.525 0 50 EHAA Cc1ccsc1C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 12076418 OPEIZTQATVDESH-LJQANCHMSA-N 329.465 3.514 0 50 EHAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCO2 12380845 HKVQGQCQZKWNMR-CYBMUJFWSA-N 335.359 3.975 0 50 EHAA O=C(c1cn(C2CCCCC2)nn1)N1CC[C@H](c2ccccc2F)C1 12582338 MKKDJIAMWVMIQN-AWEZNQCLSA-N 342.418 3.552 0 50 EHAA Cc1cccc(CN2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 19823624 VSYPBDDTFDLQTF-UHFFFAOYSA-N 328.843 3.606 0 50 EHAA O=C(NCCc1cccc2cc[nH]c12)c1c[nH]nc1-c1ccccc1F 1875261336 YSUMGELKKZOXLR-UHFFFAOYSA-N 348.381 3.670 0 50 EHAA C[C@@H](c1ccccc1)N1CC[C@]2(CCN(C(=O)Cc3ccco3)C2)C1 1875362144 SVYHUAKEQOCEIY-UWJYYQICSA-N 338.451 3.508 0 50 EHAA O=C(NC12CCC(C(=O)O)(CC1)CC2)c1cccc([C@H]2CC2(F)F)c1 1875304528 MQHYKVKFISXZDQ-RWBZWWBESA-N 349.377 3.717 0 50 EHAA Fc1ccc2nc(N[C@@H]3CCO[C@H]3c3cnn(CC4CC4)c3)oc2c1 894463262 FHNGNJZPBPVTAP-WBVHZDCISA-N 342.374 3.516 0 50 EHAA O[C@H](CN1CC[C@@H]2CCCC[C@H]21)c1ccc(F)c(Br)c1 2325742107 WVLHLNZVRLZIAT-IUIKQTSFSA-N 342.252 3.886 0 50 EHAA Cc1ccc2c(NC[C@H]3CN(C4CC4)C(=O)O3)ccnc2c1Cl 2325824762 PIUJKEUESDGIMR-LBPRGKRZSA-N 331.803 3.592 0 50 EHAA CC1(C)CN(Cc2csc(-c3cc4ccccc4o3)n2)CCN1 2325856540 UOLRECFWFBTJBY-UHFFFAOYSA-N 327.453 3.740 0 50 EHAA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1C 196266 SXPDCLSVCXTQRQ-MRXNPFEDSA-N 348.830 3.796 0 50 EHAA O=C(CSc1nc2ccccc2s1)OCC(=O)c1ccccc1 274388 ZKCHAKAJUHFASJ-UHFFFAOYSA-N 343.429 3.815 0 50 EHAA COc1ccc2c(c1)CCC1=C2NC(=S)N[C@H]1c1ccccc1F 439513 ILUGJUOGQXLINS-SFHVURJKSA-N 340.423 3.711 0 50 EHAA Fc1ccccc1CCNC1CCN(CCc2ccccc2)CC1 757653 LQERKHMCNKOQQA-UHFFFAOYSA-N 326.459 3.665 0 50 EHAA COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C)c1 2846017 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O=S(=O)(NCc1ccc(F)cc1)c1cc(Cl)ccc1Cl 2562063 CGRXHDDMQLFBAY-UHFFFAOYSA-N 334.199 3.611 0 50 EHAA Cc1cc(CNc2cc(-c3ccccc3)nc3c(C)c(C)nn23)n(C)n1 72475870 ITTHUVIEOLXUAY-UHFFFAOYSA-N 346.438 3.667 0 50 EHAA COC1(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)CCC1 252480480 CAXAVDWUOVUTIB-GFCCVEGCSA-N 345.361 3.764 0 50 EHAA C[S@](=O)c1cccc(NCc2sccc2Br)c1 230469665 SOWOVZBNKGLQNG-KRWDZBQOSA-N 330.272 3.860 0 50 EHAA COc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccncc2F)cc1 253392314 UIWBEKRJDUTKLH-UGSOOPFHSA-N 343.402 3.837 0 50 EHAA Cc1cc(N2CCO[C@@H](c3nccs3)C2)c2ccc(F)c(F)c2n1 253430838 OLKRFRSPIUGUHS-CQSZACIVSA-N 347.390 3.856 0 50 EHAA Fc1ccc(-c2cc(NCCc3cccnc3)n3nccc3n2)cc1 72474337 MBMHFQUXJLXTGO-UHFFFAOYSA-N 333.370 3.585 0 50 EHAA C[C@H](C(=O)Nc1c[nH]nc1-c1ccccn1)c1cccc(Cl)c1 362425975 ZBCSGCUMVAZDET-NSHDSACASA-N 326.787 3.867 0 50 EHAA Cc1ncc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)s1 366144372 NOYMRICRWAARQG-CYBMUJFWSA-N 327.409 3.960 0 50 EHAA COc1cccc([C@H]2CCN2Cc2cc3c(cc2C)OCCO3)c1 215193453 GFFRLNAHEBNSGK-GOSISDBHSA-N 325.408 3.722 0 50 EHAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 77406591 LXPBBASZZYLPKO-HXUWFJFHSA-N 333.431 3.910 0 50 EHAA CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2cnn([C@H]3CCCNC3)c2)CC1 333283533 MXBQFZYGHRDCTB-KURKYZTESA-N 346.519 3.532 0 50 EHAA Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](Cn4ccnc4)C3)cc2c1C 77485579 VKNFXLRWSJHKDB-INIZCTEOSA-N 336.439 3.534 0 50 EHAA O=C(NCc1ccccc1Cl)[C@H]1CCCN1C(=O)C1CCCCC1 47343670 INQFMRXSIGPNGX-QGZVFWFLSA-N 348.874 3.528 0 50 EHAA CC(=O)Nc1nc(CNc2ccn(-c3ccccc3Cl)n2)cs1 132109888 JGHPCHSFTVVEHW-UHFFFAOYSA-N 347.831 3.553 0 50 EHAA Cc1cc2cc(C(=O)NCCN3CCc4ccccc4C3)ccc2o1 91746594 GQEXTXIPBCQNCN-UHFFFAOYSA-N 334.419 3.529 0 50 EHAA Cc1c(CNC(=O)[C@@H](c2cccnc2)N2CCCC2)oc2ccccc12 95498146 ZUKMNJWSOYGNHF-HXUWFJFHSA-N 349.434 3.590 0 50 EHAA CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)Cc1ccccc1F 239782447 CORIWEXTDCYDOG-UHFFFAOYSA-N 332.400 3.663 0 50 EHAA Clc1ccc2c(c1)C=C(CN1CCC(c3cc[nH]n3)CC1)CO2 92810708 POHORRFYNWUYKQ-UHFFFAOYSA-N 329.831 3.719 0 50 EHAA CCc1cccc(OC2CN(C(=O)c3cccc4cccnc34)C2)c1 91780543 RDFMSBNYZKMMKU-UHFFFAOYSA-N 332.403 3.701 0 50 EHAA O=C(c1cn2cc(Cl)ccc2n1)N1CCCC[C@H]1c1cccnc1 97711845 DJQJCDCMQWUOLE-INIZCTEOSA-N 340.814 3.750 0 50 EHAA COCCN(Cc1ccc(F)cc1)Cc1noc(C2CCCC2)n1 244795222 RBUZWXMCSROFPY-UHFFFAOYSA-N 333.407 3.515 0 50 EHAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2C(=O)C[C@@]2(C)C(=O)CC[C@H]32)C1 253612530 VEIFMBQHUYNEPN-LJWWNLCISA-N 346.467 3.709 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 250747622 MWJQKDSXKRYMDW-GXYBRJDSSA-N 334.202 3.551 0 50 EHAA O=C(C[C@H](c1ccsc1)n1cccc1)Nc1nnc(C2CC2)s1 263587757 KWNCMLLXSGQVOP-CYBMUJFWSA-N 344.465 3.897 0 50 EHAA Cc1ccccc1[C@@H](NC(=O)NC1(CO)CCCC1)c1ccccc1 584897542 YMPZYAXDCPCSJF-IBGZPJMESA-N 338.451 3.689 0 50 EHAA Cc1cnccc1C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 670467175 NOVUISCHOABHNX-HXUWFJFHSA-N 337.467 3.737 0 50 EHAA COCC[C@@H]1CCN(C(=O)c2cnc(C3CC3)o2)c2ccccc21 1337891511 HWRMRJGXUQPIGH-ZDUSSCGKSA-N 326.396 3.723 0 50 EHAA CCSc1ccccc1NC(=O)CCn1nc(C)c(C(C)=O)c1C 952971555 UMSGBLFWPAKPOW-UHFFFAOYSA-N 345.468 3.843 0 50 EHAA CN1CCc2cc(C(=O)N[C@H]3CCSc4c(F)cccc43)ccc21 170601220 RJZJQSBLYAEOTJ-INIZCTEOSA-N 342.439 3.785 0 50 EHAA CCOc1ccccc1NC(=O)c1c(F)c(F)c(OC)c(F)c1F 12651447 HHLNEERYTJHOHI-UHFFFAOYSA-N 343.276 3.903 0 50 EHAA O=C1N(Cc2ccc(F)cc2)CCC[C@]12CCN(C1CCCC1)C2 12750449 BKGWYJLCZKKDNU-HXUWFJFHSA-N 330.447 3.583 0 50 EHAA O=C(CCC1CCN(C/C=C/c2ccc(F)cc2)CC1)N1CCCC1 14980668 WHOABUVMZYVSCR-ONEGZZNKSA-N 344.474 3.954 0 50 EHAA CC[C@H](C)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 19809245 PGBLKVWWLWQLHW-SFHVURJKSA-N 336.479 3.761 0 50 EHAA CSc1ccc2cc(-c3nccn3C[C@H]3CCCO3)c(O)nc2c1 1857687998 ORRJLVRXYXAZLE-CYBMUJFWSA-N 341.436 3.705 0 50 EHAA COc1ccc(CN2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)cc1Cl 247885271 KMONYNZSWVZJND-CVEARBPZSA-N 345.826 3.649 0 50 EHAA CCc1ccc([C@@H]2CCCCN2C(=O)c2cc(C(F)F)ncn2)o1 933451231 KLCLQLREVRFSLI-AWEZNQCLSA-N 335.354 3.937 0 50 EHAA CC(C)c1ccc(C(=O)N2CC[C@@H](CC(=O)O)c3ccccc32)cn1 1875292141 YHFFGEWEEMAFJG-AWEZNQCLSA-N 338.407 3.814 0 50 EHAA O=C(O)[C@@H]1C=CCN(Cc2cccc(Oc3ccc(F)cc3)c2)C1 1875357149 ZXUQLNQIHRLYJH-OAHLLOKOSA-N 327.355 3.691 0 50 EHAA CC1(C)CC(NC(=O)COc2ccc(C(C)(C)C)cc2)CC(C)(C)N1 4256796 XBBAQOLJXVUVRN-UHFFFAOYSA-N 346.515 3.788 0 50 EHAA Cc1ccc(-c2cc(=O)n3c(-c4ccccc4F)nnc3s2)cc1 4751566 ZGSKDHAMGGDRAP-UHFFFAOYSA-N 337.379 3.933 0 50 EHAA Clc1cc(Cl)c2c(c1)CC[C@H]2NC[C@H]1CCC2(COC2)O1 2325765171 PIXPXCGKSMLHIU-TZMCWYRMSA-N 328.239 3.518 0 50 EHAA Cc1ccc(-c2noc(-c3cc(C[C@H]4CCCCN4)on3)n2)cc1F 2325771007 MITVDJKYOMPRIK-CYBMUJFWSA-N 342.374 3.524 0 50 EHAA CC(=O)N(C)c1cccc(NCc2cnc(Br)s2)c1 2325873008 VGNRIZZZSICBTI-UHFFFAOYSA-N 340.246 3.500 0 50 EHAA c1cncc(COc2ccc(-c3noc([C@@H]4C[C@H]5CC[C@H]4O5)n3)cc2)c1 110593091 IXFZOZQIZHKGQH-KZNAEPCWSA-N 349.390 3.746 0 50 EHAA O=C(Nc1nc(-c2ccccc2)nc2c1C(=O)CCC2)c1ccccc1 103659 IXRBFAXEQBESED-UHFFFAOYSA-N 343.386 3.915 0 50 EHAA Cc1nc2ccccc2c(=O)n1CCNc1cccc2ccccc12 274138 XHYUKFFAXHHTPV-UHFFFAOYSA-N 329.403 3.970 0 50 EHAA CCc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1 360588 AWFVJKOIAANMOB-UHFFFAOYSA-N 344.842 3.991 0 50 EHAA O=C(Nc1ccccc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 439312 GYKRSNCPNYEJPN-UHFFFAOYSA-N 342.354 3.740 0 50 EHAA CN(C)[C@H]1CC[C@@H](CNC(=O)CCCc2c[nH]c3ccccc23)CC1 2356136138 HYUHSIHSFTWKNB-MAEOIBBWSA-N 341.499 3.727 0 50 EHAA Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1cccc(C)c1C)C(=O)N2 4115920 IKQANOOXZICCOW-SFHVURJKSA-N 337.423 3.682 0 50 EHAA O=C(CSCc1ccccc1Cl)Nc1ccc(C(=O)O)cc1 4825648 WVTRGYXWTBOEJC-UHFFFAOYSA-N 335.812 3.910 0 50 EHAA Cc1ccc(Cl)c(-n2nnc(C(=O)Nc3ccccc3F)c2C)c1 8022336 SHWCQIJJKVIBMJ-UHFFFAOYSA-N 344.777 3.929 0 50 EHAA O=C(c1ccccc1Oc1ccccc1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 412801832 GJHZFIQTEOSDGE-ULQDDVLXSA-N 337.419 3.712 0 50 EHAA COc1ccc([C@@H]2CC(=O)[C@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 55433730 LUPLWIXSMMGDLK-GMVOTWDCSA-N 325.408 3.685 0 50 EHAA O=C(c1csc(-c2ccccn2)n1)N(CC1CC1)c1cccnc1 135587021 GARRCQDOSDPPHD-UHFFFAOYSA-N 336.420 3.657 0 50 EHAA C[C@H](NC(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1cccc(Cl)c1Cl 248254335 NROMKXOZQFKWLW-XDTLVQLUSA-N 338.238 3.708 0 50 EHAA C[C@H](c1ccncc1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1 67884013 XKHRRGBYMUKKGW-MRXNPFEDSA-N 343.434 3.984 0 50 EHAA Cc1cc(C)n(C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)n1 2776806 UVRYFCXQTYOLLR-SECBINFHSA-N 334.729 3.578 0 50 EHAA Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H](C)C3)o2)c(C)c1Cl 2780644 WGEPMMXZYFDHAQ-LLVKDONJSA-N 335.835 3.667 0 50 EHAA C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccnc(N)n1 3133160 FWRGXFQZCMCDER-LURJTMIESA-N 334.754 3.979 0 50 EHAA Cc1nccc(C2CCN(CC[C@H](C)CCCC(C)(C)O)CC2)n1 216547629 XHGOQMWYFJRONM-MRXNPFEDSA-N 333.520 3.932 0 50 EHAA CC(C)c1ccccc1N(C)C(=O)[C@@H](C)NC(=O)c1cccs1 328596312 FQYIWIYHPBMALH-CYBMUJFWSA-N 330.453 3.653 0 50 EHAA CCCn1ncc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1C 72170494 LZTBLRQWCHIDOD-UHFFFAOYSA-N 346.906 3.573 0 50 EHAA c1cnc(N2CCCCC2)c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 241774203 RNWPMAGRAFYJCX-IPMKNSEASA-N 341.499 3.509 0 50 EHAA Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c(C)o1 287978421 REVQYKYGRDNFAU-GUDVDZBRSA-N 325.408 3.541 0 50 EHAA Cc1cc(CNC(=O)[C@@H](C)SCc2ccc(Cl)cc2)ccn1 223077279 DKVOXWJQBAXUSX-CYBMUJFWSA-N 334.872 3.982 0 50 EHAA Cc1cc(C)c(CNC(=O)[C@@H]2CCCc3c2[nH]c2ccccc32)cn1 220491643 KJRRJUDGMVUXQP-GOSISDBHSA-N 333.435 3.916 0 50 EHAA CCCn1ncc2c(C(=O)N3CCc4ccccc43)cc(C3CC3)nc21 20606923 SRLCGFOIZGHEGA-UHFFFAOYSA-N 346.434 3.922 0 50 EHAA Cc1ccccc1[C@@H]1CCN(CCNc2nnc(C(C)(C)C)o2)C1 92065872 VXJKKZLGRCCBRW-OAHLLOKOSA-N 328.460 3.577 0 50 EHAA Cc1ccccc1CCNCc1cnc2ccc(Br)cn12 237725916 BSGDOQHOXUGFCE-UHFFFAOYSA-N 344.256 3.738 0 50 EHAA CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1cccnc1)c1ccc(F)cc1F 230156862 VENNAXZFUQBOGL-SPYBWZPUSA-N 342.389 3.954 0 50 EHAA Cc1[nH]c2c(F)cccc2c1CC(=O)NCCCCc1ccccn1 91997467 NLIOGDOXXNNVSZ-UHFFFAOYSA-N 339.414 3.692 0 50 EHAA S=C1N[C@H](c2ccccc2)N(C[C@H]2CCCO2)C2=C1CCCC2 245240431 RXVQOODXQFDNAH-QAPCUYQASA-N 328.481 3.925 0 50 EHAA O=C(NC[C@H]1CCCCCN1)c1cc(N2CCCCC2)ccc1Cl 244763934 OYDBBMILMRHMRS-OAHLLOKOSA-N 349.906 3.592 0 50 EHAA C[C@@H](NC(=O)N(C)CCc1nc2ccccc2[nH]1)C1=CCCCC1 534647212 RSOKRLIZGPUTSP-CQSZACIVSA-N 326.444 3.636 0 50 EHAA Cc1cc(C)nc(CN(C)C(=O)Cc2ccccc2C(F)(F)F)c1 952980799 SFLWTXLPQKQIEA-UHFFFAOYSA-N 336.357 3.918 0 50 EHAA CCCc1[nH]ccc1C(=O)N(Cc1ccncc1)Cc1cccnc1 408521883 ZMGYIUCKQNOYJU-UHFFFAOYSA-N 334.423 3.600 0 50 EHAA C[C@H]1C[C@H](C(=O)NC(C)(C)c2ccccc2Br)CCO1 272070603 LHDKYRDIYHPVON-NWDGAFQWSA-N 340.261 3.616 0 50 EHAA C[C@H]1CCC[C@@H](CC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)C1 170611854 DOCIAAYVJWXERI-PKOBYXMFSA-N 348.531 3.844 0 50 EHAA O=C(c1ccoc1Cl)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 192438101 RGTCBBNQXQHXCB-UKRRQHHQSA-N 337.778 3.800 0 50 EHAA O=C(CC1CCCCC1)NC1CCC(C(=O)NCc2ccoc2)CC1 195487680 AQTYDLLVRRITJA-UHFFFAOYSA-N 346.471 3.541 0 50 EHAA C[C@@H](c1ccc(Cc2cc(C(C)(C)C)n[nH]2)cc1)N1CCOCC1 1772810405 MFZMEVNUMIBJDZ-HNNXBMFYSA-N 327.472 3.691 0 50 EHAA CCc1nn2c(NC[C@H]3CCCO3)cc(C)nc2c1-c1ccccc1 5324487 WFEXWPXSHYWIMA-MRXNPFEDSA-N 336.439 3.858 0 50 EHAA CC[C@@H](C)n1cc(C=O)c2c(C(=O)OC)cc(Br)cc21 168969689 YJVAQKXGBJAIDX-SECBINFHSA-N 338.201 3.974 0 50 EHAA COc1ccc(F)c(F)c1-c1nccn1[C@@H](CO)c1ccc(F)cc1 1857735326 CUOSNRBVJXHOAE-AWEZNQCLSA-N 348.324 3.558 0 50 EHAA CS[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](c1nccs1)C1CC1 230092030 KXDYFQPLSNEJQB-XQQFMLRXSA-N 325.503 3.568 0 50 EHAA CCSc1ccc([C@H](C)NC(=O)[C@H](CN)c2ccccc2)cc1 236942315 DZUNIDTVRMZRCV-KBXCAEBGSA-N 328.481 3.718 0 50 EHAA CN(C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1)C1CCCC1 241173033 KFMJELNZDGJRQD-LLVKDONJSA-N 344.381 3.602 0 50 EHAA CCn1ccnc1[C@@H]1CCCCN1C(=O)c1csc(CC(C)C)n1 366663839 NZGVARLJBNEZOR-HNNXBMFYSA-N 346.500 3.925 0 50 EHAA O=C(Nc1cccc(N2CCCCC2)c1)c1cc(C(F)F)ncn1 930538531 ODMFPCCBLQBWIZ-UHFFFAOYSA-N 332.354 3.657 0 50 EHAA Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc(-c2ccccc2)ccn1 935043752 SUMDJVBYWWJPOF-ZDUSSCGKSA-N 335.407 3.887 0 50 EHAA O=C(Nc1ccc(OC[C@@H]2C[N@@]2CC2CC2)cc1)C1CCCCC1 1875384788 ILRQFEQVLJAKPU-PGRDOPGGSA-N 328.456 3.678 0 50 EHAA Cc1cc(C(=O)N[C@H]2CC[C@H](Oc3ccccc3)CC2)c2n[nH]cc2c1 1875305453 RIJKGCVXSYMCAH-SAABIXHNSA-N 349.434 3.991 0 50 EHAA CCc1ncnc(N2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1F 895673316 KKBDPGXVJLPNSJ-LLVKDONJSA-N 332.448 3.507 0 50 EHAA CN(C)Cc1ccc(-c2noc([C@@H]3Cc4cccc(F)c4O3)n2)cc1 2325735980 TWTJOLRICKPZGQ-INIZCTEOSA-N 339.370 3.614 0 50 EHAA Cc1cc(C)c2cc(CNC[C@@]3(c4ccccc4)CCC(=O)N3)[nH]c2c1 2325788803 HRAFSXVWJDZYLN-JOCHJYFZSA-N 347.462 3.680 0 50 EHAA COc1cccc([C@H](C)NC[C@@H](CO)Cc2ccccc2C)c1OC 2325794862 UJDWVYWJIHSJON-IRXDYDNUSA-N 343.467 3.514 0 50 EHAA C[C@@H](C(=O)N1CCCc2c(CN)cccc21)c1cn(C)c2ccccc12 2325795089 CXOUYVYVNOZJSK-OAHLLOKOSA-N 347.462 3.720 0 50 EHAA CC(=O)Nc1cccc(Oc2ncnc3sc4c(c23)CCC4)c1 91558 XRCFUWMKPJYBKW-UHFFFAOYSA-N 325.393 3.931 0 50 EHAA Nc1c(Br)cc(OC(F)(F)F)cc1Br 166541 JBSWOEGXMADXOU-UHFFFAOYSA-N 334.917 3.692 0 50 EHAA O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccco1 170891 PXKKBCJSETYFNQ-UHFFFAOYSA-N 329.406 3.530 0 50 EHAA Cc1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)NCc1ccccc1 191671 AUUGQSNNJXVTOR-OALUTQOASA-N 348.446 3.832 0 50 EHAA FC(F)(F)c1cc(-c2cccs2)nc(-n2nnc3ccccc32)n1 426669 NDXXCKHNCBPSGK-UHFFFAOYSA-N 347.325 3.958 0 50 EHAA O=C(c1ccc(Cl)cc1)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 436031 QISJWZAKSAAHGR-RISCZKNCSA-N 346.736 3.593 0 50 EHAA O=C(NC1C2CC3CC(C2)CC1C3)c1c(F)c(F)c(F)c(F)c1F 2845913 NWPJNTZNEJXRCP-UHFFFAOYSA-N 345.311 3.937 0 50 EHAA CCc1cccc(CC)c1NC(=O)COc1ccc(C(=O)OC)cc1 4201678 UNVXMRAYOGUZOM-UHFFFAOYSA-N 341.407 3.616 0 50 EHAA Cc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1Cl 4744827 TWDXLDNZBDJPCK-UHFFFAOYSA-N 349.795 3.556 0 50 EHAA CC(C)n1ncnc1CNC(=O)CSc1ccc(C(C)(C)C)cc1 347244373 YTIFUNJYUADABI-UHFFFAOYSA-N 346.500 3.565 0 50 EHAA Cc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)c(C)c1 101195936 GYUGNGJVYSPQMC-QGZVFWFLSA-N 337.814 3.999 0 50 EHAA C[C@@H]1CN(Cc2nc(C3CCCC3)no2)C[C@@H](c2ccsc2)O1 246870374 WIYCXBOUUWZQGX-DOMZBBRYSA-N 333.457 3.751 0 50 EHAA CC(C)C[C@H](C)N(C)C(=O)c1cc(CN(C)Cc2ccccc2)on1 67948029 VJTVTEPSPIGRHZ-INIZCTEOSA-N 343.471 3.813 0 50 EHAA Cc1nc(-c2ccccc2)sc1CN[C@@H](C)C(=O)NC1CCCC1 65369949 OKLBNRYRLDEPOC-AWEZNQCLSA-N 343.496 3.655 0 50 EHAA COc1ccc(-n2nc(C)c3[nH]c([C@H]4CCOC(C)(C)C4)nc32)cc1 23505938 BEKJVNTWIDEJMG-ZDUSSCGKSA-N 340.427 3.738 0 50 EHAA CCc1cn[nH]c1[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 77564673 RKKISUCEICCNHE-KRWDZBQOSA-N 335.455 3.742 0 50 EHAA Cc1noc(C)c1C(=O)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 215767980 DCAJHQYFAVRMCP-HNNXBMFYSA-N 342.374 3.674 0 50 EHAA CN(C)[C@@H]1CCCN(C(=O)CC(C)(C)CC(=O)c2ccccc2)CC1 253431009 NEPYCVHQTJGODG-GOSISDBHSA-N 344.499 3.618 0 50 EHAA Cc1ncc(C(=O)N2CCC[C@H](C(=O)CCc3ccccc3)C2)s1 77471248 XKYMPUXOSLXJOB-INIZCTEOSA-N 342.464 3.506 0 50 EHAA Cc1coc(-c2cc(NC(=O)c3[nH]nc4c3CCCC4)ccc2C)n1 130134330 FHYJSTPZKOOYJM-UHFFFAOYSA-N 336.395 3.813 0 50 EHAA CC1(C)C[C@H](CN2CCCN(Cc3ccccc3F)CC2)CCO1 72127344 AYCRXVAKLJHQQE-QGZVFWFLSA-N 334.479 3.539 0 50 EHAA CC[C@@H](C)n1nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1C 332426998 USDHTJAYFJRSFM-CQSZACIVSA-N 341.455 3.888 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(-c2cccs2)on1 261835532 YBEWNTSWBHWLMF-BNOWGMLFSA-N 332.425 3.621 0 50 EHAA Cc1nn2c(N[C@@H](C)c3cnn(C)c3)cc(-c3ccccc3)nc2c1C 72463254 MAXICLMWYDXBIO-HNNXBMFYSA-N 346.438 3.920 0 50 EHAA O=C(CCCOCCc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 239672694 BUTLQMCVPZNKQR-NXNFSMPISA-N 341.495 3.967 0 50 EHAA CCCOc1ccccc1[C@H](C)NC(=O)c1cc(CCC)nn1C 82162119 KHYGOFJEKYZULO-AWEZNQCLSA-N 329.444 3.652 0 50 EHAA O=C(CSc1ccncc1)NCC1(c2cccc(F)c2)CCCC1 223844789 GWEVNSIDPCBPNG-UHFFFAOYSA-N 344.455 3.941 0 50 EHAA CN1CC[C@@]2(CCCN(C(=O)c3ccc(-c4cccs4)cc3)C2)C1 426612730 XZVIXNNSWZKUPB-FQEVSTJZSA-N 340.492 3.973 0 50 EHAA CC(C)C1CCC(N2CCN(C[C@H](O)c3ccc(F)cc3)CC2)CC1 175928341 VQXWGOHGCIXLNF-JITJBCMDSA-N 348.506 3.692 0 50 EHAA CC(C)c1ccc(C2(C(=O)N[C@H](C)c3nc[nH]n3)CCCC2)cc1 175929640 KJCVRSXKFWMPOI-CQSZACIVSA-N 326.444 3.617 0 50 EHAA Cc1ccc(-c2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)[C@@H]4O)cc2)c(F)c1 426641387 PAMPMWCAWDZGQR-YRWFTTLQSA-N 339.410 3.644 0 50 EHAA OC[C@@]1(Cc2ccc(F)cc2)CCN(c2ccc3ccccc3n2)C1 289194185 WWDLERZABVZABK-OAQYLSRUSA-N 336.410 3.805 0 50 EHAA Cc1ccc(C(=O)Cn2cc(-c3ccc(C)c(C)c3)n(C)c2=N)cc1 334157568 MPFBDRSKNPAGGT-UHFFFAOYSA-N 333.435 3.781 0 50 EHAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccccc2OC2CCCCC2)C1 299738551 CEELBMBGKINAHO-HZPDHXFCSA-N 330.472 3.598 0 50 EHAA O=C(Nc1ccc2c(c1)OCCO2)N1CCCC[C@H]1c1cccnc1 299771961 YGLJNRMANZAYDD-INIZCTEOSA-N 339.395 3.612 0 50 EHAA Cc1nc(C(=O)NCCOC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cs1 825317541 WNEAKXXZEKEZNU-KOCGSPDRSA-N 348.512 3.947 0 50 EHAA CC[C@H](C)C(=O)Nc1cccc(C(=O)NCc2cnc(C)c(C)c2)c1 952987835 GVYOPODRINQBRL-ZDUSSCGKSA-N 339.439 3.613 0 50 EHAA O=C(COc1ccc(F)cc1Cl)Nc1ccc2c(O)ccnc2c1 170610112 PMDOFAQKSBRRMN-UHFFFAOYSA-N 346.745 3.750 0 50 EHAA O=C(N[C@]1(C(F)(F)F)CCc2ccccc21)c1cc(C2CC2)no1 685047062 JCWDXMNPYXRXBO-MRXNPFEDSA-N 336.313 3.686 0 50 EHAA CC(C)(C)OC(=O)n1cc(CO)c2cc(Br)ccc21 2563734 LPXSZZFLLCBIJX-UHFFFAOYSA-N 326.190 3.679 0 50 EHAA in-vitro O=C(CN1CCc2ccccc2C1)Nc1cccc(C(F)(F)F)c1 5938369 WMSKNYYAFBHLOS-UHFFFAOYSA-N 334.341 3.702 0 50 EHAA Cc1ccc(C)c(-n2cc(CN(C)CCO)c(-c3ccccc3)n2)c1 12002884 HZUKFQXXTYRFPO-UHFFFAOYSA-N 335.451 3.580 0 50 EHAA CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OC 19872041 SWZPWNPQKJYDCW-INIZCTEOSA-N 335.831 3.571 0 50 EHAA C[C@]1(C(=O)O)CCN(Cc2nc(-c3cccc(Cl)c3)cs2)C1 1857531616 GHGQBHPHTNCHPP-INIZCTEOSA-N 336.844 3.760 0 50 EHAA C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCc1cnc[nH]1 355013964 JLWJAZXXKPBDFQ-SNVBAGLBSA-N 338.238 3.795 0 50 EHAA CO[C@H](C(=O)N(C)[C@H]1CCCc2nc(C)sc21)c1ccccc1 163260708 NNWWPCNLLILCIB-HOTGVXAUSA-N 330.453 3.675 0 50 EHAA Cc1ccc(CC(=O)Nc2cccc(OC(F)F)c2)c(Cl)n1 806475606 FCTHWCBTABTOBH-UHFFFAOYSA-N 326.730 3.826 0 50 EHAA O=C(Nc1ccnn1C1CCOCC1)N1CCCC2(CCCC2)CC1 934619582 OFXZCDQESDVTSV-UHFFFAOYSA-N 346.475 3.813 0 50 EHAA CCCc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n[nH]1 2325782167 AKKUKQOVHCICFZ-UHFFFAOYSA-N 347.846 3.699 0 50 EHAA N[C@@H]1CCN(Cc2cc(-c3ccco3)on2)c2ccc(Cl)cc21 2325860050 VVPNJCKDWOOIEZ-CQSZACIVSA-N 329.787 3.998 0 50 EHAA COc1ccc(Br)cc1-c1nc2ccccc2c(=O)o1 367842 VGALJHKHGIHIDS-UHFFFAOYSA-N 332.153 3.626 0 50 EHAA CN(C)c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 450442 NVQXVFSQGKXPAO-UHFFFAOYSA-N 339.420 3.626 0 50 EHAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl 451725 SOIRDSDKPGQKFY-ZDUSSCGKSA-N 343.210 3.527 0 50 EHAA O=S(=O)(Nc1nc2ccccc2s1)c1ccc(Cl)s1 470448 ROKZYXRZNANQRQ-UHFFFAOYSA-N 330.843 3.812 0 50 EHAA COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCCC2)cc1 559913 XMPIJIRZKRCWOF-UHFFFAOYSA-N 340.423 3.946 0 50 EHAA CCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(C)c(C)c2)c1 572088 SLBWRYKIXYJBFP-UHFFFAOYSA-N 339.391 3.692 0 50 EHAA O=C(COc1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1 847209 HEULICGAXWHNOZ-UHFFFAOYSA-N 345.358 3.907 0 50 EHAA Cc1ccc(OCCn2cnc3sc4c(c3c2=O)CCCC4)cc1 1980723 MOPRGXOOJBOEGW-UHFFFAOYSA-N 340.448 3.724 0 50 EHAA CC(C)COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 2632322 QXFGICCGFJXFQB-UHFFFAOYSA-N 327.380 3.745 0 50 EHAA Cc1nc(SCC(=O)N[C@H](C)c2ccccc2)[nH]c1CC(C)C 4625897 FUTHUBSOPFTGSD-CYBMUJFWSA-N 331.485 3.886 0 50 EHAA CCCCc1ccc(-c2csc(NC(=O)CCC(=O)O)n2)cc1 6727003 JRTPFAIUCPWXEW-UHFFFAOYSA-N 332.425 3.956 0 50 EHAA Cc1cc(NC(=O)C(C)(C)C)cc(-c2nc3ncccc3o2)c1O 7505086 AJEDTWIZFCOSBP-UHFFFAOYSA-N 325.368 3.888 0 50 EHAA Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 9231709 YYRNNIINBIDEKG-HNNXBMFYSA-N 340.423 3.996 0 50 EHAA CN(Cc1ccc2ccccc2n1)C(=O)c1cn(C2CCCCC2)nn1 11664982 REHOPZPCTBUGTB-UHFFFAOYSA-N 349.438 3.604 0 50 EHAA OCc1ccc(CN2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)o1 11873125 LXCMFSSPPVNOKP-HNNXBMFYSA-N 335.394 3.895 0 50 EHAA O=C(Cc1noc(-c2cccc(Cl)c2)n1)Nc1ccccc1F 16578397 RLJRPSLAOBKNTD-UHFFFAOYSA-N 331.734 3.710 0 50 EHAA Cc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 16652213 DNEAZNVUTUDZFB-UHFFFAOYSA-N 340.398 3.625 0 50 EHAA CC(C)(C)CCN1CCc2[nH]nc(COCc3ccccc3)c2C1 19111139 DTQYFQHEESIICV-UHFFFAOYSA-N 327.472 3.921 0 50 EHAA 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EHAA CC(C)N1CCC[C@H](CN(C)C(=O)c2cc(F)cc(Cl)c2)C1 91846360 GXCJTEBMALCHII-CYBMUJFWSA-N 326.843 3.672 0 50 EHAA Cc1ccc(NC(=O)N2CCC(Oc3cccnc3)CC2)cc1C 90686349 PCCVUNNSYQODPY-UHFFFAOYSA-N 325.412 3.774 0 50 EHAA Cc1ccc(F)cc1CN[C@@H](c1c(C)nn(C)c1C)C(F)(F)F 408514290 DGNYGOPPJJOZJX-HNNXBMFYSA-N 329.341 3.878 0 50 EHAA CN(C)c1nc2cc(NC(=O)c3c(F)cccc3Cl)ccc2o1 408513190 NTEZUZJGHGEQKF-UHFFFAOYSA-N 333.750 3.939 0 50 EHAA CC(C)n1ccc(CNc2ncc(Br)c3cccnc23)n1 892619299 WHBRLHOEFZHEIK-UHFFFAOYSA-N 346.232 3.782 0 50 EHAA C[C@@H](NC(=O)[C@@H]1CC12CCNCC2)C(c1ccccc1)c1ccccc1 170057838 GXQDNGGNNMQYFR-XLIONFOSSA-N 348.490 3.713 0 50 EHAA Cc1oc2ccccc2c1CNC(=O)c1[nH]nc(C2CC2)c1Cl 170596884 FGGMECDMCBVWPU-UHFFFAOYSA-N 329.787 3.925 0 50 EHAA S=C(Nc1ccc2c(c1)OCCO2)NC12CC3CC(CC(C3)C1)C2 170612965 KAKXHMOOUZAUCF-UHFFFAOYSA-N 344.480 3.713 0 50 EHAA O=S(=O)(CCN1CCC[C@H]1c1cccs1)Cc1ccccc1 279170270 CUKIDKWIOWRPRL-INIZCTEOSA-N 335.494 3.500 0 50 EHAA C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 677363752 OGSNJCSNCQEOGT-GJZGRUSLSA-N 342.414 3.783 0 50 EHAA O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cc(C2CC2)on1 194971566 SBOLAKBJNGLLTF-HNNXBMFYSA-N 338.367 3.532 0 50 EHAA O[C@H]1CCCN(Cc2ccc3c[nH]nc3c2)[C@@H]1CCc1ccccc1 660904964 VJLNWNIYRREZCZ-RTWAWAEBSA-N 335.451 3.521 0 50 EHAA CC(C)n1cc2c(n1)[C@@H](Nc1cc(NCC3CC3)ncn1)CCC2 785843928 KQBVOURCFZYIGC-HNNXBMFYSA-N 326.448 3.565 0 50 EHAA COc1ccc(OCCCN(C)[C@H](C)Cc2ncccc2C)cc1 1506413096 GZSGYYIDCCDDMP-QGZVFWFLSA-N 328.456 3.731 0 50 EHAA Cc1cc(C)n(-c2ccccc2CN(CC2CC2)C[C@@H]2CCCO2)n1 1506404909 AVHQSYBIAFIELJ-FQEVSTJZSA-N 339.483 3.880 0 50 EHAA CCC[C@@H](Nc1ccc(C(=O)N2CCOCC2)cn1)c1cccs1 1704347323 APWAJIFFMUAIDJ-OAHLLOKOSA-N 345.468 3.569 0 50 EHAA Cc1ncnc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)c1C 1704314826 VKODGSJAWPGJFV-UHFFFAOYSA-N 348.450 3.643 0 50 EHAA O=C(C1=CCCC1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 11753504 HYVQCOHGTLDVHL-NRFANRHFSA-N 342.458 3.751 0 50 EHAA COc1ccc(-c2nc3cc(C)ccc3cc2CNC[C@H](C)O)cc1 11996164 XBCBRGIRJIXCIC-HNNXBMFYSA-N 336.435 3.689 0 50 EHAA O=C(CCC(F)(F)F)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 11996906 QWHDEUOWGYXRJF-CQSZACIVSA-N 349.356 3.980 0 50 EHAA CCCS(=O)(=O)c1ccccc1C(=O)Nc1c(C)cccc1CC 16624432 ACNBYMBJWQDETJ-UHFFFAOYSA-N 345.464 3.993 0 50 EHAA CCN(CC)[C@@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl 19799904 LMSFWQWRWIRPRA-CYBMUJFWSA-N 337.678 3.763 0 50 EHAA C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C[C@@H]1CC(=O)O 1857533371 HFFWJAMPSSDHSC-ZQEOTTOMSA-N 337.419 3.513 0 50 EHAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1cnc(-c2ccccc2)s1 1857675208 NYUNDZJCXDJHSZ-WDYCEAGBSA-N 328.481 3.936 0 50 EHAA CC(C)(C)CN1CCC[C@@H](Nc2ccc(Cl)c(C(=N)O)c2)C1=O 330889309 GRMUKNOCRNLFBF-CQSZACIVSA-N 337.851 3.672 0 50 EHAA CC(=O)N1C[C@H](CCC(=O)Nc2cc(C)ccc2O)c2ccccc21 253430679 KVFMERADIWRPRU-HNNXBMFYSA-N 338.407 3.570 0 50 EHAA CCOC(=O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc23)CC1 1857583648 JSUCDRSIJWHZNF-QGZVFWFLSA-N 339.435 3.574 0 50 EHAA c1ccc(-c2nc(NCC[C@@H]3CCCO3)c3ccsc3n2)nc1 858338544 XRZFWRHDAILSTA-LBPRGKRZSA-N 326.425 3.734 0 50 EHAA CCOC1CC(CC(=O)N2CCCC[C@H]2Cc2ccc(O)cc2)C1 1159110564 AFKZBAIFJMEXMU-HFCFLWKCSA-N 331.456 3.521 0 50 EHAA O=C(O)[C@@H]1CC[C@@H](C(F)(F)F)N1Cc1ccc(F)c(Cl)c1F 1875290991 KZBQJNQSSOLWLW-IUCAKERBSA-N 343.679 3.598 0 50 EHAA CCC(CC)[C@@H]1CCN([C@H](C(=O)O)c2cc(OC)cc(OC)c2)C1 1875266856 IYNXCPIHHHKJPJ-KDOFPFPSSA-N 335.444 3.588 0 50 EHAA Cc1cccn2c(CC(=O)N3c4ccc(Cl)cc4C[C@H]3C)cnc12 1875325967 IOTKPCCNZINXFP-CYBMUJFWSA-N 339.826 3.816 0 50 EHAA C[C@H](c1nc(-c2cc(F)cc(F)c2)no1)n1ccc(C(F)(F)F)n1 1875313385 PWLPUGHYSBLDGE-SSDOTTSWSA-N 344.243 3.839 0 50 EHAA COc1cc(Cc2nc(-c3csc(C(C)C)n3)no2)ccc1O 888101939 RKJQAXZTNYFWOY-UHFFFAOYSA-N 331.397 3.622 0 50 EHAA CC[C@@H](CCOC)c1nc(-c2cc3c(OC)ccc(F)c3[nH]2)no1 2325783631 OTBKMROVIJOKGI-JTQLQIEISA-N 333.363 3.896 0 50 EHAA O=C(Cc1cncc2ccccc12)N1C[C@@H]2C[C@@H]2[C@@H]1c1ccccc1 2325792941 XHEQMFCHJFBGEV-VCOUNFBDSA-N 328.415 3.997 0 50 EHAA O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1Cc1ccc(F)cc1 101119 HKQOUEHYCHFBPJ-QFIPXVFZSA-N 347.389 3.870 0 50 EHAA Cc1ccc(C(=O)Nc2ccccc2I)cc1 272887 WZIHTWIEJFXTDR-UHFFFAOYSA-N 337.160 3.852 0 50 EHAA CC(C)NC(=O)c1ccccc1NC(=O)Cc1c(F)cccc1Cl 1063839 NCRQTLPBTVJBAU-UHFFFAOYSA-N 348.805 3.799 0 50 EHAA COc1ccccc1/C=C/C(=O)NCCSc1ccc(C)cc1 2812469 VJHVICVGMWCHSL-FMIVXFBMSA-N 327.449 3.925 0 50 EHAA CCOC(=O)CCCCCN1C(=O)c2cccc3cccc(c23)C1=O 3900178 LKTNERYONFVSNC-UHFFFAOYSA-N 339.391 3.559 0 50 EHAA C[S@@](=O)CCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 225395256 JZUIFAAMQHMWMD-HXUWFJFHSA-N 332.252 3.722 0 50 EHAA COc1ccc(OC)c(-c2nc(COc3cccnc3C)c(C)o2)c1 67712545 FJJNUJBYEWWQMJ-UHFFFAOYSA-N 340.379 3.950 0 50 EHAA Cc1cc([C@@H]2C[C@H](NC(=O)c3ccccc3)C[C@H](CC(C)C)O2)[nH]n1 67459311 OSSAOBDTIZDIOB-AOIWGVFYSA-N 341.455 3.783 0 50 EHAA CCCN1CCC(Cc2noc(-c3cccc4cnccc34)n2)CC1 67769682 SPUFDPXFVUIHDP-UHFFFAOYSA-N 336.439 3.949 0 50 EHAA COc1ccc(C=O)cc1CSc1nnc(-c2ccccc2)o1 32919318 VCZFJLVPFFRPST-UHFFFAOYSA-N 326.377 3.850 0 50 EHAA COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3o2)c1 272781 VFGHODSOPOYPEV-UHFFFAOYSA-N 344.392 3.576 0 50 EHAA biogenic NC(=O)[C@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 1383476 UTATXSHVDAOXQN-IBGZPJMESA-N 333.362 3.674 0 50 EHAA CC(C)(C)OC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1ccc(Cl)cc1 1406904 MCVPXTHCXZFQMW-NWDGAFQWSA-N 343.832 3.776 0 50 EHAA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccccc2F)CC(=O)N1 6819406 IOJRYLWVTGSZRJ-INIZCTEOSA-N 345.414 3.827 0 50 EHAA O=C(c1ncccc1O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 71662587 PAFUSERXVRJWBF-ZDUSSCGKSA-N 346.377 3.550 0 50 EHAA CCNc1nc(C)c(C(=O)N2CCCC[C@H]2c2ccccn2)s1 214965136 CRAIYPVJCJRUHO-AWEZNQCLSA-N 330.457 3.646 0 50 EHAA COc1ccc([C@@H]2CCCN2c2nnc(-c3ccon3)s2)cc1C 367330603 AEWKUBZCLOXXPO-AWEZNQCLSA-N 342.424 3.852 0 50 EHAA CC(C)(C(=O)NCC1(Cc2ccc(F)cc2)CC1)C1CCOCC1 280494718 OTRRSVKGKDXSDB-UHFFFAOYSA-N 333.447 3.717 0 50 EHAA Cc1cccc(OC2CCN(C(=O)c3cccc4nccnc34)CC2)c1 77454638 LNHYSABTRRYRRR-UHFFFAOYSA-N 347.418 3.622 0 50 EHAA C[C@@H]1CC=CC[C@@H]1COC(=O)[C@H]1CCCN1C(=O)C1CCCCC1 241287100 LJXGHOHWKGRBCW-KBAYOESNSA-N 333.472 3.703 0 50 EHAA Cc1nc(-c2ncccn2)sc1C(=O)N(C)[C@@H](C)C1CCCCC1 283681839 SQDGHLURBQDWOH-ZDUSSCGKSA-N 344.484 3.949 0 50 EHAA C[C@@H]1CCCN1Cc1ccccc1-c1nc(C(C)(C)C)cc(=O)[nH]1 48379504 FBEPDOIBIXZJMW-CQSZACIVSA-N 325.456 3.719 0 50 EHAA CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC1CCC(C(=O)O)CC1 263439175 VQWRJEPDWOLAFN-WIRQWFGLSA-N 325.836 3.649 0 50 EHAA CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)O 139784513 WOCFNKDQXQVEJM-KBPBESRZSA-N 339.819 3.908 0 50 EHAA CCC[C@H](C(=O)NC)n1ccnc1-c1ccccc1C(F)(F)F 82137437 VDHOONXNWDHCOF-CYBMUJFWSA-N 325.334 3.656 0 50 EHAA COc1cccc(Cl)c1C(=O)NC[C@H]1CCCO[C@H]1C(C)C 177955264 JGOILWBXVQKPTG-WBMJQRKESA-N 325.836 3.530 0 50 EHAA CN(CCn1ccc2ccccc21)C(=O)c1cccc(-c2cn[nH]c2)c1 97756404 PLGPOWPMCUSRHI-UHFFFAOYSA-N 344.418 3.804 0 50 EHAA c1ccc(CCn2nc(-c3ccncc3)nc2CC[C@@H]2CCCO2)cc1 96162261 RLQVNCNZRIDBMU-IBGZPJMESA-N 348.450 3.694 0 50 EHAA COCCCN(Cc1ccc(F)cc1)C(=O)c1cnc(C)c(C)c1 97528028 QWVULQDKDOTHHZ-UHFFFAOYSA-N 330.403 3.516 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C 257357628 PCTFUNUQNHEEEB-PBHUUOTOSA-N 330.468 3.982 0 50 EHAA CC1(C)C[C@@]1(CNC(=O)c1cccc2c1CCC2=O)c1ccccc1 670454865 DHIJAUMVVWEQBA-JOCHJYFZSA-N 333.431 3.913 0 50 EHAA C[C@H](NC(=O)NCc1ccc2occc2c1)c1nc(C(C)(C)C)no1 661081694 STPBXDAPIXLLPA-NSHDSACASA-N 342.399 3.674 0 50 EHAA O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1C[C@@H]2CCC[C@H]2C1 270376639 VBZFRPYGJVMKLG-HOTGVXAUSA-N 348.450 3.866 0 50 EHAA CCn1ccc(CN(C)C(=O)Cc2c[nH]c3ccc(Cl)cc23)c1 170611356 XENBSNQQOQCYLN-UHFFFAOYSA-N 329.831 3.844 0 50 EHAA CC(C)[C@](C)(O)c1nc(-c2cccc(OCc3cccnc3)c2)no1 170606761 GYSKXRIKFRMDMY-IBGZPJMESA-N 339.395 3.574 0 50 EHAA Cc1csc([C@@H]2COCCN2CCSc2ccccc2F)n1 189293259 BGLNWTNHCBNESH-AWEZNQCLSA-N 338.473 3.756 0 50 EHAA CCc1cnccc1C(=O)Nc1cc(Cl)ccc1O[C@@H](C)COC 190403016 HDDXEMPZBMUXBU-LBPRGKRZSA-N 348.830 3.963 0 50 EHAA C[C@H]1CC2(CCC2)CN1[C@@H](C(=O)O)c1ccccc1Br 659788675 RYSFTWXVSJPPFG-SMDDNHRTSA-N 338.245 3.839 0 50 EHAA CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)N(C)C2=S)cc1 194099 XLZYLILADISGHN-WJDWOHSUSA-N 342.420 3.591 0 50 EHAA C[C@H](c1cccc(CN2CCC(c3ccnc(O)c3)CC2)c1)N(C)C 1772807927 WDDFIDQPLLOJNR-MRXNPFEDSA-N 339.483 3.789 0 50 EHAA CC1=CC2(CCN(c3cc(C(=O)O)c4ccccc4n3)CC2)OCC1 1772703416 LHYDFBGGFKVDCB-UHFFFAOYSA-N 338.407 3.639 0 50 EHAA O=C(O)c1cnc(CN(CCc2ccccc2)C2CCCCC2)cn1 1772709802 LZBHDAAKWFIPMH-UHFFFAOYSA-N 339.439 3.552 0 50 EHAA C[C@H]1S[C@H](c2c(Cl)cccc2Cl)N(CCCN(C)C)C1=O 5046077 FWIUTAMHBUJCPA-MEBBXXQBSA-N 347.311 3.908 0 50 EHAA Cc1ccc(-c2nnc(CCC(=O)N(C)C(C3CC3)C3CC3)o2)s1 19112595 JGOPLSINGFAVTD-UHFFFAOYSA-N 345.468 3.686 0 50 EHAA Cc1ccc2nc(O)c(-c3nccn3[C@@H]3CCC[C@H](CO)C3)cc2c1 1857729725 FMTYKWKAXMFVDT-GOEBONIOSA-N 337.423 3.836 0 50 EHAA Cc1cc(CN2CCCC2)cc(-c2ccc([C@H]3CNC(=O)C3)cc2)c1 1875247498 MXSMKHCMDCQNQO-OAQYLSRUSA-N 334.463 3.861 0 50 EHAA O=S(=O)(Nc1cccc(F)c1)c1cccc([C@@H]2CC2(F)F)c1 1875359929 UDTYQLPFNWPBFZ-AWEZNQCLSA-N 327.327 3.749 0 50 EHAA COC(=O)c1ccc(NCc2coc(-c3cccc(OC)c3)n2)cc1 1875317002 LOKWLMMMTZFIRD-UHFFFAOYSA-N 338.363 3.749 0 50 EHAA Cc1cc(C(=O)Nc2ccc3ncn(C)c3c2)c(C)n1-c1cccnc1 1875341556 XPMZNZXSTGOBJM-UHFFFAOYSA-N 345.406 3.628 0 50 EHAA CC(C)(CCNC(=O)OC(C)(C)C)NCc1ccc(C(F)F)nc1 877596910 ZNXJLFMAYRBQFF-UHFFFAOYSA-N 343.418 3.802 0 50 EHAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N2CCn3c2nc2ccccc23)o1 888092908 JCDCBDJKVHWHHY-CBBWQLFWSA-N 347.418 3.903 0 50 EHAA C[C@H](NC(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccns1 896045271 GPMHBGIOWNOROL-JSGCOSHPSA-N 349.431 3.596 0 50 EHAA CC(C)(C)[C@@H]1C[C@H](C(=O)O)CN(Cc2ccc(C3CCC3)nc2)C1 2325791983 PVBMQJZNUDACHD-DLBZAZTESA-N 330.472 3.918 0 50 EHAA Cc1ccc(SC[C@@H](C)NC(=O)c2cccc3cncn23)cc1 2325855221 NDIVIEWHWJSKCB-CQSZACIVSA-N 325.437 3.553 0 50 EHAA CCC(=O)N1CCN(c2nc(-c3ccc(C(C)C)cc3)cs2)CC1 2325866611 RKUOJOLLROLMPL-UHFFFAOYSA-N 343.496 3.992 0 50 EHAA c1ccc(-c2ccccc2CN2CCOC[C@H]2C[C@@H]2CCOC2)cc1 2325875420 RCSYCDGAZANTTP-GHTZIAJQSA-N 337.463 3.981 0 50 EHAA C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 127031764 ADXMPRNRGOVSFJ-HXPMCKFVSA-N 337.398 3.684 0 50 EHAA Cc1cc(Br)ccc1NC(=O)c1ccc2c(c1)OCO2 445523 LROHUGVNWHZAAG-UHFFFAOYSA-N 334.169 3.739 0 50 EHAA CC(C)(C)C(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 451531 MZMBFJGEMDZMJY-UHFFFAOYSA-N 328.286 3.806 0 50 EHAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(C(=O)O)c1 469708 LMBXEPRXLSRWDK-CYBMUJFWSA-N 327.380 3.916 0 50 EHAA C[C@@H](NC(=O)Nc1ccc(Br)cc1Cl)[C@H]1CCCO1 611190 KDXAXJKBXLVHHA-PRHODGIISA-N 347.640 3.792 0 50 EHAA COc1cc(C=O)cc(Br)c1OCC(=O)c1ccccc1 614639 YTVBHKOHBKHRHZ-UHFFFAOYSA-N 349.180 3.532 0 50 EHAA C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)O 2562444 YUVKUEAFAVKILW-SECBINFHSA-N 327.258 3.745 0 50 EHAA biogenic,in-vitro COC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(C)cc2C)cc1 2971402 XEONJRQJMUDTJV-UHFFFAOYSA-N 339.391 3.692 0 50 EHAA Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccnc1 4122466 OBGLNFBYJZVABD-UHFFFAOYSA-N 330.347 3.846 0 50 EHAA COc1ccc2[nH]cc(CCNC(=O)c3cccc(Cl)c3)c2c1 4487678 DVGBXZNCTCMKAA-UHFFFAOYSA-N 328.799 3.802 0 50 EHAA biogenic O=C(CSc1nccc2ccccc12)N1CCc2ccccc2C1 6258197 MTKAEURZDSEUSA-UHFFFAOYSA-N 334.444 3.912 0 50 EHAA CC[C@@H](C)c1ccc(O)c(NC(=O)c2cccc(-n3cnnc3)c2)c1 6702236 KDINRFIMGCBWNI-CYBMUJFWSA-N 336.395 3.739 0 50 EHAA O=C(c1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(Cc2cc[nH]n2)C1 11661902 QZOZBTIIXXRETK-QGZVFWFLSA-N 345.446 3.756 0 50 EHAA O=C(c1ccc(CN2CCCCC2)cc1)N1CCc2sccc2C1 12216298 SIMOQCGUSOGHHO-UHFFFAOYSA-N 340.492 3.933 0 50 EHAA CN(Cc1cn(C)nc1-c1cccc(Cl)c1)C[C@H]1CCCCO1 12314836 BDSFAKYLCPRPRS-QGZVFWFLSA-N 333.863 3.741 0 50 EHAA COC(=O)c1c(NC(=O)c2cc(C)on2)sc2c1CCCCCC2 13327686 APGUWQAVQFSVOG-UHFFFAOYSA-N 348.424 3.742 0 50 EHAA O=C(c1ccc2ccccc2c1)N1CCN(Cc2ccccc2)CC1 20522547 FTMPTWFDWYDDTJ-UHFFFAOYSA-N 330.431 3.798 0 50 EHAA COc1ccc(C)cc1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl 21806978 SEQXJZJYZWMGFX-UHFFFAOYSA-N 347.724 3.662 0 50 EHAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2c(C)noc2C)cc1C 33086950 VIYBBWPKEXAPEF-MRXNPFEDSA-N 348.468 3.743 0 50 EHAA COc1cccc([C@H]2CCCN2c2nccc(-c3cn(C)nc3C)n2)c1 48482644 CYWJJBRHHDQITD-LJQANCHMSA-N 349.438 3.536 0 50 EHAA CSc1ccc(CN(CCO)Cc2ccc(O)c(Cl)c2)cc1 55060768 WCBZXEHLWABRTK-UHFFFAOYSA-N 337.872 3.762 0 50 EHAA COC[C@@H](c1ccnn1C)n1cnc(-c2ccccc2)c1C=C(C)C 65370759 LRAPRJFUYPSGFV-IBGZPJMESA-N 336.439 3.943 0 50 EHAA CCn1nc(C)c([C@H](C)Nc2nccc(CCC(F)(F)F)n2)c1C 71497617 DZYXZQLPYJPKIX-JTQLQIEISA-N 341.381 3.978 0 50 EHAA CCc1ccc(CN2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)o1 71747176 HHWQQXRZFKOKJH-YPAWHYETSA-N 336.479 3.904 0 50 EHAA CCc1nc(N[C@@H](CC(C)(C)C)c2cccnc2)c2cnn(C)c2n1 72121830 VQVKYXPYQRQRAM-HNNXBMFYSA-N 338.459 3.910 0 50 EHAA Cc1cc(C(=O)N2CC[C@H](c3ccccc3C(=O)O)C2)ccc1Cl 72172571 OBLFCSULSDYDDG-AWEZNQCLSA-N 343.810 3.976 0 50 EHAA Cc1nc([C@@H](C)N(C)Cc2cc(C(N)=O)oc2C(C)(C)C)c(C)s1 77302397 AIEOPUWVOSDIEX-SNVBAGLBSA-N 349.500 3.942 0 50 EHAA Cn1ccnc1C1CCN(Cc2csc(-c3ccccc3)n2)CC1 91444780 MZGOMYUDUPTKKN-UHFFFAOYSA-N 338.480 3.923 0 50 EHAA CCn1cc(Cn2cc(-c3ccccc3-c3ccco3)nn2)c(C)n1 91657206 JAOKZYCVVGZKTQ-UHFFFAOYSA-N 333.395 3.778 0 50 EHAA Cc1ccccc1COC1CN(C(=O)c2sc(C(C)C)nc2C)C1 91664683 XJXTXRARWLRGBK-UHFFFAOYSA-N 344.480 3.925 0 50 EHAA CN(C)Cc1cccc(-c2cn(Cc3ccc(Cl)s3)nn2)c1 91846060 LMMOVFKCMIJCAK-UHFFFAOYSA-N 332.860 3.770 0 50 EHAA CC[C@@H](C(=O)N(Cc1ccccn1)C1CCCCC1)n1cccn1 91974318 KMWNALIISFDWLD-SFHVURJKSA-N 326.444 3.591 0 50 EHAA CC(=O)Nc1ccc(CN2CCC(Oc3ccc(F)cc3)CC2)cc1 92660999 ZKVIZUIPHPSBBX-UHFFFAOYSA-N 342.414 3.828 0 50 EHAA Cc1nc(CSc2ncccn2)n(Cc2c(F)cccc2Cl)n1 95504648 KVIJGADXNJTBRB-UHFFFAOYSA-N 349.822 3.510 0 50 EHAA Cc1cn(CC(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)c2ccccc12 170630970 AAGQWFPQNZPWNS-OXQOHEQNSA-N 342.483 3.907 0 50 EHAA CCOc1cccc2[nH]cc(CC(=O)N[C@H]3CC(C)(C)OC3(C)C)c12 189771832 LRRBGHOKIXNINZ-INIZCTEOSA-N 344.455 3.571 0 50 EHAA Cc1csc([C@@H]2COCCN2Cc2cc(Cl)ccc2F)n1 190402348 DSQYGUCSLLSZRG-AWEZNQCLSA-N 326.824 3.818 0 50 EHAA O[C@H](CC1CCCC1)CN1CCC(c2c[nH]c3ncccc23)CC1 190873822 ROZPRUKSYKYJDL-QGZVFWFLSA-N 327.472 3.684 0 50 EHAA Cc1cc(N2CCC(CC(=O)N(C)C)CC2)c2ccc(F)c(F)c2n1 225409698 HNDFGIMHIMCKIR-UHFFFAOYSA-N 347.409 3.516 0 50 EHAA O=C(Nc1cc(Cl)c(Cl)cn1)c1cc2ccccc2c(=O)o1 239667145 BPCFQMJXAGGUAC-UHFFFAOYSA-N 335.146 3.747 0 50 EHAA COc1cc(C)cc(NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1C 242167695 WYRUCNFSOBKAJF-INIZCTEOSA-N 342.443 3.686 0 50 EHAA COCCn1cncc1CN(Cc1ccc(C)s1)C1CCCC1 244716168 LJRMJXANKZLMKP-UHFFFAOYSA-N 333.501 3.844 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccccc1C(F)(F)F 252536981 KAVXIZHEZYKCDT-GLQYFDAESA-N 327.346 3.923 0 50 EHAA COC(=O)c1ccc2c(O)nc([C@@H](F)c3ccc(Cl)cc3)nc2c1 253535113 LKIRRVRIHGMWRE-AWEZNQCLSA-N 346.745 3.834 0 50 EHAA CC(C)n1nccc1C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 271774202 ARENGXLSNKPZQF-CQSZACIVSA-N 333.819 3.761 0 50 EHAA O=C(c1ccc(C(F)(F)F)cc1O)N1CC=C(C(F)(F)F)CC1 272055160 MIXJGSCRQLGZBV-UHFFFAOYSA-N 339.235 3.746 0 50 EHAA OC[C@@H](NCc1ccccn1)c1ccc(Cl)cc1C(F)(F)F 280252091 LDSNTXAYMMSINR-CQSZACIVSA-N 330.737 3.577 0 50 EHAA O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)[C@H]1CCOc2ccccc21 281096711 QKPNBVCFPNFPEP-HEHGZKQESA-N 347.336 3.642 0 50 EHAA Cn1nc2c(c1C(=O)N1CCCCC[C@H]1c1ccco1)CCCC2 299775084 JTYSTHMWQIQPIU-INIZCTEOSA-N 327.428 3.649 0 50 EHAA COC1(c2noc(-c3cccc(OCc4cccnc4)c3)n2)CCC1 328593913 YRHJFLCUTBEKJH-UHFFFAOYSA-N 337.379 3.736 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N1CC=C(c2ccc(F)cc2)C1 368435157 LDIXLBBPBJDLMT-UHFFFAOYSA-N 327.359 3.931 0 50 EHAA C[C@H](c1ccc(C(=O)N2CCOC3(CCC3)C2)cc1)C(F)(F)F 456010494 GPGQZPZWRIKDBN-GFCCVEGCSA-N 327.346 3.748 0 50 EHAA Cc1cnc([C@H](C)n2cnc3sc(-c4ccccc4)cc3c2=O)[nH]1 584885658 PFHIHNYZJJTMJR-LBPRGKRZSA-N 336.420 3.766 0 50 EHAA COc1ccccc1[C@H](CN[C@@H]1COC2(CCC2)C1)N1CCCCC1 657846760 RVZXLMCQVNNNEU-HKUYNNGSSA-N 344.499 3.523 0 50 EHAA Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCc1noc(C2CC2)n1 660972033 VPVBZELCINZBBC-OAHLLOKOSA-N 340.427 3.611 0 50 EHAA Cc1cc(C)cc(-c2ccc(CN(C)C3(CO)CCOCC3)cc2)c1 668804467 BQNCVQIUNZKLMT-UHFFFAOYSA-N 339.479 3.944 0 50 EHAA c1ccc2oc([C@H]3CCCN(C4CSCCSC4)C3)nc2c1 670465978 BZHIKALLQQEBEP-ZDUSSCGKSA-N 334.510 3.856 0 50 EHAA O=C(N[C@@H]1CCCN(Cc2cccs2)C1)c1cccc2cc[nH]c12 828177542 OOVNRNWEYAZTIQ-OAHLLOKOSA-N 339.464 3.624 0 50 EHAA Oc1ccc(F)c(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1F 858017703 TXXFRFYBJUJING-CQSZACIVSA-N 346.377 3.596 0 50 EHAA COc1ccccc1[C@H]1CCCN(c2nc3cnccc3n2C)CC1 866270995 AVHJHUNOKWQDCP-HNNXBMFYSA-N 336.439 3.751 0 50 EHAA Cc1cc(Cn2c(-c3ccccc3)nnc2N2C[C@H]3CCC[C@H]3C2)no1 910500485 JSLNWBDSDAPBRY-CALCHBBNSA-N 349.438 3.526 0 50 EHAA Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(C(F)F)ncn1 929705418 UBVSRTIQKAMCRT-HNNXBMFYSA-N 334.370 3.510 0 50 EHAA CCc1nc2c(C(=O)N3CCC[C@H]3Cc3ccccc3C)ccnc2[nH]1 932877915 KGMWXNBMNZWLDP-INIZCTEOSA-N 348.450 3.676 0 50 EHAA CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC[C@H](OC(F)F)C1 952845200 IJDYAWHOCWNQLY-ZDUSSCGKSA-N 331.790 3.749 0 50 EHAA Cc1csc(NCCOC(=O)Cc2c(Cl)cccc2Cl)n1 952876473 RUDNKTPCABJWOW-UHFFFAOYSA-N 345.251 3.956 0 50 EHAA COc1ccc(CN[C@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1F 952964828 PNSJTTHAPKWAHB-JSMJAWQLSA-N 333.447 3.644 0 50 EHAA CC(C)c1ccccc1NC(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1 1192261282 MZVIFECLVLHRSI-UHFFFAOYSA-N 347.459 3.941 0 50 EHAA CCc1cc(O)ccc1-c1cc(C)ccc1OCCNCCOC 1772704361 SYNWJBWJTLXUPO-UHFFFAOYSA-N 329.440 3.545 0 50 EHAA Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]32)c2cc(Br)ccc2n1 1875264832 ZHMAWCFTAFEUTJ-IFUGULHKSA-N 345.240 3.834 0 50 EHAA CC(C)c1ccc(C(C)C)c(NC(=O)CN2CCC[C@H](C(=O)O)C2)c1 1875277163 BDPXICOTWOYTIG-INIZCTEOSA-N 346.471 3.669 0 50 EHAA CCCc1ncc(CN[C@@H]2CC3(CCOCC3)Oc3ccccc32)o1 1875284820 ONHZDMVCVQGTPM-QGZVFWFLSA-N 342.439 3.790 0 50 EHAA CN(c1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1C[C@@H](CC(=O)O)C1 1875307184 WPEDANYVUQSJRL-GASCZTMLSA-N 339.391 3.943 0 50 EHAA CCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 78343 PSQUYVWVHWNPIG-UHFFFAOYSA-N 338.411 3.849 0 50 EHAA CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)cc1 309941 LUDZMGOHPHOLTG-UHFFFAOYSA-N 342.420 3.635 0 50 EHAA COc1nc2ccccc2cc1-c1cnc2c(OC(C)C)nccn12 2356140309 DGYDWFRZDGPBDN-UHFFFAOYSA-N 334.379 3.740 0 50 EHAA O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1 2942647 GGMBIOIEIDGNPI-SXGWCWSVSA-N 339.372 3.652 0 50 EHAA COc1cccc(CN2CCN(c3cccc(C)c3C)CC2)c1OC 55543772 UPGFXCUPJNOFGN-UHFFFAOYSA-N 340.467 3.643 0 50 EHAA CCS(=O)(=O)c1ccc(N[C@H]2CCO[C@@H](c3ccccc3)C2)cc1 225523159 IVCVEMNTYZXNCP-PKOBYXMFSA-N 345.464 3.812 0 50 EHAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N[C@@H](C)C(=O)OC(C)(C)C 225604639 LTZSMDRPZOJXMP-RYUDHWBXSA-N 331.378 3.956 0 50 EHAA Cc1nc(N2CCC[C@@H](C)C2)nc2c1C(=O)C[C@@H](c1ccco1)C2 9483748 XPVWTNBMFRKEBU-OCCSQVGLSA-N 325.412 3.527 0 50 EHAA CC1(C)Cc2cc(-c3nc4c(cnn4Cc4cccnc4)[nH]3)ccc2O1 20541493 QTSOWKJYYLZQJW-UHFFFAOYSA-N 345.406 3.583 0 50 EHAA CC[C@@H](COC)NC(=O)c1ccc(CSc2ccccn2)cc1 55196195 QNTBQGKSBRSDDU-INIZCTEOSA-N 330.453 3.529 0 50 EHAA Cc1sc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)nc1-c1ccccc1 101686324 MUCIWSNWQQMRAQ-ZIAGYGMSSA-N 326.421 3.798 0 50 EHAA Cc1noc(-c2ccccc2NC(=O)COc2ccccc2Cl)n1 22460813 PXALVEPXHOMSHC-UHFFFAOYSA-N 343.770 3.716 0 50 EHAA Cc1cccc(-n2ccnc2-c2c(-c3ccccc3)ncn2CCO)c1 65433355 JVWYHEHCVCYKNY-UHFFFAOYSA-N 344.418 3.704 0 50 EHAA Cc1cc(-n2cccn2)ccc1[C@H]1CC(=O)Nc2n[nH]c(C3CCC3)c21 65427979 JNEOVTPWLLXOHI-MRXNPFEDSA-N 347.422 3.645 0 50 EHAA CC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H]2c2cccs2)cc1 251015841 ASVTUSWKXGUDDQ-AEFFLSMTSA-N 345.464 3.528 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)NCCC[C@@H]3CCOC3)c2c1 77472340 LABYNCIKZHTUKR-MRXNPFEDSA-N 326.440 3.652 0 50 EHAA CC[C@@H](NC(=O)c1nn2cccnc2c1Cl)c1ccc(C)cc1 2793422 OIMCSBLMCRWUMQ-CYBMUJFWSA-N 328.803 3.572 0 50 EHAA CCn1nc(C)c(CN(C)C(=O)c2cc(-c3cccs3)on2)c1C 2802319 UHXAFSPUJBAYFR-UHFFFAOYSA-N 344.440 3.509 0 50 EHAA Cc1noc([C@H](C)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 229684999 NLUUQHRCYDBOCG-XJKSGUPXSA-N 337.427 3.709 0 50 EHAA C[C@H](SC(F)(F)F)C(=O)N1CCC(OCc2ccccc2)CC1 328590536 XCIFRYKFWXNBBQ-LBPRGKRZSA-N 347.402 3.836 0 50 EHAA O=C(O)[C@]1(Cc2ccc(F)cc2)CCCN(c2ccc(Cl)cn2)C1 71764688 ZPMAHVKFJIDBTR-SFHVURJKSA-N 348.805 3.788 0 50 EHAA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2Cl)CC(=O)N1 4913572 SHCONUCOZFOERW-CQSZACIVSA-N 333.815 3.703 0 50 EHAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1 6402441 HGVAJYUWPFBDPF-MSOLQXFVSA-N 338.407 3.502 0 50 EHAA FC(F)(F)c1ccn([C@H]2CCCN(CCCc3ccncc3)C2)n1 360609575 DTPZKMKVOFJXBA-HNNXBMFYSA-N 338.377 3.567 0 50 EHAA CCc1noc(C2CCC(NCc3ccc4c(n3)CCCC4)CC2)n1 253425233 BWNWSVKJAYZTEW-UHFFFAOYSA-N 340.471 3.722 0 50 EHAA CCN(C(=O)c1ccnn1C)[C@H](C)c1cccc(C(F)(F)F)c1 122188791 MRJBMYSIZFJOTJ-LLVKDONJSA-N 325.334 3.662 0 50 EHAA CC(C)n1nccc1[C@@H]1OCCC[C@H]1c1nc(-c2cncs2)no1 329689744 VTDJMDSIXFIIBL-BXUZGUMPSA-N 345.428 3.606 0 50 EHAA Fc1ccccc1-c1nc(CN2CC[C@]3(CCCOC3)C2)cs1 375271832 HIKBDROBZPBHOU-GOSISDBHSA-N 332.444 3.952 0 50 EHAA Fc1ccccc1C1CC(NC[C@@H]2CCN(CC(F)(F)F)C2)C1 237810102 XEQXLDUJTQQLAB-HSBZDZAISA-N 330.369 3.546 0 50 EHAA O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(NCC2CC2)CC1 261781133 XVWQJXXWSFJQCV-UHFFFAOYSA-N 341.377 3.701 0 50 EHAA O=C(c1cccc(Cl)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 376231574 RYMCSAMTXDFYPI-QYZOEREBSA-N 341.838 3.985 0 50 EHAA O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](Nc2ccccc2)C1 126241403 IYWICYRZDMJUEP-GOSISDBHSA-N 333.435 3.814 0 50 EHAA O=C(C[C@@H]1CCCN1)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 157276332 RICXPSQTYDGMFF-AWEZNQCLSA-N 339.370 3.715 0 50 EHAA CC(C)c1nccc(-c2nccn2Cc2ccc3nsnc3c2)n1 71757316 SHVQDANPGBPVEW-UHFFFAOYSA-N 336.424 3.517 0 50 EHAA CN(C)C(=O)CCc1ccc(NC(=O)c2ccccc2Cl)cc1 36565642 VPLQZQJSBUPJNX-UHFFFAOYSA-N 330.815 3.613 0 50 EHAA Cc1nc(CNC(=O)N2CC3(CCCCC3)[C@@H]2c2ccccc2)no1 333074681 AYEJJDXJSILXIK-KRWDZBQOSA-N 340.427 3.595 0 50 EHAA Nc1ncccc1CN1CCC[C@@H](CCc2c(F)cccc2F)C1 71770910 GSQXENQZEUXIMW-AWEZNQCLSA-N 331.410 3.787 0 50 EHAA CNC1CCN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)CC1 237086625 YCDKZKMEXOAZGW-HWKANZROSA-N 346.780 3.582 0 50 EHAA Cc1cc([C@H]2CCCN(C(=O)N[C@H](C)c3ccc(F)cc3F)C2)[nH]n1 283305683 XTBJHLSAGKUYLL-OLZOCXBDSA-N 348.397 3.647 0 50 EHAA C[C@@H](NC(=O)C1CCNCC1)c1ccc(Oc2ccccc2)c(F)c1 225462503 RFOXQPREYPJCHC-CQSZACIVSA-N 342.414 3.795 0 50 EHAA CN(Cc1csc(-c2cccs2)n1)C(=O)[C@@H](N)c1ccccc1 82097708 UZXOFAPZEJQPJU-HNNXBMFYSA-N 343.477 3.530 0 50 EHAA CN1CCCC[C@H]1C(=O)NCCCSCc1ccccc1Cl 97637918 JBNKCKHKUOHWQR-INIZCTEOSA-N 340.920 3.564 0 50 EHAA CCn1cc(CNC(=O)N2CCCC[C@@H]2CCc2cccs2)cn1 426668270 HUVREYUIBXVOMF-MRXNPFEDSA-N 346.500 3.661 0 50 EHAA COCCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1C 21992166 BSXAHDOWMOSVAP-UHFFFAOYSA-N 343.452 3.974 0 50 EHAA biogenic,in-vitro CCNc1ncc(C(=O)NCc2ccc(-c3ccccc3)cc2)cn1 95360593 ZNTWHHNNIKXATN-UHFFFAOYSA-N 332.407 3.505 0 50 EHAA O=C(O)c1cccc([C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)c1 95360982 AXTSTQCDROVGKR-SFHVURJKSA-N 348.402 3.886 0 50 EHAA C[C@@H](C(=O)N(C)Cc1cccc(C(F)(F)F)c1)N1CCCCCC1 510522229 HODZHBHHOXPIIC-AWEZNQCLSA-N 342.405 3.928 0 50 EHAA NC[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 97334219 HBGRYZMJYHXFEO-HNNXBMFYSA-N 325.412 3.682 0 50 EHAA O=C(c1ccccc1-n1cnnc1)N(Cc1ccccc1)C1CCCC1 97499543 UNVSPKQEIUJDEI-UHFFFAOYSA-N 346.434 3.852 0 50 EHAA COc1ccc2oc([C@H](C)NCc3n[nH]c(C(C)C)n3)c(C)c2c1 293039333 DVEWVSVLUYQGIS-LBPRGKRZSA-N 328.416 3.842 0 50 EHAA CC[C@](C)(OC)C(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1Cl 294373695 OTFKGSRRTCMIBJ-OQPBUACISA-N 338.757 3.746 0 50 EHAA Cc1ccc(-n2cnc(C(=O)N(C)c3ccc(Cl)cc3)n2)cc1 252484587 FZUYPOHJSLVRRX-UHFFFAOYSA-N 326.787 3.506 0 50 EHAA CN1[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(-c3cscn3)cc1)CC2 299791273 CLHCVSCYJDBOKD-JKSUJKDBSA-N 342.468 3.511 0 50 EHAA CC[C@H](C)Cc1nc(-c2ccn(C(F)F)n2)n(-c2ccncc2)n1 822619960 BPODNPOJQDLPRU-NSHDSACASA-N 332.358 3.510 0 50 EHAA FC(F)(F)CN1CCN(Cc2cccc(OC3CCCC3)c2)CC1 952972532 VCTMEIXOONDNBF-UHFFFAOYSA-N 342.405 3.688 0 50 EHAA Clc1ccccc1OC[C@H]1CCCN(c2nnc(C3CC3)o2)C1 278407758 NKODXNADXYOOHK-LBPRGKRZSA-N 333.819 3.896 0 50 EHAA Cc1cc(N)nc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)n1 170637172 ZJQZQPCZIBVBEO-UHFFFAOYSA-N 347.443 3.913 0 50 EHAA Cc1cc(Cl)ccc1Cc1cnc(NC(=O)C2=CCOCC2)s1 192784108 LSZOKFMALJXEEX-UHFFFAOYSA-N 348.855 3.981 0 50 EHAA O=C(Nc1ccccc1)C(=O)N1CCCC[C@@H]1CCc1cccs1 1506416801 GKDXQNGSBGQQKC-MRXNPFEDSA-N 342.464 3.701 0 50 EHAA O=C(c1ccc(Cl)cn1)N1CCC2(CC1)OCCc1sccc12 1704343434 XLOVDGPMNRVBGQ-UHFFFAOYSA-N 348.855 3.501 0 50 EHAA CC(=O)Nc1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 11991305 WOBMYUDWGNSNPH-UHFFFAOYSA-N 326.396 3.786 0 50 EHAA Cc1ccc(C(=O)N2CC[C@@]3(CCCN(CC(C)(C)C)C3=O)C2)s1 12025258 HJMHIQQPERBHFE-IBGZPJMESA-N 348.512 3.557 0 50 EHAA CCn1cc(CN2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c(C)n1 12301039 COURMZPYYCVBCQ-HXUWFJFHSA-N 326.488 3.905 0 50 EHAA CN(Cc1ccccn1)CC1CCN(CCc2ccc(F)cc2)CC1 12449439 OBBTWKGRUUAFAR-UHFFFAOYSA-N 341.474 3.607 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)s1 12578959 RIMHGDPRLYWOAD-KRWDZBQOSA-N 328.481 3.793 0 50 EHAA Cc1ccc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCCN24)cc1C 12701561 HHYYPTGYAVMHFP-VCOUNFBDSA-N 338.495 3.984 0 50 EHAA COCC[C@H]1CCCCN1Cc1nc(Cc2ccccc2Cl)no1 15077834 JNUMHRMJCBSPFI-OAHLLOKOSA-N 349.862 3.705 0 50 EHAA O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1COc2ccccc2O1 16994131 VSRKEERIZWSZLP-MRXNPFEDSA-N 338.388 3.589 0 50 EHAA CC(C)[C@H]1CN(C(=O)CCC(F)(F)F)C[C@@H](c2ccccc2)O1 1857736807 XKIPEZXKVFHBMD-CABCVRRESA-N 329.362 3.954 0 50 EHAA CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)cc1 2781099 MKDOXRWEOJRIBH-UHFFFAOYSA-N 335.285 3.676 0 50 EHAA in-vitro Cc1noc([C@H](NCc2c(C)cc(Cl)cc2C)C2CCOCC2)n1 328645480 ZRSLNWAMMYYCKX-QGZVFWFLSA-N 349.862 3.906 0 50 EHAA c1cc2n[nH]cc2cc1Cc1noc(-c2cc(C3CCCCC3)[nH]n2)n1 800117130 QLLHOUNVBUGPOX-UHFFFAOYSA-N 348.410 3.975 0 50 EHAA Cc1ccc(Cc2noc(C[C@H]3CC(=O)Nc4ccccc43)n2)cc1C 904107941 BFNGDQTXXVPZKU-MRXNPFEDSA-N 347.418 3.946 0 50 EHAA C/C(=C\c1ccccc1Cl)C(=O)N1[C@H]2CC[C@H]1c1cncnc1C2 952993053 ASLDYLSNAVDXKO-ZKIMDJRRSA-N 339.826 3.822 0 50 EHAA O=C(OCc1ccc2nonc2c1)c1c2c(nc3ccccc13)CCC2 34404 VZXJTBGWRDTPQO-UHFFFAOYSA-N 345.358 3.617 0 50 EHAA O=C1c2cccc3cccc(c23)C(=O)N1CCOCc1ccccc1 4174579 CQAXZOWZXLYASA-UHFFFAOYSA-N 331.371 3.653 0 50 EHAA Cc1cc(O[C@H]2CCN(C(=O)Nc3cccc4cc[nH]c34)C2)ccn1 2325825912 HMTXRRRYVILXFU-INIZCTEOSA-N 336.395 3.557 0 50 EHAA CCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2)C1=O 121596 VBCLBDZUCUCVEY-UHFFFAOYSA-N 342.782 3.521 0 50 EHAA COc1ccc(-c2noc(COc3ccccc3C)n2)cc1OC 355357 DERRMDAAWZDWBE-UHFFFAOYSA-N 326.352 3.641 0 50 EHAA COc1ccc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 460895 PXGNPBDNUUSXIO-UHFFFAOYSA-N 333.815 3.822 0 50 EHAA CC(C)C(=O)NCCc1nc2ccccc2n1[C@H](C)c1ccccc1 560854 NOZVNKDJPRZSDI-MRXNPFEDSA-N 335.451 3.960 0 50 EHAA COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)[C@@H]1CCCO1 1056608 KBQXOIQZLUEAHN-AWEZNQCLSA-N 345.420 3.628 0 50 EHAA Cc1cc(C)nc(-n2ncc3c2C[C@@H](c2ccccc2C)CC3=O)n1 2231268 UXUICZXIVJZMKE-OAHLLOKOSA-N 332.407 3.500 0 50 EHAA O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1cccnc1 2324714 GYKQNMBQFTVGJA-UHFFFAOYSA-N 342.786 3.746 0 50 EHAA COc1ccc([C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1Cl 4487302 XXETZZOTNNPDDU-NSHDSACASA-N 347.798 3.840 0 50 EHAA CCCCOC(=O)c1cc(N2CCOCC2)c2c(C)ccc(C)c2n1 21985664 BASIJJNBMSZDLJ-UHFFFAOYSA-N 342.439 3.645 0 50 EHAA O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 374407 RCWXNQPZQYFGJJ-RKDXNWHRSA-N 347.749 3.953 0 50 EHAA SC1=NC2=C([C@H](c3ccc(Cl)cc3Cl)N1)N1CCC2CC1 36589804 CCLLAYJCABXYNK-ZDUSSCGKSA-N 340.279 3.861 0 50 EHAA O=C(c1ccc2ccccc2c1)N1N=C(C2CC2)C[C@]1(O)C(F)(F)F 6345414 IKZQMPHDJRAZSS-KRWDZBQOSA-N 348.324 3.703 0 50 EHAA O=C([C@H]1C[C@@H]1c1cccc(O)c1)N1CCC[C@H](Nc2ccccc2)C1 253430065 WYAGSYBNFQBOKE-SXLOBPIMSA-N 336.435 3.599 0 50 EHAA O=C([C@@H]1Cc2ccccc2O1)N(Cc1ccsc1)c1cccnc1 171353372 MBMJPYYUFYHFQT-SFHVURJKSA-N 336.416 3.680 0 50 EHAA CCCCC[C@H]1/C=C/[C@@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 33968860 UTLCNJREJFJDLH-LBHGIJFJSA-N 336.472 3.523 0 50 EHAA Cc1cccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)c1C 33088830 MSXNVIVDTANMAY-CYBMUJFWSA-N 332.403 3.988 0 50 EHAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2cccc(-n3cnnc3)c2)C1 77438036 SWSUVXHWAOXSKG-GOSISDBHSA-N 346.434 3.596 0 50 EHAA CCc1cc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)ncn1 71762906 HXEWPDORFMBJRY-HNNXBMFYSA-N 338.238 3.924 0 50 EHAA COc1ccc(OCC2CCN(Cc3cncn3C(C)C)CC2)cc1 216228742 AXNSXLANALUIKK-UHFFFAOYSA-N 343.471 3.764 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H]1CCCOc2ccccc21 155298112 KZYCZGLMQIRGJY-MLGOLLRUSA-N 327.428 3.550 0 50 EHAA Cc1ccc([C@@H]2CN([C@H](C)c3noc(-c4ccccc4)n3)CCO2)o1 367060361 BKXVXNRAZLKAGE-PBHICJAKSA-N 339.395 3.773 0 50 EHAA CN(Cc1ccc(-n2ccnc2)cc1)Cc1ccc(-n2cccn2)cc1 72173770 DVNJXZIOWLDESY-UHFFFAOYSA-N 343.434 3.690 0 50 EHAA COc1nc(C)c(C(=O)N2CCC[C@@H](c3cccc(C)c3)C2)s1 77521965 VQAWAMQGBQYJCL-OAHLLOKOSA-N 330.453 3.788 0 50 EHAA Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1C 242346999 ZKYTZJLVXBFHCW-FCGDIQPGSA-N 342.483 3.963 0 50 EHAA CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(C3CC3)nc21 20603348 VMAAKKPBSZJYMZ-UHFFFAOYSA-N 329.347 3.931 0 50 EHAA CCc1oc(C(N)=O)cc1CN1C[C@H](c2ccccc2)C(C)(C)C1 426383780 IUWYSGXRDBNOHI-MRXNPFEDSA-N 326.440 3.567 0 50 EHAA Cc1cc(N2CCC[C@H](c3nccn3C)C2)c2cc(F)cc(F)c2n1 95524621 IIGZLWKKROCZKA-ZDUSSCGKSA-N 342.393 3.939 0 50 EHAA c1ccc([C@H](NCc2ncn(-c3ccccc3)n2)c2nccs2)cc1 179764270 MSNYSLFLSPRUHM-SFHVURJKSA-N 347.447 3.603 0 50 EHAA Clc1ccc2nc(CCN[C@@H]3CCN(c4ccccc4)C3)[nH]c2c1 825573682 DZKSJEYDHXENRC-OAHLLOKOSA-N 340.858 3.627 0 50 EHAA Cc1cc2c(cc1CN1CCC[C@H]1c1nc3ccccc3n1C)OCO2 825151066 FFVKGKDYPVTUIE-SFHVURJKSA-N 349.434 3.948 0 50 EHAA CCc1nc(N[C@H](C(N)=O)c2ccc(Cl)cc2)c2ccsc2n1 1337636052 CGFAJZOOCKUIGZ-ZDUSSCGKSA-N 346.843 3.546 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)C1 269233676 AYOCPCGWAZBDCL-MBNYWOFBSA-N 343.298 3.758 0 50 EHAA Cc1nc(CC(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)c(C)s1 165485685 LOYVLADNEKMYCR-JTQLQIEISA-N 348.472 3.611 0 50 EHAA CC(=O)Nc1ccc(N[C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1 272708338 BZZQQXKWJHKOQG-LPHOPBHVSA-N 337.467 3.968 0 50 EHAA CC[C@H](OC1CCCC1)C(=O)NC(C)(C)c1nc2ccccc2n1C 186806779 HXCUVZFHBNIACZ-KRWDZBQOSA-N 343.471 3.662 0 50 EHAA Cc1ccc(NC(=O)C2CC2)cc1N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 170595388 DXWVIULFMMBWTJ-NXHRZFHOSA-N 326.440 3.713 0 50 EHAA Cc1cc(C)n([C@@H](C)Cc2nc(-c3ccc(C(F)F)nc3)no2)n1 664957278 DFNHKHWNOLWWMD-NSHDSACASA-N 333.342 3.686 0 50 EHAA Cc1ncc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(C(C)C)n1 685019964 JFXMUYVCMMONPI-UHFFFAOYSA-N 333.775 3.512 0 50 EHAA CCCC[C@@H]1CN(c2ccc(Cl)c(C(=O)O)n2)C[C@H](C2CC2)O1 1529172284 BXORFCWWCLDLEI-TZMCWYRMSA-N 338.835 3.607 0 50 EHAA Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)c2ccc(F)cc2)C1 12438585 CVKKPQAIYUORPA-NRFANRHFSA-N 341.426 3.592 0 50 EHAA Cc1cc(-c2cnnc(N3CC[C@H](c4ccc(F)cc4)C3)n2)c(C)o1 12459008 CLSNBPZIMDBCNZ-HNNXBMFYSA-N 338.386 3.881 0 50 EHAA CCCN1CCC(NC(=O)C(C)(C)Oc2ccccc2C(C)C)CC1 16579948 TWWGWJKRVXNADM-UHFFFAOYSA-N 346.515 3.958 0 50 EHAA CN1C[C@@H](n2ccnc2-c2cccc(OCc3ccccc3)c2)CC1=O 1857670755 YPXCDYHCCFWFHX-SFHVURJKSA-N 347.418 3.532 0 50 EHAA O=C1C[C@@H](n2ccnc2-c2ccncc2)CN1c1cccc(Cl)c1 1857733796 YVWAABSDXMJWKD-MRXNPFEDSA-N 338.798 3.577 0 50 EHAA Cc1noc([C@H](NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C(C)C)n1 229580756 HZIGFPZQORPERY-IJLUTSLNSA-N 333.354 3.560 0 50 EHAA O=C(Nc1ccccc1CN1CCSCC1)c1ccc(Cl)cn1 119594170 LREFRMZFTNMTTE-UHFFFAOYSA-N 347.871 3.536 0 50 EHAA C[C@@H](CC(=O)N1CC[C@](C)(C(=O)O)C1)c1cccc(C(F)(F)F)c1 237340099 LKJAXSMXGVKMGF-ZBEGNZNMSA-N 343.345 3.522 0 50 EHAA Cc1n[nH]c(C)c1CN1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 248019998 LNTBDYGLRRKZNA-CTNGQTDRSA-N 335.451 3.530 0 50 EHAA CCc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ccccc2)nc1 253608583 JTCNSZIQPWQKOV-IRLDBZIGSA-N 335.495 3.740 0 50 EHAA O=C(c1cccc(O)n1)N(CCc1ccc(Cl)cc1)CC1CC1 253630027 ONFAPMXDJOSPLW-UHFFFAOYSA-N 330.815 3.536 0 50 EHAA Cc1c(C(=O)NCc2ccc(CN(C)C)s2)[nH]c2ccc(F)cc12 2325790414 KCBZJVXJOSUTIL-UHFFFAOYSA-N 345.443 3.669 0 50 EHAA COc1ccc([C@@H](CF)NC(=O)c2ccc3ncsc3c2)cc1 2325817369 KAFLOGMYQURXBN-OAHLLOKOSA-N 330.384 3.746 0 50 EHAA CCc1cc(F)cc(C(=O)N2CC[C@@H]3C[C@@H](CC(=O)O)CC[C@@H]3C2)c1 2325879901 LTHOBTDCEDNDTR-ARFHVFGLSA-N 347.430 3.741 0 50 EHAA Cc1c(C(=O)OCc2nc3ccccc3o2)cnn1Cc1ccccc1 915533998 TUYABIKWBKPAPE-UHFFFAOYSA-N 347.374 3.738 0 50 EHAA C[C@H]1C[C@H](C(=O)N2CCOc3ccc(C(F)(F)F)cc32)C[C@@H](C)O1 245289634 DDSNRHRCBAQHOM-ZSBIGDGJSA-N 343.345 3.634 0 50 EHAA Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 309779 KIJAJUCPDIQNKO-GFCCVEGCSA-N 346.789 3.779 0 50 EHAA O=C(CSc1nnc(-c2ccccc2)o1)Nc1cccc(F)c1 1074324 KGFYCEYGQMWERP-UHFFFAOYSA-N 329.356 3.607 0 50 EHAA COc1cc(C=O)ccc1OCCOCCOc1cc(C)ccc1C 2985408 GWNHRVHDIPFFNP-UHFFFAOYSA-N 344.407 3.599 0 50 EHAA CCc1nc(N[C@@H](CCSC)C(=O)O)c2oc3ccccc3c2n1 6605191 VPFZJOZNCDOAEJ-NSHDSACASA-N 345.424 3.557 0 50 EHAA O=C(CSc1cn[nH]n1)Nc1ccc(/C=C/c2ccccc2)cc1 6700611 BANCKTBCVPDROV-VOTSOKGWSA-N 336.420 3.706 0 50 EHAA CC(C)[C@H]1N(C(=O)c2cnn(C(C)C)c2C2CC2)CC12CCOCC2 413969906 FQSUWVANUUZJIW-GOSISDBHSA-N 345.487 3.619 0 50 EHAA COCCN(Cc1ccc2c(c1)OCCCO2)Cc1cccs1 55036372 GTNVLKPICSYUPG-UHFFFAOYSA-N 333.453 3.558 0 50 EHAA CCOC(=O)C(=O)CC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 100031543 RCBASMSEIMZMQR-UHFFFAOYSA-N 346.766 3.837 0 50 EHAA Cc1ccc(-c2noc(Sc3nnnn3C3CCCCC3)n2)cc1 4833379 WDLYLBHFAOSPDW-UHFFFAOYSA-N 342.428 3.688 0 50 EHAA O=C(Nc1c[nH]nc1-c1nccs1)N[C@H]1C[C@H](c2ccccc2)C1 436410574 KHFCTLFHSLLXDM-JOCQHMNTSA-N 339.424 3.601 0 50 EHAA CCn1ccnc1-c1nccn1-c1cccc(-c2nnc(C)s2)c1 71721460 VWHXRYBFBURSBF-UHFFFAOYSA-N 336.424 3.583 0 50 EHAA CC(C)C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1csnn1 12576018 JHHMMNLBTNOCIV-INIZCTEOSA-N 340.452 3.805 0 50 EHAA S=C1O[C@]2(C[C@@H]3C=C[C@H]4C=C[C@@H]2[C@H]43)[C@@]2(C[C@@H]3C=C[C@@H]4C=C[C@@H]2[C@H]43)O1 216417076 MJCXAPCUBRDHDH-JKTXMTGKSA-N 336.456 3.812 0 50 EHAA CSCc1ccc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)o1 218824283 HFGYVCUDNZOPPH-INIZCTEOSA-N 341.436 3.510 0 50 EHAA c1ccc(-c2noc(CNc3ccccc3O[C@@H]3CCOC3)n2)cc1 127533066 QBAYQMOVYNAGQL-OAHLLOKOSA-N 337.379 3.516 0 50 EHAA Nc1ncccc1CN1CCC[C@@H](C(=O)c2cccc3ccccc23)C1 71756914 HCKYXAVWMZLVIU-QGZVFWFLSA-N 345.446 3.912 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N(C)Cc3cnn(CC)c3)c2c1 77343013 PCRIIMXQSLGROD-UHFFFAOYSA-N 336.439 3.594 0 50 EHAA Cc1ccnc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)c1 77438856 RSBMTFYTHCCGID-HXUWFJFHSA-N 327.472 3.542 0 50 EHAA Cc1ccc(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1F 13320514 RSSLZSHPLRQKNQ-UHFFFAOYSA-N 345.393 3.623 0 50 EHAA Cc1noc(C)c1NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 71771152 QIQDYGLYCAAXSU-AWEZNQCLSA-N 335.791 3.550 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CC=C[C@@H]3CO)c3ccccc3n2)cc1 72429555 ZBIHTHGOSDSNOC-QGZVFWFLSA-N 344.414 3.583 0 50 EHAA COc1cc(C(C)=O)ccc1Sc1ncc(Br)cn1 129776372 HTBLOENJJKKMGM-UHFFFAOYSA-N 339.214 3.602 0 50 EHAA C[C@@H](NC(=O)N(C)Cc1n[nH]c2c1CCCCC2)c1ccc(F)cc1 426530762 HLKQWZWBTNMCSJ-CYBMUJFWSA-N 344.434 3.720 0 50 EHAA CC[C@H](NC(=O)c1csc(SC)n1)c1nc(C)c(C)s1 220039083 MZJPSRSFBFDAHL-VIFPVBQESA-N 327.500 3.819 0 50 EHAA CCN(C(=O)Nc1cccc(-c2ccn[nH]2)c1)[C@@H]1CCOC(C)(C)C1 96161936 YEIUHZWPKPCGKI-MRXNPFEDSA-N 342.443 3.888 0 50 EHAA CC(C)Cn1cc(C(=O)N[C@H](c2ccccc2)c2nccs2)cn1 181044512 JCWAMNLKGFOFPS-MRXNPFEDSA-N 340.452 3.515 0 50 EHAA C[C@@H](CC(=O)Nc1ccccc1CN1CCOCC1)CC(C)(C)C 614996712 XZSYNLMWMWDOID-INIZCTEOSA-N 332.488 3.920 0 50 EHAA CC[C@@H](C)C(=O)Nc1ccccc1NC(=O)c1cn2ccccc2n1 822560170 YJGFMXMXXPDOLU-CYBMUJFWSA-N 336.395 3.571 0 50 EHAA CC[C@H]1C=CCN1S(=O)(=O)c1ccc(-c2csc(C)n2)s1 952976202 RGMLKHZWAPDYOX-NSHDSACASA-N 340.495 3.519 0 50 EHAA Cc1cccc(NC(=O)NCc2cccc(CO)c2)c1Br 185492140 QKWVGIJQIUOEIK-UHFFFAOYSA-N 349.228 3.572 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cnn([C@@H](C)C2CC2)c1 189654269 OIOFLMZYYOQGFR-XJKSGUPXSA-N 342.447 3.563 0 50 EHAA Cc1ccc(CN(CC2CC2)C(=O)c2cc3ccccc3n2C)cn1 648528790 SCVMRGUKVOJLEJ-UHFFFAOYSA-N 333.435 3.934 0 50 EHAA COc1cc(CNC2(c3cccc(F)c3)CCOCC2)ccc1C 194345675 IBCBXWNQVXDSSU-UHFFFAOYSA-N 329.415 3.938 0 50 EHAA C[C@@H]1CCN(C(=O)Cc2nnc(-c3ccccc3)n2C)c2ccccc21 195525379 UPNPKRODELLKDK-OAHLLOKOSA-N 346.434 3.565 0 50 EHAA COc1c(C)cnc(CN2CCOc3ccc(Cl)cc3C2)c1C 1529195317 IYTGHZDGAXFURN-UHFFFAOYSA-N 332.831 3.755 0 50 EHAA CC[C@@]1(C(N)=O)CCCN(c2cc(C)c3ccc(Cl)cc3n2)C1 1704324716 DMFXIXUARXDCCO-GOSISDBHSA-N 331.847 3.679 0 50 EHAA COc1cccc(CC[C@H]2CCCN(C(=O)c3csc(C)n3)C2)c1 12718547 HPPYHNDGDVGEMO-MRXNPFEDSA-N 344.480 3.945 0 50 EHAA COc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1 13115513 HHMZFUHUAVTIGQ-UHFFFAOYSA-N 339.420 3.544 0 50 EHAA Cc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1C 13945008 YTAPPFUEWWTFQP-UHFFFAOYSA-N 338.436 3.581 0 50 EHAA O=C(c1ccccc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 19368870 IKGGLYOQXBSLEE-UHFFFAOYSA-N 348.368 3.663 0 50 EHAA Cc1cc(C)cc(OCCCN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)c1 1857693398 VQWJTPIECSBBSF-IBGZPJMESA-N 346.515 3.651 0 50 EHAA COc1ccc2ccccc2c1CNC(=O)N1CC[C@@H](OC)C[C@@H]1C 225650110 ZRYIXQLKFWEFJE-GOEBONIOSA-N 342.439 3.557 0 50 EHAA O=C(O)c1ccccc1-c1ccccc1C(=O)N1CCCC(F)(F)C1 652082804 JOICLVAKXPOIPT-UHFFFAOYSA-N 345.345 3.923 0 50 EHAA O=C(c1ccoc1Cl)N(CCOc1ccccc1)C1CCOCC1 252500852 TWNZLBRGYUWXDQ-UHFFFAOYSA-N 349.814 3.633 0 50 EHAA COc1cc(C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1OC(C)=O 143028374 KUGMSYFFXZDRGR-WIBUTAKZSA-N 346.423 3.992 0 50 EHAA biogenic CC[C@@H]1COCCN1C(=O)Nc1cccc(Oc2ccccc2)n1 934427989 AUBGLWKNACYNED-CQSZACIVSA-N 327.384 3.517 0 50 EHAA O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1c[nH]nc1-c1ccc(Cl)cc1 1148636545 JWGULUKYINNWGH-BNOWGMLFSA-N 329.831 3.896 0 50 EHAA O=C(OC[C@H]1CC[C@@H](C2CC2)O1)c1cc(OC2CCCC2)ccn1 1875311281 SJQYYARASSBLPZ-AEFFLSMTSA-N 331.412 3.517 0 50 EHAA O=S(=O)(CCc1nc2ccccc2s1)c1ccc(Cl)cc1 127646 HXJIGIFNWHIAKA-UHFFFAOYSA-N 337.853 3.966 0 50 EHAA CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 100902 CQWXFNNEWUPHQY-OAHLLOKOSA-N 340.398 3.688 0 50 EHAA O=c1cc(-c2ccco2)sc2nnc(-c3ccc(Cl)cc3)n12 4776567 JWESUBAHTUSTEP-UHFFFAOYSA-N 329.768 3.731 0 50 EHAA Cc1cc(C)c2c(NC(=O)c3ccc([C@H]4CCCO4)s3)n[nH]c2n1 2100540242 FPOBLMXZHHUBCG-LLVKDONJSA-N 342.424 3.740 0 50 EHAA CC(C)(C)c1ccnc(CN2CC[C@@H](CC(=O)O)C(F)(F)CC2)c1 2325791904 HKTUFNBEDDIQPU-AWEZNQCLSA-N 340.414 3.701 0 50 EHAA C[C@H](C(=O)O[C@H]1CCC2(COC2)C1)c1cccc(Br)c1 2325799702 QUEJPOGZDXBPHK-FZMZJTMJSA-N 339.229 3.665 0 50 EHAA CC1(C)CC(NC(=O)c2ccc(O)c(C(C)(C)C)c2)CC(C)(C)N1 2325841491 WYWNQPQDDAJZTL-UHFFFAOYSA-N 332.488 3.729 0 50 EHAA CN(Cc1cnn(Cc2ccccc2)c1)c1ccnc2c1CCCC2 2325858750 ZDVHFXFRGXEMMD-UHFFFAOYSA-N 332.451 3.842 0 50 EHAA O=C(NOCCOc1ccccc1)c1ccc(O)c(-c2ccccc2)c1 2325866340 HVUWZZYSFLHRJN-UHFFFAOYSA-N 349.386 3.800 0 50 EHAA N=C(NOCC1C[C@H]2[C@H](C1)C2(F)F)c1ccccc1Br 902621090 VUHOYYXKRRJTFP-QWRGUYRKSA-N 345.187 3.587 0 50 EHAA CN1CCC[C@H](CNC(=O)C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 248119874 JSNCTWAZEPCIQY-GDBMZVCRSA-N 340.389 3.615 0 50 EHAA Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)cc1 300212 PWUNEYVMKTTXRL-UHFFFAOYSA-N 340.398 3.625 0 50 EHAA CCOC(=O)c1ccc(NC(=O)CCSc2ccccc2)cc1 444112 FHNMIAFQVQPYNO-UHFFFAOYSA-N 329.421 3.984 0 50 EHAA O=C(COc1ccc(Br)cc1Cl)NC1CCCC1 458347 QZEZVWNHDGAQEC-UHFFFAOYSA-N 332.625 3.540 0 50 EHAA COc1cc(CO)c(Br)cc1OCc1ccc(F)cc1 470535 ITLIVYSVSVNDNB-UHFFFAOYSA-N 341.176 3.668 0 50 EHAA O=C(NC[C@@H]1CCCO1)c1ccc(COc2ccc(Cl)cc2)cc1 472084 KCNPKHXRTXOJDY-SFHVURJKSA-N 345.826 3.828 0 50 EHAA COc1cc(CN2CC=C(c3ccc(F)cc3)CC2)cc2c1OCO2 6667470 BBUFYSDNZJOZFF-UHFFFAOYSA-N 341.382 3.852 0 50 EHAA CCOC(=O)c1sc(C)c2c1N[C@@](C)(c1ccccc1)N=C2O 8738537 YKXVYNMTCSKNPO-QGZVFWFLSA-N 330.409 3.836 0 50 EHAA Cc1cccn2cc(CNc3cc(C(=O)N(C)C)ccc3Cl)nc12 111186101 VYYQNKKDUUZYJL-UHFFFAOYSA-N 342.830 3.610 0 50 EHAA O=C(NCCc1cccs1)N(Cc1ccccc1)C[C@H]1CCCO1 54539860 MOQHCEBONAQFJA-QGZVFWFLSA-N 344.480 3.681 0 50 EHAA Cc1ccnc2c(N3C(=O)[C@@H]4CC=C(Cl)C[C@H]4C3=O)cccc12 100629427 ZJJOAPCYMNANPF-ZIAGYGMSSA-N 326.783 3.565 0 50 EHAA C[C@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O 1539117 NUQZXROIVGBRGR-JTQLQIEISA-N 344.754 3.927 0 50 EHAA biogenic,in-vitro CS[C@@H]1CC[C@H](N(C)C(=O)NC[C@H]2CCO[C@H]2c2ccccc2)C1 252476723 AGCXCKMCGPIILP-XDNAFOTISA-N 348.512 3.690 0 50 EHAA CN1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 2510843 MOJZPKOBKCXNKG-CRAIPNDOSA-N 343.398 3.669 0 50 EHAA biogenic,in-vitro CCC[C@H](C)N1CC2(CCN(C(=O)c3cccc(C)c3)CC2)OC1=O 77505037 QCQQEUGTYFHZIJ-INIZCTEOSA-N 344.455 3.611 0 50 EHAA Cc1nc(CCN2CCC[C@H]2c2cccc3c2OCCO3)cs1 120544795 PFQKIHVLDBIVIG-INIZCTEOSA-N 330.453 3.602 0 50 EHAA c1cn(C2CCCC2)nc1CN1CC2(CCC2)[C@H]1C1CCOCC1 425549960 HZCWWPDUDNDFFY-LJQANCHMSA-N 329.488 3.779 0 50 EHAA CC[C@H](NC(=O)N1CCC(c2nccs2)CC1)c1c(C)noc1C 253415289 ZSRIPEIBUIDMKO-AWEZNQCLSA-N 348.472 3.788 0 50 EHAA Cc1cc(C)nc(C2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)n1 328588637 MFQAGXURGHPMSQ-UHFFFAOYSA-N 347.821 3.906 0 50 EHAA Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)n1 257365873 XXMQLBSYGWGAMA-BRWVUGGUSA-N 343.496 3.837 0 50 EHAA CCCC1(CNC(=O)c2cccc(OCc3noc(C)n3)c2)CCC1 127622001 WUVBIWZTOANVQW-UHFFFAOYSA-N 343.427 3.657 0 50 EHAA COc1cc(C)cc(NC(=O)N2CCC[C@@H](OCC3CC3)C2)c1C 241869048 STYPRLYIEBRIQC-MRXNPFEDSA-N 332.444 3.735 0 50 EHAA C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N(C)CCCO)c2)C1 282438214 ZGSMIPZUXRBYLS-CRAIPNDOSA-N 334.460 3.628 0 50 EHAA CC(=O)N1CCCN(C(=O)c2ccc3c(c2)CCCC3)c2ccccc21 173972851 LMCNOAVVUSIRDA-UHFFFAOYSA-N 348.446 3.969 0 50 EHAA O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccc(F)cc1Cl 40283317 GMVMUXTZBPQQPF-UHFFFAOYSA-N 332.737 3.890 0 50 EHAA COc1cc(C(=O)O)cc(Cl)c1OC(=O)c1ccccc1Cl 227145864 WRISXHAPXILMII-UHFFFAOYSA-N 341.146 3.919 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cccc(-c2ncccc2N)c1 426555391 DWIPLAXQSHVKBC-CQSZACIVSA-N 349.438 3.504 0 50 EHAA Cc1ccc2nc(C)c(C)c(C(=O)NC[C@@H](O)c3cccs3)c2c1 95510268 QYIMRTFYPCQZOH-MRXNPFEDSA-N 340.448 3.685 0 50 EHAA Cc1cccc(CC(=O)N2CCC[C@H](c3nccn3C(C)C)C2)c1 95525273 DJOLBKOUNAKJAS-SFHVURJKSA-N 325.456 3.721 0 50 EHAA O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](OCc2ccccn2)C1 96138442 ZZQCEOWYDYJCOD-QGZVFWFLSA-N 345.830 3.948 0 50 EHAA CC(C)c1[nH]ccc1C(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 285935772 BEWSOPYIEKHNBI-NVXWUHKLSA-N 330.403 3.927 0 50 EHAA COCC1(CNC(=O)c2cc3c(Cl)cccc3n2C)CCCC1 299761490 SKFNZWHHIIWRIX-UHFFFAOYSA-N 334.847 3.768 0 50 EHAA O=C(CCc1ccc(F)c(F)c1)NCC1(COc2ccccc2)CC1 299773567 GBICWIXOQQYAGJ-UHFFFAOYSA-N 345.389 3.873 0 50 EHAA CN(CC1(CO)CCCC1)C(=O)Nc1ccccc1OC(F)(F)F 299789762 AAWBZSRISJFUME-UHFFFAOYSA-N 346.349 3.602 0 50 EHAA CCCc1noc(CCCC(=O)N2CC[C@@H](C)c3cccc(O)c32)n1 186338591 KYNFLAVDLMUPKF-CYBMUJFWSA-N 343.427 3.591 0 50 EHAA Cc1sc2nc(SCCO[C@H]3CCCCO3)nc(N)c2c1C 170606897 KCXZNMYNWWTJLM-NSHDSACASA-N 339.486 3.526 0 50 EHAA Cc1ccc(F)cc1C(=O)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1 187338010 KGNCRWBOWFXZAU-SFHVURJKSA-N 341.361 3.526 0 50 EHAA Cc1nnc(-c2ccccc2-c2nc(COc3ccccc3)no2)o1 187580221 ZAIQQSHQJYOIKH-UHFFFAOYSA-N 334.335 3.674 0 50 EHAA Cc1cc(N2CCO[C@@H](c3ccc(F)cc3F)C2)nc(C2CC2)n1 189269461 HFHVHIONUFRDSP-MRXNPFEDSA-N 331.366 3.519 0 50 EHAA CN(Cc1cccnc1)C[C@@H]1CCN(Cc2coc3ccccc23)C1 190480931 ZXHHCCJMZQONQW-SFHVURJKSA-N 335.451 3.782 0 50 EHAA C[C@H](C(=O)N1CCN(CC(F)(F)F)c2ccccc21)c1ccco1 673722744 CDKXXXUJAPVKIE-LBPRGKRZSA-N 338.329 3.799 0 50 EHAA COc1cc(C(=O)Nc2cccc(-n3ccnc3S)c2)ccc1F 763253728 DDRWACWKGUULLR-UHFFFAOYSA-N 343.383 3.561 0 50 EHAA CSc1ccc2c(C)cc(NCCN3CCCC[C@@H]3CO)nc2c1 1506405824 WYMQAZRXTIVBEH-OAHLLOKOSA-N 345.512 3.524 0 50 EHAA C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)CCn1cc(Cl)cn1 1506404501 YNUCHICBYJEHGB-CYBMUJFWSA-N 329.835 3.620 0 50 EHAA CC(C)c1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cs1 12382860 HYTZPTXBADFEEJ-UHFFFAOYSA-N 346.471 3.969 0 50 EHAA O=C(Nc1cccc2cccnc12)c1ccc(N2CCCC2=O)cc1 14516620 GDGKWOGRSASOSF-UHFFFAOYSA-N 331.375 3.614 0 50 EHAA Cc1cccc(C)c1OC[C@H](O)Cn1c(C2CC2)nc2ccccc21 16903130 RBTSXYDZWLLEMA-QGZVFWFLSA-N 336.435 3.970 0 50 EHAA Cc1ccc(C(=O)N[C@H](N2CCCCC2)C(Cl)(Cl)Cl)cc1 19228371 DZQSJRYJSBEBJB-CQSZACIVSA-N 349.689 3.907 0 50 EHAA CCCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)OC)c2)cc1 1777959 WMSUFYUOILZHTJ-FMIVXFBMSA-N 339.391 3.914 0 50 EHAA CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NCC=Cc1ccccc1OC 1857529001 JYNBPCYJPAOBCO-HKUYNNGSSA-N 344.499 3.581 0 50 EHAA Cc1nc([C@@H]2C[C@@H]3CC[C@H]2O3)n(-c2ccnc3cc(Cl)ccc23)n1 1857721143 BNGWGOMEHDEEAD-DXCKQFNASA-N 340.814 3.812 0 50 EHAA Cc1sc(NC(=O)[C@H]2CCOC2)nc1C12CC3CC(CC(C3)C1)C2 1875246416 GEQJTYFQFFCUEN-ZBUUCQELSA-N 346.496 3.894 0 50 EHAA O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccnc1-c1ccccc1 152545848 WSBMJVKCTGCFMQ-GOSISDBHSA-N 344.370 3.989 0 50 EHAA Cc1cnn([C@H]2CCN(C(=O)Nc3cccc(OC(C)(C)C)c3)C2)c1 934053942 IXXAZFAJDCAMIS-INIZCTEOSA-N 342.443 3.848 0 50 EHAA Cn1c(N2CCC[C@](O)(c3ccccc3)CC2)nc2c(F)cccc21 1875288037 LLEQBHOVXMAETP-HXUWFJFHSA-N 339.414 3.591 0 50 EHAA CC[C@@H]1CCC[C@H](CNC(=O)NC[C@H](c2ccsc2)N(C)C)C1 1875323120 YEFHBBDXAADOSX-HLLBOEOZSA-N 337.533 3.866 0 50 EHAA O=C(Nc1c[nH]nc1C1CC1)c1csc(-c2ccc(F)cc2)n1 1875360810 JPKJZWGVQVFUJE-UHFFFAOYSA-N 328.372 3.802 0 50 EHAA CC(C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1(C(C)C)CC1)CC2 1875358064 IAMGYRYJOPOQJL-UHFFFAOYSA-N 348.531 3.700 0 50 EHAA CC(C)[C@@H](NC(=O)c1c(Cl)oc2ccccc12)c1cnn(C)c1 885417163 LUKGRLHTVBBEIY-OAHLLOKOSA-N 331.803 3.947 0 50 EHAA Cc1nc(-c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2)cs1 6668239 PYYXNAANQQHGKL-CABCVRRESA-N 342.420 3.724 0 50 EHAA CC(C)N(C)C[C@@H]1CCCN(C[C@H](O)c2cccc3ccccc23)C1 2325704212 VPAJSCIXOFNCDR-AVRDEDQJSA-N 340.511 3.925 0 50 EHAA Cc1cc(-c2cccc(CN3CCN(C)CC3)c2)cc2c(O)ccnc12 2325755672 ZSNXTENSIVHLFJ-UHFFFAOYSA-N 347.462 3.663 0 50 EHAA Cc1onc(-c2ccccc2)c1-c1cnn(-c2ccccc2)c(=O)c1 2325821336 GDDMFQFPALZHGX-UHFFFAOYSA-N 329.359 3.863 0 50 EHAA N=C(NOCC1C[C@@H]2[C@@H](C1)C2(F)F)c1ccccc1Br 902621088 VUHOYYXKRRJTFP-GHMZBOCLSA-N 345.187 3.587 0 50 EHAA Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)n3)c2)n1 6234298 NATVKKXERQXPEP-UHFFFAOYSA-N 346.390 3.598 0 50 EHAA COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccco4)cc3n2)cc1 170236 SIEZGFVSWNEETG-UHFFFAOYSA-N 348.362 3.583 0 50 EHAA CCOc1cc(CN2CCN(c3ccccc3F)CC2)ccc1OC 282601 MISXCTCHPGGEAB-UHFFFAOYSA-N 344.430 3.555 0 50 EHAA COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c(OC)c1 466056 QGXMESKIVXGCKG-CQSZACIVSA-N 329.396 3.727 0 50 EHAA CCC[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 473516 LSACDSHIUAUPPE-JTQLQIEISA-N 332.425 3.597 0 50 EHAA O=C(c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCCCC1 619299 SPQZPYVZGBZZQB-UHFFFAOYSA-N 332.407 3.560 0 50 EHAA Cc1cc(C(=O)N2CCC3(CC2)OCCO3)sc1-c1ccccc1 1052361 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Cc1cc(C)c(CNC(=O)c2cccc(-c3c(C)noc3C)c2)cn1 299779584 WEGXNDIZHJJRJJ-UHFFFAOYSA-N 335.407 3.900 0 50 EHAA COCCn1ccnc1CN1CCC(Sc2ccc(C)cc2)CC1 824466589 WMOPBXBQSXKRCL-UHFFFAOYSA-N 345.512 3.595 0 50 EHAA CCc1nc(C)sc1CNC(=O)N(C)[C@@H](CC)c1cccnc1 584897320 SPQNHDYQKYZHQN-HNNXBMFYSA-N 332.473 3.702 0 50 EHAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)C[C@H](c1ccccc1)c1ccco1)C2 952974861 NOLIGYJZQOXVHJ-IIMDRIAPSA-N 339.435 3.685 0 50 EHAA COC[C@H](C)N(Cc1cccc(F)c1)C(=O)c1ccc2cc[nH]c2c1 952966707 DRXJYAZMLTUIFA-AWEZNQCLSA-N 340.398 3.984 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2[C@H](O)C1 952971374 NVHLBCYOIYSNNA-KXDMBUCYSA-N 325.452 3.669 0 50 EHAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)c2ccncc2Cl)cc1 952973083 XMHLOABSKNEOGV-NSHDSACASA-N 329.787 3.503 0 50 EHAA c1cc2c(cc1-c1nc(C34CC5CC(CC(C5)C3)C4)no1)OCCO2 170612963 GYEHJSNLUKYUDC-UHFFFAOYSA-N 338.407 3.976 0 50 EHAA CC(=O)Nc1ccc(C)c(C(=O)N(c2ccccn2)C2CCCC2)c1 189459921 JHMMRCUIDZNKIG-UHFFFAOYSA-N 337.423 3.938 0 50 EHAA COc1ccc2c(c1)[C@H](N[C@H](C)C[C@@H](O)c1ccco1)CCS2 191527120 DUMWDXLEKLVEEM-DAXOMENPSA-N 333.453 3.927 0 50 EHAA Clc1cnc(NCC[C@H]2CCCCN2Cc2ccccc2)nc1 1506397524 UJFDXUPUKACKCO-QGZVFWFLSA-N 330.863 3.987 0 50 EHAA Cc1ccc(N2CCC(N3CC(N4CCCCC4)C3)CC2)cc1Cl 1506426243 FPOUFSAINBFOIH-UHFFFAOYSA-N 347.934 3.787 0 50 EHAA CC(C)n1cc(CNCc2cccnc2N(C)C2CCCCC2)cn1 12385605 GUZYESZZAOHRFY-UHFFFAOYSA-N 341.503 3.918 0 50 EHAA O=C([C@@H]1CC12CCCC2)N1CCc2onc(-c3cccc(F)c3)c2C1 12572547 AZUOACAHHHTMQT-INIZCTEOSA-N 340.398 3.946 0 50 EHAA COc1ccc(CN2CC[C@H](NC3CCCCCC3)CCC2=O)cc1 14963203 GJGRLSXSKIKOOY-LJQANCHMSA-N 344.499 3.889 0 50 EHAA Cc1ccc(-n2nnc(C(=O)N[C@H](C)c3ccc(F)cc3)c2C)cc1 16649682 XYSMDUPDMCDICR-CYBMUJFWSA-N 338.386 3.514 0 50 EHAA O=C(c1ccc[nH]1)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 124899183 XEIAOFVKNMPBKP-NSHDSACASA-N 325.195 3.615 0 50 EHAA COC1(CC(=O)NCc2ccc(COc3ccccc3)cc2)CCC1 252494584 NZANRUDAIWFMFM-UHFFFAOYSA-N 339.435 3.841 0 50 EHAA NC(=O)N1CCc2ccc(NC3CC(c4cc(F)cc(F)c4)C3)cc21 368044747 TXAUIVJEKXWVOI-UHFFFAOYSA-N 343.377 3.764 0 50 EHAA Fc1ccccc1[C@H]1CN(Cc2noc(C3CCCCC3)n2)CCO1 158147038 BIVSOOSALKDOMJ-QGZVFWFLSA-N 345.418 3.830 0 50 EHAA Cc1nc(-c2ccccc2)ncc1C(=O)OCc1ccc(C(=O)O)cc1 832992476 MFIZYZHNWFUNBY-UHFFFAOYSA-N 348.358 3.507 0 50 EHAA Cc1cc(C)c(NC(=O)[C@]2(c3ccccc3)CC2(F)F)cc1CO 1875394958 CWFFENPRGOBQFV-GOSISDBHSA-N 331.362 3.711 0 50 EHAA N=c1[nH]c2cccc(C(=O)N3CC=C(c4ccccc4)CC3)c2s1 2100547821 NOTIMIVVMJDGQE-UHFFFAOYSA-N 335.432 3.638 0 50 EHAA CN(C[C@H]1CCCCN1Cc1ccccc1)c1ncnc2cnccc12 2325860061 WHNDWPASAFODIH-GOSISDBHSA-N 347.466 3.516 0 50 EHAA Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)nc1-c1ccccc1 204925 WBTSRBHBHLSUHT-KGLIPLIRSA-N 342.420 3.724 0 50 EHAA Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 443870 HSMDQOFKKRPFSX-CQSZACIVSA-N 342.826 3.948 0 50 EHAA Cc1cc(OCC(=O)Nc2nccs2)c(C)cc1Br 1064502 ATQZEHSRYFGPQQ-UHFFFAOYSA-N 341.230 3.540 0 50 EHAA CN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1 1176450 NWDPRYSTWUCESD-UHFFFAOYSA-N 347.256 3.910 0 50 EHAA CN1CCC[C@@]2(CCCN2Cc2ccc(OC3CCCC3)cc2)C1=O 2356140530 LVEZJVHFSNOODF-OAQYLSRUSA-N 342.483 3.595 0 50 EHAA O=C(NCC1CCNCC1)OCC1c2ccccc2-c2ccccc21 2585703 CSMNJTURMINRQR-UHFFFAOYSA-N 336.435 3.525 0 50 EHAA COc1ccc(-c2cc(C(=O)n3cccn3)c3ccccc3n2)cc1 2767872 DNLDBAWEEDDTHB-UHFFFAOYSA-N 329.359 3.795 0 50 EHAA O=C(NCc1ccco1)c1ccccc1NC(=O)C1CCCCC1 6702702 TUPODPRJKNTXCJ-UHFFFAOYSA-N 326.396 3.728 0 50 EHAA Cc1nnc(S[C@H](C)C(=O)Nc2nc3ccccc3s2)s1 10230968 NQTHWXTUKIZBMD-SSDOTTSWSA-N 336.467 3.576 0 50 EHAA CN(Cc1cc(Cl)cc(Cl)c1)Cc1nnc2n1CCCCC2 225492693 ZEWIKIHEZKTIET-UHFFFAOYSA-N 339.270 3.943 0 50 EHAA O=C(NC1CCCCCCC1)C1CCN(C(=O)c2ccccc2)CC1 9340985 PJDDTEGMDXZEFO-UHFFFAOYSA-N 342.483 3.768 0 50 EHAA CCOCCOc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 9878621 AZCLBOVKVXISPB-UHFFFAOYSA-N 333.815 3.937 0 50 EHAA COc1ccc(OC)c(C2=NN(C(C)=O)[C@@H](c3ccccc3C)C2)c1 225847966 XRTURIPONWAJMT-LJQANCHMSA-N 338.407 3.710 0 50 EHAA CCn1nc(C)c(CCNC(=O)CC23CC4CC(CC(C4)C2)C3)c1C 55324983 BEQKOARSWBHXBO-UHFFFAOYSA-N 343.515 3.785 0 50 EHAA CC(C)c1cc(C(=O)N(Cc2ccsc2)C[C@H]2CCCO2)no1 65525828 ZVAOMSPZEOMAGV-CQSZACIVSA-N 334.441 3.681 0 50 EHAA CCC(CC)c1n[nH]c2c1CN(Cc1c(C)nn(C)c1Cl)CC2 20599591 PPXINUDCUAGBNV-UHFFFAOYSA-N 335.883 3.567 0 50 EHAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C[C@@H]1CCOC1)CCO2 67712865 BYFNJFAWBSZCFA-INIZCTEOSA-N 339.435 3.599 0 50 EHAA O=C(N[C@H](c1ccccc1)C1CC1)C(=O)N[C@H](c1ccccc1)C1CC1 252570965 XLJNQIFWTVJOBF-WOJBJXKFSA-N 348.446 3.521 0 50 EHAA c1ccc(SCCn2ccnc2-c2ccc(-n3ccnc3)cc2)nc1 77341734 NTHXTRMMTBQXRS-UHFFFAOYSA-N 347.447 3.923 0 50 EHAA Cc1c(NCc2csc(-c3ccccn3)n2)cccc1C(=O)O 319645656 CVKLDMXYGXQIQT-UHFFFAOYSA-N 325.393 3.824 0 50 EHAA COCCOC1CCC(C(=O)N2C[C@H](C)Sc3ccccc32)CC1 280414168 SHSNFRCFXKARHY-FHERZECASA-N 349.496 3.736 0 50 EHAA Cc1cc2c(cc1NC(=O)N1Cc3ccccc3OC[C@@H]1C)OCO2 253427349 RRBMHAUTVMVMBR-ZDUSSCGKSA-N 340.379 3.539 0 50 EHAA O=S(=O)(Oc1ccc(F)c(F)c1)C1CCC(C(F)(F)F)CC1 253428690 KOULISFSQBWOOV-UHFFFAOYSA-N 344.301 3.795 0 50 EHAA CC(C)n1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)n1 280662540 DJZQAAVTIITFKR-KBPBESRZSA-N 348.472 3.646 0 50 EHAA O=C(CNc1ccccc1)Nc1ccccc1OC[C@@H]1CCCCO1 237978526 FYWOYOXQVDQFMZ-KRWDZBQOSA-N 340.423 3.685 0 50 EHAA CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccccc3)n2)c2ccccc2O1 172687356 YYZIBPBGKFAYJZ-KRWDZBQOSA-N 347.418 3.999 0 50 EHAA CC(=O)N1CCC[C@H](CN[C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)C1 449295181 QJEVDNQBVGVYIK-GGPKGHCWSA-N 348.918 3.899 0 50 EHAA CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H]2OC(=O)CCC/C=C\C[C@H]21 43772204 ZVWMOTMHZYWJPF-LBHGIJFJSA-N 336.472 3.523 0 50 EHAA in-vitro CCCc1ccc(C(=O)N2CCC(OCc3cccnc3)CC2)cc1 82120829 VDAYGAVYASMFQU-UHFFFAOYSA-N 338.451 3.856 0 50 EHAA Cc1cccc([C@@H]2CCCCCN2C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1 241965583 UUAPTGIMRLBYNV-ZCNNSNEGSA-N 337.467 3.976 0 50 EHAA CN(C)c1ccc(-c2nnc(SCc3ccc(F)cc3)n2C)cc1 17071548 XLAHVQMNWHNQHX-UHFFFAOYSA-N 342.443 3.980 0 50 EHAA CC1(C)CCC[C@H](N2CCC3(CC2)Nc2ccccc2NC3=O)C1 82121670 DPRKPQUBJGJGNT-HNNXBMFYSA-N 327.472 3.854 0 50 EHAA Cc1nc2ccc(C(=O)N[C@H](C)Cc3ccsc3)cc2nc1C 92081307 ZQHRUXZGTCVABU-LLVKDONJSA-N 325.437 3.669 0 50 EHAA O=C1[C@H](c2ccccc2)CC2(CCN(CC3CC3)CC2)CN1C1CC1 91713175 KKJIXHQMVSUZBA-FQEVSTJZSA-N 338.495 3.657 0 50 EHAA CCO[C@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 299064267 VNOLFUNOGOWENL-ABAIWWIYSA-N 348.786 3.549 0 50 EHAA CCCn1c(C)nc2cc(C(=O)OCC)cc(Br)c21 252497471 QIXNDALSETXFDU-UHFFFAOYSA-N 325.206 3.694 0 50 EHAA C[C@H]1Cc2cc(CNC(=O)N(Cc3ccsc3)C3CC3)ccc2O1 534576700 QGPCVSHOPUKCIV-ZDUSSCGKSA-N 342.464 3.946 0 50 EHAA CCC(=O)NCCNC(=O)c1ccc(-c2c(C)cccc2Cl)cc1 584890320 CXRPNKPCMOARGE-UHFFFAOYSA-N 344.842 3.571 0 50 EHAA O=C(NCc1cccc(F)c1)N1CCC([C@H](O)c2cccs2)CC1 952982057 JPPDIOFJWMQEBF-KRWDZBQOSA-N 348.443 3.542 0 50 EHAA Cc1c(NC(=O)CCNC(=O)OC(C)(C)C)cccc1-c1ncco1 408517089 SXXLUUOBRQSTAR-UHFFFAOYSA-N 345.399 3.503 0 50 EHAA C[C@@H](CNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)CC1(C)OCCO1 170644482 RPBMBFYIVFRNQZ-SNERZDNPSA-N 349.515 3.888 0 50 EHAA COc1ccc(Oc2ccc(CN[C@@H](C(=O)O)C(C)C)cc2)cc1 170612862 AGVPDQNMJSWFMJ-GOSISDBHSA-N 329.396 3.686 0 50 EHAA Cc1ccc2nc(CNc3cccc(N4CCOC4=O)c3C)cn2c1 170656974 XHQIMLKARMRZNQ-UHFFFAOYSA-N 336.395 3.520 0 50 EHAA C[C@@H](NC[C@@H]1CCC2(CCCC2)O1)c1ccc(N2CCCC2=O)cc1 788487601 CXRFDEXYIYLVGV-APWZRJJASA-N 342.483 3.956 0 50 EHAA Cc1ccc(N2CCC(NC3(C(=O)O)CCCC3)CC2)cc1Cl 1506424339 JEXMUQFPDQGQIU-UHFFFAOYSA-N 336.863 3.604 0 50 EHAA Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)o1 474252 WSOYTFGXUCWIMB-PCGIRMHASA-N 344.436 3.525 0 50 EHAA Cc1cccc(F)c1C(=O)N1CCCN(c2ncccc2Cl)CC1 1775978280 QPWYJHLVFIMHOB-UHFFFAOYSA-N 347.821 3.535 0 50 EHAA CCN(CC)C(=O)[C@@H](C)Sc1cc(-c2ccccc2)nc(C)n1 12000962 LMLTYZVJSYHWFB-CYBMUJFWSA-N 329.469 3.801 0 50 EHAA CCc1ccc(CN2CCC(CO)(Cc3cccc(OC)c3)CC2)o1 14978531 IMJQDZNTRCBMAL-UHFFFAOYSA-N 343.467 3.668 0 50 EHAA COc1ccccc1NC(=O)c1nnn(-c2ccccc2)c1C(C)C 16650282 OZAZZPAPLGNTCP-UHFFFAOYSA-N 336.395 3.652 0 50 EHAA Cc1ccccc1Cc1noc([C@@H]2CCCN2c2nccs2)n1 225479142 PMUNWADQOKVAEX-AWEZNQCLSA-N 326.425 3.767 0 50 EHAA COc1cc(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)cc(Cl)c1O 225498415 NADJESYHBHPQHO-NHYWBVRUSA-N 346.814 3.673 0 50 EHAA Clc1ccc2c(c1)CC[C@H]2Nc1ncnc2c1ncn2C1CC1 330277199 NXQYDIHGZSNNGI-CQSZACIVSA-N 325.803 3.914 0 50 EHAA Cc1ccc([C@H]2CCCCN2C(=O)NCCc2ccncc2C)o1 163910695 PAIHJOIYPYYFEO-QGZVFWFLSA-N 327.428 3.771 0 50 EHAA CC(C)OCC(=O)N=c1cc[nH]c2ccc(Oc3ccccc3)cc12 1271472462 JBMLFLRVMPWCPD-UHFFFAOYSA-N 336.391 3.813 0 50 EHAA C[C@@H](O)c1ccc(-c2noc(-c3cnc([C@H]4CCCO4)s3)n2)s1 1875298562 FMRRNDZOHGGGMM-RKDXNWHRSA-N 349.437 3.826 0 50 EHAA CC(C)c1cc(NC(=O)Cc2ccc3c(c2)CCO3)sc1C(=O)O 1875292079 VYOVOABQKXLYEK-UHFFFAOYSA-N 345.420 3.686 0 50 EHAA c1cc(CNc2cc(NCc3ccncc3)c3ccncc3n2)ccn1 1322198675 YXXGJQXCKAIWMF-UHFFFAOYSA-N 342.406 3.644 0 50 EHAA Cc1[nH]nc2c1CC[C@H](NCc1cccc(Oc3ccccn3)c1)C2 2325788377 BMQQPBCOUHIZFG-INIZCTEOSA-N 334.423 3.553 0 50 EHAA O=C(N[C@H](CO)Cc1ccc(F)cc1)c1c(Cl)ccc2ccoc12 2325821443 OYIIDEZSYSZZJK-AWEZNQCLSA-N 347.773 3.559 0 50 EHAA COc1ccc(Cc2nc(-c3ccc(Br)o3)no2)cc1 118502 NWNUIXAEVNAWOK-UHFFFAOYSA-N 335.157 3.692 0 50 EHAA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2Cl)NC(=O)N1C 124238 XREBUZWIHNFMGI-INIZCTEOSA-N 348.830 3.796 0 50 EHAA COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)N(C(C)=O)CC2 206966 KHIAPCKDMQGBOL-LJQANCHMSA-N 345.826 3.851 0 50 EHAA biogenic CCN(CC)c1nc(Nc2ccc(Cl)cc2)nc(N(CC)CC)n1 247352 QHHANJJWXRZUEL-UHFFFAOYSA-N 348.882 3.961 0 50 EHAA CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccs2)cc1 331193 AWEALIWNOKTYPF-UHFFFAOYSA-N 347.465 3.614 0 50 EHAA CCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O 396048 RPWVPUAFDMDDRZ-UHFFFAOYSA-N 338.432 3.782 0 50 EHAA COc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCSC1 2345259 ZZJQNTMCJCOLIZ-UHFFFAOYSA-N 339.420 3.544 0 50 EHAA COc1ccc(OC)c([C@H](C)NC(=S)Nc2ccc(F)cc2)c1 2855631 NNVLMDQLCLSGNB-NSHDSACASA-N 334.416 3.891 0 50 EHAA Cc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1C 2876729 DVHXINSDRFYMTJ-UHFFFAOYSA-N 334.423 3.827 0 50 EHAA O=C(c1cccc(C(F)(F)F)c1)N1CCN(C2CCCCC2)CC1 4271651 BQIZKNNDBAZESK-UHFFFAOYSA-N 340.389 3.796 0 50 EHAA CCCCCCNC(=O)c1ccccc1I 4551005 QOMHWKKJSDWZHA-UHFFFAOYSA-N 331.197 3.601 0 50 EHAA Cc1ccc(-c2[nH]ncc2CN(CCO)Cc2ccccc2)cc1C 4678985 PGUMUAWYIVZDFW-UHFFFAOYSA-N 335.451 3.688 0 50 EHAA CCc1nnc(NC(=O)c2ccc(COc3ccccc3C)o2)s1 5032982 ZBXHHBDPWYUCOA-UHFFFAOYSA-N 343.408 3.833 0 50 EHAA CCCNC(=O)Nc1ccc(Oc2ccccc2C(=O)OC)cc1 6264884 HRDUVOGSWIZYHH-UHFFFAOYSA-N 328.368 3.797 0 50 EHAA CC(C)(C)OC(=O)N1CCc2c(sc3ncnc(Cl)c23)C1 11919379 GIBDUINSURSICA-UHFFFAOYSA-N 325.821 3.638 0 50 EHAA in-vitro COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccncc2)s1 13331218 QZOGRXBUIBHNOX-UHFFFAOYSA-N 346.799 3.514 0 50 EHAA COCc1ccc(C(=O)N2CCC[C@@H](CCc3ccccc3)C2)o1 14978065 AACIVLIEZCTXTI-KRWDZBQOSA-N 327.424 3.911 0 50 EHAA CCCN1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 15078030 LBTXHJRBGZRJSP-KRWDZBQOSA-N 325.412 3.687 0 50 EHAA COc1ccccc1NC(=O)Nc1nnc(-c2ccc(F)cc2)s1 18046688 PQTQXONPTXSXKR-UHFFFAOYSA-N 344.371 3.997 0 50 EHAA O=C(C1=CCCC1)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 20386827 CLYPEESRMKETHS-SFHVURJKSA-N 335.451 3.817 0 50 EHAA CC(C)Oc1cccc(-c2c[nH]c([C@H]3CC(=O)N(C(C)C)C3)n2)c1 23540910 OSEXTGJBKJMVAM-HNNXBMFYSA-N 327.428 3.588 0 50 EHAA CCCCC[C@H]1/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 27641029 UTLCNJREJFJDLH-YNNPMVKQSA-N 336.472 3.523 0 50 EHAA in-vitro COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 36620764 FPNKBKSQFHRGGI-KRWDZBQOSA-N 342.370 3.981 0 50 EHAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(Cl)ncn1 40448872 LTXDXOMHOOIKAB-UHFFFAOYSA-N 329.784 3.807 0 50 EHAA in-vitro CCCCC(=O)Nc1ccc(C)cc1NC(=O)CCCN1CCCC1 55133574 MQQWMGGCVDZHPJ-UHFFFAOYSA-N 345.487 3.938 0 50 EHAA CCCCN(Cc1ccsc1)C(=O)Cc1ccc2c(c1)OCO2 63871250 NULIEWHOALMLTB-UHFFFAOYSA-N 331.437 3.848 0 50 EHAA CC(=O)N1CCCC[C@@H]1C1=CCCN(Cc2cc(F)ccc2C)C1 65470470 UWAQMKBGLBSQGH-HXUWFJFHSA-N 330.447 3.667 0 50 EHAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc2occc2c1 72476057 NYEPDHIDNFBATQ-UHFFFAOYSA-N 331.375 3.891 0 50 EHAA CN(CCSc1ccccc1)Cc1cc(-c2ccncc2)no1 77469891 CGXJTRBRCPFNQS-UHFFFAOYSA-N 325.437 3.961 0 50 EHAA CCCc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)no1 77485756 APGMJLGIFVJVIO-QGZVFWFLSA-N 338.411 3.789 0 50 EHAA O=C1N(C2CCCCC2)CCC[C@]12CCN(Cc1cccc(F)c1)C2 92078070 IIPRHJNFNRYKQV-OAQYLSRUSA-N 344.474 3.973 0 50 EHAA CCCN(CCO)C(=O)Nc1ccc(-c2cccc(C(C)=O)c2)cc1 96137451 QUXWYTAAMKHVKS-UHFFFAOYSA-N 340.423 3.792 0 50 EHAA CCC(CC)n1nc(C)cc1NC(=O)N1CCCC2(CCOCC2)C1 97784969 CGQNPWYZQLJWLX-UHFFFAOYSA-N 348.491 3.977 0 50 EHAA CC(C)[C@@H](C)CC(=O)N1CCC[C@H](c2nnc(S)n2C(C)C)C1 111134147 HCMODTRYEPGIAX-KBPBESRZSA-N 338.521 3.536 0 50 EHAA Fc1ccc(-c2noc(C[C@H]3OCCc4ccccc43)n2)cc1F 115178495 WCPOFCBHUNWJBB-MRXNPFEDSA-N 328.318 3.871 0 50 EHAA CN(c1ccccc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 119953813 BOUSWCVSHQOBKN-UHFFFAOYSA-N 334.199 3.958 0 50 EHAA CCOC(=O)[C@H]1CCCN[C@H]1c1ccc(NC(=O)OC(C)(C)C)cc1 167442655 LHPXBYPQNSPNGL-HOTGVXAUSA-N 348.443 3.637 0 50 EHAA COC(=O)Cc1ccc(OC(=O)C/C=C/c2ccc(F)cc2)cc1 170650948 MENHVYKJIMDGTH-NSCUHMNNSA-N 328.339 3.550 0 50 EHAA CC(C)c1nc(C2(NC[C@H](O)c3cccc(Cl)c3)CCCC2)no1 174173365 ZDPFCRGDNJDDFT-HNNXBMFYSA-N 349.862 3.939 0 50 EHAA Cc1ncsc1CNc1nc2cc3c(cc2s1)OCCCO3 181560978 LIQAHPQISFZZRN-UHFFFAOYSA-N 333.438 3.835 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@@H](CCCc2ccccc2)[C@@H]1C(=O)O 209933157 JJVIAYZDVHANGB-HZPDHXFCSA-N 333.428 3.720 0 50 EHAA CCOc1ccc(C)cc1S(=O)(=O)N(CC)Cc1ccccc1 231424131 SVHBMFDJLVMRFQ-UHFFFAOYSA-N 333.453 3.605 0 50 EHAA CC(C)c1ccc(-c2ncc(CN3CCC[C@@H]3C(=O)O)s2)cc1 236852324 FDJKOKDUBQRETK-MRXNPFEDSA-N 330.453 3.983 0 50 EHAA C[C@H](CC(=O)N1CC[C@@](C)(C(=O)O)C1)c1cccc(C(F)(F)F)c1 237541929 LKJAXSMXGVKMGF-BDJLRTHQSA-N 343.345 3.522 0 50 EHAA Cc1nnc(-c2cccc(C[C@@H]3CC(=O)N(c4ccccc4)C3)c2)o1 243893324 APUIONFBPBRYAA-MRXNPFEDSA-N 333.391 3.641 0 50 EHAA CCN(C)c1ccc(CNC[C@H](O)c2ccc3ccccc3c2)cn1 252492279 MHFKCTKRIDMFEK-FQEVSTJZSA-N 335.451 3.514 0 50 EHAA COC(C)(C)c1csc([C@H]2CN(Cc3ccccc3)CCO2)n1 253392574 NBUOSSWCUYZHMC-OAHLLOKOSA-N 332.469 3.598 0 50 EHAA Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccsc1 253416941 VESLEUAXSUGAPI-UHFFFAOYSA-N 333.363 3.832 0 50 EHAA Cc1nc2c(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)cccc2o1 253420894 NHIFSQWWZIMJQS-MRXNPFEDSA-N 335.407 3.853 0 50 EHAA c1cnc2ccc(CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cc2c1 271358145 QMOHDFSKCBVBRO-KRWDZBQOSA-N 333.439 3.610 0 50 EHAA Cn1c(CN2CC=C(c3cccc(Cl)c3)CC2)nnc1C1CC1 280330597 ZNPWZXLGAWRDHI-UHFFFAOYSA-N 328.847 3.635 0 50 EHAA CC(=O)N[C@H](c1nc(-c2cccc(Cl)c2F)no1)C1CCCC1 289917321 XLRXCKGUZQLCKZ-AWEZNQCLSA-N 337.782 3.897 0 50 EHAA O=C(O)C[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 299741282 DKRXPJILRRLNBM-GFCCVEGCSA-N 331.334 3.662 0 50 EHAA CC(C)[C@H](NCc1nnnn1C)c1ccc(C2CCCCC2)cc1 329383550 OXGFHHPOQCSHTA-IBGZPJMESA-N 327.476 3.745 0 50 EHAA COc1nccc(NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)n1 332573146 ZNDWDMJEOPSPKD-UHFFFAOYSA-N 346.818 3.550 0 50 EHAA COc1ccc2nc(C)[nH]c(=N[C@@H](C)c3ccc(Cl)cn3)c2c1 343233615 JPDJWPYIVZFBBZ-JTQLQIEISA-N 328.803 3.590 0 50 EHAA O=C1CC[C@@H](NC2(c3cccc(Cl)c3)CC2)CCN1CC1CC1 534589509 KROCWNZIJYGNBF-QGZVFWFLSA-N 332.875 3.710 0 50 EHAA Cc1nc([C@H]2CCCN([C@H](C(=O)O)c3ccc(F)cc3)C2)sc1C 652407367 JNGNUSQLXNLJDU-HOCLYGCPSA-N 348.443 3.904 0 50 EHAA Cc1nc(-c2cccc(NC(=O)C3=Cc4ccccc4OC=C3)c2)n[nH]1 827682853 IEODBFZJPLMDIY-UHFFFAOYSA-N 344.374 3.708 0 50 EHAA CCc1nc(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)C2)c(C)o1 887790296 JSNATVUBNPQKBP-HXUWFJFHSA-N 338.407 3.626 0 50 EHAA Cc1cc(NC(=O)c2ccc3c(c2)CCCO3)n([C@H](C)C2CC2)n1 1506413609 RYDMLSRLAAOQMU-CYBMUJFWSA-N 325.412 3.740 0 50 EHAA O=C(NCC1(c2ccccc2F)CCCC1)c1onc2ncccc12 1775983431 XEUQWUJFMAHDGG-UHFFFAOYSA-N 339.370 3.604 0 50 EHAA O=C(Nc1ccccc1OC(F)(F)F)N1CC[C@@H](c2ccon2)C1 1775991516 FYNJTIJFBREZEN-SNVBAGLBSA-N 341.289 3.595 0 50 EHAA C[C@H](O)c1nc(-c2scc3c2CCCC3)n(CC(F)(F)F)n1 1857678871 BQNNHAZGBUFXLA-QMMMGPOBSA-N 331.363 3.501 0 50 EHAA O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1CCC2(CC1)CC2 2325900211 PHMWHBKJWBAVTD-HNNXBMFYSA-N 347.890 3.752 0 50 EHAA CC[C@]1(O)CCC[C@H]2CN(CCOc3cc(C)ccc3Cl)C[C@H]21 2356138361 KGVXZXABEPRRPU-FCEWJHQRSA-N 337.891 3.900 0 50 EHAA CCCc1ccc(OCC(=O)Nc2ccc(OC)cc2OC)cc1 128416 NCRJKIPBAPAXBJ-UHFFFAOYSA-N 329.396 3.674 0 50 EHAA O=S(=O)(Nc1cccc2cccnc12)c1cccc2cccnc12 175216 GMSBWTPQXILZOK-UHFFFAOYSA-N 335.388 3.584 0 50 EHAA O=C(CSc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 292454 UHNYEPYHOBSQOX-UHFFFAOYSA-N 330.796 3.552 0 50 EHAA Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 308805 XXQVQSPFKZVZJM-UHFFFAOYSA-N 336.435 3.794 0 50 EHAA CC(C)c1nnc(NC(=O)Cc2ccc(Br)cc2)s1 461409 SKDDKFOUOPFRDL-UHFFFAOYSA-N 340.246 3.605 0 50 EHAA aggregator Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccnc2)c1 528672 QOAXXJSAJYVCHE-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA CCCCn1nnc(NC(=O)c2cccc3c(Cl)cccc23)n1 2353073 OLPHHVOIZWZXOF-UHFFFAOYSA-N 329.791 3.532 0 50 EHAA O=S(=O)(Cc1ccc(Cl)cc1)Nc1nc2c(s1)CCCC2 2873858 KJZXARPYPPZCGN-UHFFFAOYSA-N 342.873 3.617 0 50 EHAA CCOC(=O)C(CCCCOc1c(C)cccc1C)C(=O)OCC 2880355 XOUQGPFZPSVTHK-UHFFFAOYSA-N 336.428 3.595 0 50 EHAA CNC(=O)c1ccccc1[C@](O)(c1ccccc1)c1ccccc1C 4792666 RWLWLQYXXFAWQW-QFIPXVFZSA-N 331.415 3.639 0 50 EHAA Fc1ccc(COC(CN2CCCCC2)CN2CCCCC2)cc1 4828680 GASSHFRTJIGWGH-UHFFFAOYSA-N 334.479 3.683 0 50 EHAA O=C(NC(=O)c1ccccc1)NC(c1ccccc1)c1ccccc1 4997008 NPAGGTDMTHDJSR-UHFFFAOYSA-N 330.387 3.916 0 50 EHAA CCCc1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)[nH]n1 55109391 UCHXTIWLWUKYOA-QGZVFWFLSA-N 341.455 3.695 0 50 EHAA CCC(CC)C(=O)N1CCC(Nc2nc3cc(F)ccc3o2)CC1 114447945 WDJQGTCIXWZKHB-UHFFFAOYSA-N 333.407 3.806 0 50 EHAA CCc1ncc2c(n1)CN(C(=O)c1ccc3[nH]c4c(c3c1)CCCC4)C2 67841757 XDXJZWVIPUDAKG-UHFFFAOYSA-N 346.434 3.555 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)NCc1ccc2c(c1)OCCCO2 65455617 GESSOWWAEWVBFE-UHFFFAOYSA-N 346.452 3.666 0 50 EHAA Cc1cccc(C(=O)Nc2ncn(Cc3cccc(Cl)c3)n2)c1 2800575 OJVBUEAMWOLQMN-UHFFFAOYSA-N 326.787 3.541 0 50 EHAA CC(C)[C@H](CNCc1ccn(Cc2ccccc2)c1)c1ccnn1C 252500643 SZQUBLVOGOEOHT-FQEVSTJZSA-N 336.483 3.799 0 50 EHAA O=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1c1ccc(F)cc1 77504099 BJVKGYCLJNISEQ-INIZCTEOSA-N 327.355 3.922 0 50 EHAA Cc1cc(C)cc([C@H]2CCN(c3nnc(-c4ccon4)s3)C2)c1 329379589 NCIYWDICEFORFT-ZDUSSCGKSA-N 326.425 3.804 0 50 EHAA CC(C)c1nc2n(n1)C[C@H](N[C@@H]1C[C@H](c3ccccc3)C1(C)C)CC2 123501229 SAHDQMYOYITBSI-KZNAEPCWSA-N 338.499 3.888 0 50 EHAA CC(=O)c1ccc(S(C)(=O)=O)c(N[C@@H]2CCc3ccc(F)cc32)c1 253427229 NGQNYCSZGMLHGY-MRXNPFEDSA-N 347.411 3.531 0 50 EHAA O=C(CCCc1ccc(Cl)cc1)NC[C@@H](O)c1cccc(F)c1 70833787 MUXFUTVFRFVGAQ-QGZVFWFLSA-N 335.806 3.652 0 50 EHAA COc1cc(C)cc(NC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C 242339337 ZGYWBRJJWACZIB-YOEHRIQHSA-N 342.443 3.624 0 50 EHAA COc1cccc(OC[C@@H]2CCCN(c3ccc4cc[nH]c4n3)C2)c1 72475915 HHKFYGLGCMYBER-OAHLLOKOSA-N 337.423 3.867 0 50 EHAA Cc1ccc(N2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)nn1 71524224 HGSTZIANQIEVPZ-QGZVFWFLSA-N 339.439 3.672 0 50 EHAA CC(C)(NCc1ccc(Cl)cc1Cl)c1nnc2n1CCCC2 449459724 LLRIVHIGZAWFAY-UHFFFAOYSA-N 339.270 3.946 0 50 EHAA C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)CCC(F)(F)F 241338536 MBMUSJSHTBPAGU-HALDLXJZSA-N 342.405 3.602 0 50 EHAA Cc1csc([C@H]2CN(c3ncc(C(F)(F)F)s3)CCO2)n1 241435195 NLPJLKHWQQPYIN-MRVPVSSYSA-N 335.376 3.505 0 50 EHAA CCc1nc(C)ccc1OCC(=O)N(C)[C@H](C)c1nc(C)sc1C 82120333 UTPGYPWJCNDFQQ-GFCCVEGCSA-N 347.484 3.624 0 50 EHAA CCN1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccccc3)o2)[C@@H](C)C1 229853832 FTLZEAPBZLREGZ-DOTOQJQBSA-N 342.439 3.874 0 50 EHAA CCCN(C(=O)c1ccc(OC)cc1OCCN)C1CCCCCC1 426497560 YQAFZRWQRSQLBA-UHFFFAOYSA-N 348.487 3.608 0 50 EHAA O=C(NCc1cc(C2CC2)n[nH]1)N1CCCCC[C@@H]1c1ccco1 426651325 MLZDDSAGHKDCTM-MRXNPFEDSA-N 328.416 3.707 0 50 EHAA Cc1ccc(-c2ccc(C(=O)N[C@H]3CCC[C@H]3C(=O)O)c(F)c2)cc1 237716138 RXVJIVMWVNXQGI-AEFFLSMTSA-N 341.382 3.784 0 50 EHAA COCC1(NC(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)CCCC1 91664780 MSKXZEGTRJYITC-UHFFFAOYSA-N 328.456 3.711 0 50 EHAA c1ccc([C@@H]2C[C@H]2c2nc(C3CCOCC3)nn2-c2cccnc2)cc1 97696408 JMIRFHACSUZPAP-RBUKOAKNSA-N 346.434 3.827 0 50 EHAA CC[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(F)cc1F 239274727 APTBQLSPFONWGD-YUTCNCBUSA-N 337.366 3.827 0 50 EHAA OCC1(CN[C@H](Cc2ccccc2)C2CCCCC2)CCOCC1 90661973 IXLSPPVBQUCXKK-HXUWFJFHSA-N 331.500 3.557 0 50 EHAA CN(CC[C@H]1CCCCO1)C(=O)c1ccc(CN2CCCCC2)cc1 95376987 RVNTWHOUUIULNV-HXUWFJFHSA-N 344.499 3.704 0 50 EHAA CCc1ccccc1OC1CN(C(=O)c2c[nH]nc2-c2ccccc2)C1 96137113 WCLRHECITXGNGI-UHFFFAOYSA-N 347.418 3.543 0 50 EHAA COC[C@@H](c1ccccn1)N(C)Cc1cncn1C1CCCCC1 244794987 QXOOBYSZRALIDR-IBGZPJMESA-N 328.460 3.603 0 50 EHAA O=C(c1ccccc1OCC1CC1)N1CCC2(CCC(O)CC2)CC1 295358752 JCERDOTVNOJYPB-UHFFFAOYSA-N 343.467 3.633 0 50 EHAA C[S@@](=O)C[C@H](NCc1cc(F)cc2cccnc12)c1ccccc1 183097476 DDNJMNQMCGJQFB-MHECFPHRSA-N 342.439 3.583 0 50 EHAA CC1(C)CC(NC(=O)[C@@H](c2cccnc2)N2CCCC2)CC(C)(C)C1 299801769 XPJMZQDMUOOOOT-GOSISDBHSA-N 343.515 3.940 0 50 EHAA Cc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@@H](C)C4)c1C 299738140 BCRGUORXTRLXDA-LBPRGKRZSA-N 348.402 3.693 0 50 EHAA Cc1cccc(-c2ncc(CN(CCO)C3CCCCC3)cn2)c1 828757337 XLXBCZPBQGLDPW-UHFFFAOYSA-N 325.456 3.579 0 50 EHAA O=C(Nc1ccc(I)cc1F)c1ccccc1 14258262 ASXQLZYFZGXDDE-UHFFFAOYSA-N 341.123 3.683 0 50 EHAA C[C@H](C(=O)N1CCC[C@@H](c2ccccn2)C1)c1ccc(F)cc1F 1347787539 OTMSIQUZNQJOFC-UONOGXRCSA-N 330.378 3.870 0 50 EHAA FC(F)(F)c1csc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 270789715 LGXAHDVOGQCOOG-VIFPVBQESA-N 343.378 3.541 0 50 EHAA Cc1ccc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)s1 163722935 ABPACNRGTOVSBP-AWEZNQCLSA-N 344.484 3.799 0 50 EHAA CN(Cc1nccs1)[C@H]1CC12CCN(C[C@@H]1CC=CCC1)CC2 275841264 WCQGGTWAUDFTMP-SJORKVTESA-N 331.529 3.786 0 50 EHAA Cc1nc(CC2CC2)sc1C(=O)N1CCc2c(F)cc(F)cc21 188584045 XNJVRVGMXPKXHF-UHFFFAOYSA-N 334.391 3.885 0 50 EHAA C[C@@H]1COCC[C@H]1C(=O)Nc1ccc(NCCc2ccccc2)cc1 193218233 YUOYYSGSZIKAFM-OXQOHEQNSA-N 338.451 3.952 0 50 EHAA Fc1ccc(-c2ccc(CN3CCOC[C@@]34CCOC4)s2)cc1 195015810 HKBJILFEWBXERM-SFHVURJKSA-N 333.428 3.546 0 50 EHAA Cc1cc(=O)[nH]c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n1 5042910 UHISHGDTIQFCMF-GOSISDBHSA-N 336.416 3.795 0 50 EHAA CCOc1ccccc1-c1nc(CN2CCCC[C@H]2CCO)c(C)o1 12611919 ZJJFZODRBDUAHC-INIZCTEOSA-N 344.455 3.786 0 50 EHAA COc1cccc(C(=O)[C@@H]2CCCN(Cc3cnn(C(C)C)c3)C2)c1 12715138 RXYBJHRVMSZWJT-GOSISDBHSA-N 341.455 3.568 0 50 EHAA CC[C@H](C)c1ccc(OCCOCCN2C[C@H](C)O[C@@H](C)C2)cc1 16247569 PCCPRLIMDXBZLG-BZSNNMDCSA-N 335.488 3.705 0 50 EHAA CCc1nn(C)c(CC)c1CNC(=O)c1c(Cl)cccc1Cl 126707124 AHJLHWJEEBLWQC-UHFFFAOYSA-N 340.254 3.782 0 50 EHAA Cc1cscc1-c1noc(C2CN(C(=O)C3CCCCC3)C2)n1 333828193 LBFYHWFQHRWOAZ-UHFFFAOYSA-N 331.441 3.613 0 50 EHAA CC1(C)C[C@@H](c2ccccc2)CN1C(=O)Nc1ccnc2ccnn12 934979509 IQIDTJYSIMXSOH-OAHLLOKOSA-N 335.411 3.529 0 50 EHAA CC(C)(C)OC(=O)c1cccc(-c2cc3c(s2)C(=O)NCC3)c1 1875356858 WHOKPJRWPZZZOZ-UHFFFAOYSA-N 329.421 3.656 0 50 EHAA COc1cc([C@@H](C)NCc2ccccc2-n2nc(C)cc2C)sn1 1776007110 QQUVNCFOZVIYLK-CQSZACIVSA-N 342.468 3.805 0 50 EHAA Cc1ccccc1OCCCn1c([C@@H](C)NC=O)nc2ccccc21 4809800 FSRFKWULPQBIJJ-MRXNPFEDSA-N 337.423 3.621 0 50 EHAA Cc1[nH]c2ccc(CN[C@H](C)c3ccc(-n4cncn4)nc3)cc2c1C 2325800576 UVQVIKNCRHMXHX-OAHLLOKOSA-N 346.438 3.611 0 50 EHAA Cc1cc(O[C@@H]2CCN(Cc3cccc(-c4cnco4)c3)C2)ccn1 2325825821 DFNRHYTURWLVNC-LJQANCHMSA-N 335.407 3.698 0 50 EHAA O=C(NCC(=O)c1cncs1)c1ccc(-c2ccc(F)cc2)cc1 2325855950 WGTAJJWQDZWEKT-UHFFFAOYSA-N 340.379 3.562 0 50 EHAA CC1CCN(C(=O)N[C@H](C)[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 2325900261 RFOLCPXLRQLNPX-HZPDHXFCSA-N 349.906 3.996 0 50 EHAA O=C1N=CC=C[C@@H]1c1noc(Cc2cc(Cl)cc3ccccc23)n1 904748236 VAZWCKACCYEZNS-OAHLLOKOSA-N 337.766 3.718 0 50 EHAA C=CC(=O)NCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 110574231 UBNYPLWDFNWSSD-WOJBJXKFSA-N 348.446 3.555 0 50 EHAA COc1cccc(-c2cnc(-c3ccncc3)nc2C2CCNCC2)c1 149888730 ISNVUTLYXMSBNS-UHFFFAOYSA-N 346.434 3.681 0 50 EHAA Cc1nc(-n2nnc3cc(C)c(C)cc32)c2c3c(sc2n1)CCC3 91421 UTAHWQJSKMRPFH-UHFFFAOYSA-N 335.436 3.839 0 50 EHAA COc1ccc(OC)c(C(=O)CCC(=O)Nc2ccc(Cl)cc2)c1 451154 UFPHMRYKUCIUNX-UHFFFAOYSA-N 347.798 3.959 0 50 EHAA Cc1cc(C)n(C(=O)COc2ccc(Cl)cc2Br)n1 529152 MDDHNSOTNJCGBQ-UHFFFAOYSA-N 343.608 3.635 0 50 EHAA Cc1cc(NC(=O)CC(C)C)c(C)cc1I 557440 CPTJTSSDOQSAPK-UHFFFAOYSA-N 331.197 3.893 0 50 EHAA COc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 860063 ATHYHJJHUSJYBS-UHFFFAOYSA-N 336.347 3.793 0 50 EHAA O=C(CSc1nc2ccccc2o1)N1N=CC[C@H]1c1ccccc1 1070058 HFKPVICIWZJTSG-HNNXBMFYSA-N 337.404 3.879 0 50 EHAA Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3ccco3)on2)cn1 3908444 DDIAPZNZXPLMGL-UHFFFAOYSA-N 348.362 3.740 0 50 EHAA O=C(Nc1cccc(Cl)c1Cl)c1c(O)c2ccccc2[nH]c1=O 6494025 XHJPBUJCVRLEOK-UHFFFAOYSA-N 349.173 3.793 0 50 EHAA biogenic,in-vitro CCc1ccc(NC(=O)N2CCN(c3ccccc3OC)CC2)cc1 6715787 KHPHDGWJGDNARL-UHFFFAOYSA-N 339.439 3.612 0 50 EHAA Cc1nc(N[C@H](Cc2ccccc2)C(=O)O)c2oc3ccccc3c2n1 6925393 RXYAOWWCBNEJFM-OAHLLOKOSA-N 347.374 3.792 0 50 EHAA COc1ccc2c(c1)C[C@@H](c1nc(Cc3ccc(F)cc3)no1)CO2 20779200 HOHDNGPFGDWMRJ-CQSZACIVSA-N 340.354 3.527 0 50 EHAA Cc1cccc(N2CCC(N(C)Cc3nncn3C(C)C)CC2)c1C 65426170 ZMRIOUQCGPSHNK-UHFFFAOYSA-N 341.503 3.577 0 50 EHAA CC1(C)C(C(=O)N2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)C1(C)C 67981843 XQSXFBVSSHXNAO-HRAATJIYSA-N 329.484 3.511 0 50 EHAA Cc1ccccc1[C@@H](CNC(=O)c1cnoc1-c1ccccc1)N(C)C 216463172 CVWWAXJRWYUCKW-LJQANCHMSA-N 349.434 3.683 0 50 EHAA COc1cccc([C@@H]2CCCCN2C(=O)c2ncc(F)cc2F)c1 77455246 NAIHGOVDUHEQHY-INIZCTEOSA-N 332.350 3.736 0 50 EHAA FC(F)(F)CCc1ccnc(NC[C@H]2OCCc3ccccc32)n1 71747440 XYJIJCIWROOZBC-OAHLLOKOSA-N 337.345 3.697 0 50 EHAA CSc1cccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1C 253418031 UZUYPOCFNXNSRI-RDTXWAMCSA-N 334.485 3.876 0 50 EHAA C[C@@H](CC(=O)NCc1nnc(C2CC2)n1C1CC1)C1CCCCC1 122512336 BSXXXOJMIOOXMX-ZDUSSCGKSA-N 330.476 3.713 0 50 EHAA Cn1cc2c(n1)CCC[C@H]2C(=O)N1CCCSc2ccc(F)cc21 253431223 OORSZOHSLLQDBJ-CYBMUJFWSA-N 345.443 3.508 0 50 EHAA CCCCc1nc(CN2CC[C@@H](Cc3ccc(C(=O)O)cc3)C2)c[nH]1 72418777 GCDODGIUVYOGMV-INIZCTEOSA-N 341.455 3.515 0 50 EHAA Fc1ccccc1Cc1noc(CN2CC[C@@H]3CCCC[C@H]3C2)n1 12709426 CFWVQTPHNNANEK-HOCLYGCPSA-N 329.419 3.812 0 50 EHAA O=C(CCCOCCc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 239672690 BUTLQMCVPZNKQR-CRSSMBPESA-N 341.495 3.967 0 50 EHAA COc1ccccc1[C@H]1C[C@@H]1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 242389609 ZYTUZJMSYCDFLF-PJVZHCMPSA-N 325.452 3.836 0 50 EHAA Cc1nn(C)c(C)c1C[C@H](C)c1nc(-c2ccc(F)c(F)c2)no1 174829176 FPNSIFFISNUUCO-VIFPVBQESA-N 332.354 3.711 0 50 EHAA C[C@@H](C(=O)NCCc1nc2ccccc2[nH]1)c1ccc(Cl)s1 175087888 USZLVYFCUKEYQI-SNVBAGLBSA-N 333.844 3.740 0 50 EHAA Cc1cc(C)c([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)cc1C 221032731 MRDDWYJJPJNRBG-ZBFHGGJFSA-N 333.428 3.789 0 50 EHAA Cc1ccc(CNC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)s1 45677069 SVYDGULSDSGMHI-INIZCTEOSA-N 346.452 3.936 0 50 EHAA Cc1ccc(/C=C/C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)o1 287853766 LSPHXAWPNMJTRQ-NHJLWNIQSA-N 337.419 3.632 0 50 EHAA CCOC(=O)CS[C@@H]1c2ccccc2C(=O)N1C1CCCCC1 334163126 MDVUDBVAROMAKT-GOSISDBHSA-N 333.453 3.770 0 50 EHAA Cc1nc2c(s1)CCC[C@H]2NC(=O)Nc1cc(C(C)(C)C)nn1C 96161322 FYVAAPBAPDAWEB-LLVKDONJSA-N 347.488 3.682 0 50 EHAA CCc1ccc2nc(-c3cncnc3)cc(C(=O)NC3CCCC3)c2c1 23145679 XROGLVDCPAYQJE-UHFFFAOYSA-N 346.434 3.927 0 50 EHAA CS[C@@H]1CCCCCCCC[C@@H]2COC[C@H]2[C@@H]1N1CCOCC1 247808147 BAGWWHWHYXXQCV-MKXGPGLRSA-N 341.561 3.816 0 50 EHAA biogenic COc1cc(CO)cc(Br)c1OCc1cccc(F)c1 16246985 STUAOTDRPOPLEA-UHFFFAOYSA-N 341.176 3.668 0 50 EHAA Cc1nc(CCN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cs1 277100733 TZBZBYJUQHRNGA-HZPDHXFCSA-N 340.851 3.906 0 50 EHAA COC(=O)c1cccc(CN(C[C@@H]2CCOC2)c2ccccc2)c1 170621108 IILWZVHSLODUPF-KRWDZBQOSA-N 325.408 3.516 0 50 EHAA Cc1nc(-c2ccc(NC(=O)c3ccoc3Cl)cc2Cl)n[nH]1 192352430 IIOHZSUZNQXITD-UHFFFAOYSA-N 337.166 3.932 0 50 EHAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCc3ccccc3[C@H]2c2ccccc2)C1 653295698 UNVFEASVRMTZLT-NLWGTHIKSA-N 349.430 3.662 0 50 EHAA O=C(CCc1ccccc1F)NCc1c(C(=O)O)oc2ccccc12 738459129 YWTXWOHQFNNTRF-UHFFFAOYSA-N 341.338 3.519 0 50 EHAA OCCN(Cc1ccccc1)Cc1ccc(F)c(Br)c1 216988 VTRQEQALPXRJSG-UHFFFAOYSA-N 338.220 3.583 0 50 EHAA CC(=O)Nc1cccc(NC(=O)c2cccc(Br)c2)c1 240177 MSVZZYLUAIFVLO-UHFFFAOYSA-N 333.185 3.660 0 50 EHAA Cc1c(C(=O)N(Cc2nccn2C)C(C)C)oc2c(F)cccc12 11936627 IKDKGWYLTWEQTA-UHFFFAOYSA-N 329.375 3.665 0 50 EHAA Cc1nc(CC(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)cs1 12303981 WEAZELCWMBUHKD-KRWDZBQOSA-N 343.496 3.714 0 50 EHAA C[C@@H](NC(=O)[C@@H]1CC(Cc2ccccc2)=NO1)c1ccccc1Cl 14994605 BEJODHWYWYMKAP-ACJLOTCBSA-N 342.826 3.905 0 50 EHAA COc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1Cl 16225906 USQBYSWGPIHTOU-UHFFFAOYSA-N 348.811 3.698 0 50 EHAA CCCCCC(=O)N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl 19228683 KHNUTTWZRWDCDH-LBPRGKRZSA-N 329.699 3.865 0 50 EHAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)cc1 212450527 CKTLIHMLIATPLN-CTNGQTDRSA-N 348.490 3.752 0 50 EHAA Cc1ccc(-c2nn(-c3ccccc3)cc2CNCC(C)(C)O)cc1 111386048 UFWHZNSEDWRVGO-UHFFFAOYSA-N 335.451 3.708 0 50 EHAA CO[C@H]1CCC[C@@H](CC(=O)NC(C)(C)c2nc3ccccc3n2C)C1 332017994 YQTFWUWUPIKXRN-CABCVRRESA-N 343.471 3.520 0 50 EHAA CCC(CC)n1ncc(C(=O)N[C@H]2c3cccc(F)c3O[C@H]2C)c1C 240333683 FESAQEUZCQQZRW-YVEFUNNKSA-N 345.418 3.944 0 50 EHAA Cc1nc(-c2ccncc2)nc(N2CCO[C@@H](c3ccccc3)C2)c1C 264435129 RGEXMYRFZMIRSB-LJQANCHMSA-N 346.434 3.733 0 50 EHAA CC[C@H](C)Oc1ccc(C(=O)N2CCc3nc[nH]c3C23CCC3)cc1 829080161 YNVPGKGLYBBZKL-AWEZNQCLSA-N 339.439 3.665 0 50 EHAA CC(C)(C)c1csc(C2CCN(C(=O)N=c3cc[nH]cc3)CC2)n1 930576797 GHYCRLSOLTWMIB-UHFFFAOYSA-N 344.484 3.669 0 50 EHAA Cc1c(C(=O)N2CCn3nc(C4CC4)cc3C2)oc2c(F)cccc12 834466537 CWESKDIZLDDXBQ-UHFFFAOYSA-N 339.370 3.610 0 50 EHAA CC(C)(C)c1nnc(CNC(=O)c2ccc(F)c(C(F)F)c2)s1 934591679 IAGIUULRESEVHL-UHFFFAOYSA-N 343.374 3.842 0 50 EHAA N=c1nc(-c2cnc(Nc3cccc(C(F)(F)F)c3)s2)cc[nH]1 2060315105 NQBNRCLQLCINLM-UHFFFAOYSA-N 337.330 3.775 0 50 EHAA Cc1cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c(C)cn1 2325771255 PEYZVVVNFLMGOW-UHFFFAOYSA-N 335.407 3.634 0 50 EHAA Cc1cc(CN2CCC(c3cncn3C)CC2)nc(-c2ccccc2)n1 2325790837 PMDUXIHGDMZVSJ-UHFFFAOYSA-N 347.466 3.565 0 50 EHAA CC(C)Oc1ccccc1C(=O)N1CCC2(CCCCOC2)CC1 2325791234 DRCJRXQVYIKJNG-UHFFFAOYSA-N 331.456 3.897 0 50 EHAA CCCCc1ccc(CCNc2cncc(-n3ccnc3C)n2)cc1 2325855303 RUWYTYIESVYSGH-UHFFFAOYSA-N 335.455 3.968 0 50 EHAA Cc1nc2scc(C)n2c1CN1CC(OCc2ccccc2F)C1 2325856865 GJKJZPNGHSKIEZ-UHFFFAOYSA-N 345.443 3.553 0 50 EHAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnn2cccnc12 211041 NWCSVRYOMOVMAS-UHFFFAOYSA-N 340.692 3.654 0 50 EHAA Cc1c(Cl)cccc1NC(=O)[C@H](CC(=O)O)Cc1ccccc1 315567 YUTUHPRVSBOVEA-AWEZNQCLSA-N 331.799 3.921 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)s1 475868 RPWVTLUFKMXKDX-UHFFFAOYSA-N 338.432 3.744 0 50 EHAA COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc(C(C)=O)c2)c1 609343 PAIPCIZWYHSYQB-LBPRGKRZSA-N 342.395 3.789 0 50 EHAA C[C@@H]1CN(C(=O)c2sc3cccc(F)c3c2Cl)C[C@@H](C)O1 1056293 CWMGSZKLMJPWMC-RKDXNWHRSA-N 327.808 3.943 0 50 EHAA CCCc1ccc(OCCNC(=O)c2ccc3ccccc3n2)cc1 2998764 SCVSOCKPTMECIE-UHFFFAOYSA-N 334.419 3.996 0 50 EHAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(C(=O)O)c1 4808945 RKLWOIGJWSKHRT-NSHDSACASA-N 333.771 3.753 0 50 EHAA O=C(c1cccc(F)c1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 6726432 VANFCBIZRUDRLG-UHFFFAOYSA-N 342.458 3.552 0 50 EHAA COc1ccc(NC(C)=O)c(NC(=O)CSc2ccc(C)cc2)c1 6728523 UBICVTBRBBQODM-UHFFFAOYSA-N 344.436 3.693 0 50 EHAA CC(C)CNC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2780988 MOSQTVCQAZTWMT-MRVPVSSYSA-N 337.773 3.766 0 50 EHAA Cc1nn(CCc2nnc(-c3cc(F)ccc3F)o2)c(C)c1Cl 2786239 IUMFZKJARYOTOG-UHFFFAOYSA-N 338.745 3.724 0 50 EHAA CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 100642881 BGSXOCGHVSTTQK-PHIMTYICSA-N 332.450 3.698 0 50 EHAA O=C(Nc1cccc2ccccc12)[C@H](c1ccccc1)N1CCOCC1 20310937 LAVNOMGJGSFDRP-NRFANRHFSA-N 346.430 3.852 0 50 EHAA O=C(CN1CC[C@@H]2CCCC[C@H]2C1)Nc1cccc2c1N=S=N2 247760754 HEWPZQCHYVQYIP-STQMWFEESA-N 330.457 3.864 0 50 EHAA Cc1cc(C)n(-c2cccc(CN[C@@H]3COc4ccccc4C3)c2)n1 20996104 DCSPIPMWBUPBCF-IBGZPJMESA-N 333.435 3.582 0 50 EHAA Cc1ccc(-c2cncc(C(=O)N(C)CCc3ccccn3)c2)cc1 135074172 MCVKUDOSZUZHFV-UHFFFAOYSA-N 331.419 3.767 0 50 EHAA CC(C)c1noc([C@H]2CCCN2Cc2ccc3cccc(O)c3n2)n1 67851668 HAINNROPPNQJNG-OAHLLOKOSA-N 338.411 3.784 0 50 EHAA Fc1ccc2nc(CN3CC4(CCOCC4)[C@@H]3C3CC3)sc2c1 354412720 QKJLPZDYEWCXAW-KRWDZBQOSA-N 332.444 3.826 0 50 EHAA COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1c[nH]c3ncccc13)[C@H]2C 329280321 DPFKUFWYNVCBLX-KBPBESRZSA-N 349.434 3.648 0 50 EHAA Cc1ccccc1NC(=O)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72161978 OMKWJNBPBVDHCR-HXUWFJFHSA-N 335.407 3.513 0 50 EHAA O=C(C1CCOCC1)N1CCC(F)(c2ccccc2Cl)CC1 328586611 KSFYWIYUGGRNMK-UHFFFAOYSA-N 325.811 3.554 0 50 EHAA O=C(Nc1ncccc1OCC1CCCCC1)[C@H]1CC12CCOCC2 365783923 DZDUQEXDHZERDQ-MRXNPFEDSA-N 344.455 3.796 0 50 EHAA Cc1nc(C(C)C)cc(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1 77538582 JOORQXBCWWOUCB-FQEVSTJZSA-N 344.503 3.526 0 50 EHAA COc1ccc(C2(CNC(=O)c3csc(C)n3)CCCC2)cc1 49521453 ZYIARIZEXKQIGS-UHFFFAOYSA-N 330.453 3.702 0 50 EHAA Cc1cccc(-c2nn3c(NC[C@H]4CCCO4)cc(C)nc3c2C)c1 40216811 KYKTWOHOBCHHAH-QGZVFWFLSA-N 336.439 3.912 0 50 EHAA CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccc(F)cc1 48545433 KIPGSSJWKRWMPM-UHFFFAOYSA-N 345.370 3.858 0 50 EHAA CCCc1cc(=O)[nH]c(-c2ccccc2CN2CCCCC23CC3)n1 48393845 SPQOINLJQVANSS-UHFFFAOYSA-N 337.467 3.908 0 50 EHAA Cc1cscc1C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1 176338880 SIKSEISLLHDKMR-UHFFFAOYSA-N 337.404 3.956 0 50 EHAA Cc1ccc2nccc(N3CCC[C@@H](CCC(=O)N(C)C)C3)c2c1 96141666 CORUUPWPSVCYNX-INIZCTEOSA-N 325.456 3.628 0 50 EHAA COc1ccc([C@@H]2CN(Cc3cc(C)cc(F)c3)C[C@H]2N(C)C)cc1 92096512 XKIMIVJMVHBFMJ-LEWJYISDSA-N 342.458 3.672 0 50 EHAA CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1 252672834 QOTAQTRFJWLFCR-XFHMXUHZSA-N 325.408 3.948 0 50 EHAA in-vitro O=C(NCCc1ccc2c(c1)CCO2)N[C@H]1CCCc2sccc21 184639011 NKLOFKPMHRUKPS-INIZCTEOSA-N 342.464 3.602 0 50 EHAA COCC[C@H]1CCN(C(=O)c2cnc(C3CC3)o2)c2ccccc21 1337891504 HWRMRJGXUQPIGH-CYBMUJFWSA-N 326.396 3.723 0 50 EHAA Cc1n[nH]c(C)c1CC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 188204705 GJNLFNXKEBOEKX-ZDUSSCGKSA-N 334.423 3.508 0 50 EHAA COc1cccc2c1CC[C@H]2NC(=O)c1cccnc1C(F)(F)F 188412334 SVEQYJILQHTMOY-CYBMUJFWSA-N 336.313 3.526 0 50 EHAA CCN(Cc1c[nH]c2ccccc12)C(=O)C[C@@H]1C(=O)Nc2ccccc21 188960329 AGPJQJXGZDLPLF-KRWDZBQOSA-N 347.418 3.642 0 50 EHAA CC(C)c1noc(CCC(=O)N2C[C@H](C)Oc3c(Cl)cccc32)n1 189840049 ATWKHCCEHYSWEG-NSHDSACASA-N 349.818 3.593 0 50 EHAA CCOC1CCN(c2cc(C)c3cc(OC)c(OC)cc3n2)CC1 1529119099 SBXYEKMTYZIFJS-UHFFFAOYSA-N 330.428 3.566 0 50 EHAA Cc1nc(C)c(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)o1 1529119082 BISZQQDGSSMKMA-SJORKVTESA-N 328.412 3.530 0 50 EHAA CCOc1ccc(-c2nc(CN3CCC[C@H](OC)C3)c(C)o2)cc1 12057188 SLYBFZZBDDYQPX-KRWDZBQOSA-N 330.428 3.660 0 50 EHAA Cc1ccc(-c2nnc(-c3nnn(-c4cccc(C)c4)c3C)o2)cc1 12274348 UPFYAFZVESFTET-UHFFFAOYSA-N 331.379 3.910 0 50 EHAA CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)c1 12404180 HSAGWLYWVXZSDU-AWEZNQCLSA-N 326.396 3.668 0 50 EHAA O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1Cl 13995820 GVZXRWOJDFXKRT-UHFFFAOYSA-N 328.799 3.828 0 50 EHAA Brc1ccc(B2Nc3cccc4cccc(c34)N2)s1 169975113 POCAQBXWVHDOHU-UHFFFAOYSA-N 329.031 3.897 0 50 EHAA CCOc1cc(C)c(-c2nccn2[C@@H]2CCN(C)C2=O)cc1C(C)C 1857675176 MVNFAMQTXSDRMR-QGZVFWFLSA-N 341.455 3.784 0 50 EHAA COc1ccc(CC[C@H](C)N[C@H]2CCOc3ccccc32)cc1O 225424602 IHJHWGUWYOBRFJ-YOEHRIQHSA-N 327.424 3.835 0 50 EHAA C[C@@H](CNC(=O)c1ccncc1Br)Cc1cccs1 156596410 VBBCPIARHKYPED-SNVBAGLBSA-N 339.258 3.514 0 50 EHAA CC(C)(C)c1nc(CN2CCc3nc[nH]c3[C@H]2c2ccccc2)co1 931796170 DQNABPNISDBKOS-GOSISDBHSA-N 336.439 3.843 0 50 EHAA COC1([C@H](NCc2cc[nH]n2)c2cccc(C(F)(F)F)c2)CCC1 863983659 LNAAHADNCJSNBE-OAHLLOKOSA-N 339.361 3.829 0 50 EHAA Cc1cc(C)nc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)c1 1775985412 RYQNOEWELZHBPY-LJQANCHMSA-N 347.422 3.601 0 50 EHAA O=C(O[C@H]1CCC[C@@H]1Oc1cccc(F)c1)c1cc2cccn2cn1 2325824320 YBTLGCMIDPYHAL-ROUUACIJSA-N 340.354 3.630 0 50 EHAA CCc1cc(F)cc(C(=O)N2CC[C@@H]3C[C@H](CC(=O)O)CC[C@@H]3C2)c1 2325879902 LTHOBTDCEDNDTR-BZUAXINKSA-N 347.430 3.741 0 50 EHAA CC1CCN(C(=O)N[C@@H](C)[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 2325900260 RFOLCPXLRQLNPX-HOTGVXAUSA-N 349.906 3.996 0 50 EHAA CCOC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 88047 RMJIKMHTPAPWRH-UHFFFAOYSA-N 346.390 3.641 0 50 EHAA COc1ccc(-c2noc(COc3cccc(C)c3C)n2)cc1OC 204085 DWQHUYTZVZTMJG-UHFFFAOYSA-N 340.379 3.950 0 50 EHAA c1ccc(CO[C@@H]2CCCN(Cc3cccc4ncsc34)C2)nc1 2356138204 HZLCHDWUXYWYES-QGZVFWFLSA-N 339.464 3.873 0 50 EHAA COc1ccc(-c2cncc(CN3CCC[C@@H](OC)C3)c2)cc1F 2356147798 PPMXELNALHHPDF-QGZVFWFLSA-N 330.403 3.507 0 50 EHAA COc1cc(C=O)ccc1OCCOc1ccccc1OC(C)C 2986908 RYOYHVWPLHTTMA-UHFFFAOYSA-N 330.380 3.753 0 50 EHAA CC(C)Oc1ccc(C(=O)N2CCCCC2)cc1Br 8722976 LXGSVOSSYMTJPH-UHFFFAOYSA-N 326.234 3.862 0 50 EHAA COc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1OC 55543909 JJWUQWDXGHKVRM-UHFFFAOYSA-N 346.858 3.679 0 50 EHAA COc1cc(CN2CCN(c3cc(C)ccc3C)CC2)cc(OC)c1 55292075 APKWFMHBLKGTCR-UHFFFAOYSA-N 340.467 3.643 0 50 EHAA Cc1cc2ccccc2n1CC(=O)N1CCO[C@@H](c2ccccc2)C1 23897605 ARRIPKFDXOXGBM-HXUWFJFHSA-N 334.419 3.550 0 50 EHAA CCCN(C/C=C/c1ccccc1)C(=O)c1c(C)nc2ncccn12 55211908 USHVLPCINPKRFT-YRNVUSSQSA-N 334.423 3.603 0 50 EHAA Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(F)cc3)c2n1 9343834 OBLKMBNOPALOQW-UHFFFAOYSA-N 333.370 3.851 0 50 EHAA Cc1cc(F)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1F 20398218 DMNKFSGCDPMJIS-QGZVFWFLSA-N 344.361 3.517 0 50 EHAA Cc1ccccc1CN(CCN(C)C)Cc1cccn1-c1ccccn1 55309903 RSDIZPHFJXMJJV-UHFFFAOYSA-N 348.494 3.745 0 50 EHAA C/C(=C\N=c1\ccccn1Cn1nnc2ccccc21)c1ccccc1 100061655 HWVSPUPMJWUNIP-NWKAUVBJSA-N 341.418 3.700 0 50 EHAA Cc1ccccc1C(=O)N(C)[C@@H](C)C1=CCCN(Cc2ccccn2)C1 67724621 SQYHLWOGVVKEBE-SFHVURJKSA-N 349.478 3.683 0 50 EHAA CCn1nc(C)c(Cn2cc(-c3ccc(F)c(Cl)c3)nn2)c1C 67896367 ZZMPYFGRFDIUFM-UHFFFAOYSA-N 333.798 3.619 0 50 EHAA O=C(c1ccc[nH]1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66708617 WOWURBVTEZVYAK-AWEZNQCLSA-N 325.195 3.535 0 50 EHAA CC[C@H](C)n1ncc(N=c2[nH]c(-c3cccnc3)nc3c2CCC3)c1C 477694687 PAUUSBYIMWCTGR-ZDUSSCGKSA-N 348.454 3.669 0 50 EHAA CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@H](N)C(C)(C)C2)cc1 261937866 WZNYFQZZIMAVKZ-SFHVURJKSA-N 346.515 3.585 0 50 EHAA CCOc1ccc2c(c1)C[C@H](C(=O)Nc1ncsc1C(C)C)CO2 377520907 UZUAEMLYFDUXDL-ZDUSSCGKSA-N 346.452 3.855 0 50 EHAA O=C(C[C@H]1CCOc2ccccc21)NCc1nccc2ccccc12 172104179 WOCRERGUEGIONX-MRXNPFEDSA-N 332.403 3.807 0 50 EHAA CCCCc1nnc(NC(=O)Nc2cccc(CCC(=O)O)c2)s1 263468954 HDZBXWMADOKVET-UHFFFAOYSA-N 348.428 3.542 0 50 EHAA CN(C)c1ccc(-c2ccc(COCc3cccs3)cc2)nn1 96149876 CBGMOAFWITYTJD-UHFFFAOYSA-N 325.437 3.988 0 50 EHAA Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)C1CCCCCC1 91997916 KQNVRWOMJXRLEG-OAHLLOKOSA-N 338.455 3.995 0 50 EHAA CC(C)NC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 91505372 SARQNDPIWITOIK-INIZCTEOSA-N 344.434 3.733 0 50 EHAA Cc1ccc(-c2ccnc(CC[C@H]3COc4ccccc4O3)n2)c(C)n1 244884357 YLCASJRBVQWRCL-INIZCTEOSA-N 347.418 3.928 0 50 EHAA C[C@]12CCC(=O)C[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@H]12 253596666 USPYDUPOCUYHQL-LSBWQDLDSA-N 332.484 3.776 0 50 EHAA CCCOP(=O)(OCCC)O/C(C)=C/C(=O)N1CCCCC1 822975106 UAGXSHXIZVULFV-BUHFOSPRSA-N 333.365 3.881 0 50 EHAA CCC(=O)Nc1cc(NC(=O)[C@H](C)N2CCCCCC2)ccc1C 952990722 SQUNDLKYXUGOBM-HNNXBMFYSA-N 331.460 3.547 0 50 EHAA Cc1cccn2cc(CNc3ccccc3[C@@H](O)C(F)(F)F)nc12 408514038 HBHNJZZPWXTREP-OAHLLOKOSA-N 335.329 3.851 0 50 EHAA CC[C@H](CN(CC)C(=O)c1cc(N(C)C)ccn1)c1ccccc1 186435785 NBRLTSSYXXRVEU-MRXNPFEDSA-N 325.456 3.804 0 50 EHAA FC(F)(F)c1cccc([C@@H]2CSCCN2Cc2csnn2)c1 186506654 XMCLCONGMYMAPR-ZDUSSCGKSA-N 345.415 3.847 0 50 EHAA CCNC(=O)COc1ccc(CN(CC)c2ccccc2C)cc1 170606991 JUZVNEBAQDMXAT-UHFFFAOYSA-N 326.440 3.536 0 50 EHAA C[C@H](O)c1ccc(CNCc2c(F)cccc2Br)cc1 192500618 VKERWSMACFBEKU-NSHDSACASA-N 338.220 3.931 0 50 EHAA CCc1nc(-c2cccc3c4c([nH]c23)CCCC4)n([C@@H]2CCOC2)n1 1772809973 BKNHWTMQSHCWNC-CYBMUJFWSA-N 336.439 3.829 0 50 EHAA COc1ccc(/C=C2/SC(=O)NC2=O)cc1OCc1ccccc1 5008506 QXMGBTFFMAIPJY-MHWRWJLKSA-N 341.388 3.598 0 50 EHAA CC(C)CCN1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 11818062 VNXGSLNBBSUNPG-FQEVSTJZSA-N 332.463 3.686 0 50 EHAA Cc1ccc2nc(NC(=O)[C@@H](C)Sc3cc(C)ncn3)sc2c1 12000516 HADPAOLWPHMIGA-LLVKDONJSA-N 344.465 3.822 0 50 EHAA CCCOc1ccc(/C=C/C(=O)Nc2nnc(CC)s2)cc1OC 16977261 BXELDRXOZWMCGC-VQHVLOKHSA-N 347.440 3.550 0 50 EHAA O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 18247437 RIJFNUZXIFWYIK-HDICACEKSA-N 348.402 3.619 0 50 EHAA c1ccc(-c2ncc(-c3nccn3CC[C@@H]3CCCOC3)cn2)cc1 1857676163 PHWVWMPVOWPFIK-INIZCTEOSA-N 334.423 3.824 0 50 EHAA Cc1nc(O)cc(Cn2ccnc2-c2nc(-c3ccccc3)cs2)n1 1857690907 ULBAGBPRDCDMRH-UHFFFAOYSA-N 349.419 3.526 0 50 EHAA Cc1ccc(-c2ccnc(N[C@H]3CCCCCC[C@@H]3O)n2)c(C)n1 1857695338 FKPGVFNBNGVZBS-ROUUACIJSA-N 326.444 3.651 0 50 EHAA CC[C@@H]1C[C@H](n2ccnc2-c2ccc(OC)c(OC)c2Cl)CCN1 1857739692 OOEKTJRQEIOTEF-CHWSQXEVSA-N 349.862 3.924 0 50 EHAA CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NC[C@@H](C)O 4341527 BDOSSSUDGBKZJJ-MRVPVSSYSA-N 343.210 3.511 0 50 EHAA COc1cccc(COc2c(OC)cccc2C(=O)N(C)C)c1Cl 663959562 XPFBWVPNRYBZTQ-UHFFFAOYSA-N 349.814 3.638 0 50 EHAA COCCC1(CNC(=O)c2cnc(-c3ccsc3)s2)CCC1 151650411 MDLYNMQWEYIQPV-UHFFFAOYSA-N 336.482 3.808 0 50 EHAA Cc1cc(CCC(=O)N2CCCc3c(C)c(F)cc(Cl)c32)no1 905967687 DWJSKZJSWOVCFM-UHFFFAOYSA-N 336.794 3.996 0 50 EHAA FC(F)(F)c1cccc(CNc2nnc([C@H]3CCCOC3)o2)c1 849158717 FQLYWJYVZOJIMT-NSHDSACASA-N 327.306 3.595 0 50 EHAA O=C(CCN1CCO[C@@H](Cc2ccccc2)C1)c1ccc(Cl)cc1 1875350232 FTJANSIHXKAEPG-IBGZPJMESA-N 343.854 3.856 0 50 EHAA Cn1ccc2cccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c21 1875359780 PRKLEMPBKZNJDH-UHFFFAOYSA-N 338.791 3.772 0 50 EHAA Cc1ccc(/C=C/CC(=O)NC[C@@]2(CO)C[C@@H]2c2ccccc2)cc1 1875332176 JPVFSFMUHYYRAE-GONYIKIESA-N 335.447 3.681 0 50 EHAA FC(F)(F)c1cc(-c2cncc(-c3nn[nH]n3)c2)ccc1Cl 1775986611 ASWPCPUKIJGIRP-UHFFFAOYSA-N 325.681 3.601 0 50 EHAA Cc1nc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)ccc1C(=O)O 263332128 MIQSPSOZJDOFKX-AWEZNQCLSA-N 338.407 3.529 0 50 EHAA CCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)nc1C 33160 BZVSDJSIEIWRNC-UHFFFAOYSA-N 330.818 3.595 0 50 EHAA COc1ccc(CCNC(=O)c2oc3ccccc3c2C)cc1OC 301757 HAJNUQVFVOPXFD-UHFFFAOYSA-N 339.391 3.731 0 50 EHAA Cc1ccc([C@H](OC[C@@H](O)CNCC2(F)CC2)c2ccccc2)cc1 2325766178 ROGWEIJKBSEELM-VQTJNVASSA-N 343.442 3.554 0 50 EHAA Nc1nonc1-c1nc2ccccc2n1Cc1c(F)cccc1Cl 66292 CPRADZBJYGDHHF-UHFFFAOYSA-N 343.749 3.509 0 50 EHAA COC(=O)c1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 441627 NEYAOJSUNVSZRW-UHFFFAOYSA-N 347.798 3.761 0 50 EHAA O=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 453560 CDUAXQNMFJFQAI-UHFFFAOYSA-N 335.153 3.539 0 50 EHAA O=C1O[C@]2(c3ccc(F)cc3)[C@H](OC(=O)C23CCCC3)C12CCCC2 467318 PHGYMSVEXAWLCS-FOIQADDNSA-N 344.382 3.624 0 50 EHAA CC[C@@H](C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O)c1ccccc1 545457 RHDVNMSIEPDJBR-CQSZACIVSA-N 337.423 3.764 0 50 EHAA Cc1cc(OCC(=O)N(C)c2ccccc2)ccc1Br 577729 NZRKBANYLCFWBW-UHFFFAOYSA-N 334.213 3.799 0 50 EHAA CCn1c2ccccc2n2c(SCc3nc4ccccc4[nH]3)nnc12 609729 CYGAGVMFXZCEMU-UHFFFAOYSA-N 348.435 3.873 0 50 EHAA COc1ccc(C)cc1NC(=O)Nc1ccc(Br)cn1 610702 YQLUTFOWIIIASF-UHFFFAOYSA-N 336.189 3.805 0 50 EHAA CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccccc2)CC1 2380372 WFLHEXUTTRRXFJ-UHFFFAOYSA-N 339.483 3.970 0 50 EHAA biogenic,in-vitro COc1cccc(N[C@H]2SC(=O)N(c3ccc(C)cc3)C2=O)c1 3145322 MEATTWPYOMAAAB-HNNXBMFYSA-N 328.393 3.642 0 50 EHAA COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2O)on1 3908592 AONMDKNSLPGMIK-UHFFFAOYSA-N 344.754 3.962 0 50 EHAA Cc1cccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)c1 4042186 HBYJYEQZIYNBBB-UHFFFAOYSA-N 327.380 3.564 0 50 EHAA COc1cc(OC)c(CN2CCC[C@@H](C)C2)cc1Br 4988862 IMHMTYCFFHOETP-LLVKDONJSA-N 328.250 3.698 0 50 EHAA CCn1cc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cn1 12716498 SKPBDOWQKRAYLO-INIZCTEOSA-N 331.847 3.651 0 50 EHAA O=C(NCCCn1ccnc1)c1sc2cc(F)ccc2c1Cl 13745288 DWKTWQLIHBJLDY-UHFFFAOYSA-N 337.807 3.710 0 50 EHAA O=C(c1csc2ccccc12)N1CCN(C2CCCCC2)CC1 16602507 RMGYBEOFPREEMF-UHFFFAOYSA-N 328.481 3.992 0 50 EHAA CN(Cc1cc(Br)cs1)C[C@H](O)c1ccccc1 16662618 GAFAHCNNRPVCOP-AWEZNQCLSA-N 326.259 3.676 0 50 EHAA CC[C@H](C)NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 20100612 JYIJHNFELFWLLM-LBPRGKRZSA-N 326.843 3.606 0 50 EHAA Cc1noc(C)c1COc1ccc(C(=O)N2CCCCCC2)cc1 20615938 BIZFLNPUJXMFLZ-UHFFFAOYSA-N 328.412 3.887 0 50 EHAA O=C(O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 30822674 ANKIAATVFMALOB-KRWDZBQOSA-N 327.424 3.956 0 50 EHAA COc1ccc(-c2cc(C(=O)O)n(-c3ccc(F)cc3F)n2)cc1 44672172 HDDFGSWPNRENMI-UHFFFAOYSA-N 330.290 3.524 0 50 EHAA CC[C@@H](Nc1cccc(OC)c1)C(=O)NCc1cccc2[nH]ccc12 55168036 FXMUTCYELZTSJX-GOSISDBHSA-N 337.423 3.683 0 50 EHAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CC[C@@H](n2ccnc2)C1 65460664 BUTZXIMHVWPNNY-CYBMUJFWSA-N 341.798 3.884 0 50 EHAA CCCC[C@@H]1CCCN1C(=O)c1cc(COc2ccccc2)[nH]n1 67678687 WXDOSRIPYOSIFU-MRXNPFEDSA-N 327.428 3.784 0 50 EHAA Cc1nc(N2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)no1 67725045 PQKHHDJQTJPJTO-UHFFFAOYSA-N 343.408 3.520 0 50 EHAA CCOc1ccc2[nH]c(=O)c(CN3CCC[C@@H]3c3ccccn3)cc2c1 67921127 CIJKQYQJIDVMMS-HXUWFJFHSA-N 349.434 3.659 0 50 EHAA COc1ccccc1-c1nccn1Cc1ccc(N2CCCC2=O)cc1 71736543 OQYSOHHZUMVPNO-UHFFFAOYSA-N 347.418 3.734 0 50 EHAA Cc1ccc(-c2nccn2-c2ccc(CCC(=O)NC3CC3)cc2)o1 72418572 XYVDPCUXOFRBIG-UHFFFAOYSA-N 335.407 3.652 0 50 EHAA O=C(CCc1cccc(F)c1)Nc1ccc(OC[C@@H]2CCCO2)cc1 79318957 RCMHKTXJTWQLRA-IBGZPJMESA-N 343.398 3.955 0 50 EHAA COCCC[C@@H]1CCCCN1C(=O)c1ccccc1OC(F)F 82114425 FIVXIZXIZUMMHB-ZDUSSCGKSA-N 327.371 3.709 0 50 EHAA CCCN(Cc1nccn1C)C(=O)c1oc2cc(OC)ccc2c1C 91603300 HRZZNLLITSDEFT-UHFFFAOYSA-N 341.411 3.536 0 50 EHAA O=C(NCCC[C@H]1CCOC1)Nc1cccc(C(F)(F)F)c1F 95505821 ZBXJXLAQUWUIFX-JTQLQIEISA-N 334.313 3.783 0 50 EHAA Cc1cc(COc2ccccc2)oc1-c1nc([C@@H]2CCOC2)no1 96138144 KKCFNDKZZSZWOO-CYBMUJFWSA-N 326.352 3.721 0 50 EHAA Cc1ccccc1CC1(NC(=O)c2ccccc2-c2ncc[nH]2)CC1 97334137 OUTMOOKRNSZTEK-UHFFFAOYSA-N 331.419 3.890 0 50 EHAA CC(C)n1cc(NC(=O)NCCc2cccc(C(F)(F)F)c2)cn1 97474948 PTHYIHYCDHHBIO-UHFFFAOYSA-N 340.349 3.847 0 50 EHAA CSc1ccc(NC(=O)c2sccc2Br)nc1 116240266 OAXWCEROCMOFMF-UHFFFAOYSA-N 329.244 3.880 0 50 EHAA Cc1cc(C[C@H](C)N[C@H]2CCCc3ncc(C(F)(F)F)cc32)n[nH]1 133611352 FIIOCXMUQHVWQA-QFYYESIMSA-N 338.377 3.730 0 50 EHAA Cc1nc(CC(C)C)c(NC(=O)N2CCC(n3ccnc3)CC2)s1 135473758 NFMSNWXILNGULV-UHFFFAOYSA-N 347.488 3.716 0 50 EHAA Fc1c(Br)ccc(Cl)c1I 169795547 WONDAUCITIKTBM-UHFFFAOYSA-N 335.341 3.846 0 50 EHAA O=C(c1cnc(-c2ccco2)s1)N1CCO[C@@H](c2ccsc2)C1 176892469 YSXLALKVXUKYOF-CYBMUJFWSA-N 346.433 3.678 0 50 EHAA CSc1cccc(C)c1NC(=O)N1CCC(c2ccnn2C)CC1 184980427 RYDZKJQBEUEPEC-UHFFFAOYSA-N 344.484 3.862 0 50 EHAA COc1cc(NC(=O)N2CCO[C@H](c3cccs3)C2)ccc1F 187040195 NMCOVWNQAAHBEY-AWEZNQCLSA-N 336.388 3.501 0 50 EHAA C[C@H](C(=O)Nc1ccc2nnc(C3CCC3)n2c1)c1cccc(F)c1 187189101 OWCQPWCDHTZDJC-LBPRGKRZSA-N 338.386 3.878 0 50 EHAA CCOc1cccc2[nH]cc(CC(=O)N(Cc3cccnc3)C3CC3)c12 189722745 SQYPEJZGXZJKEV-UHFFFAOYSA-N 349.434 3.695 0 50 EHAA CNC(=O)c1cc(NC(=O)Nc2cc(C)ccc2C)ccc1Cl 191880415 FYUMLYNNHDLQAK-UHFFFAOYSA-N 331.803 3.960 0 50 EHAA O=C(Nc1ccc2cc[nH]c2c1)N1CCO[C@@H](c2cccc(F)c2)C1 194270237 RAGOZIGNAGYOCS-GOSISDBHSA-N 339.370 3.912 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(Br)s1 227223523 GZQMLOCPMLFHIA-DLOVCJGASA-N 344.274 3.728 0 50 EHAA O=C(O)CC[C@@H]1CCCCN1C(=O)CCc1ccc(Cl)s1 237924121 BVYLPXDBZWIORN-NSHDSACASA-N 329.849 3.580 0 50 EHAA C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1Cl 247038674 VDJAQVGANJUISD-PWSUYJOCSA-N 328.243 3.694 0 50 EHAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)CN1CCc2ccccc2C1 252428050 OTTUUPAQKHWADJ-CIQXWFTPSA-N 345.527 3.883 0 50 EHAA CC(C)=C[C@@H]1[C@H](C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@H]2C)C1(C)C 252512828 WBLKFJQZWOXKDX-GFOCRRMGSA-N 340.467 3.619 0 50 EHAA COc1cccc(NC(=S)N2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)c1 252680091 VUNGYBRELNFPSO-INMHGKMJSA-N 347.528 3.729 0 50 EHAA CN(CCCNC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccccc2)C1 253393220 HSYBYCKEFDKHPQ-SFHVURJKSA-N 347.503 3.502 0 50 EHAA Cc1ccc2c(c1)CC[C@H](C(=O)N1CCC[C@@H]1c1csc(C)n1)O2 253427990 FXSDHSBPAABVTC-SJLPKXTDSA-N 342.464 3.817 0 50 EHAA CC1CCC(OC2CCN(C(=O)c3ccc(C(=O)O)cc3)CC2)CC1 262144198 NSWWRTLMECBJKK-UHFFFAOYSA-N 345.439 3.585 0 50 EHAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(F)nc2)c1 299797127 RNCVQDPOSFMHDT-QGZVFWFLSA-N 343.402 3.742 0 50 EHAA COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@@H]2CCOC2)cc1 328587389 KYXOHIMXBUTKST-MAUKXSAKSA-N 339.435 3.918 0 50 EHAA COc1ccccc1[C@H]1CCCN1C(=O)N=c1cc(C(C)C)o[nH]1 331524643 KRMSJMPEMSXWDX-CQSZACIVSA-N 329.400 3.598 0 50 EHAA CCc1cc2oc(=O)cc(CN3CCC[C@]34CCOC4)c2cc1Cl 367456922 DJZJRDNMHGCSCU-LJQANCHMSA-N 347.842 3.764 0 50 EHAA CC(C)[C@@H]1C=CCN1C(=O)c1cccc(-c2cnn(CC3CC3)c2)c1 534660550 BRPWPGQGZUDHNC-FQEVSTJZSA-N 335.451 3.997 0 50 EHAA CC[C@@H](NC(=O)N1CC(N2CCCCC2)C1)c1ccc(C)c(C)c1 584887161 CYYLOFJOGVNOEQ-LJQANCHMSA-N 329.488 3.634 0 50 EHAA CC[C@H](NC(=O)N(C)Cc1[nH]c2ccccc2c1C)c1ncc(C)[nH]1 670473773 UHMZRQXJFMBBAP-HNNXBMFYSA-N 339.443 3.801 0 50 EHAA CC[C@H](C)C(=O)Nc1ccccc1NC(=O)c1cn2ccccc2n1 822560171 YJGFMXMXXPDOLU-ZDUSSCGKSA-N 336.395 3.571 0 50 EHAA C=CC(=O)NCc1ccc(C(=O)NC2CCC(C3CCC3)CC2)cc1 856252714 SCUURDUPIQFCJC-UHFFFAOYSA-N 340.467 3.578 0 50 EHAA CCCCc1nc(CN(C)CCc2scnc2C)c(Cl)[nH]1 952987613 FVNRTDOSVOGNRF-UHFFFAOYSA-N 326.897 3.845 0 50 EHAA CC(C)Cc1ncc(C(=O)Nc2nnc(-c3ccncc3)s2)s1 1333939997 IRUPRNPPFRXZAP-UHFFFAOYSA-N 345.453 3.507 0 50 EHAA COCc1nccc(N(Cc2ccccn2)Cc2ccccc2C)n1 1351974111 ATPJXBIDDKOUMJ-UHFFFAOYSA-N 334.423 3.533 0 50 EHAA Cc1ccc(NC(=O)CN(C)Cc2cccc3cnccc23)c(C)c1 1529178897 UKXCNSZAEILXFA-UHFFFAOYSA-N 333.435 3.922 0 50 EHAA O[C@@H]1CCC[C@@]12CCCN(Cc1ccc(OC(F)(F)F)cc1)C2 1704340437 IISVAPKEIGTUNB-CVEARBPZSA-N 329.362 3.712 0 50 EHAA Cc1noc([C@H]2CCCN2C(=O)c2c(C)sc3ccccc23)n1 1857722699 OEASCHGJJZCHKK-CYBMUJFWSA-N 327.409 3.878 0 50 EHAA C[C@H](NC(=O)N1CCCCC[C@H]1Cc1cccs1)c1nccn1C 1875267627 AHGMIPUPHCUOPU-GJZGRUSLSA-N 346.500 3.740 0 50 EHAA Cc1cn2nccc2c(NC[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)n1 1875362011 LQQMDWUATWNYJN-QFBILLFUSA-N 349.482 3.608 0 50 EHAA CCCN(Cc1ccc(F)cc1C)Cc1nnn(C)c1C(F)F 2325772066 TZXAPYJCHPBYQP-UHFFFAOYSA-N 326.366 3.612 0 50 EHAA O=C(O[C@H]1C[C@H](n2ccnc2)C1)[C@@H]1COc2ccc3ccccc3c2C1 2325799097 UKEWYQPHMNJMDR-ULQDDVLXSA-N 348.402 3.534 0 50 EHAA COC1(c2ccccc2)CCN(c2ccc(Cl)c(C(=O)O)n2)CC1 2356142322 NLSWNYXBSPESAR-UHFFFAOYSA-N 346.814 3.575 0 50 EHAA O=C(O)c1c(N2C[C@H]3CC[C@H](C3)C2)noc1-c1ccc(Cl)cc1 2356155476 FDUBHVQLINOIGM-PHIMTYICSA-N 332.787 3.930 0 50 EHAA O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1Cl 67796 DRMYZENYZVHLPK-UHFFFAOYSA-N 328.843 3.734 0 50 EHAA CCOC(=O)c1c(-c2ccc(Br)cc2)csc1N 137201 SEWFWRCESBYGFS-UHFFFAOYSA-N 326.215 3.937 0 50 EHAA in-vitro CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)c1 450383 QZMYNIFGBVOHMY-UHFFFAOYSA-N 349.843 3.649 0 50 EHAA CC(=O)Nc1cccc(NC(=O)c2ccc(Br)s2)c1 1054589 YEZGJVIIPATNMM-UHFFFAOYSA-N 339.214 3.721 0 50 EHAA CCOc1cc(-c2csc(N)n2)c(OCC)cc1Br 2582668 VOZAJEJVNURLCY-UHFFFAOYSA-N 343.246 3.952 0 50 EHAA Cc1nn(C)c(C)c1CNC(=O)c1sc2ccccc2c1Cl 2763994 VXSAYUQOTNYUQZ-UHFFFAOYSA-N 333.844 3.835 0 50 EHAA Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)N(C)C 2767215 BEBXHGYDXYYFNX-UHFFFAOYSA-N 345.468 3.703 0 50 EHAA Cc1cc(OCC(=O)c2ccccc2)c2c3c(c(=O)oc2c1)CCC3 4387737 ZSDUTQOHZRLFIL-UHFFFAOYSA-N 334.371 3.852 0 50 EHAA O=C(NCc1nc(-c2ccccc2)no1)c1cc(Cl)ccc1Cl 6698165 MXFVWRSLXAPJBQ-UHFFFAOYSA-N 348.189 3.973 0 50 EHAA O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(-n2cnnc2)c1 6701965 SRCFESKBNMOQDB-UHFFFAOYSA-N 332.285 3.538 0 50 EHAA CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 7408492 QWLMCBVZMNXAGB-OAHLLOKOSA-N 340.423 3.575 0 50 EHAA COc1cc(OC)cc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 9141918 ABSHEGNEYCJUPV-UHFFFAOYSA-N 342.395 3.551 0 50 EHAA COc1ccc(-c2cnc3c(-c4ccc(OC)cc4)cnn3c2N)cc1 9261239 MDDNBTSBOAZJDQ-UHFFFAOYSA-N 346.390 3.663 0 50 EHAA C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2Cl)C[C@@H](C)O1 13326589 DJYDFVYGDXIXTO-PHIMTYICSA-N 346.254 3.787 0 50 EHAA Cc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C 16648368 GDQZPFRXRQLRNZ-UHFFFAOYSA-N 336.435 3.721 0 50 EHAA COc1ccc(-c2cc(C(N)=O)c3cc(Cl)ccc3n2)cc1OC 17071617 ZKDJRAXBSFSXIA-UHFFFAOYSA-N 342.782 3.671 0 50 EHAA Cc1ccc(-c2cccc(-c3ccn(Cc4cscn4)n3)c2)nn1 19810242 DBEHCXNHDZTRRZ-UHFFFAOYSA-N 333.420 3.820 0 50 EHAA c1ccc(CCCN2CCC[C@H](NCc3nc4ccccc4[nH]3)C2)cc1 20598403 FXTJIOPCKONRLO-IBGZPJMESA-N 348.494 3.750 0 50 EHAA O=C(Nc1nnc(-c2cccs2)s1)N1CCc2ccccc2C1 23369122 IZAGLIQQUURESB-UHFFFAOYSA-N 342.449 3.857 0 50 EHAA COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccc(C)cc32)cc1OC 26665488 GDAJGLDMCDMPIR-SFHVURJKSA-N 336.435 3.923 0 50 EHAA in-vitro O=S(=O)(c1cc(F)ccc1F)N1CCC[C@H]1c1cccc(F)c1 35476451 NKJKJTACDBVQLT-HNNXBMFYSA-N 341.354 3.630 0 50 EHAA Fc1cccc(C2=NN(c3ccccc3)CN(c3ccccc3)N2)c1 44583698 GFXXROXWHCKYTG-UHFFFAOYSA-N 332.382 3.976 0 50 EHAA Cc1nn(C)c(C)c1CN(Cc1ccc(C(F)(F)F)nc1)C(C)C 55042430 PFCGTOHVGJLAFY-UHFFFAOYSA-N 340.393 3.861 0 50 EHAA Cc1nc(-c2c(-c3ccccc3)ncn2CCc2ccccn2)c[nH]1 65396768 RMZZGXMKIDRGDT-UHFFFAOYSA-N 329.407 3.886 0 50 EHAA Cc1ccc(C)c(NC(=O)CCn2cc(-c3sccc3C)nn2)c1 67605659 LCIQIGWOEZOONJ-UHFFFAOYSA-N 340.452 3.961 0 50 EHAA COC(C)(C)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1 67790107 GOYJVRZJNSYIDZ-UHFFFAOYSA-N 341.455 3.516 0 50 EHAA Cc1cc(CN2CC[C@@H](CNC(=O)Nc3ccccc3)C2)oc1C 67920683 AKMKFNNEWSTBIH-INIZCTEOSA-N 327.428 3.540 0 50 EHAA CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@@]1(C)CCCCO1 72456782 FYNQLGSNHQBSAK-GOSISDBHSA-N 330.453 3.728 0 50 EHAA CC(C)c1noc([C@@H]2CCCN2CCCC(=O)c2ccccc2)n1 77353404 HNDYHNJBBDOPAA-INIZCTEOSA-N 327.428 3.993 0 50 EHAA c1ccc(-c2nc(N3CCC[C@@H](c4nc5ccccc5[nH]4)C3)no2)cc1 77452422 OVSIFDOPCGURRZ-OAHLLOKOSA-N 345.406 3.997 0 50 EHAA Cn1ccnc1C1CCN(CCCCOCc2ccccc2)CC1 91645427 WHIVHGDLJXFRNZ-UHFFFAOYSA-N 327.472 3.597 0 50 EHAA CC(=O)c1cc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)cs1 91691318 NHKGAGNNGRVFCH-FUHWJXTLSA-N 332.513 3.647 0 50 EHAA CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccsc1)CC2 95379092 JINGHQRPBWDXOE-SFHVURJKSA-N 340.492 3.729 0 50 EHAA COc1cc(NC(=O)N(CC2CCC2)C[C@@H]2CCCO2)ccc1F 95511379 LEVZDCXZFJPHLK-HNNXBMFYSA-N 336.407 3.647 0 50 EHAA Cc1ccc([C@@H](NC(=O)CCc2ccncc2)c2cccnc2)c(C)c1 97744583 SGEGETUBKNBKKR-QFIPXVFZSA-N 345.446 3.932 0 50 EHAA O=C(Nc1ccc(Sc2nncs2)cc1)[C@@H]1C[C@H]2C=C[C@H]1C2 119814011 DGOCBNYHFWVRBT-COPLHBTASA-N 329.450 3.840 0 50 EHAA O=C(NCCC[C@H]1CCCCO1)Nc1ccc(-c2ncco2)cc1 170595370 BVWOKNDUTROGIL-MRXNPFEDSA-N 329.400 3.812 0 50 EHAA CC1CCC(N(C)C(=O)c2cc(F)cc(Br)c2O)CC1 170610221 FPRLPYGCQIOXBC-UHFFFAOYSA-N 344.224 3.945 0 50 EHAA CSc1ccc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)o1 173137064 YQDLZOZOZFLGCV-AWEZNQCLSA-N 339.420 3.642 0 50 EHAA COc1cccc(CNC(=O)N(Cc2ccoc2)C2CCCCC2)n1 174469226 GESASUXMIPEJLQ-UHFFFAOYSA-N 343.427 3.728 0 50 EHAA Cc1n[nH]nc1C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)nc1 194590603 FWIRPTXWDNAZOY-UHFFFAOYSA-N 348.193 3.734 0 50 EHAA COc1ccc(-c2noc(-c3c(F)cccc3OC)n2)cc1OC 225479346 AIAVTLDJFKFNDY-UHFFFAOYSA-N 330.315 3.569 0 50 EHAA CSc1ccccc1C(=O)N[C@@H](CO)c1ccc(Cl)c(F)c1 225494461 GBDDBLFWNJTCFQ-AWEZNQCLSA-N 339.819 3.664 0 50 EHAA Cc1ccc2c(C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)csc2c1 241846644 SMOIXFPQMKEZJQ-ACJLOTCBSA-N 347.505 3.994 0 50 EHAA CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 248336426 OIXXPYOHNRPZBT-ZLKJLUDKSA-N 345.336 3.730 0 50 EHAA CC[C@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CCCO1 252484704 GFCHXFQNZBCPBA-NSHDSACASA-N 333.762 3.583 0 50 EHAA CN(C[C@@H](O)CCc1ccccc1)[C@H]1CCCN(c2ccccc2)C1 252512021 LNVKTJAPYHTFRQ-VXKWHMMOSA-N 338.495 3.581 0 50 EHAA COCc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCC(F)(F)C2)o1 253394894 CANFXWHPDAHJMN-JSGCOSHPSA-N 327.371 3.915 0 50 EHAA CC(C)C[C@H](NC(=O)[C@H](C)c1ccccn1)c1nc2ccccc2[nH]1 253404985 XBYZAUJOOXABCN-KDOFPFPSSA-N 336.439 3.965 0 50 EHAA O[C@H](C[C@H]1CCCN1c1nccc(C(F)(F)F)n1)c1cccs1 253432913 PTOUYDXYYMOINO-GHMZBOCLSA-N 343.374 3.649 0 50 EHAA CO[C@@](C)(C(=O)N1CCC(c2nccs2)CC1)c1ccccc1F 253433494 XOYJTOQMRREODS-GOSISDBHSA-N 348.443 3.550 0 50 EHAA Cc1cc(NC(=O)c2cc(C(C)(C)C)on2)ncc1Br 267448862 DTFKFVBZCVYOTI-UHFFFAOYSA-N 338.205 3.690 0 50 EHAA CN(C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CCOC1 271277185 LEWZGIFMIWNAIX-HUUCEWRRSA-N 342.361 3.587 0 50 EHAA CO[C@H]1CCC[C@H](CC(=O)N(Cc2ccco2)c2ccccn2)C1 280778227 PVFLDLXZHWWWEO-HOTGVXAUSA-N 328.412 3.803 0 50 EHAA Cc1ccc(C)c2c(C)c(C(=O)N3CCC4(CC3)OCCCO4)oc12 293928680 DLSTUTIEOARGAT-UHFFFAOYSA-N 343.423 3.727 0 50 EHAA O=C(CCSCc1ccccn1)N1CCC[C@@H](C(F)(F)F)C1 299136203 NRSYAJNRSYRNOI-GFCCVEGCSA-N 332.391 3.506 0 50 EHAA N=c1[nH]c(C2CC2)ncc1-c1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 333073953 DCNKGXORMRIIPM-IACUBPJLSA-N 339.443 3.890 0 50 EHAA COc1cccc([C@@H](C)NC(=O)c2c[nH]nc2-c2ccccc2F)c1 445692316 VEDKJNXOFILTKQ-GFCCVEGCSA-N 339.370 3.715 0 50 EHAA COC(=O)c1cc(NC(=O)N[C@@H](C)c2cccc(F)c2F)ccc1C 499932748 TUWOEOQUJUKULP-NSHDSACASA-N 348.349 3.943 0 50 EHAA Cc1ccc(CN(Cc2ccco2)C(=O)CCc2ccon2)s1 667302595 RSPNRLZVNCEFOS-UHFFFAOYSA-N 330.409 3.799 0 50 EHAA CC(=O)Nc1sc(NC(=O)[C@H]2CC23CCC3)nc1-c1ccccc1 681364876 HSSUXXCQYALOSJ-CYBMUJFWSA-N 341.436 3.897 0 50 EHAA CCc1nc(COC(=O)[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)cs1 844382534 WKKVSFVKAVIJJM-NEPJUHHUSA-N 339.457 3.507 0 50 EHAA O=S(=O)(O)[C@@H]1CCCN(Cc2ccc(C3CCCCC3)cc2)C1 888096461 VZNLDXUUGYMFBN-GOSISDBHSA-N 337.485 3.587 0 50 EHAA O=C(C[C@H]1CCC2(CCC2)O1)Nc1ccnc(N2CCCCC2)c1 888577407 DFOVHWMXUBBKRK-MRXNPFEDSA-N 329.444 3.502 0 50 EHAA O=C(O)c1cncc(CN2CCC(Cc3c(F)cccc3F)CC2)c1 903907489 OETRKWWZTFREBK-UHFFFAOYSA-N 346.377 3.513 0 50 EHAA O=C(Nc1ccns1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 932026549 RWPWLEXPWYHCNZ-HNNXBMFYSA-N 329.425 3.529 0 50 EHAA Cc1ccncc1C(=O)Nc1ccc(NC(=O)C(C)C)c(Cl)c1 952984663 LONGPVIZOUEARE-UHFFFAOYSA-N 331.803 3.890 0 50 EHAA CSc1ccc2c(C)cc(N3CCC[C@@H](c4nc[nH]n4)C3)nc2c1 1704339293 QGWJWNLHDIMZQB-CYBMUJFWSA-N 339.468 3.767 0 50 EHAA O=C1NCCc2cc(F)c(NCc3cccc(-c4ccncc4)c3)cc21 1875349919 SQUNXRGKANHLNW-UHFFFAOYSA-N 347.393 3.786 0 50 EHAA O=C(O[C@H]1C[C@@H](c2cccc(Cl)c2)C1)[C@H]1CCc2ncncc2C1 2325754823 SRMKVWYHDOIRRD-GRDNDAEWSA-N 342.826 3.724 0 50 EHAA COC(=O)c1cccc(-c2cccc(N[C@H]3CCN(C4CC4)C3)c2)c1 2325869043 WYHCMYFLARIQTF-IBGZPJMESA-N 336.435 3.789 0 50 EHAA CC(C)(C)Oc1ccc(CNC(=O)C23CC2C3)c(C(F)(F)F)c1 2325898238 XWBVTSDDTRSLRV-UHFFFAOYSA-N 327.346 3.909 0 50 EHAA Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 310879 ROVSTWIJCAJCAN-UHFFFAOYSA-N 340.398 3.625 0 50 EHAA CCc1cc(=O)oc2cc(OCC(=O)c3ccc(F)cc3)ccc12 408787 RJQISJJJIXFBTH-UHFFFAOYSA-N 326.323 3.756 0 50 EHAA biogenic O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccccn1 615418 WCUXZVOOAIPKHJ-UHFFFAOYSA-N 346.799 3.516 0 50 EHAA CCCCSc1nc2ccc(NC(=O)/C=C/C(=O)O)cc2s1 3106449 ZAGAZAIWNSMKPN-VOTSOKGWSA-N 336.438 3.768 0 50 EHAA O=C(OCc1c(F)cccc1Cl)c1cc(=O)[nH]c2ccccc12 4440718 JRSPQBRKUVBHDU-UHFFFAOYSA-N 331.730 3.678 0 50 EHAA COc1ccccc1/C=C/CN1CCN(c2ccccc2OC)CC1 6667531 ROKHCLFGINVHSI-VQHVLOKHSA-N 338.451 3.539 0 50 EHAA Cc1cccc(-c2noc(CNC(=O)Nc3ccc(F)cc3)n2)c1 6702850 BGDQMNPLVQEEOY-UHFFFAOYSA-N 326.331 3.506 0 50 EHAA CCc1cc(C(=O)OC)c(NC(=S)NCCc2ccccc2)s1 6708486 CTHJHMIFWRPDMV-UHFFFAOYSA-N 348.493 3.626 0 50 EHAA Cc1ccc2oc(C(=O)NC[C@H]3COc4ccccc4O3)c(C)c2c1 11838302 CINBHAYPQXSMDU-AWEZNQCLSA-N 337.375 3.619 0 50 EHAA COc1cccc(CC[C@@H]2CCCN(Cc3cnn(C)c3C)C2)c1 12072540 UUUWDDFGJAISNM-SFHVURJKSA-N 327.472 3.582 0 50 EHAA CC(C)(C)c1ccc(OC[C@@H](O)C[S@@](=O)Cc2ccccc2)cc1 12381724 ZSQKPFKNQLPLDZ-HOYKHHGWSA-N 346.492 3.673 0 50 EHAA O=C(c1ccc(F)cc1F)N1CCC[C@H](Nc2ccc(F)cc2)C1 12467576 GMWJYRZRKUHHOF-HNNXBMFYSA-N 334.341 3.821 0 50 EHAA O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1 17070836 DHSGHCNMXJUUTB-UHFFFAOYSA-N 337.269 3.784 0 50 EHAA O=C(NC[C@@H]1CCCCO1)c1ccc(CSc2ccccn2)cc1 55119429 HZRIXEBVKRZRRL-KRWDZBQOSA-N 342.464 3.673 0 50 EHAA Fc1ccc(Cl)c(-c2nn3c(-c4cccnc4)nnc3s2)c1 61717983 OFMAQESNRGTUBJ-UHFFFAOYSA-N 331.763 3.707 0 50 EHAA Brc1cc(I)cc2cccnc12 65337157 PZFOVNDUVUJBHD-UHFFFAOYSA-N 333.954 3.602 0 50 EHAA in-vitro CC[C@H](CO)N(Cc1ccsc1)Cc1ccc(-c2cc[nH]n2)s1 67743290 KVMJVHLNTIQSBP-CQSZACIVSA-N 347.509 3.973 0 50 EHAA Cc1cccc2c(CCNC3CCN(Cc4ccccn4)CC3)c[nH]c12 67856272 FNGYNHXHYKQDLA-UHFFFAOYSA-N 348.494 3.668 0 50 EHAA Cc1cccc(Cl)c1C(=O)NC[C@H]1CCCN(Cc2ccco2)C1 67983181 WXNNUQJUWXEFGE-OAHLLOKOSA-N 346.858 3.883 0 50 EHAA CCn1ncc(CNc2cc(-c3ccccc3)nc3ccnn23)c1C 72146748 ZAASQWNXSAIVEU-UHFFFAOYSA-N 332.411 3.533 0 50 EHAA COc1cccc(OC[C@H]2CCCN(c3ccc4cc[nH]c4n3)C2)c1 72475916 HHKFYGLGCMYBER-HNNXBMFYSA-N 337.423 3.867 0 50 EHAA Cc1ncsc1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 77284580 ZAZXIAYGCUPWEO-CYBMUJFWSA-N 334.416 3.522 0 50 EHAA Cc1ccc(-c2cc(C(=O)N(C)CC[C@@H](O)c3ccccc3)n[nH]2)cc1 91468411 AMNCKESTYYGXPB-HXUWFJFHSA-N 349.434 3.581 0 50 EHAA CC(C)n1ccnc1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 91475663 IHOUGPHNUKKQHV-RBUKOAKNSA-N 337.467 3.974 0 50 EHAA Cc1ccc(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)cc1C 91550674 JABYXKQONCSAMC-UHFFFAOYSA-N 326.484 3.670 0 50 EHAA O=S(=O)(c1ccccc1)[C@@H]1C[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1C21CC1 101003650 ZISVEJMASMIFOQ-FZQIUNFVSA-N 326.461 3.985 0 50 EHAA CCC(CC)N1C[C@@H](c2nc(-c3ccccc3Cl)no2)CC1=O 113732983 INLJLKQXBSYSSR-NSHDSACASA-N 333.819 3.895 0 50 EHAA COC(=O)CCSc1cccc(NC(=O)N2CCCCCC2)c1 164756627 RVMIKMFBYMELJN-UHFFFAOYSA-N 336.457 3.750 0 50 EHAA C[C@H]1CN(C(=O)/C=C/c2cccc(OC3CCCC3)c2)CCCO1 171422300 NGWSKBJTTNOQEG-OFAQMXQXSA-N 329.440 3.659 0 50 EHAA CCOc1ccc(OCCN2CCC[C@H](n3ccnc3CC)C2)cc1 171523191 FMXQXDAQLTUKPI-KRWDZBQOSA-N 343.471 3.560 0 50 EHAA Cc1cccnc1[C@@H](NC(=O)N1CCc2sccc2C1)C(C)C 172075810 OESSUDAJBFXSQG-INIZCTEOSA-N 329.469 3.917 0 50 EHAA Cc1csc([C@@H](NC(=O)N[C@@H](C)c2cccc(O)c2)C2CC2)n1 174867715 HYEVMYRYYMTBSH-NHYWBVRUSA-N 331.441 3.669 0 50 EHAA Cc1[nH]ccc1C(=O)Nc1ccc(OCc2cn3ccccc3n2)cc1 176283885 RMDGFEVUTUCRRB-UHFFFAOYSA-N 346.390 3.802 0 50 EHAA C1=C[C@H](Sc2nnc(-c3cnccn3)n2Cc2ccco2)CCC1 178288414 BXIMGTBWQOOHCS-AWEZNQCLSA-N 339.424 3.577 0 50 EHAA CC1(C)CN(C(=O)c2nc3ccccc3s2)CC2(CCCC2)O1 189951777 RVOWDDNCTUFOPO-UHFFFAOYSA-N 330.453 3.860 0 50 EHAA CCN(Cc1cccs1)[C@@H](C)C(=O)N1CCc2sccc2C1 192613691 WPICEEMRXJGZEB-ZDUSSCGKSA-N 334.510 3.605 0 50 EHAA C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)[C@@H]3CC=CCC3)n2)C1 229676858 RCMLOWANKKEURO-QLFBSQMISA-N 333.501 3.916 0 50 EHAA CC1(C)C[C@@]1(C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1)c1ccc(F)cc1 248338849 SABJWVUWHRAAIN-YRVVQQKDSA-N 347.430 3.501 0 50 EHAA Cc1nc(CN2C[C@@H](O)C[C@@H]2c2ccccc2C(F)(F)F)oc1C 253397447 UOXOTXYDTHHZFR-SWLSCSKDSA-N 340.345 3.618 0 50 EHAA O[C@H](CN1CCC(c2nccs2)CC1)c1ccc(F)cc1Cl 253432096 VTSSTZBBELHTOS-OAHLLOKOSA-N 340.851 3.849 0 50 EHAA COC(=O)c1nc(NC(=O)[C@@H](C(C)C)n2cccc2)sc1C(C)C 263588634 WJVBVDZRVXKZIC-CYBMUJFWSA-N 349.456 3.690 0 50 EHAA Cc1cc2cc(C(=O)N[C@H](C)c3nncn3C3CCCC3)ccc2o1 299799130 QQYMIGMUTPAHCP-CYBMUJFWSA-N 338.411 3.939 0 50 EHAA c1cc(CNCc2ccncc2)cc(OCCCc2ccncc2)c1 299800345 VUHYFSWEYMVQDS-UHFFFAOYSA-N 333.435 3.778 0 50 EHAA CC[C@@H]1C[C@H](CC(=O)N=c2ccc3cccc(Cl)c3[nH]2)CCO1 332436275 GTNQOTLXFMNFDX-TZMCWYRMSA-N 332.831 3.844 0 50 EHAA COc1ccc(Cl)cc1Cn1nc(C)c([C@@H]2CCCC(=O)N2)c1C 408525069 JVTHRSPZFOEXOH-HNNXBMFYSA-N 347.846 3.551 0 50 EHAA O=C(CCCC(=O)c1ccccc1)N[C@@H]1COC2(CCCCC2)C1 426535707 UISUCJWHHVCPMV-KRWDZBQOSA-N 329.440 3.648 0 50 EHAA Cc1ccc(N2CCN(C(=O)NCCSC(C)(C)C)[C@@H](C)C2)cc1 534644769 JPIZPLRDSJKNPB-INIZCTEOSA-N 349.544 3.747 0 50 EHAA O=C(CCc1ccccc1C(=O)O)NC1(c2cccc(F)c2)CCC1 649259095 PJVHWGQUJSDZHD-UHFFFAOYSA-N 341.382 3.652 0 50 EHAA CCCCc1ncc(CNC2CCN(c3cccc(C)c3)CC2)[nH]1 952970289 UZBGQYHBYFDWEJ-UHFFFAOYSA-N 326.488 3.819 0 50 EHAA CN(C[C@@]1(c2ccccc2)CC1(C)C)c1nnc(Cc2ccncc2)o1 1772701028 GZJWRYIWJIDZTP-OAQYLSRUSA-N 348.450 3.860 0 50 EHAA O=C(O)c1cc(C=Cc2csnn2)nc(-c2ccc(Cl)cc2)n1 1857530048 GSVVIJTYRRWLOZ-UHFFFAOYSA-N 344.783 3.517 0 50 EHAA CC1(C(=O)N[C@@H]2CCCN(Cc3ccccn3)CC2)CCCCC1 1875302762 GKCOUVDPSZCZNJ-QGZVFWFLSA-N 329.488 3.523 0 50 EHAA O=C(O)c1cc2[nH]c(C(=O)N3CC[C@@H](c4cccs4)C3)cc2s1 1875315675 DCQIOVCGCUBPCR-SECBINFHSA-N 346.433 3.619 0 50 EHAA Cc1cc(OS(=O)(=O)C[C@H]2CCC[C@@H](C)C2)c(C=O)cc1Cl 1875386930 FOCHWVATZIQCDN-YPMHNXCESA-N 344.860 3.996 0 50 EHAA O=C(OCc1ccc(Oc2cccnc2)cc1)[C@@H]1C[C@H]1[C@H]1CCCO1 2325769098 HEPIVSHJAIIEEM-GUDVDZBRSA-N 339.391 3.732 0 50 EHAA CCCC1(C(=O)NC[C@H](C)CNC(=O)[C@H]2CCC[C@@H](C)C2)CCC1 2325793054 DJSPSNFACMJLNF-ZACQAIPSSA-N 336.520 3.652 0 50 EHAA Cc1ncn(-c2ccc(NC(=O)c3csc(C(F)F)n3)cn2)c1C 2325824740 OJTQYRYRZBMPJQ-UHFFFAOYSA-N 349.366 3.531 0 50 EHAA Cc1cnc(Cl)cc1NC(=O)N=c1cc(-c2ccccc2C)[nH][nH]1 2325840752 ONXHMFMIWAZWMM-UHFFFAOYSA-N 341.802 3.808 0 50 EHAA CN1CCN(C(=O)NC[C@H]2CCCC(C)(C)C2)C[C@@H]1c1cccs1 2325842854 KRTNGFZJBIERQH-JKSUJKDBSA-N 349.544 3.963 0 50 EHAA CC(=O)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 180251 CDVZPXOBIAGSTR-UHFFFAOYSA-N 343.326 3.709 0 50 EHAA COc1ccc(NC(=O)COc2cccc3ccccc23)c(OC)c1 441117 SAPJXLKWGBDXOM-UHFFFAOYSA-N 337.375 3.875 0 50 EHAA O=C(CSc1ncnc2c1oc1ccccc12)NCc1ccccc1 2722806 LJPBSZUXEWBSMV-UHFFFAOYSA-N 349.415 3.785 0 50 EHAA CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 2866622 HDDYIIYFGVDJAR-UHFFFAOYSA-N 328.393 3.606 0 50 EHAA Cc1ccc(-c2nnc(-c3cccc(NC(=O)[C@@H]4CCCO4)c3)o2)cc1 4842351 VYZWRTSEUXAAQK-KRWDZBQOSA-N 349.390 3.830 0 50 EHAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(F)cc1 4866335 ZJFCORQETWEDDW-UHFFFAOYSA-N 339.370 3.927 0 50 EHAA COc1cccc2cc(-c3nc(-c4cccs4)no3)c(=O)oc12 6817085 XNWPLBCGDMVKJD-UHFFFAOYSA-N 326.333 3.580 0 50 EHAA O=C(c1ccncc1)N1CCN(C2CCC(c3ccccc3)CC2)CC1 54991899 QVTUHFJVDXCSJZ-UHFFFAOYSA-N 349.478 3.566 0 50 EHAA Cc1cncc(C(=O)Nc2ccc(NC(=O)c3ccc(C)o3)cc2)c1 55211414 WCELADSELGPLNY-UHFFFAOYSA-N 335.363 3.796 0 50 EHAA Cc1nc(NC(=O)N[C@H](c2ccccc2)c2ccco2)nn1C(C)C 55271467 MUKXWZPGKJWYIH-MRXNPFEDSA-N 339.399 3.672 0 50 EHAA Cc1ccc(F)c(NC(=O)CCC(=O)NCCCC2CCCC2)c1 55343311 JIEDSGUDVVFTMX-UHFFFAOYSA-N 334.435 3.939 0 50 EHAA C(=C/c1ccccc1)\CN1CCN([C@H]2CCc3ccccc3C2)CC1 22586778 RAIMARIHCIACFL-CJHOVAGGSA-N 332.491 3.875 0 50 EHAA C[C@H](O)CN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 67975169 BGXSBGCOUIWDDF-INIZCTEOSA-N 348.446 3.594 0 50 EHAA O=C(N[C@H]1CCCc2occc21)c1cccc(Oc2cnccn2)c1 134752937 AWBLHLVGIIGMKY-INIZCTEOSA-N 335.363 3.669 0 50 EHAA CC[C@H](NC1CCN(c2ccccn2)CC1)c1ccc2c(c1)CCO2 124348311 ORYJLVNRWXNFJP-IBGZPJMESA-N 337.467 3.726 0 50 EHAA O=C1CCC2(CCN1)CCN(Cc1cccc(-c3ccco3)c1)CC2 215987132 NCISNVSUAJRWLT-UHFFFAOYSA-N 338.451 3.829 0 50 EHAA Cc1cccc(C)c1OC[C@H](C)NCc1cccc(CN(C)C)c1 32558384 KPKMNZWSGBRCQZ-SFHVURJKSA-N 326.484 3.922 0 50 EHAA CCc1ccc([C@H]2CCCN2C(=O)N=c2nc(C(C)(C)C)[nH]s2)o1 331694540 YSIQTMRMWSFODN-GFCCVEGCSA-N 348.472 3.782 0 50 EHAA CC(C)C[C@@H](C)OCCc1nc(-c2ccc(OC(F)F)cn2)no1 445510806 GJUAGNOHLWHHHI-LLVKDONJSA-N 341.358 3.727 0 50 EHAA CSc1ccccc1C(=O)NC1CCN(c2cccc(C)n2)CC1 172248244 ITAKPCIHWMFBIB-UHFFFAOYSA-N 341.480 3.511 0 50 EHAA CCOc1cc(C)ccc1CNC(=O)N1CCCC[C@H]1c1ncc[nH]1 129053097 VBVNJJWXLUAIFQ-INIZCTEOSA-N 342.443 3.554 0 50 EHAA Cc1ccc(F)c(C(=O)NC2(CC(=O)O)CCCCC2)c1Cl 223739048 VPXWONVXBLTUDO-UHFFFAOYSA-N 327.783 3.695 0 50 EHAA CC[C@H](C)Oc1cccc(NCc2cnc(C3OCCO3)s2)c1 289273174 NSMODMVOPWDMRD-LBPRGKRZSA-N 334.441 3.978 0 50 EHAA CN1CCCC[C@H]1CNc1nncc(-c2cccc3ccccc23)n1 19595184 PKOOAACIVUSNQS-INIZCTEOSA-N 333.439 3.588 0 50 EHAA CC(C)c1cnc(-c2ccc(NC(=O)N3CC[C@@H](C)[C@H]3CO)cc2)o1 225507238 IKRRFPIQBUTRFD-CZUORRHYSA-N 343.427 3.700 0 50 EHAA CN(C/C=C/c1ccccc1)C(=O)N[C@H]1COC2(CCCCC2)C1 426440266 JDROWXQPIHNETG-VEGGFIAOSA-N 328.456 3.833 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 91650916 CWOQBERUOPDBMX-OAHLLOKOSA-N 331.847 3.885 0 50 EHAA CC1(C)CN(c2cc(C(=O)N3CCCC3)ccn2)C[C@H]1c1ccccc1 426552147 XRYZNFZXKKZBJS-IBGZPJMESA-N 349.478 3.948 0 50 EHAA Cc1ccccc1CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2C 95353700 DIODYYJASLHEDT-OAQYLSRUSA-N 348.490 3.976 0 50 EHAA Cc1ccc([C@@H](NC(=O)CCCc2cn[nH]c2)c2cccnc2)cc1C 97244094 DZNCLRRXLQSFBF-OAQYLSRUSA-N 348.450 3.650 0 50 EHAA COc1ccc(-n2cccn2)c(CN2CCC[C@@H]2c2cc(C)on2)c1 97600915 WQMUREDMWDAFIT-LJQANCHMSA-N 338.411 3.514 0 50 EHAA COc1ccc([C@@H]2CN(Cc3ccccc3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95369842 OWDLSLBFQZZDPQ-YTFSRNRJSA-N 348.490 3.757 0 50 EHAA OCc1cccc(C[C@H]2CCN(Cc3cc(F)cc(F)c3F)C2)c1 91915172 BDGATNSYLQUAEB-CQSZACIVSA-N 335.369 3.661 0 50 EHAA CC(=O)c1cc(CN2CCC([C@H](O)c3cccs3)CC2)cs1 244734390 NEQQFTSJGCYTKD-KRWDZBQOSA-N 335.494 3.958 0 50 EHAA CSc1cccc(NC(=O)CC2(n3cccc3)CCOCC2)c1 253403514 HFLLOWZKIXDHPT-UHFFFAOYSA-N 330.453 3.745 0 50 EHAA CN(C)CC(=O)Nc1cccc(NC(=O)CCCC2CCCCC2)c1 823676224 XQWCNBMIHBGIOI-UHFFFAOYSA-N 345.487 3.876 0 50 EHAA CC[C@@H](C)C(=O)Nc1cccc(C(=O)NCc2nc(C)c(C)s2)c1 822559318 CGRAEBUUUSIDHD-LLVKDONJSA-N 345.468 3.675 0 50 EHAA CN1[C@H]2CC[C@@H]1Cc1nc(N)c(C#N)c(-c3ccc4occc4c3)c12 71297244 ODCFCVQSRABBJW-CJNGLKHVSA-N 330.391 3.640 0 50 EHAA COc1ccc2[nH]cc(CC(=O)Nc3cnn([C@H](C)C4CC4)c3)c2c1 186472493 PDPPBARMGMBJDE-GFCCVEGCSA-N 338.411 3.525 0 50 EHAA CC[C@@H](C(=O)O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 191422951 JCBZARCOADITFA-HNNXBMFYSA-N 346.254 3.838 0 50 EHAA CCC[C@@]1(COC)CCCN1Cc1nc(Cc2ccccc2C)no1 194945807 MSNVXGFDZXBOGH-FQEVSTJZSA-N 343.471 3.750 0 50 EHAA Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)o1 678614903 JZXWQLIKRRDMJY-QGZVFWFLSA-N 344.436 3.985 0 50 EHAA CC(C)CN1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 11667847 KRVFMECDRKDYJW-GOSISDBHSA-N 339.439 3.933 0 50 EHAA Cc1ccccc1N1CCN([C@@H]2CCCN(C3CCCC3)C2)CC1 19635586 KGZNAOHDVRKGAE-HXUWFJFHSA-N 327.516 3.524 0 50 EHAA O=C(c1ccc(F)cc1)N1CCN(Cc2ccc3ccccc3c2)CC1 19773646 CGOKOYCCUVAISN-UHFFFAOYSA-N 348.421 3.937 0 50 EHAA O=c1[nH]c2c(s1)[C@@H](c1ccc(O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 169687566 INQVDHLYPDIHJN-GOCOPAARSA-N 331.462 3.794 0 50 EHAA Cc1cccc(C2(C(=O)N3CCC(c4ccn[nH]4)CC3)CCCC2)c1 124981448 QXZWGVBZVQMFHV-UHFFFAOYSA-N 337.467 3.936 0 50 EHAA CC[C@@H]1CCC[C@@H](NC(=O)c2sc(-c3ncccn3)nc2C)C1 128977838 ABXNEDVDEFXJPM-CHWSQXEVSA-N 330.457 3.607 0 50 EHAA C[C@H](C(=O)N1CCC(Cc2occc2C(=O)O)CC1)c1ccccc1 374091740 BEINBJRRGSASLB-AWEZNQCLSA-N 341.407 3.563 0 50 EHAA C[C@@]1(C(F)(F)F)CCN(C(=O)c2cccc(C(F)(F)F)n2)C1 874475969 VJROHLIRISHJBL-LLVKDONJSA-N 326.240 3.515 0 50 EHAA CC(C)c1ccc(-c2csc(NC(=O)Cc3cnn(C)c3)n2)cc1 1875252529 QGOAWDNCVSHUMW-UHFFFAOYSA-N 340.452 3.848 0 50 EHAA Cc1nnc(-c2ccccc2C(=O)N(C)[C@@H]2CCc3ccccc3C2)o1 889209308 HMLCRQUVBWFOAN-QGZVFWFLSA-N 347.418 3.675 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)cc1 8318382 SQZDIXJWYCNESW-UHFFFAOYSA-N 344.205 3.697 0 50 EHAA CCOC(=O)c1cc(C(=O)c2ccccc2)n2ncc3ccccc3c12 390068 UBWPJPQNRHXTNO-UHFFFAOYSA-N 344.370 3.895 0 50 EHAA Cc1ccccc1NC(=O)COc1ccc(Br)cc1C=O 463260 GCZNSGKDPXOFBV-UHFFFAOYSA-N 348.196 3.588 0 50 EHAA Cc1cc(NC(=O)c2ccco2)c(C)cc1I 557441 CBRCLPFDAZJNMK-UHFFFAOYSA-N 341.148 3.753 0 50 EHAA COc1ccccc1C(=O)Nc1nn(C)c2nc3c(C)cccc3cc12 1246055 PKUKZCURYYYECP-UHFFFAOYSA-N 346.390 3.691 0 50 EHAA O=C(OCc1cn(-c2ccccc2)nn1)c1ccc(Cl)cc1Cl 1388008 RXNGTZSOIAAEDI-UHFFFAOYSA-N 348.189 3.931 0 50 EHAA Cc1ccc(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)cc1 2795566 WOVOLHOVSBWFHV-UHFFFAOYSA-N 326.787 3.541 0 50 EHAA CCn1cc(NC(=O)c2cccc(C)c2)c(C(=O)Nc2ccccc2)n1 2800718 MUHQKWQWPNAKMX-UHFFFAOYSA-N 348.406 3.716 0 50 EHAA O=C(CCSc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 3289544 DHDNWWBHVIXHOO-UHFFFAOYSA-N 344.455 3.657 0 50 EHAA CC1=CC[C@H]2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)[C@H]2C1 4698243 ADRMBVOXEALUIY-JCNKGUOZSA-N 327.468 3.934 0 50 EHAA CCOc1cccc2cc(C(=O)NC3CCCCCC3)c(=N)oc12 6950480 OCMYIBPNNYUBCK-UHFFFAOYSA-N 328.412 3.764 0 50 EHAA CCOc1ccc(Br)cc1C(=O)Nc1nccs1 8723156 OTZFGJRNBZFFJA-UHFFFAOYSA-N 327.203 3.557 0 50 EHAA COc1cccc(C(=O)N2CCO[C@H](CC3CCCCC3)C2)c1OC 12090653 UBRCJPZDSPBPCE-MRXNPFEDSA-N 347.455 3.515 0 50 EHAA c1cncc([C@@H]2CCCCN2Cc2nc(-c3cccs3)no2)c1 12204647 GSQMPOJXZZVNIT-AWEZNQCLSA-N 326.425 3.920 0 50 EHAA O=c1nc(/C=C/c2ccccc2C(F)(F)F)cc(C(F)(F)F)[nH]1 12375272 ICPGIBOUOUKJRO-AATRIKPKSA-N 334.219 3.978 0 50 EHAA CCOc1ccc([C@@H](C)NC(=S)NCc2ccc(F)cc2)cc1 13752141 BGTNQCWYXQNPGV-CYBMUJFWSA-N 332.444 3.950 0 50 EHAA O=C(/C=C\c1ccco1)Nc1cccc(C(=O)Nc2cccc(O)c2)c1 17166969 ZALUQFHALPZYEQ-KTKRTIGZSA-N 348.358 3.889 0 50 EHAA c1cc(C23CC4CC(CC(C4)C2)C3)ccc1OCCN1CCOCC1 19228017 WBFJDRGYARMPRS-UHFFFAOYSA-N 341.495 3.865 0 50 EHAA COc1ccc2nc(NC(=O)c3csc(C(C)=O)c3)sc2c1 19939788 CDHUYHPEJNSOTQ-UHFFFAOYSA-N 332.406 3.821 0 50 EHAA Cc1nonc1[C@H]1CCCN1Cc1nc(-c2ccsc2)oc1C 20256070 XDDYQUUGOKKZMH-CQSZACIVSA-N 330.413 3.740 0 50 EHAA CCc1cc([C@H]2CCCN2S(=O)(=O)c2cc(C)c(C)cc2C)on1 33086977 AKYOYIWITINZIC-MRXNPFEDSA-N 348.468 3.688 0 50 EHAA C=C[C@@](C)(CO)C[C@@H](OCOC)[C@@]1(C)C2=C(CCC2=O)CC[C@@H]1C 43762547 BFZGQDFVOSRBKZ-GVXRKXQCSA-N 336.472 3.646 0 50 EHAA O=C(CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 52537460 IELISHYYIJUUCX-UHFFFAOYSA-N 328.843 3.735 0 50 EHAA O=C(c1nccs1)c1cccnc1N1C[C@H]2C3CCC(CC3)[C@H]2C1 72152792 HQSKTXBHAJVRDF-ZVCZJPQMSA-N 339.464 3.642 0 50 EHAA c1ccc(-c2cc([C@@H]3c4nc[nH]c4CCN3Cc3ccco3)on2)cc1 72479363 ZFWKNXDGXPSQHB-HXUWFJFHSA-N 346.390 3.805 0 50 EHAA CC(C)=CCC/C(C)=C/CN1CC(=O)N(C)c2ccccc2C1=O 95525968 SQRVUALEKBLFEJ-FOWTUZBSSA-N 326.440 3.798 0 50 EHAA Cc1ccc(C(C)C)cc1OCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 113890113 DNXWUXMEAXPGCF-GOSISDBHSA-N 341.455 3.974 0 50 EHAA Cc1cc(Cl)ncc1NC(=O)c1cc(C)n(-c2ccccc2)n1 135906984 BDWICEGZWXFRDD-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA O=C(NCc1ccco1)c1cccc(CNC[C@H]2C[C@H]3C=C[C@H]2C3)c1 155544546 KKKWGJGNPNYKDJ-VDZJLULYSA-N 336.435 3.511 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1ccc(O)cc1 170593645 MKMZOOFVMMHBMO-KRWDZBQOSA-N 342.443 3.559 0 50 EHAA C[C@@H]1CCC[C@H](CC(=O)NCC2(N3CCSCC3)CCCC2)C1 170608313 RKPTXYMUJQEMHJ-SJORKVTESA-N 338.561 3.681 0 50 EHAA CO[C@@H](C)c1noc(CN2CCc3cc(-c4ccccc4)oc3C2)n1 177722076 NSLDMLMAONOUMV-ZDUSSCGKSA-N 339.395 3.595 0 50 EHAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cccn1C1CC1 180731757 QDKZMKFKXRJSBO-KRWDZBQOSA-N 326.396 3.633 0 50 EHAA CCCc1noc(CCCC(=O)N2CC[C@H](C)c3cccc(O)c32)n1 186338575 KYNFLAVDLMUPKF-ZDUSSCGKSA-N 343.427 3.591 0 50 EHAA Nc1cc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)ccn1 191474076 ZMVFBVWTHWNZMN-HNNXBMFYSA-N 338.238 3.544 0 50 EHAA CCCn1cnnc1CN(C)Cc1[nH]c2ccc(Cl)cc2c1C 215685145 DEMJTOSHBYNXMQ-UHFFFAOYSA-N 331.851 3.763 0 50 EHAA Cc1cc(C)n(CCCN(C)Cc2cc(CN3CCCC3)cs2)n1 216353106 MYKSFQQTPXLLPH-UHFFFAOYSA-N 346.544 3.679 0 50 EHAA Cc1cccc(-c2ccccc2C(=O)NCCc2csc(N)n2)c1 220269139 OZCKOLPTIYDPFD-UHFFFAOYSA-N 337.448 3.673 0 50 EHAA C[C@@H](Cc1ccccc1Br)NC(=O)c1conc1C1CC1 225562307 ZACKOSPESDSAHF-JTQLQIEISA-N 349.228 3.676 0 50 EHAA O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 241738514 QYDNSIZCDWHQPW-ZAUBIYILSA-N 345.870 3.824 0 50 EHAA Cc1nscc1C(=O)Nc1nnc(C2(c3ccccc3)CC2)s1 252485360 GSEIZIJZPCZCDO-UHFFFAOYSA-N 342.449 3.635 0 50 EHAA CC(=O)Nc1cc(NC(=O)c2nc3cccnc3s2)ccc1Cl 253392164 VYCOVTJXDISOEU-UHFFFAOYSA-N 346.799 3.555 0 50 EHAA CN(CCN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253531173 NDAWUPLIPPNPGL-CGJBRMOZSA-N 348.575 3.649 0 50 EHAA biogenic Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccc(F)c2)c1 253599717 RUOXDPSLHCRCLD-FHWLQOOXSA-N 341.430 3.515 0 50 EHAA C[C@]1(CCc2ccccc2)CCN(C(=O)CC2C[C@@H]3CC[C@H](C2)N3)C1 262622802 HEVPWXSOXJVNAJ-GFSYIJCISA-N 340.511 3.779 0 50 EHAA CCC[C@]1(CO)CCN(C(=O)c2cc(C)c(OC(F)F)c(C)c2)C1 290756174 VASXMBVKNYUTHL-SFHVURJKSA-N 341.398 3.530 0 50 EHAA CN(C)Cc1cc(NC(=O)c2cccnc2C2CC2)ccc1Cl 390834138 SQYBXAQANWGQPL-UHFFFAOYSA-N 329.831 3.926 0 50 EHAA CCc1nc2c(s1)[C@H](N(C)C(=O)c1cnn3ccccc13)CCC2 408513172 ITACHDRNNXNWIZ-OAHLLOKOSA-N 340.452 3.503 0 50 EHAA CCc1ccc2occ(C(=O)Nc3ccc(CCO)cc3OC)c2c1 408517833 WQLRPFPNACGTQE-UHFFFAOYSA-N 339.391 3.791 0 50 EHAA C[C@H](CC(=O)N(C)c1cccc(OC(F)(F)F)c1)C1CCNCC1 430099920 YWBZGLSUIAUUKD-GFCCVEGCSA-N 344.377 3.574 0 50 EHAA O=C(O)[C@@H](c1ccccc1)N1CCC(c2ccc3cccnc3n2)CC1 656191356 KJLWDBZVUBRDHM-LJQANCHMSA-N 347.418 3.635 0 50 EHAA CCc1nocc1CN(C)[C@H](C)c1nnc(-c2cccc(C)c2)o1 815171163 NZQSYFLRCGICPU-CYBMUJFWSA-N 326.400 3.788 0 50 EHAA COc1cccc(C)c1C(=O)NCc1ccc(CN2CCCC2)cc1 824795707 QWPFYAQCLBUKPA-UHFFFAOYSA-N 338.451 3.529 0 50 EHAA CC(C)[C@H]1C[C@@H](CC(=O)NCc2ccc(-c3cnco3)cc2)CCO1 827807390 IVNGTHQBKFXZNP-FUHWJXTLSA-N 342.439 3.799 0 50 EHAA C[C@@H](CCc1cccnc1)NC[C@@H]1CCCc2ccc(C(=O)O)cc21 901883593 YZOYTCYRDAATJI-KXBFYZLASA-N 338.451 3.811 0 50 EHAA O=C(Nc1cnn(C2CCC2)c1)N1CCc2sc(Cl)cc2C1 934304864 FIDPYPAFLRBDEM-UHFFFAOYSA-N 336.848 3.913 0 50 EHAA CCc1noc(C)c1C(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529159165 PQOKRGNTNSGZOK-ZWKOTPCHSA-N 340.423 3.538 0 50 EHAA CCCCOc1ccc([C@@H](C)NC(=O)C[C@H]2CCC(=O)C2)cc1OC 1775992802 VKEODZUTHWPGRO-CABCVRRESA-N 347.455 3.811 0 50 EHAA COc1cccc2ccc(-c3nccn3CC[C@H]3CCCOC3)nc12 1857682478 QNLXOLDSJBXIGM-OAHLLOKOSA-N 337.423 3.924 0 50 EHAA O=C(Nc1ccccc1)Nc1cccc(OC[C@H]2C[N@]2CC2CC2)c1 1875385659 YFFOBFLPRNTFHV-JPYJTQIMSA-N 337.423 3.804 0 50 EHAA C[S@@](=O)(=NC(=O)/C=C/C1CCCC1)c1cccc2cccnc12 2325803647 SDAQYMIDXHTAMP-RGPPVUSESA-N 328.437 3.965 0 50 EHAA O=C(Nc1cccc2c1OCO2)c1cncc2c(Cl)cccc12 2325855352 UASZMDRGEYTKAK-UHFFFAOYSA-N 326.739 3.869 0 50 EHAA CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2nccc3ncccc23)cc1 2356153079 QGDPHQVRNBENNO-KRWDZBQOSA-N 347.418 3.548 0 50 EHAA COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2ccccc2)c1 318233 FCTGQLXRYKYFPD-ZDUSSCGKSA-N 329.421 3.901 0 50 EHAA Cc1ccc(OCC(=O)N(C)c2ccccc2)c(Br)c1 460937 ANJSUODBPQGHOV-UHFFFAOYSA-N 334.213 3.799 0 50 EHAA O=C(CCC(=O)N1CCCc2ccccc21)N1CCCc2ccccc21 492297 LGSDRZVXXGYGFS-UHFFFAOYSA-N 348.446 3.725 0 50 EHAA Cc1ccccc1-c1cc(C(=O)NCCN(C)C)c2ccccc2n1 527689 ZYQVNUUJPFNXPI-UHFFFAOYSA-N 333.435 3.502 0 50 EHAA CSc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 613204 BQQKQEXNSYNVAW-CYBMUJFWSA-N 327.405 3.654 0 50 EHAA O=C(Oc1ccc2oc(-c3ccco3)cc(=O)c2c1)c1ccncc1 1978182 HQOYOLJEVIDYPB-UHFFFAOYSA-N 333.299 3.667 0 50 EHAA Cc1ccc(C)c(OCCn2cnc3ccccc3c2=O)c1Cl 4869178 KGOFWJYFLMJARA-UHFFFAOYSA-N 328.799 3.746 0 50 EHAA COc1cc2c(cc1OC)CN(C1C3CC4CC(C3)CC1C4)CC2 4989399 UKNSNGCGGQFVKN-UHFFFAOYSA-N 327.468 3.887 0 50 EHAA O=C(Nc1ccccc1OCCOc1ccccc1)c1ccncc1 9880136 ABWGRKFDCLRFQC-UHFFFAOYSA-N 334.375 3.792 0 50 EHAA c1cc(CN(Cc2ccsc2)C[C@H]2CCCO2)c2c(c1)OCO2 55308138 ITHJPDOFXAQDTG-MRXNPFEDSA-N 331.437 3.658 0 50 EHAA CCOC(=O)[C@@H]1CCCN([C@H](C)Cc2cccc(C(F)(F)F)c2)C1 104834568 GEVHASPEKHFKMQ-UKRRQHHQSA-N 343.389 3.912 0 50 EHAA CCCN(C)C(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 67872866 JZDWXMMMZIVZIC-UHFFFAOYSA-N 342.317 3.754 0 50 EHAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)C(C)C)CCO2 67804316 YTFFCNNWTQPIIL-UHFFFAOYSA-N 325.408 3.745 0 50 EHAA OCCCn1cnc(-c2ccccc2)c1-c1ccc(O)c(Cl)c1 65386593 SBHZWQBHXOKMCW-UHFFFAOYSA-N 328.799 3.959 0 50 EHAA Cc1cc(N2CCN(c3ccccn3)CC2)nc2cc(Cl)ccc12 23550124 QKODSWJHLBBEBW-UHFFFAOYSA-N 338.842 3.918 0 50 EHAA COc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc2c1O[C@@H](C)C2 229644745 VKBMNXARLWJINM-KKUMJFAQSA-N 329.440 3.671 0 50 EHAA 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338.245 3.874 0 50 EHAA Cc1ccc(N[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)cc1 859087 HPCQMYRPVJZNTR-RTBURBONSA-N 344.480 3.697 0 50 EHAA O=C1CNC(=O)N1Cc1nc(-c2ccc(-c3ccccc3)cc2)cs1 2325722019 HYPIDVBRGVCJCK-UHFFFAOYSA-N 349.415 3.529 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 245907651 VBPUVGYYWFOSFR-DUXSXAKTSA-N 341.455 3.557 0 50 EHAA Cc1ccc(NC(=O)Cc2noc(-c3ccccc3F)n2)cc1C 325084 XXDQGNVJRYWLOE-UHFFFAOYSA-N 325.343 3.674 0 50 EHAA COC(=O)c1cccc(NC(=O)CCCOc2ccc(C)cc2)c1 1773348 QFIACMODZBEOMS-UHFFFAOYSA-N 327.380 3.579 0 50 EHAA CCCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCC)cc1 2832501 AGKQLEKJQSEICK-UHFFFAOYSA-N 336.391 3.515 0 50 EHAA Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc1F 3602617 PHTLURMBHFKLRT-UHFFFAOYSA-N 343.383 3.915 0 50 EHAA CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@@H](c2cccc(F)c2)NC(=O)N1 4065326 VLLWMLBBFICXTL-RGYTYGDFSA-N 346.402 3.576 0 50 EHAA O=C(Cc1cccc2ccccc12)NCc1nc(-c2ccccc2)no1 6703122 NKOBQLJEFKRRTK-UHFFFAOYSA-N 343.386 3.749 0 50 EHAA 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328.412 3.515 0 50 EHAA Cc1noc([C@H](C)S(=O)(=O)C2CCC(c3ccccc3)CC2)n1 871635550 GBLNQDBGNGKUIU-JQRITLKVSA-N 334.441 3.580 0 50 EHAA Cc1cc(N2CCC[C@@H](CCC(=O)O)C2)nc(-c2cccs2)n1 871867830 TURZTJSUWSYTLA-ZDUSSCGKSA-N 331.441 3.595 0 50 EHAA O=C(c1cnc2sccn12)N1CCC[C@H](c2ccc(F)c(F)c2)C1 1875278651 RIVSFGRBHWMTST-LBPRGKRZSA-N 347.390 3.694 0 50 EHAA C[C@H]1CCN(C(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)C1 1875272846 AYWCFTADWFIJBF-VIFPVBQESA-N 340.301 3.686 0 50 EHAA Cc1ccsc1-c1nc(-c2cn([C@@H]3CCC[C@H]3O)nn2)cs1 887389339 RLVAZUAXIOAHKL-CHWSQXEVSA-N 332.454 3.524 0 50 EHAA Cc1nn(C)cc1[C@H]1CCCN1c1nnc(-c2cccc(Cl)c2)o1 892909745 NKUIACWGQVPOML-OAHLLOKOSA-N 343.818 3.773 0 50 EHAA Cc1ccccc1C[C@@H](CO)CNCc1ccc(Br)cc1 2325720196 SDWPOOLAYOLPOL-MRXNPFEDSA-N 348.284 3.698 0 50 EHAA Cc1ccccc1C[C@@H](CO)CN[C@@H](CC(C)C)c1ccncc1 2325754830 XENUBSPVMZNUBO-NQIIRXRSSA-N 326.484 3.918 0 50 EHAA CN(Cc1nc(-c2cccs2)no1)C[C@@H]1CCOC2(CCC2)C1 2325801464 JYDLNFSUGOKAIU-CYBMUJFWSA-N 333.457 3.579 0 50 EHAA CC1(C)CCN(C(=O)c2cnc(N)c(Cl)c2)C[C@@H]1c1ccccc1 2325818775 YLXCZDCPLUMAAH-OAHLLOKOSA-N 343.858 3.973 0 50 EHAA C[C@H](CNc1ncnc2c(-c3ccccc3)nsc12)c1ncc[nH]1 2325860772 TZFXSSDRNHREPW-LLVKDONJSA-N 336.424 3.692 0 50 EHAA CC1(C)Cc2nc3sc4c(N5CCCC5)ncnc4c3cc2CO1 116880 CKLOFKYQNAUVPE-UHFFFAOYSA-N 340.452 3.691 0 50 EHAA CCC(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2 130324 BRUXSEQKIOEMHC-UHFFFAOYSA-N 334.485 3.992 0 50 EHAA Cc1cc2c(=O)n(Cc3ccc(Br)cc3)cnc2s1 151063 FUKUVZJOFHBLAN-UHFFFAOYSA-N 335.226 3.577 0 50 EHAA COc1ccc(OCc2cccc(C(=O)Nc3cc(C)on3)c2)cc1 374298 QQAVADRQQYEFOH-UHFFFAOYSA-N 338.363 3.823 0 50 EHAA COC(=O)c1ccc(N2Cc3ccc(Br)cc3C2)cc1 759172 SSLTVZMXCOCIAJ-UHFFFAOYSA-N 332.197 3.756 0 50 EHAA COCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 2439319 XCOGHTPVACXPCH-UHFFFAOYSA-N 330.453 3.777 0 50 EHAA CCC(C)(C)c1ccc(OCCOCCn2cncn2)c(Cl)c1 2845162 MKEQHLRJXKJURA-UHFFFAOYSA-N 337.851 3.715 0 50 EHAA O=c1c2ccccc2ncn1CCCCOc1ccccc1Cl 2862834 WFWNQYKARQXIJM-UHFFFAOYSA-N 328.799 3.909 0 50 EHAA COc1cccc(OC)c1OCCOc1ccccc1OC(C)C 4702006 ZHEGJJBIWUGAFU-UHFFFAOYSA-N 332.396 3.949 0 50 EHAA aggregator COc1ccc(C(=O)Nc2cc(C)nn2Cc2cccc(C)c2)cc1 4721589 BSNJVKKUKVBOMB-UHFFFAOYSA-N 335.407 3.809 0 50 EHAA C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccco2)cc1 4841488 FZZSXFRXUSFYSQ-CYBMUJFWSA-N 343.452 3.785 0 50 EHAA CC/C=C\CCOC(=O)c1ccccc1OC(=O)c1cccnc1 5102281 AKOBYNNFWPATDJ-ARJAWSKDSA-N 325.364 3.814 0 50 EHAA Cc1cccc(-c2noc(CN(C)C(=O)c3cc(C)ccc3C)n2)c1 7759975 JEAMGDOCVPHVHS-UHFFFAOYSA-N 335.407 3.934 0 50 EHAA COc1ccc(F)c(-c2nc(CN(C)[C@H](C)c3ccon3)c(C)o2)c1 11842987 RCYOGDVVUDKWCX-LLVKDONJSA-N 345.374 3.979 0 50 EHAA COCC[C@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)no1 12588286 GWESYNIWBKCHQE-OAHLLOKOSA-N 335.835 3.781 0 50 EHAA Brc1ccccc1CN1CCN(Cc2ccccc2)CC1 19536601 ACKZKNJQOVGIOC-UHFFFAOYSA-N 345.284 3.767 0 50 EHAA CC(C)[C@@H](C)n1ncc2[nH]c(-c3ccc(OCCN(C)C)cc3)nc21 19790936 FPXPNPHSVKHZCM-CQSZACIVSA-N 341.459 3.584 0 50 EHAA C[C@@H](Cc1cccnc1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 32577793 IEDUBZLQTRUNES-OLZOCXBDSA-N 339.464 3.782 0 50 EHAA C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCCO 71770708 NPQFPAKPTCMKGN-YRCTWBNTSA-N 348.527 3.814 0 50 EHAA COc1ccc(Oc2cccc(CN3C[C@@H]4CCN(C)[C@@H]4C3)c2)cc1 77318996 QZIQDTXJIRTDBH-LAUBAEHRSA-N 338.451 3.623 0 50 EHAA O=C(NC1c2ccccc2-c2ccccc21)c1nc2ccccn2c1F 91859250 DEDWKDFYIZVSSG-UHFFFAOYSA-N 343.361 3.973 0 50 EHAA C[C@H]1CCCN(c2ccccc2)N1C(=O)COc1ccc(F)cc1F 91943375 ZNNJQOWULHZYBS-AWEZNQCLSA-N 346.377 3.776 0 50 EHAA CCc1nn(C)c(Cl)c1CN1CCC[C@H]1c1ccccc1OC 93008105 MQKZEHWHRSZPEQ-INIZCTEOSA-N 333.863 3.982 0 50 EHAA Cc1nc(N2CCC(N(C)Cc3ccoc3)CC2)c2ccsc2n1 95508000 CVMKACGGUOWPQN-UHFFFAOYSA-N 342.468 3.694 0 50 EHAA Cc1ccc2nccc(N3CCN(Cc4cccc(F)c4)C(=O)C3)c2c1 95526889 JFHXLBLLUIVWDE-UHFFFAOYSA-N 349.409 3.531 0 50 EHAA O=C(O)c1ccc(C(=O)N(Cc2cccnc2)C2CCCCC2)s1 97492444 VNIORHHLKDHYRK-UHFFFAOYSA-N 344.436 3.816 0 50 EHAA Cc1c(C(=O)N2CCO[C@H](c3ccsc3)C2)cnn1C1CCCC1 124053593 DTXUFFCQTVKNSW-KRWDZBQOSA-N 345.468 3.582 0 50 EHAA O=C(Nc1ccnn1Cc1cccc2ccccc12)c1cccnc1 129887123 JPKOFOSNSSQDEH-UHFFFAOYSA-N 328.375 3.732 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N1Cc2ccccc2N(C)C[C@@H]1C 130124974 BFAWCVNLWKOEHC-LBPRGKRZSA-N 340.427 3.733 0 50 EHAA CCNC(=O)c1cccc(CN[C@@H](C)[C@@H](C)c2ccc(OC)cc2)c1 170669711 FLINBAKRUVPXLE-CVEARBPZSA-N 340.467 3.727 0 50 EHAA C=Cc1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cc1 185284289 NBUBLZHGFLYBBY-UHFFFAOYSA-N 335.382 3.627 0 50 EHAA CC1(C)CCCC[C@@H]1CC(=O)NCC1CCN(CC(F)(F)F)CC1 189259793 VONLRJLGYZMRFK-OAHLLOKOSA-N 348.453 3.983 0 50 EHAA COCCc1ccccc1NC(=O)N1CCO[C@H](c2ccsc2)C1 189444832 TZEGMKIDVIUYHT-KRWDZBQOSA-N 346.452 3.542 0 50 EHAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C)Cc1ccsc1 253395516 VZAURKNAMXIUPU-RRQGHBQHSA-N 329.465 3.950 0 50 EHAA CN1CC[C@@H](NCc2cccc(C(=O)O)c2)[C@H]1c1ccc(Cl)cc1 263387653 DJKYYEXSBFUQKS-QZTJIDSGSA-N 344.842 3.573 0 50 EHAA O=C(O)c1ccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 263571045 IXCDRNPGVCTFDK-AWEZNQCLSA-N 327.346 3.939 0 50 EHAA Cc1nnc(CNc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)s1 271403348 VTJYMOSUPJWJMO-GFCCVEGCSA-N 344.484 3.639 0 50 EHAA CC(C)n1ncnc1CN1CCC[C@H](c2nc3c(s2)CCCC3)C1 280009918 LREBBLXTRMFKKL-AWEZNQCLSA-N 345.516 3.574 0 50 EHAA CN(C)c1ncccc1C(=O)N1CCC[C@H](c2ccc(Cl)cc2)C1 299791258 CVKODISQSULJLP-HNNXBMFYSA-N 343.858 3.821 0 50 EHAA CC[C@@H]1Cc2ccccc2CN1C(=O)Cc1cc2ccccc2c(O)n1 450671734 WRKINYGYEDJXCY-LJQANCHMSA-N 346.430 3.846 0 50 EHAA CC1(c2nsc(NC(=O)c3ccc(C(F)F)c(F)c3)n2)CC1 827068590 OCMLOMIFQKZPBC-UHFFFAOYSA-N 327.331 3.919 0 50 EHAA Fc1cccc(-n2cccn2)c1CNc1ncnc2sccc12 1472785679 YHRVCVBQCWJCLY-UHFFFAOYSA-N 325.372 3.628 0 50 EHAA O=C(CSc1ccccc1O)N1CCc2ccc(Cl)cc2C1 1875254879 OIVCRNVDCTYCTJ-UHFFFAOYSA-N 333.840 3.723 0 50 EHAA CC(C)(CN=c1nc(-c2ccccc2)c2ccccc2[nH]1)[C@H]1CCCN1 1875326259 ODONKTLWPKZGGT-LJQANCHMSA-N 346.478 3.909 0 50 EHAA Fc1cccc([C@@H]2CN(Cc3cccc(-c4cn[nH]c4)c3)CCO2)c1 1875340729 PDLJKGNREPVXFE-FQEVSTJZSA-N 337.398 3.789 0 50 EHAA Fc1ccc(CN2CCn3c(nc4c3CCCC4)C2)c2occc12 2325775444 LHTNLXTXXYGIFF-UHFFFAOYSA-N 325.387 3.663 0 50 EHAA CCn1nc(C)c(NC(=O)Nc2ncc([C@H]3CCCCO3)s2)c1C 2325782038 QEVOSRVKWMJZGP-GFCCVEGCSA-N 349.460 3.862 0 50 EHAA Oc1ccccc1C[C@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 2325859965 RKHRZMLUSXOROT-MRXNPFEDSA-N 333.435 3.847 0 50 EHAA Cc1cc(=O)oc2c1c(C(F)(F)F)nn2-c1ccc(Cl)cc1 78991 XJYJFIDHCDSDNK-UHFFFAOYSA-N 328.677 3.959 0 50 EHAA CCOC(=O)c1cnc2c(Cl)cc(Br)cc2c1O 94191 MIAXLCWSDBLVNU-UHFFFAOYSA-N 330.565 3.533 0 50 EHAA COC(=O)c1cc(Br)ccc1NC(=O)c1cccs1 140427 HRIKUYLNYDLQHP-UHFFFAOYSA-N 340.198 3.550 0 50 EHAA Cc1ccc(C)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 514789 CTEDMPNULXXLOU-UHFFFAOYSA-N 328.843 3.919 0 50 EHAA O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1 6715500 TYIGFBAYNOAESF-UHFFFAOYSA-N 333.794 3.833 0 50 EHAA CCNC(=O)N(Cc1nc(-c2cccc(C)c2)no1)C1CCCCC1 6742889 JBPKROBSKKVONC-UHFFFAOYSA-N 342.443 3.909 0 50 EHAA O=C(c1cccnc1)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 12111885 KWSHAYOFCZYNHW-AWEZNQCLSA-N 330.378 3.845 0 50 EHAA OCC1(CCOc2ccccc2)CCN(C[C@@H]2CC=CCC2)CC1 12300541 IJRFBQHYRSGCEN-LJQANCHMSA-N 329.484 3.886 0 50 EHAA O=C1[C@@H]2C[C@@H](CN2CCCc2ccccc2)N1c1ccccc1Cl 12338095 DCOIRQLSOMJNHP-LPHOPBHVSA-N 340.854 3.762 0 50 EHAA COc1ccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 13676868 WDSGTIWFAFVLOG-UHFFFAOYSA-N 346.235 3.944 0 50 EHAA Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CCCC2)o1 15860260 BSCRAVPZJDETCD-INIZCTEOSA-N 332.831 3.808 0 50 EHAA Brc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 19536680 DNJUEFWUOICZCD-UHFFFAOYSA-N 345.284 3.767 0 50 EHAA CSCCc1n[nH]c2c1CN(Cc1cc3ccccc3o1)CC2 20779757 WUQKSZPNBCYFAL-UHFFFAOYSA-N 327.453 3.620 0 50 EHAA C[C@@H](Cc1cccnc1)n1cnc2scc(-c3ccco3)c2c1=O 43053803 SHJZGXKUMRQLSC-LBPRGKRZSA-N 337.404 3.917 0 50 EHAA COCC1(C(=O)Nc2ccccc2Sc2c(C)n[nH]c2C)CCC1 55100467 BXCYPMRYHQGKDH-UHFFFAOYSA-N 345.468 3.933 0 50 EHAA CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccnn2[C@@H](C)C(C)C)c1 65373614 UZQCCZNIPBARGF-NSHDSACASA-N 348.834 3.964 0 50 EHAA CCCOCCN1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 71747344 FKHWMZMDFUIZED-FQEVSTJZSA-N 329.440 3.648 0 50 EHAA COc1ccc(CCCNC(=O)c2ccc(-c3cccnc3)nc2)cc1 71771634 GVSGDJBOKBBREE-UHFFFAOYSA-N 347.418 3.515 0 50 EHAA Cc1cccc(C)c1C(=O)N1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 72119541 ZVJXWXZGGVNLRO-SIKLNZKXSA-N 337.463 3.759 0 50 EHAA CC(C)c1nc(NC(C)(C)CN2CCCCCC2)c2cnn(C)c2n1 72145092 VKAVSIRSXJDLCA-UHFFFAOYSA-N 344.507 3.553 0 50 EHAA CCCn1nccc1C(=O)N1CCC[C@@H](Nc2ccc(C)c(C)c2)C1 72163205 ZTGVVHAGJJRBNH-GOSISDBHSA-N 340.471 3.627 0 50 EHAA Cc1nc([C@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)cs1 72410892 SQSTTWRISFPLAA-LBPRGKRZSA-N 332.469 3.646 0 50 EHAA O=C(NCc1ccccc1Cl)c1ccc(Oc2ncccn2)cc1 72437188 ZPUSEEDLQUBBAY-UHFFFAOYSA-N 339.782 3.852 0 50 EHAA O=C1CCC2(CCNCC2)CN1[C@H](Cc1ccccc1)c1ccccc1 91468283 DRUZGHVFICLHQB-OAQYLSRUSA-N 348.490 3.963 0 50 EHAA CCCc1nc(C(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)cs1 91486961 QWJPHQPKUAGZFR-OAHLLOKOSA-N 343.496 3.694 0 50 EHAA O=C(Nc1cccc(OCc2ccccc2)c1)N1CCC[C@H](CO)C1 95498849 BFDHJQKBQGTTOD-KRWDZBQOSA-N 340.423 3.502 0 50 EHAA CC(C)C[C@H](NC(=O)Nc1ccc(Cl)cc1F)c1ncnn1C 96149166 JIZUACPEAQQKHK-ZDUSSCGKSA-N 339.802 3.517 0 50 EHAA c1ccc2c(c1)C[C@@H]1OC(CC3=N[C@@H]4c5ccccc5C[C@H]4O3)=N[C@@H]21 101661566 BDHSVQLSNIGJNC-ALFLXDJESA-N 330.387 3.566 0 50 EHAA O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)[C@@H]1CCCNC1 122242683 OREBVPBORKDBHP-GFCCVEGCSA-N 332.350 3.695 0 50 EHAA O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCCO[C@@H]2CCC[C@H]21 169988214 BMJBLAFKXVNAQQ-WOJBJXKFSA-N 338.451 3.784 0 50 EHAA Cc1nc(C(=O)N[C@@H](c2ccccc2)c2nccs2)c(C)s1 178527274 XPBWPIZJTLXRSA-AWEZNQCLSA-N 329.450 3.736 0 50 EHAA C[S@](=O)Cc1ccccc1NC(=O)NCc1cccc(Cl)c1 184364950 CRQKCNPZDXMSGA-QFIPXVFZSA-N 336.844 3.540 0 50 EHAA COC(=O)CC1(CC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)CCCC1 189642260 VANZDBZLIUJJPT-WBVHZDCISA-N 344.455 3.505 0 50 EHAA FC(F)[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc23)CCO1 193581367 WRXPYGXXCPCKMM-AWEZNQCLSA-N 347.390 3.829 0 50 EHAA Cc1cc(NC(=O)c2coc(C3CCC3)n2)n(Cc2ccccc2)n1 193954114 SCUDPFHXIIPDKA-UHFFFAOYSA-N 336.395 3.748 0 50 EHAA O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2ccncn2)C1 215871835 OCKDFRLXDYUAJW-ZDUSSCGKSA-N 335.329 3.515 0 50 EHAA CC[C@H](C)c1ccc(S(=O)(=O)Nc2nccn2CC(C)C)cc1 225529050 NXPPWUGPMFOXSH-AWEZNQCLSA-N 335.473 3.853 0 50 EHAA C[C@H](N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)N(C)Cc1cccc(F)c1 248110065 JYMASZPBWQIMJG-SARNLOFESA-N 332.463 3.587 0 50 EHAA Cc1nc(CC(=O)N[C@@H](CC(C)(C)C)c2cccnc2)c(C)s1 252482270 DBXNZQRKPVFTOU-INIZCTEOSA-N 331.485 3.991 0 50 EHAA Cc1cccc2[nH]cc(CC(=O)Nc3cc(CCC(C)C)nn3C)c12 252508673 XQRDPOFCHDGUIV-UHFFFAOYSA-N 338.455 3.980 0 50 EHAA Cc1nc(C2CC2)sc1C(=O)Nc1cccc(F)c1-c1nc[nH]n1 253431926 VKWFNTBJYPJLEY-UHFFFAOYSA-N 343.387 3.505 0 50 EHAA Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc2oc(C(=O)O)cc2c1 262753716 OMCLGGXIUVKNQM-VIFPVBQESA-N 342.351 3.868 0 50 EHAA Cc1[nH]nc(C(F)F)c1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 271280636 NUPXHHIQGASXIJ-UHFFFAOYSA-N 337.374 3.737 0 50 EHAA CC[C@@H]1C[C@H](CC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CCO1 281133348 TXQWBPXTTOKHIF-YGSHXTJESA-N 341.373 3.671 0 50 EHAA O=C(CC1CCCC1)NC1CCC(c2nc(CC3CC3)no2)CC1 355969742 BLDAZPONTDCUTD-UHFFFAOYSA-N 331.460 3.745 0 50 EHAA CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CCC2 371252120 SZUSCBWSRDTQQG-DFQSSKMNSA-N 337.467 3.841 0 50 EHAA COc1ccc([C@H](Cc2ccncc2)NCCCC2(O)CCC2)cc1 421864868 YEMGPAKNZXSSOM-FQEVSTJZSA-N 340.467 3.659 0 50 EHAA CC(C)CCNC(=O)N(Cc1ccncc1)Cc1ccc(F)cc1 426511730 RFDPZYBNOBZRDO-UHFFFAOYSA-N 329.419 3.979 0 50 EHAA CN(C(=O)c1cc2n(n1)CCCC2)[C@H](c1ccccc1)C(F)(F)F 449841412 VJXKUOGAVNPSLL-OAHLLOKOSA-N 337.345 3.595 0 50 EHAA Cc1cc(C(=O)N2CC(C(C)(C)C)C2)c(C)n1Cc1ccncc1 457349097 YUZQFRRORPXHRP-UHFFFAOYSA-N 325.456 3.666 0 50 EHAA CCCOc1ccccc1[C@H](C)NC(=O)N1CCC(CCOC)CC1 584891304 VQGNHMXQFVINCH-INIZCTEOSA-N 348.487 3.995 0 50 EHAA Cn1ccnc1[C@@H]1N(C(=O)c2cc(F)cc3ccoc23)CC1(C)C 821105868 SQSLLCCIUGADSQ-HNNXBMFYSA-N 327.359 3.529 0 50 EHAA O=C(NC1CCC(O)(c2ccccc2)CC1)c1ccsc1Cl 832194755 XOYOYUSSEAOWON-UHFFFAOYSA-N 335.856 3.962 0 50 EHAA Cc1ncsc1CCC(=O)Nc1ccnn1[C@H](C)c1ccccc1 1529185431 MURISHBRUZKSSV-CQSZACIVSA-N 340.452 3.829 0 50 EHAA Cc1ccc2cc(C(=O)N3CCC(Cc4ncc[nH]4)CC3)c(C)nc2c1 1775986283 ADMWYSXQOKJTAY-UHFFFAOYSA-N 348.450 3.670 0 50 EHAA CCC[C@]1(CO)CCN(C/C(=C\C(C)C)c2ccccc2)C[C@H]1O 1875247164 YCUQJJKSCZIJFV-QAXVUINPSA-N 331.500 3.571 0 50 EHAA CCOC(=O)[C@@H](CC)SCc1cnc(C)c2c1COC(C)(C)O2 1875280842 BGNVITZRKUWOAL-CQSZACIVSA-N 339.457 3.610 0 50 EHAA O=C(NC[C@@H]1CC[C@@]2(C1)CC2(F)F)c1c[nH]nc1-c1ccccc1 1875298937 SNLUNGSBNIHVMR-SJKOYZFVSA-N 331.366 3.632 0 50 EHAA CN(Cc1cnn(-c2ccccc2F)c1)Cc1cc(C(C)(C)C)n[nH]1 2325738355 YTUQLXVDQZMWIL-UHFFFAOYSA-N 341.434 3.664 0 50 EHAA CO[C@@H](C(=O)O)C1CCN(Cc2ccc(-c3ccc(C)cc3)o2)CC1 2325788222 TUVVPVJJPGRNNC-LJQANCHMSA-N 343.423 3.567 0 50 EHAA COc1ccc(-c2ccnc(N[C@H]3CCOc4ccccc4C3)n2)cc1 2325839734 CPYDCRULJBLKNJ-KRWDZBQOSA-N 347.418 3.958 0 50 EHAA CCOc1ccc(-c2ccc(Cn3cc(CO)cn3)cc2)c(F)c1 2325843658 LOQSTRGSGUYIND-UHFFFAOYSA-N 326.371 3.629 0 50 EHAA COc1cc(C(=O)Nc2ccc(OC(C)C)cc2)cc(OC)c1OC 144400 PEWRDCTZQBOMHN-UHFFFAOYSA-N 345.395 3.752 0 50 EHAA CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1 244282 BRLZZYQHVGZZJP-UHFFFAOYSA-N 340.379 3.622 0 50 EHAA CN(C)C(=O)N[C@H](Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 262500 LWTFRKBEFKRGPQ-VIFPVBQESA-N 345.057 3.719 0 50 EHAA O=C1c2ccccc2N2C(=O)c3ccccc3[C@@H]2N1Cc1ccco1 450480 WFTBGSSAHGXLJD-GOSISDBHSA-N 330.343 3.595 0 50 EHAA biogenic COc1cccc(-c2cc(C(F)(F)F)nc(-n3cc(C)cn3)n2)c1 3909582 AQVJSBGGSLWFGR-UHFFFAOYSA-N 334.301 3.665 0 50 EHAA CCCC(=O)OC[C@H](CSC(=O)CCC)SC(=O)CCC 4529291 NHBKXEKEPDILRR-GFCCVEGCSA-N 334.503 3.818 0 50 EHAA O=C(COc1ccc2c(c1)CCC2)Nc1nc2c(s1)CCCC2 4749123 LTTFOYDNVRSNFY-UHFFFAOYSA-N 328.437 3.528 0 50 EHAA CCCc1nnc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)o1 4943082 UJAPXWWZHFCVLZ-UHFFFAOYSA-N 335.820 3.753 0 50 EHAA COc1cccc(SCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 69701834 SQYLSBPURJHGSA-GFCCVEGCSA-N 341.436 3.541 0 50 EHAA CCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67948021 MZJMSZYRJVQEJH-UHFFFAOYSA-N 331.799 3.844 0 50 EHAA CCc1nc(CN(C)C(=O)c2ccc(-c3ccccc3Cl)o2)no1 65369739 MYNJXNCMUIDZES-UHFFFAOYSA-N 345.786 3.818 0 50 EHAA C/C=C/CN1CC=C(CNC(=O)c2ccccc2C(F)(F)F)CC1 65489256 GYCFLDAGTQCGRN-NSCUHMNNSA-N 338.373 3.643 0 50 EHAA CCC(NC(=O)NCc1ccccc1)(C(F)(F)F)C(F)(F)F 290402 AGAXRHVHYZDJRE-UHFFFAOYSA-N 328.256 3.759 0 50 EHAA biogenic O=C(NC[C@@H]1CCCO1)c1cc(-c2ccc(Cl)cc2Cl)on1 815126 BJJJURJDGNMQLT-JTQLQIEISA-N 341.194 3.557 0 50 EHAA COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C1CCCCC1 38266588 AWPBTRHQEYHZJD-UHFFFAOYSA-N 329.396 3.806 0 50 EHAA CCn1ncc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c1C 71753233 XKXLWNAIWFACGI-QGZVFWFLSA-N 343.446 3.836 0 50 EHAA Cc1ccc(C)c(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)c1 33088835 FWMHHOXGBDECQC-AWEZNQCLSA-N 332.403 3.988 0 50 EHAA CSCc1ccc(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)o1 218824356 HFGYVCUDNZOPPH-MRXNPFEDSA-N 341.436 3.510 0 50 EHAA Cc1ccc([C@H]2CN([C@@H](C)c3noc(-c4ccccc4)n3)CCO2)o1 367060367 BKXVXNRAZLKAGE-WMLDXEAASA-N 339.395 3.773 0 50 EHAA Cc1nc([C@H](C)NC(=O)N2CC(C)(C)OC3(CCCC3)C2)cs1 443128157 DCDDVCHPYDACCF-LBPRGKRZSA-N 337.489 3.646 0 50 EHAA Cc1nc(C(=O)N(C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)c(C)s1 215180005 CEUHWJLCQVPYMB-LLVKDONJSA-N 340.452 3.983 0 50 EHAA CCOc1ccccc1N1CCN(Cc2coc(C(C)C)n2)CC1 216081452 ROKFGXXOBHUIBO-UHFFFAOYSA-N 329.444 3.519 0 50 EHAA N[C@@H]1CCCC[C@H]1NC(=O)c1csc(-c2ccc(Cl)s2)n1 128792091 CEPXAOJBROXYHB-RKDXNWHRSA-N 341.889 3.525 0 50 EHAA CN(Cc1cccc2cnccc12)C(=O)c1ccccc1-c1ncc[nH]1 77385276 WEHKLHYWWBCWCV-UHFFFAOYSA-N 342.402 3.897 0 50 EHAA O=C(CSc1ccncc1)N1CCC(c2ccc(F)c(F)c2)CC1 264236857 MSUPIDDWPOSTST-UHFFFAOYSA-N 348.418 3.858 0 50 EHAA O=C(c1cnn2ccccc12)N1CCCC[C@H]1CCc1ccc(O)cc1 82098071 QJEXZJVDGMYFMG-KRWDZBQOSA-N 349.434 3.667 0 50 EHAA c1cc(Cn2cccn2)cc(-c2nc(-c3ccc4nc[nH]c4c3)no2)c1 95386644 UFUVYVHUCDCCKC-UHFFFAOYSA-N 342.362 3.525 0 50 EHAA C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2[C@H](O)C[C@]2(C)[C@@H]3CC[C@]2(C)O)CC1=O 257358215 SFKLNBOMRUIZOU-CFRSDPQHSA-N 334.500 3.566 0 50 EHAA CCN1CCN(C(=O)Nc2ccc(SCc3ccco3)cc2)CC1 299790743 CGSHLPOMPPEPGB-UHFFFAOYSA-N 345.468 3.741 0 50 EHAA COc1cc(OC)cc([C@@H]2c3nc[nH]c3CCN2CC2CCCC2)c1 67855733 MDDFPZYZRKSTIO-HXUWFJFHSA-N 341.455 3.565 0 50 EHAA CCCOCCN1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 71760316 FIQHFQIEEPQDCD-FQEVSTJZSA-N 336.495 3.785 0 50 EHAA CC(C)Cc1cc(C(=O)N2CCCCC[C@H]2c2cccn2C)[nH]n1 170622616 YXEDZSQLVVWUAM-SFHVURJKSA-N 328.460 3.704 0 50 EHAA C[C@@H](CC(=O)N1C[C@H](C(=O)O)c2ccccc21)c1ccc(F)cc1F 192939685 JBSGCGFUUMQBLT-NHYWBVRUSA-N 345.345 3.673 0 50 EHAA O=C(O)c1oc2ccccc2c1CNC(=O)c1cccc2[nH]ccc12 767139892 GEZGVVNBHRIKEH-UHFFFAOYSA-N 334.331 3.542 0 50 EHAA COc1ccccc1/C=C/CN1CC[C@H](c2sccc2C)[C@@H](O)C1 209947449 FAVMOTJLCCBYIX-KEEVIKFDSA-N 343.492 3.929 0 50 EHAA Cc1cc(C)c2c(N)c(-c3cc(=O)oc4ccc(O)cc34)sc2n1 11865327 NKLKRWKIZVCOLD-UHFFFAOYSA-N 338.388 3.974 0 50 EHAA biogenic O=C(c1ccco1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 15065229 PFFJLKJTEBAJPO-FQEVSTJZSA-N 342.414 3.547 0 50 EHAA Cc1ccc(-n2nnc(C(=O)N[C@@H](C)c3ccc(F)cc3)c2C)cc1 16649684 XYSMDUPDMCDICR-ZDUSSCGKSA-N 338.386 3.514 0 50 EHAA Cc1ccccc1Cn1c(=N)n(C[C@@H](O)c2ccco2)c2ccccc21 19789942 UDLMFXDAJFEHBX-LJQANCHMSA-N 347.418 3.606 0 50 EHAA O=C1C[C@H](Cn2ccnc2-c2cccc(C(F)(F)F)c2)CN1C1CC1 1857679930 AWMZMVOIKDJUMK-GFCCVEGCSA-N 349.356 3.580 0 50 EHAA CC(C)[C@H]1C[C@@H](O)CC2(CCN(c3nccc4ccccc34)CC2)O1 1857728694 MPMNJBADCJMNFU-IEBWSBKVSA-N 340.467 3.770 0 50 EHAA O=C(NCC1CCC1)[C@H]1CCCN(c2nc3cc(Cl)ccc3o2)C1 1857737773 CDBKWNCDUSHZAC-ZDUSSCGKSA-N 347.846 3.614 0 50 EHAA O=C1C[C@@H](c2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2)CN1 1875250839 LNSIHJNTTHHOLX-HXUWFJFHSA-N 348.446 3.583 0 50 EHAA Brc1cnc(N[C@H](c2ccccc2)c2nccs2)nc1 109129421 PGLXTRFZTRMMAB-GFCCVEGCSA-N 347.241 3.897 0 50 EHAA CC[C@@H](NC(=O)Cc1cn2ccsc2n1)C(C)(C)c1ccccc1 120325427 BPFHGVPSYSFBEK-MRXNPFEDSA-N 341.480 3.811 0 50 EHAA O=C1CCCN1c1cccc(CNc2ncnc3c(F)cccc23)c1 252488074 IIWBIKLTMVHWPW-UHFFFAOYSA-N 336.370 3.508 0 50 EHAA CC1(C)CN(C(=O)OCCCF)[C@H]1c1nccn1-c1cccc(F)c1 952894752 QLURAHSEOXSVNQ-HNNXBMFYSA-N 349.381 3.891 0 50 EHAA COc1ccc([C@@H](C)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)cc1C 888078075 MICGDVHCOMVYQC-SIXWZSSISA-N 329.444 3.545 0 50 EHAA COc1ccc(-c2cc(CNC(=O)c3ccccc3Cl)on2)cc1 6668419 OEQGGWOJGWQZMO-UHFFFAOYSA-N 342.782 3.934 0 50 EHAA COc1cccc(-c2noc(N3CCC[C@@H]3c3cccc(C)n3)n2)c1 150944093 XGADNNABKOTZGC-QGZVFWFLSA-N 336.395 3.790 0 50 EHAA CCOC(=O)c1ccc(CNCc2ccc(Br)cc2)cc1 259100 FHSHHCFXYUDHHS-UHFFFAOYSA-N 348.240 3.916 0 50 EHAA Cc1ccccc1NC(=S)NC(=O)c1ccc(Br)cc1 438887 DCMKSSSFMSTAPI-UHFFFAOYSA-N 349.253 3.884 0 50 EHAA CCCn1c([C@H](O)c2cccc(OC)c2OC)nc2ccccc21 503458 RGTUYVNRHZBNCK-QGZVFWFLSA-N 326.396 3.545 0 50 EHAA COc1ccc2c3c(c(=O)oc2c1OCC(=O)C(C)(C)C)CCCC3 1050255 NEJUBIUQWLQSLZ-UHFFFAOYSA-N 344.407 3.674 0 50 EHAA CC(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 1274348 DXSFRBOEOJNTKD-UHFFFAOYSA-N 339.420 3.805 0 50 EHAA C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)C1 2634211 ALBPCHSSLHAJOF-GHMZBOCLSA-N 337.876 3.813 0 50 EHAA Cc1ccc(OCc2nnc(NC(=O)Cc3cccs3)s2)cc1 2846824 LFSZSBVTPNTLIL-UHFFFAOYSA-N 345.449 3.668 0 50 EHAA aggregator Fc1cc(F)cc(NC(=S)Nc2ccc(N3CCOCC3)cc2)c1 4741386 VKPMBQVYLHIKLX-UHFFFAOYSA-N 349.406 3.610 0 50 EHAA Cc1ccc(C[C@H](C(=O)Nc2ccc(F)cc2)[C@H](C)C(=O)O)cc1 4801827 BBRLINWIXHPXMR-GUYCJALGSA-N 329.371 3.652 0 50 EHAA CCOc1cc(/C=C2\[C@@H](O)C3CCN2CC3)cc(Cl)c1OCC 4870189 HDBLETFAKODFPF-OBHPCNEJSA-N 337.847 3.565 0 50 EHAA OCC1CCN([C@H]2CCCN(Cc3cccc4ccccc34)C2)CC1 22851164 PZXDUGYEFRUJOQ-NRFANRHFSA-N 338.495 3.509 0 50 EHAA CN1CCCC[C@@H]1CCC(=O)NCc1scnc1-c1ccccc1 65433574 ROBHAPRGFOOGLI-MRXNPFEDSA-N 343.496 3.691 0 50 EHAA CCC[C@H]1CCN(C(=O)c2coc(COc3ccc(OC)cc3)n2)C1 67833925 IWJYAEAYAOXJMG-AWEZNQCLSA-N 344.411 3.524 0 50 EHAA CN(CCN(C)c1ccccc1)C(=O)c1cnc(-c2ccco2)s1 170972860 XLTNKLCQZMRFMY-UHFFFAOYSA-N 341.436 3.612 0 50 EHAA CN(Cc1cccc2ncccc12)C(=O)c1cccc(-c2ncc[nH]2)c1 77321831 AYSIGCKXYSYREQ-UHFFFAOYSA-N 342.402 3.897 0 50 EHAA CCCn1cc(CNC(=O)c2cccc(-c3ccc(O)cc3)c2)cn1 63833188 UWTJESFVAOQULO-UHFFFAOYSA-N 335.407 3.596 0 50 EHAA O=C(Cc1ccccc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 2508546 JJTYUDUQOXRRFV-UHFFFAOYSA-N 330.598 3.993 0 50 EHAA CN(C(=O)c1cc(N2C[C@H]3CC=CC[C@H]3C2)ccn1)C1CCCCC1 72133152 PHVBDLAVHIDQDK-CALCHBBNSA-N 339.483 3.889 0 50 EHAA O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1cnns1 281950848 JRBBFRULXAAZEZ-KYZUINATSA-N 328.224 3.521 0 50 EHAA O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@@H]1c1ccco1 77541486 OFVGNMDJHRZTSG-OAHLLOKOSA-N 337.379 3.626 0 50 EHAA CC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1 15952130 FHUSTLFVYWJVAY-NSHDSACASA-N 326.352 3.501 0 50 EHAA O=C(Nc1cn[nH]c1)c1ccccc1SCc1cn2ccccc2n1 127729238 ZQWGZYMJUCWNRY-UHFFFAOYSA-N 349.419 3.602 0 50 EHAA Cc1nn(CCO)c(C)c1-n1ccnc1-c1cccc(-c2ccco2)c1 77505344 VWZCPFLFDBMPHC-UHFFFAOYSA-N 348.406 3.605 0 50 EHAA CC(C)C[C@H](NC(=O)c1cccc(-c2ccco2)c1)c1ncnn1C 220491845 LGTSJNHFTJZXFX-INIZCTEOSA-N 338.411 3.592 0 50 EHAA O=C(Cc1ccccc1C(F)(F)F)N[C@@H]1COC2(CCCCC2)C1 426359139 XEMIYJRXFQKNHR-AWEZNQCLSA-N 341.373 3.856 0 50 EHAA CC(C)(C)C(=O)N1CCC(c2nccn2Cc2ccccc2)CC1 82162042 XYMVTHRURZRZEV-UHFFFAOYSA-N 325.456 3.684 0 50 EHAA Cc1ccc(CNC(=O)N(Cc2c(C)nn(C)c2C)C2CC2)cc1C 426511694 OKQKKVTUUCPPJJ-UHFFFAOYSA-N 340.471 3.528 0 50 EHAA O=C(O)COc1ccc(NC(=O)C[C@@H]2C=CCC2)c2ccccc12 237958585 PXSROBISDNANES-CYBMUJFWSA-N 325.364 3.598 0 50 EHAA O=C(O)COc1ccc(NC(=O)C[C@H]2C=CCC2)c2ccccc12 237958449 PXSROBISDNANES-ZDUSSCGKSA-N 325.364 3.598 0 50 EHAA CCC(CC)n1nc(C(=O)NC(C)(C)c2nc(C)cs2)cc1C 179622028 HPGWFBUKYLWVPJ-UHFFFAOYSA-N 334.489 3.983 0 50 EHAA Cc1[nH]c2c(C(=O)N3CCC[C@H](CCC(=O)O)C3)cccc2c1C 237724229 MERUNZJNXFVLAM-CQSZACIVSA-N 328.412 3.502 0 50 EHAA O=C(NCCCSC1CCCCC1)c1cc(-c2ccccn2)n[nH]1 97766234 JCBNBCUOYYQYSQ-UHFFFAOYSA-N 344.484 3.658 0 50 EHAA CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2cn3cccnc3n2)C1 91830827 NYDAJMHZYIRIQM-IBGZPJMESA-N 326.444 3.604 0 50 EHAA CCc1ccccc1NC(=O)CCN(C)CCc1scnc1C 244858424 VKXHWYROTOPAQW-UHFFFAOYSA-N 331.485 3.517 0 50 EHAA Cc1cc(C)n([C@H]2CCN(Cc3cncn3C3CCCCC3)C2)n1 244659712 HHQPTDBEHDWFSC-SFHVURJKSA-N 327.476 3.649 0 50 EHAA CCCN(CCOC)C(=O)c1cccc(-c2cccc(F)c2O)c1 299765542 ACWVYVOKRVTVBT-UHFFFAOYSA-N 331.387 3.697 0 50 EHAA CC[C@@H]1CN(Cc2nc3ccccc3[nH]2)Cc2cc(OC)ccc2O1 299760246 DXBAWFZNKCYVCV-OAHLLOKOSA-N 337.423 3.745 0 50 EHAA Cc1cnccc1CCNC(=O)Nc1ccc(Nc2ccccc2)cn1 1467061608 ZZBOGPKDEXMMOW-UHFFFAOYSA-N 347.422 3.893 0 50 EHAA O=C1CCCCN1Cc1cccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)c1 170085928 SIJWGDQHRAURGN-AEFFLSMTSA-N 341.455 3.605 0 50 EHAA CC(C)[C@@H](c1ccccc1)c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 278087177 OIXXQJGRSOWKKB-KSZLIROESA-N 341.455 3.783 0 50 EHAA Cn1ccnc1[C@@H]1OCC[C@H]1CNc1ccc2nc(C3CC3)oc2c1 667908726 CERXOTYCEZVFIT-SUMWQHHRSA-N 338.411 3.628 0 50 EHAA Cc1csc([C@@H](NC(=O)[C@H]2CCCc3c(O)cccc32)C2CC2)n1 190499258 HBMOBCGYXJIIMH-RDJZCZTQSA-N 342.464 3.845 0 50 EHAA CCCC[C@H]1CN(C(=O)Nc2ccc(OC)cc2)C[C@@H](C2CC2)O1 1616078169 YSJJLPCYKZLRSJ-ROUUACIJSA-N 332.444 3.897 0 50 EHAA COc1ccc(C(=O)Nc2ccccc2Br)c(OC)c1 382303 AQQLHBLFGIRHDH-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA CCc1nn(C)c(NC(=O)c2c(-c3ccccc3)noc2C)c1CC 1506396537 UKNVDXJBOHTHOL-UHFFFAOYSA-N 338.411 3.761 0 50 EHAA O=C(CCCC1CCCCC1)N[C@H]1COC[C@H]1Cc1ccncc1 1529168255 ZAQIVUWVPXSKOK-MOPGFXCFSA-N 330.472 3.506 0 50 EHAA CC(C)c1cnc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)nc1 1704339286 QBRTUEBTSLTMJU-OXQOHEQNSA-N 348.450 3.818 0 50 EHAA O=C(Cn1cnc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 5190779 NQXGYUHXYGETKL-UHFFFAOYSA-N 335.285 3.574 0 50 EHAA COc1ccc([C@@H](C)NC(=O)c2c(F)cccc2Cl)cc1OC 12383680 PGBQYUPUGFXUFC-SNVBAGLBSA-N 337.778 3.987 0 50 EHAA Cc1cc2c(c(-c3ccccn3)c1)O[C@H](CNC(=O)CC(C)(C)C)C2 15002627 OLUZNQOUFFRULW-INIZCTEOSA-N 338.451 3.913 0 50 EHAA COc1ccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)cc1 16579172 NLSIZYIJWXQHHC-UHFFFAOYSA-N 343.770 3.580 0 50 EHAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccnc(C2CC2)c1 390833755 MMQLEARKZYUZDN-UHFFFAOYSA-N 349.434 3.837 0 50 EHAA O=C(NC[C@H]1CCC[C@@H](F)C1)N1C[C@@H]2[C@@H](C[C@H]2c2ccccc2)C1 1875268548 LYVGBGCDFASQIM-BHNDVYRESA-N 330.447 3.960 0 50 EHAA Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[C@H](C)C2)cc1S(N)(=O)=O 2325751003 NSTOPHPCEMKSCZ-TUUVXOQKSA-N 338.517 3.508 0 50 EHAA Cc1cn2cc(-c3cncc(OCC4CCCC4)n3)cc(F)c2n1 2325855358 UJPIJUAWKKWCFX-UHFFFAOYSA-N 326.375 3.808 0 50 EHAA CN(Cc1csc(-c2cc3ccccc3o2)n1)[C@@H]1CCCNC1 2325855972 XGFWGEPMSRONOW-OAHLLOKOSA-N 327.453 3.740 0 50 EHAA O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1 173604 FIINPMOXJPJVOG-UHFFFAOYSA-N 347.443 3.799 0 50 EHAA Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)O)cc3N2)cc1 226870 QAMKCWLSDIAWSU-ZYHUDNBSSA-N 325.290 3.550 0 50 EHAA CNC(=O)Oc1ccc(NC(=O)Nc2cc(Cl)ccc2OC)cc1 401787 LRXYUSCPYJNMPD-UHFFFAOYSA-N 349.774 3.711 0 50 EHAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cccc(C(C)C)c2)C1=O 2356168945 IUAHZGPSPDJMNH-OAQYLSRUSA-N 342.483 3.817 0 50 EHAA CC(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 3612184 OBWKDCWHPOJPML-UHFFFAOYSA-N 330.815 3.718 0 50 EHAA COc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 10301972 ISZVCWFCRPPHSR-UHFFFAOYSA-N 349.305 3.654 0 50 EHAA CC(C)c1ccc(C(=O)N(Cc2ccco2)[C@H](C)C(C)C)c(=O)n1C 55281661 PZWZENMARPZBNK-OAHLLOKOSA-N 344.455 3.789 0 50 EHAA CN1CCN(C(=O)c2cnc(-c3cccs3)s2)c2ccccc21 110477526 KPYIWNOSIXKPGL-UHFFFAOYSA-N 341.461 3.968 0 50 EHAA Cc1nc(N2CCCC2)nc2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 9420147 QHBNETKHGVQGKP-CQSZACIVSA-N 341.842 3.951 0 50 EHAA CC[C@H](C)Oc1ccc(CN(CC)Cc2noc(C)n2)cc1OC 55226250 AUENMRRFKXHBFT-ZDUSSCGKSA-N 333.432 3.586 0 50 EHAA CCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c(O)c2ccccc21 100504393 VGRIIMYAFZDESW-UHFFFAOYSA-N 340.354 3.509 0 50 EHAA O=C([C@H]1CC=CCC1)N1CCc2[nH]nc(-c3ccccc3Cl)c2C1 23399612 BBGZFHHSNCCNFU-ZDUSSCGKSA-N 341.842 3.971 0 50 EHAA CCc1c(C)sc(NC(=S)N2CCC[C@H](C)C2)c1C(=O)OC 17071299 HGOLZIMPQHOXFL-JTQLQIEISA-N 340.514 3.834 0 50 EHAA NC[C@H]1Cc2c(F)ccc(-c3ccc(-c4nc5ccccc5[nH]4)o3)c2O1 67909826 VSMDQVCFULCORY-LLVKDONJSA-N 349.365 3.891 0 50 EHAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2Cl)N1 188025 JNLXAXOXLWSEML-HZPDHXFCSA-N 326.783 3.510 0 50 EHAA biogenic CC(C)[C@@H]1OCC[C@H]1c1nc(-c2ccc(N3CCCCC3)nc2)no1 252500173 SOFTZNNMJPKIBZ-WBVHZDCISA-N 342.443 3.650 0 50 EHAA Cc1cc(C)nc(Cn2ccnc2-c2cccc([C@H](C)N(C)C)c2)n1 71735944 XXZKCLHPGYXHNP-INIZCTEOSA-N 335.455 3.628 0 50 EHAA O=C(Nc1ccccc1O[C@H]1CCOC1)N1CCC2(CCCC2)C1 120424057 SDIXWTBNOLQEFL-HNNXBMFYSA-N 330.428 3.652 0 50 EHAA CC[C@H](Sc1ccccc1)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C 253417819 MAZIMXRLHJJTJY-RYRKJORJSA-N 332.513 3.643 0 50 EHAA CC1(C)CC(=O)c2ccc(OCc3nc(C(C)(C)C)no3)cc2O1 123422968 FZSPLZSMLDZFJU-UHFFFAOYSA-N 330.384 3.690 0 50 EHAA CSC[C@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 72481157 RMXRIVAEXQCZAK-INIZCTEOSA-N 335.513 3.605 0 50 EHAA O=C1CC[C@]2(CCCO2)CCN1Cc1cccc(F)c1C(F)(F)F 72127183 WRSPVDJADXPJQR-MRXNPFEDSA-N 345.336 3.906 0 50 EHAA Cc1cc(F)ccc1CN1CCC2(CC1)CN(CCC(C)C)C(=O)O2 72422892 RHVHFHVTPRRGCF-UHFFFAOYSA-N 348.462 3.967 0 50 EHAA O=C(O)[C@@]1(Cc2cccc(Cl)c2)CCCN(c2nccs2)C1 71439622 RZWONPLADZLIAJ-MRXNPFEDSA-N 336.844 3.710 0 50 EHAA Cc1nnc(N(CCC(C)C)C(=O)[C@@H]2CO[C@@H](C)C2)c2ccccc12 331987203 UGENTOMVEVKJGR-HOCLYGCPSA-N 341.455 3.742 0 50 EHAA CN(Cc1cccc(-n2cccn2)c1)C(=O)CSc1ccccc1 77555850 LMZCLKHSWHCKRR-UHFFFAOYSA-N 337.448 3.623 0 50 EHAA O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1cccs1 17066578 ZAQZUCRFBUMEOY-UHFFFAOYSA-N 325.308 3.707 0 50 EHAA Cc1cc(C(=O)N[C@H](C)Cc2cnccn2)sc1-c1ccccc1 223795714 CWVZWIKYBXNISG-CQSZACIVSA-N 337.448 3.875 0 50 EHAA COc1ccc2[nH]c(CNC(=O)CCc3ccc(F)cc3F)cc2c1 223062706 CLQPIFVOYXUKHN-UHFFFAOYSA-N 344.361 3.704 0 50 EHAA CCCOc1ccccc1[C@H](C)N1CC2(CCNCC2)CCC1=O 91858109 UQRWIFQKKJRJPP-INIZCTEOSA-N 330.472 3.529 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)NCCc1noc(C2CCCC2)n1 91255089 GFPYGIZDGFTYDT-INIZCTEOSA-N 339.439 3.506 0 50 EHAA CCc1cc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)cs1 91876445 MYUBJOXDNYTXER-UHFFFAOYSA-N 332.444 3.802 0 50 EHAA CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)C(=O)NCc1ccccc1 245253600 IYIDVOFMCXKXLD-ISARSNTHSA-N 344.499 3.660 0 50 EHAA CCCCc1ccc(NC(=O)NCc2cn3c(n2)SCC3)cc1 299764334 RQXCLXXGVYLGEG-UHFFFAOYSA-N 330.457 3.653 0 50 EHAA Cc1ccc(-c2cc(C(=O)N(C)CCN(C)C)c3ccccc3n2)cc1 748000012 QVZKEVDQFRPREV-UHFFFAOYSA-N 347.462 3.844 0 50 EHAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)N1C[C@H]4CC=CC[C@H]4C1)(C3)C2 952974929 LLLPZJJPDXSRFF-NITCWVKZSA-N 329.484 3.523 0 50 EHAA Cc1ccc(C[C@H](C)NC(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)s1 270601024 AQELCDXIVGURJW-NOLJZWGESA-N 338.517 3.880 0 50 EHAA Cc1cc(O)ccc1NC(=O)Nc1cccc(N2CCCCC2=O)c1 189745137 ZLARLPZDMGMMSL-UHFFFAOYSA-N 339.395 3.862 0 50 EHAA CC1=C(CCN2C[C@H](O)[C@H](Cc3cc(C)no3)C2)C(C)(C)CCC1 1529106431 PDQVMIXILZSPNM-APWZRJJASA-N 332.488 3.735 0 50 EHAA O=C(O)c1nc(/C=C/c2ccccc2F)sc1Br 241588016 OYZALHSAZLKHLS-UHFFFAOYSA-N 328.162 3.913 0 50 EHAA CC(C)N1C[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)CCC1=O 1772812628 MREMFSKUSVHQPQ-HNNXBMFYSA-N 342.405 3.784 0 50 EHAA CN(Cc1ccccn1)CC1CCN(CCc2cccc(F)c2)CC1 11818631 BWUZBWWRXBQBJQ-UHFFFAOYSA-N 341.474 3.607 0 50 EHAA CCCCN(C)C(=O)c1coc(COc2ccc3ncccc3c2)n1 11937611 AHRVHXIIMFWAQP-UHFFFAOYSA-N 339.395 3.674 0 50 EHAA CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)c1 12404181 HSAGWLYWVXZSDU-CQSZACIVSA-N 326.396 3.668 0 50 EHAA Fc1ccc(Oc2ncccc2CNCc2cccnc2)c(F)c1 15062687 VRAXOMCVARDXGZ-UHFFFAOYSA-N 327.334 3.837 0 50 EHAA O=C([C@@H]1[C@H]2CC[C@@]1(c1ccnn1C1CCC1)C2)N1CCC(F)(F)CC1 1857529541 XJBAOYPZASZQDP-OWQGQXMQSA-N 349.425 3.534 0 50 EHAA Cn1nc(-c2ccccc2)c2c1CCN(CC[C@H]1CC1(F)F)CC2 1875250212 GMYSEAZHDVZUEQ-HNNXBMFYSA-N 331.410 3.533 0 50 EHAA CCC[C@]1(CO)CCN(Cc2ccc(C3CCCC3)s2)C[C@@H]1O 1875250832 KYELUTMIWPNJMI-RBUKOAKNSA-N 337.529 3.751 0 50 EHAA COCc1ccccc1CN[C@@H](C)c1ccc2c(c1)OCCCO2 119564330 PEPJDGSUNABLEY-HNNXBMFYSA-N 327.424 3.845 0 50 EHAA Cc1cc(C)nc(CNc2nncc(-c3cccc4ccccc34)n2)n1 12443236 HVBXPWZKDIISSF-UHFFFAOYSA-N 342.406 3.711 0 50 EHAA O=C(Nc1ccccn1)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 252430616 ASFHTUNFFKMFSE-OJROKELRSA-N 325.239 3.876 0 50 EHAA CC[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)c1c(C)noc1C 252539635 OFJMZGIXUJWLOT-UCLAIMLFSA-N 343.471 3.593 0 50 EHAA C[C@H](CNC(=O)c1ccncc1Br)Cc1cccs1 156596283 VBBCPIARHKYPED-JTQLQIEISA-N 339.258 3.514 0 50 EHAA Cc1ccnc(NC(=O)Cc2cccc(C(F)(F)F)n2)c1C1CC1 829886850 SYEHPEHYUZDAIC-UHFFFAOYSA-N 335.329 3.862 0 50 EHAA Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[C@@H]32)c2cc(Br)ccc2n1 1875264833 ZHMAWCFTAFEUTJ-ITDIGPHOSA-N 345.240 3.834 0 50 EHAA O=C(CSc1nc2ccccc2[nH]1)Nc1nc2ccccc2s1 51752 DETOLMLOYLGMIB-UHFFFAOYSA-N 340.433 3.903 0 50 EHAA Cc1csc(CCN(C)C(=O)c2cccc(-c3cccs3)n2)n1 2325875434 RPAFJPLPXNQXNQ-UHFFFAOYSA-N 343.477 3.890 0 50 EHAA Cc1sc2ncnc(SCC(=O)NC3CCCCC3)c2c1C 145969 GRIUAVDCLVULOM-UHFFFAOYSA-N 335.498 3.849 0 50 EHAA Cc1cc(NC[C@H]2CCCO2)n2ncc(-c3ccc(Cl)cc3)c2n1 2353947 OTWBEJZSLGHWCR-OAHLLOKOSA-N 342.830 3.949 0 50 EHAA Cc1ccccc1-c1ncc(CN2[C@H]3CCC[C@@H]2C[C@H](O)C3)s1 2356168326 YUAJNMNOGIENIS-ZSHCYNCHSA-N 328.481 3.996 0 50 EHAA O=C(COc1nc2ccccc2s1)N1N=CC[C@@H]1c1ccccc1 4520105 KHCZLIMMFRSEQA-OAHLLOKOSA-N 337.404 3.635 0 50 EHAA O=C(Nc1ccc(N2C(=O)CCC2=O)cc1Cl)C1CCCCC1 4811016 JQJPMMSXGQATHP-UHFFFAOYSA-N 334.803 3.512 0 50 EHAA CC(C)(Oc1ccc(Br)cc1)C(=O)NCc1ccco1 6701983 CTHFGOMUZFGFAH-UHFFFAOYSA-N 338.201 3.516 0 50 EHAA C[C@H](NC(=O)c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 6747500 ZHTJUCZCWMSXQC-NSHDSACASA-N 327.771 3.881 0 50 EHAA O=C(NCCc1c[nH]cn1)c1ccccc1Cc1ccc(Cl)cc1 55165713 DNCTURFSSZGYMZ-UHFFFAOYSA-N 339.826 3.626 0 50 EHAA Cc1ccoc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225406809 DZADWISTJFPHGM-SMDDNHRTSA-N 339.313 3.555 0 50 EHAA CN(C(=O)CCn1cnc2ccccc21)[C@@H]1CCCc2ccccc21 29258428 VDLUQPWPGCECAE-LJQANCHMSA-N 333.435 3.962 0 50 EHAA CN(Cc1cc2ccccc2[nH]c1=O)Cc1ccnc2ccccc12 67783770 LNIXQSTXSIEQSX-UHFFFAOYSA-N 329.403 3.708 0 50 EHAA CCOc1ccc(COC)cc1/C=C1/N=C(c2ccccc2)OC1=O 22014470 OYRVGRYCBZGAPO-SFQUDFHCSA-N 337.375 3.576 0 50 EHAA CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1(C)C 229255760 CSWWZZLWGGYFBM-XKQJLSEDSA-N 349.496 3.506 0 50 EHAA Clc1ccccc1-c1cc(C2CCN(Cc3cnc[nH]3)CC2)n[nH]1 67920136 GVYMUYFXLDKZFA-UHFFFAOYSA-N 341.846 3.833 0 50 EHAA O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CCN2CCCC[C@@H]12 229724486 HWKYAZIXSGNSND-RTWAWAEBSA-N 334.463 3.639 0 50 EHAA O=C(CSCc1cscn1)N1CCCc2ccc(F)c(F)c21 355142425 WKHOHTGTCBGNMH-UHFFFAOYSA-N 340.420 3.634 0 50 EHAA O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CCN2CCCC[C@@H]12 229714109 BLQCGCFSMRRQPV-YADHBBJMSA-N 348.490 3.952 0 50 EHAA OC1(c2ccccc2)CCN(c2ncc(C(F)(F)F)s2)CC1 253423931 QWYKGFKLPJHRBF-UHFFFAOYSA-N 328.359 3.650 0 50 EHAA CSc1cccc(F)c1C(=O)Nc1cccc2c1OCC[C@@H]2O 253429189 BZYWLKKVFLVGPH-ZDUSSCGKSA-N 333.384 3.616 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)c2ccnnc2)ccc1Br 280647014 BSRCLKUWJBLHDV-OAHLLOKOSA-N 346.228 3.525 0 50 EHAA Cc1nc(N2CCC(CCn3cccn3)CC2)c2ccsc2n1 77422736 BRDPGBXQDHUAQU-UHFFFAOYSA-N 327.457 3.503 0 50 EHAA O=C(O)C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 4743872 PYMZRPHJOLGKPA-UTNBAMHJSA-N 345.414 3.674 0 50 EHAA CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Cc2ccon2)C(C)(C)O1 329382061 QPOHMNSPMUCRJP-QGZVFWFLSA-N 342.439 3.592 0 50 EHAA COc1ccccc1OCCCN(C)C(=O)[C@@H]1CCc2ccccc21 215724276 GPNDIWXJFOVFCU-GOSISDBHSA-N 339.435 3.653 0 50 EHAA CCc1ccc([C@@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1 72442190 VPHOERZWHRFRSJ-MRXNPFEDSA-N 338.451 3.577 0 50 EHAA O=C1CC[C@@]2(CCCO2)CCN1Cc1ccc(OC(F)(F)F)cc1 72166257 JEXJTRCQUBDLHO-INIZCTEOSA-N 343.345 3.647 0 50 EHAA Cc1noc(C)c1CSCC(=O)N(c1ccccn1)C1CCCC1 154739393 OBIDNIXZGUMLHM-UHFFFAOYSA-N 345.468 3.895 0 50 EHAA c1ccc(Cc2noc(-c3ccc(NCc4cccnc4)nc3)n2)cc1 39500657 MJKWFSMCFSMKHE-UHFFFAOYSA-N 343.390 3.730 0 50 EHAA COc1ccc(CNC(=O)[C@@H](C)N2CCC[C@H]2c2cccs2)cc1 241126105 JJOBIIVVFDDVKW-PBHICJAKSA-N 344.480 3.599 0 50 EHAA Cc1cnc(CCCc2nc(-c3ccccc3OC(F)F)no2)o1 453054605 AZPKGEOJIGCDMC-UHFFFAOYSA-N 335.310 3.810 0 50 EHAA O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1cc(C2CC2)no1 239782575 CPJGTFFITICALF-UHFFFAOYSA-N 345.362 3.538 0 50 EHAA CC(C)c1cc(=O)[nH]c(-c2ccccc2CN2CCC(C)(C)C2)n1 48267874 GOIQZOQOVCXHCX-UHFFFAOYSA-N 325.456 3.792 0 50 EHAA COc1cc(CNC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1O 45615012 HDMZFSQPXDLTIU-AUUYWEPGSA-N 332.444 3.511 0 50 EHAA CO[C@H](C)c1cccc(-c2nc(N(C)C)n(Cc3ccccc3)n2)c1 426690355 UUKVTJQZYGJYCR-OAHLLOKOSA-N 336.439 3.767 0 50 EHAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(Cl)cc1Cl)[C@@H]1C[C@@H]31 239296744 DDYUTCUZZQMLEM-XQLQCCRHSA-N 334.202 3.551 0 50 EHAA CCCOc1ccccc1[C@@H](C)N1CC2(CCNCC2)CCC1=O 91858107 UQRWIFQKKJRJPP-MRXNPFEDSA-N 330.472 3.529 0 50 EHAA CCn1cnnc1CN(C)C(=O)Nc1ccc(Cl)c(C)c1Cl 96163509 UXPBULWVYGVBPM-UHFFFAOYSA-N 342.230 3.577 0 50 EHAA CN(Cc1nc2ccccc2s1)C(=O)c1ccc(-c2cc[nH]n2)cc1 91951898 SYBUTCAQXGNYLH-UHFFFAOYSA-N 348.431 3.959 0 50 EHAA O=C(NCc1c(F)ccc(F)c1F)c1ccc([C@H]2CCCO2)s1 97601005 LBBZPBUTTILVTO-GFCCVEGCSA-N 341.354 3.947 0 50 EHAA COCc1ccsc1C(=O)N1CCCN(C)c2ccc(F)cc21 182104614 ZAUPGDBKCLGREA-UHFFFAOYSA-N 334.416 3.520 0 50 EHAA O=C(NCc1noc(C2CC2)n1)N1CCCC[C@H]1c1ccc(F)cc1 534669091 FDSPHHNVXUBUAH-HNNXBMFYSA-N 344.390 3.523 0 50 EHAA O=C(CCSCc1ccccc1)N1CC(Oc2ccc(F)cc2)C1 299783059 GXLOSTVQIGHYPM-UHFFFAOYSA-N 345.439 3.739 0 50 EHAA Cc1ccc(C)c(-c2csc3ncn([C@@H]4CCCNC4)c(=O)c23)c1 670463416 DMQRXFUTEDLGBM-CQSZACIVSA-N 339.464 3.666 0 50 EHAA CC(C)Cc1ccc([C@@H](NC(=O)Nc2ncn(C)n2)C(C)C)cc1 1476681504 KVJMDHLDOSLGEF-INIZCTEOSA-N 329.448 3.532 0 50 EHAA CCCCOc1ccc(CNc2nnc(CCc3ccco3)[nH]2)cc1 170596342 JFGSCVFUQVRQPX-UHFFFAOYSA-N 340.427 3.974 0 50 EHAA COc1ccc(CCC(=O)Nc2csc(-c3ccncc3)n2)cc1 170596301 FCUFQDXAZONFSN-UHFFFAOYSA-N 339.420 3.785 0 50 EHAA O=C(c1cccs1)N1N=C(c2ccncc2)C[C@H]1c1cccc(O)c1 170620260 OSNBPJNWMQCIOR-KRWDZBQOSA-N 349.415 3.840 0 50 EHAA O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cccnc1C(F)(F)F 188420193 IVZMCKPYMRPRNT-VHDGCEQUSA-N 332.325 3.559 0 50 EHAA Cc1cc(Br)ccc1OCC(=O)NC1CCCCCC1 310997 YZXAWTYLMLBDJS-UHFFFAOYSA-N 340.261 3.975 0 50 EHAA CC(C)c1cc(C(=O)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2O)no1 216325846 ZDCJIBZJVCPGAL-ROUUACIJSA-N 342.439 3.744 0 50 EHAA CC(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)s1 12448787 HMFLGCDTHLGKHT-HNNXBMFYSA-N 328.437 3.667 0 50 EHAA Cc1ccc(CN2CCC(=O)N(Cc3ccccc3F)CC2)c(C)c1 12451674 UHUMCYYFCAPUAA-UHFFFAOYSA-N 340.442 3.677 0 50 EHAA CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1F 13479878 KSJZOVYBZGVNSC-UHFFFAOYSA-N 338.382 3.638 0 50 EHAA C[C@H]1CN(C(=O)c2sc3cccc(F)c3c2Cl)C[C@@H](C)O1 16400619 CWMGSZKLMJPWMC-DTORHVGOSA-N 327.808 3.943 0 50 EHAA Cc1cc(C)n(Cc2ccc(CN3CCC[C@H](C(C)(C)O)C3)cc2)n1 19228799 HDOLZOCFCFAGJT-FQEVSTJZSA-N 341.499 3.531 0 50 EHAA Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@H]1CCNC1 225471935 HLAQTGXCTIMJCD-MFKMUULPSA-N 349.887 3.559 0 50 EHAA Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cccc(Cl)c2C)C1 225606348 HBGSOSXFHYGQNN-CQSZACIVSA-N 348.830 3.685 0 50 EHAA O=C(c1ccccc1OC1CC1)N1CC2(CCC2)[C@H]1C1CCOCC1 425638661 WVLLGUYGSLMYPQ-LJQANCHMSA-N 341.451 3.649 0 50 EHAA CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccccc3OC)ccc21 12324310 VMWOVAQTEVZAQV-UHFFFAOYSA-N 336.391 3.591 0 50 EHAA C[C@H](c1nc(-c2cc(F)c(F)c(F)c2)no1)N(C)CC(F)(F)F 252483534 FDRCOUGZQKDZHE-ZCFIWIBFSA-N 339.239 3.709 0 50 EHAA O=C(O)c1ccc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)cn1 262688696 BQCIVNAVADMLRF-MRXNPFEDSA-N 344.798 3.801 0 50 EHAA CCOC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ccccc23)CC1 1857583647 JSUCDRSIJWHZNF-KRWDZBQOSA-N 339.435 3.574 0 50 EHAA c1cncc(-c2nc3c(c(=NCc4ccc(C5CC5)cc4)[nH]2)CCC3)c1 1875294513 HTGPJSMIIFABJO-UHFFFAOYSA-N 342.446 3.939 0 50 EHAA Cn1cc([C@@H]2CCCCN2C(=O)C2CC[C@H]3[C@H](CC2)C3(F)F)cn1 1875276167 YPRMYWSYCCBXOI-JYJNAYRXSA-N 337.414 3.545 0 50 EHAA COc1ccccc1Cc1nnc(SC[C@]23CCC[C@H]2CCO3)o1 1775989482 BNBXTTPMIGICIQ-KBXCAEBGSA-N 346.452 3.720 0 50 EHAA Cc1cccc(-c2ccc(NC(=O)c3cc(C4CC4)nn3C)nc2)c1 899545840 DSIQEVZVJKYKGK-UHFFFAOYSA-N 332.407 3.920 0 50 EHAA O=C(/C=C/c1ccc2c(c1)CCO2)O[C@@H]1CCC[C@H]1c1cccnc1 2325743000 MCFHLUDWKFTLQX-SNPIWTPDSA-N 335.403 3.909 0 50 EHAA O=C(NC[C@@H]1CCC[C@@]2(CCOC2)O1)Nc1ccc2sccc2c1 2325769526 QVXFKMFJJQXDEN-YJBOKZPZSA-N 346.452 3.751 0 50 EHAA C[C@@H]1CC(NC(=O)NCc2n[nH]c3ccc(Cl)cc23)C[C@@H](C)C1 2325843051 RPDPYFCELHOEGO-QWRGUYRKSA-N 334.851 3.840 0 50 EHAA Cc1ccnc(-n2nccc2NC(=O)CCc2ccccc2Cl)c1 135615617 OFJSYLKKEYMRHX-UHFFFAOYSA-N 340.814 3.800 0 50 EHAA C=CC(=O)Nc1cc(NC(=O)[C@@H](OCC)c2ccccc2)ccc1F 136590136 WMSXUPIYJGQKQO-SFHVURJKSA-N 342.370 3.667 0 50 EHAA CCc1ccc(OCC(=O)n2cc(C(=O)OC)c3ccccc32)cc1 87970 VTIZHHPNSWFDIR-UHFFFAOYSA-N 337.375 3.710 0 50 EHAA CCN(CC)c1ccc2cc(C(=O)c3cccs3)c(=O)oc2c1 155802 HSYRYXPRQYPBBQ-UHFFFAOYSA-N 327.405 3.932 0 50 EHAA in-vitro CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2cc3c(cc21)OCCO3 609971 PERBKCBUHQDFKG-CQSZACIVSA-N 339.391 3.719 0 50 EHAA COc1ccc(OC[C@H](O)Cn2c(C(C)C)nc3ccccc32)cc1 787281 DWOLAPLQFSKEGK-OAHLLOKOSA-N 340.423 3.608 0 50 EHAA CCCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 2838113 MIGFSHNHZGLHNB-HNNXBMFYSA-N 340.423 3.681 0 50 EHAA COC(=O)c1ccc(OCCCOc2ccc(C)cc2OC)cc1 2985496 HCMJXFADMVGFQV-UHFFFAOYSA-N 330.380 3.638 0 50 EHAA C[C@H]1CCC[C@H](N2CCC(N3CCN(c4ccccc4)CC3)CC2)C1 4712150 SVKBQAXMGBRMLF-UGKGYDQZSA-N 341.543 3.852 0 50 EHAA Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2C(F)(F)F)o1 225408684 ASQPHKJYXBFLGW-BXUZGUMPSA-N 339.313 3.555 0 50 EHAA Cc1ccc2[nH]c(C(=O)Nc3cccc(Cn4cncn4)c3)cc2c1C 342247088 MWZKGZCJGLHERN-UHFFFAOYSA-N 345.406 3.677 0 50 EHAA CCc1ncc2c(n1)CN(C(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)C2 67588385 WRSDLMANTYSHLQ-GOSISDBHSA-N 343.858 3.974 0 50 EHAA CC(C)C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1nnc2ccccn12 20738658 GKLBMLRBUNIPNI-MRXNPFEDSA-N 347.422 3.728 0 50 EHAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1(c2ccccc2F)CC1 65533550 BIJDQRRZDLAYGM-UHFFFAOYSA-N 329.419 3.537 0 50 EHAA CC(C)c1nc([C@@H]2CCCCN2C(=O)N(C)c2ccc(F)cc2)n[nH]1 349929925 LZLMJARVNNSDDU-HNNXBMFYSA-N 345.422 3.851 0 50 EHAA O=C(CCC(F)(F)F)N1CCO[C@@H](CCCc2ccccc2)C1 12299267 QAEZKOFLCWFCIB-HNNXBMFYSA-N 329.362 3.579 0 50 EHAA Cc1ccc2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnn(C)c3)nc2c1C 63856365 YEDIUSBXOHEOKD-AWEZNQCLSA-N 348.450 3.877 0 50 EHAA Cc1cc(Br)c(C(=O)O)cc1NC(=O)OC(C)(C)C 306674579 QRWKDAKEEJZGCZ-UHFFFAOYSA-N 330.178 3.803 0 50 EHAA O=c1c(Br)coc2c(Br)cc(Cl)cc12 57951 MNVFHWSPHOWZGY-UHFFFAOYSA-N 338.382 3.971 0 50 EHAA biogenic Cc1cc2nc(-c3ccccc3)cc(NCc3noc(C4CC4)n3)n2n1 72447889 PQDOSPGOTVVXED-UHFFFAOYSA-N 346.394 3.577 0 50 EHAA COCc1nc(CN2CCC[C@@H]2c2nc(C3CCCCC3)co2)no1 367978574 AANKRFHHUAEKOV-OAHLLOKOSA-N 346.431 3.589 0 50 EHAA CC(C)n1cc(C(=O)N[C@@H](c2ccncc2)c2ccc(F)cc2)cn1 77375037 ZLZMOLDFKVVPIZ-GOSISDBHSA-N 338.386 3.518 0 50 EHAA Cc1nnc(-c2ccc(OC[C@@H]3CCCN4CCCC[C@H]34)cc2)o1 72150696 QEWMQCIJRXBPOY-FUHWJXTLSA-N 327.428 3.688 0 50 EHAA CSc1ccccc1C(=O)N(C)Cc1cccc(-n2cccn2)c1 77420026 YWDQHGPLTZFFBD-UHFFFAOYSA-N 337.448 3.866 0 50 EHAA CCn1cc(C(=O)N(Cc2ccccn2)C2CCCCC2)c(C)n1 216426566 HMPDTPRWDVPCKT-UHFFFAOYSA-N 326.444 3.582 0 50 EHAA CN(CCSc1ccccc1)C(=O)c1cccc(-c2ncc[nH]2)c1 215584128 OXSAZTDRVFEBJI-UHFFFAOYSA-N 337.448 3.941 0 50 EHAA C[C@H](c1ccncn1)N(C)C(=O)c1ccccc1OCc1ccccc1 223040249 VPOVSRLOMYSASF-MRXNPFEDSA-N 347.418 3.889 0 50 EHAA C[C@@H]([C@H]1CCCO1)n1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 17070774 YSISXRAGZZJPCJ-GXSJLCMTSA-N 336.482 3.739 0 50 EHAA Cc1cc(N2CCCN(C(=O)CCCc3cccs3)CC2)ccn1 82099444 DFDWWHQQIHSVJT-UHFFFAOYSA-N 343.496 3.513 0 50 EHAA O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)[C@H]1CCCCO1 97213062 IAECWYBMRIVUEL-JTTJXQCZSA-N 341.455 3.522 0 50 EHAA CN1CC2(CCC1=O)CCN(Cc1cccc(C(F)(F)F)c1)CC2 91433949 FNADEBNUUDLVAR-UHFFFAOYSA-N 340.389 3.540 0 50 EHAA COCCn1cncc1CN1CCCCC[C@@H]1c1cccc(F)c1 244788067 QIRQORNSSCSXAD-LJQANCHMSA-N 331.435 3.786 0 50 EHAA Cc1cc(C(=O)N(C)[C@@H](C)c2ccccc2F)c2c(C)nn(C)c2n1 298342094 DNQWWNJUWOWFRZ-ZDUSSCGKSA-N 340.402 3.557 0 50 EHAA O=C(c1ccc(-c2ncn[nH]2)cc1)N(Cc1ccco1)C1CCCC1 184862152 CYXAQUWBEQZTPA-UHFFFAOYSA-N 336.395 3.650 0 50 EHAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1ccccc1OC1CCCC1)CC2 299793927 IQJCYTNUUDBLED-JRGCBEDISA-N 345.483 3.512 0 50 EHAA COCCNC(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 408515457 ROJYBWAHDLXJNF-UHFFFAOYSA-N 345.346 3.597 0 50 EHAA Cc1csc(NC(=O)c2cc(OCc3ccccc3)ccc2O)n1 170634658 UHPVSNMXOHKXNA-UHFFFAOYSA-N 340.404 3.988 0 50 EHAA CC(C)c1noc([C@@H]2CCCN2c2nc(-c3ccccc3)no2)n1 1529172518 NMHOPPVFPLSXSZ-ZDUSSCGKSA-N 325.372 3.585 0 50 EHAA CCC[C@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@@H]1NC(C)=O 219640179 AYFBDCYKYAPBQS-BBRMVZONSA-N 329.271 3.730 0 50 EHAA CC(=O)c1ccc(N2CCOCC2)c(-c2ccc(F)c(C)c2O)c1 1772704996 JPFUIYSCTJCUKX-UHFFFAOYSA-N 329.371 3.546 0 50 EHAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 12434866 ZOXITHPKYIFOSD-KRWDZBQOSA-N 326.465 3.898 0 50 EHAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2ccccn2)C1 13594221 NRHPVURZBQQKGA-OAHLLOKOSA-N 326.465 3.898 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2n[nH]c3ccccc23)C[C@H](C(C)C)O1 1875249792 BFRGCGFOBKVPHS-RHSMWYFYSA-N 329.444 3.619 0 50 EHAA CN(CC1(O)CCCC1)C(=O)Nc1cccc(Oc2ccccc2)n1 934427223 IGYKGJSEKXUEHM-UHFFFAOYSA-N 341.411 3.643 0 50 EHAA O=C(Nc1c(O)n[nH]c1-c1ccccc1)c1cnc2ccc(F)cc2c1 1159366539 OICPHRUQTXSYBZ-UHFFFAOYSA-N 348.337 3.722 0 50 EHAA CC1(C)CC[C@H](F)[C@H]1NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 1875354036 OUZMXLYPMVRZIR-VHDGCEQUSA-N 349.368 3.561 0 50 EHAA Cc1c(Cl)cc(NC(=O)[C@@H]2CCC(=O)N(C(C)C)C2)cc1Cl 1875307624 GRBHSUSWYVNFFV-LLVKDONJSA-N 343.254 3.887 0 50 EHAA O=S(=O)(CC[C@H]1CC1(Cl)Cl)Oc1ccc2ccncc2c1 881742009 WMSCABFFWMWRMV-LBPRGKRZSA-N 346.235 3.527 0 50 EHAA COc1ccc(Cc2cnc(NC(=O)Cc3ccccc3)s2)cc1 130162 LHJAYASKUKCJIA-UHFFFAOYSA-N 338.432 3.924 0 50 EHAA COc1ccc(NC(=O)c2ccc(Br)o2)cc1Cl 256007 YZCQMDMPESZVGV-UHFFFAOYSA-N 330.565 3.956 0 50 EHAA O=C(Nc1ccccc1)Nc1ccccc1I 287663 WYQARNGURARUDR-UHFFFAOYSA-N 338.148 3.935 0 50 EHAA Cc1cc(C)n(C(=O)COc2ccc(Br)cc2Cl)n1 358987 QTYRVJYFQCFYQQ-UHFFFAOYSA-N 343.608 3.635 0 50 EHAA CCCC(=O)Nc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 559950 AAHAVLUNCMWXKK-UHFFFAOYSA-N 342.395 3.695 0 50 EHAA Cc1[nH]c(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c(C)c1C(=O)OC(C)C 225425226 XISDMFYUKQTKLY-LALPHHSUSA-N 334.460 3.751 0 50 EHAA CN(Cc1ccccc1)C1CCC(NC[C@H](O)c2ccsc2)CC1 225509772 PCQDBUAGTGECEA-MHJFOBGBSA-N 344.524 3.814 0 50 EHAA O=c1cc(-c2nc(C3CC3)nn2-c2ccccc2)[nH]c2ccccc12 67676071 QKBNQLBOQMTAAE-UHFFFAOYSA-N 328.375 3.653 0 50 EHAA C[C@H](CCN1CCCN(C(=O)c2ccco2)CC1)c1ccccc1 65393468 ZWFAJKNJPKCWLF-QGZVFWFLSA-N 326.440 3.621 0 50 EHAA C[C@@H]1C[C@@H](C)CN(C(=O)COCc2cc(-c3ccc(F)cc3)on2)C1 20569320 YDZLVJHGORDLGW-ZIAGYGMSSA-N 346.402 3.502 0 50 EHAA CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H]2C/C=C\CCCC(=O)O[C@@H]1C[C@@H]2O 64857952 KBFCVOAVUKWCPS-PGWUFSIFSA-N 336.472 3.523 0 50 EHAA in-vitro CCOc1cccc(OCCN2CCC[C@H]2c2c(C)noc2C)c1 65404615 YVFHJJPMFGMTDQ-SFHVURJKSA-N 330.428 3.906 0 50 EHAA CC(C)C[C@@H](C)NC1CCN(c2ccc(-n3cccn3)cc2)CC1 63845090 HXMKGJFVTDAHKT-QGZVFWFLSA-N 326.488 3.865 0 50 EHAA Cc1ncc(C(=O)NCc2cccnc2Oc2c(C)cccc2C)cn1 67674107 PHMCMMKKDQNBDY-UHFFFAOYSA-N 348.406 3.519 0 50 EHAA C[C@H](Cc1cccc(O)c1)NC(=O)[C@H]1CCSc2ccccc21 427648532 QBUUUTBIWABIPT-DYVFJYSZSA-N 327.449 3.719 0 50 EHAA CN1C(=O)C2(CCN(Cc3ccc4[nH]ccc4c3)CC2)c2ccccc21 72150994 PRDYVUDVCXDQKE-UHFFFAOYSA-N 345.446 3.678 0 50 EHAA Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@@H]1c1cccc(F)c1 77472457 BAQDQQDPNMHDPO-QGZVFWFLSA-N 342.414 3.509 0 50 EHAA CCc1nccn1CCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 77341107 JSOOUJXZQFZIOV-QGZVFWFLSA-N 329.419 3.729 0 50 EHAA CO[C@@]1(C)CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 253432422 ZCJWAQMLVQEXAS-HNNXBMFYSA-N 333.325 3.876 0 50 EHAA Cc1ccc(-c2nc3sccn3c2CN2CCn3cncc3C2)cc1 72157494 LLQPXYOTAXRVCG-UHFFFAOYSA-N 349.463 3.584 0 50 EHAA O=C(c1scc2c1CCCC2)N1CCC(CCn2cccn2)CC1 220514893 POTMDNRDJWYURT-UHFFFAOYSA-N 343.496 3.766 0 50 EHAA O=C(NC1(CO)CCCC1)c1ccc(-c2ccc(F)c(F)c2)cc1 426649528 GOBPBRYSWOIWAE-UHFFFAOYSA-N 331.362 3.667 0 50 EHAA O=C(c1cnn(-c2ccccc2)c1)N1CCCC[C@@H]1c1cccnc1 96142199 SMAUWTLZSIDANI-LJQANCHMSA-N 332.407 3.635 0 50 EHAA COc1cc(OC)cc(-c2cccc(C(=O)N3CCC(F)CC3)c2)c1 426445636 PQGQWOZCJPYUMV-UHFFFAOYSA-N 343.398 3.945 0 50 EHAA O=C(c1ccn(C(F)F)n1)N1CCCC[C@@H]1CCc1ccccc1 95369683 ZXPSFDDWEMXWBU-OAHLLOKOSA-N 333.382 3.906 0 50 EHAA CCCCSc1ncc(CN2CCCC3(CCOCC3)C2)cn1 97474941 MKAURNXVMBFFLJ-UHFFFAOYSA-N 335.517 3.761 0 50 EHAA CC(C)(CNC(=O)N[C@H]1CCCOCC1)c1ccc(F)cc1Cl 183580189 BNCOJYBFHKXYBK-ZDUSSCGKSA-N 342.842 3.625 0 50 EHAA O=C(Nc1cccc(C(F)(F)F)n1)N1CCCC[C@@H]1c1ncc[nH]1 181874738 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Cc1oc(C(C)C)cc1-c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 252503314 VAZROWJQRJVEOC-UHFFFAOYSA-N 346.408 3.832 0 50 EHAA CCCCOc1ccc(NC(=O)N2CCCC3(C2)OCCO3)c(C)c1 120196617 JBYWFIRCQHFVCU-UHFFFAOYSA-N 348.443 3.545 0 50 EHAA COc1ccccc1NC(=S)Nc1ccc2c(C)cc(=O)oc2c1 2781715 IVKBRNFQAGAYLX-UHFFFAOYSA-N 340.404 3.919 0 50 EHAA Cc1nccn1-c1ccc(CNC(=O)CCc2ccc(F)cc2)cc1 72437290 POFLLDVCQDUGHC-UHFFFAOYSA-N 337.398 3.569 0 50 EHAA CN(Cc1cc(-c2ccccc2)no1)C(=O)CCc1ccc(O)cc1 72458515 RQGHBBMWTPRKOT-UHFFFAOYSA-N 336.391 3.638 0 50 EHAA Cc1c([C@H](C)NCc2ccc3c(c2)OCCO3)cnn1-c1ccccc1 12591734 OGGHFDCRQUXTPA-HNNXBMFYSA-N 349.434 3.803 0 50 EHAA Cc1ccc2cc(C(=O)N3CCC(c4ccn[nH]4)CC3)c(C)nc2c1 125800127 NRWBLRWCWSNYOA-UHFFFAOYSA-N 334.423 3.595 0 50 EHAA CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@]1(C)CCCCO1 72456783 FYNQLGSNHQBSAK-SFHVURJKSA-N 330.453 3.728 0 50 EHAA C[C@@H](NCC1(c2ccc(Br)s2)CCC1)[C@@H]1CCOC1 375894266 CXJMTKALWWDQOG-VXGBXAGGSA-N 344.318 3.947 0 50 EHAA COc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c(C)n1 241846675 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EHAA CC(C)c1noc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2)n1 827999722 JWEMHRGRPWZDTO-SNVBAGLBSA-N 339.848 3.816 0 50 EHAA Cc1nccc(C(=O)N2CCC[C@@]2(C)Cc2cc(Cl)cs2)n1 885247555 HCPUCGBHLRFAIM-INIZCTEOSA-N 335.860 3.737 0 50 EHAA COC[C@@H](NC1CCN(c2cccc(C)c2C)CC1)c1ccccn1 1506414573 GDJRJJDTXRKQIO-HXUWFJFHSA-N 339.483 3.645 0 50 EHAA Cc1nc(C(=O)N[C@@H]2CCC[C@@H]3C[C@H]32)nn1-c1ccccc1C(C)C 1875311030 KBUOMXMLMVUAKS-DJIMGWMZSA-N 338.455 3.618 0 50 EHAA Cc1nc(-c2ccc(NCc3nc4ccccc4nc3C)cc2)no1 1875311953 PYSCWRZKJMCSJX-UHFFFAOYSA-N 331.379 3.909 0 50 EHAA COc1ccc(C2(C(=O)Nc3ccc(C)cc3)CCOCC2)cc1 612507 LSOOKFCBBFHWCE-UHFFFAOYSA-N 325.408 3.691 0 50 EHAA Cc1c(Cl)cccc1NC(=O)c1nnn(-c2ccccc2F)c1C 2715817 UFSSWXSQQXOLMR-UHFFFAOYSA-N 344.777 3.929 0 50 EHAA C[C@@H](c1ccc(-c2ccc(-c3n[nH]c(=N)[nH]3)o2)cc1)N1CCCCC1 2356170770 FFEIIQZJBPYORA-ZDUSSCGKSA-N 337.427 3.691 0 50 EHAA COc1cc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)ccc1O 3903056 VJFSYLSQDUCJAY-ZMMCEODWSA-N 344.367 3.596 0 50 EHAA CCCC(=O)Nc1cccc(NC(=O)Cc2ccc(OC)cc2)c1 9229928 ZDDBPNDMNRJDMU-UHFFFAOYSA-N 326.396 3.615 0 50 EHAA O=C(CCC(=O)N1CCC[C@@H](c2ccccc2)CC1)NC1CCCC1 55061048 QXPXUCRYHFKPGK-GOSISDBHSA-N 342.483 3.622 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)c1 247852965 WKCLDLFWQQCOBB-BZUAXINKSA-N 329.469 3.529 0 50 EHAA CCOc1c(CNC[C@H](O)c2ccccc2)cc(Cl)cc1OC 20476815 OEXCGISTRNEMNC-INIZCTEOSA-N 335.831 3.571 0 50 EHAA Cc1ccn2c(C(=O)Nc3cnn(-c4ccccc4F)c3C)cnc2c1 135571116 JPKMNAUQLZHFNU-UHFFFAOYSA-N 349.369 3.528 0 50 EHAA C[C@H]1CCCN(CCC(=O)N(C)Cc2cc3ccccc3s2)C1 20271923 HAKDYQIYGSXLNP-HNNXBMFYSA-N 330.497 3.982 0 50 EHAA O=C(Nc1cnc2n1CCCC2)c1csc(Cc2ccccc2)n1 67773616 VEBYKWTYSMKVJX-UHFFFAOYSA-N 338.436 3.519 0 50 EHAA Cn1cc([C@H]2OCCC[C@@H]2NCc2cnc(C3CCCC3)s2)cn1 328656654 ZNEGRDFVRVUPHI-DLBZAZTESA-N 346.500 3.544 0 50 EHAA Cc1occc1C(=O)OCCn1nc(-c2ccc(Cl)cc2)cc1N 253427139 WKZYQGQCAGSKTN-UHFFFAOYSA-N 345.786 3.544 0 50 EHAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H](C)Oc1cccnc1 153258751 UVGHKUUKDXXNCP-UONOGXRCSA-N 347.484 3.957 0 50 EHAA O=C(c1nc(-c2ccccc2)cs1)N1CCC[C@H](N2CCCC2)C1 328586435 VSBGGUFNKORULQ-INIZCTEOSA-N 341.480 3.511 0 50 EHAA COc1ccc(CCCNC(=O)c2c(C)c3ccccc3n2C)cc1 215568342 HIUKQQXBMKADJD-UHFFFAOYSA-N 336.435 3.858 0 50 EHAA CCc1cc([C@@H](C)Nc2nc(C3CCCC3)nc3c2cnn3C)on1 72409250 PNFJHDCGJAMTTC-LLVKDONJSA-N 340.431 3.744 0 50 EHAA COc1ccc(OC)c(NC(=S)N2c3ccccc3C[C@@H]2C)c1 13839038 BNWOUCWZOKRMAR-LBPRGKRZSA-N 328.437 3.852 0 50 EHAA O=C(CCc1ccccc1)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 44917148 IBVJUEMTUMZIPI-SFHVURJKSA-N 335.407 3.986 0 50 EHAA CC(C)n1cccc1C(=O)N1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95368840 ACUFQKHQOIJSLT-QGZVFWFLSA-N 340.423 3.787 0 50 EHAA COc1ccccc1Oc1ccccc1NC(=O)N1CC[C@H](OC)C1 96163873 SJDVZNAUIHUPDG-AWEZNQCLSA-N 342.395 3.740 0 50 EHAA COc1cccc(CN2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)n1 181141562 OLDKURQDDFNQQI-OAHLLOKOSA-N 336.439 3.655 0 50 EHAA COC[C@H](c1ccccn1)N(C)Cc1cncn1C1CCCCC1 244794988 QXOOBYSZRALIDR-LJQANCHMSA-N 328.460 3.603 0 50 EHAA COCc1ccc([C@H]2CCCN2C(=O)c2cc3c(s2)CCOC3)o1 184148506 IIFNLUZPRXAONT-CQSZACIVSA-N 347.436 3.538 0 50 EHAA C[C@@H](Nc1nc(O)c2ccccc2n1)c1ccc(NC(=O)C2CC2)cc1 299625117 PMFZHRBHKBFNGE-GFCCVEGCSA-N 348.406 3.857 0 50 EHAA COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1/C=C/N(C)C 49952277 VNGMJYMAXYGYOP-BQYQJAHWSA-N 341.194 3.967 0 50 EHAA COCCC[C@H]1CCCCN1C(=O)c1cccc(-c2ncccn2)c1 299780555 AQWDSRNKVHFNGB-GOSISDBHSA-N 339.439 3.565 0 50 EHAA C[C@@H](O)c1nc2ccc(NC(=O)c3conc3-c3ccccc3)cc2[nH]1 952984652 QHNQRSRZKRZOSU-LLVKDONJSA-N 348.362 3.524 0 50 EHAA Cc1ccc2ncccc2c1CNC(=O)c1ccc(CN2CCCC2)o1 952975881 UHJDATSQNYOKMG-UHFFFAOYSA-N 349.434 3.662 0 50 EHAA O=c1ccnc2sc(N[C@@H](Cc3ccccc3)c3ccccc3)nn12 301129498 SQNJXGCOYIGNAZ-INIZCTEOSA-N 348.431 3.547 0 50 EHAA CCC1(CC)CN(C(=O)CCc2c(C)noc2Cl)CCS1 274396122 JIBXSBLJGCDNLJ-UHFFFAOYSA-N 330.881 3.703 0 50 EHAA C[C@H](NC1CCC(O)(c2cccnc2)CC1)c1cccc(F)c1F 186357008 KKTSTQSWOIRPPN-XIWWETDGSA-N 332.394 3.841 0 50 EHAA Fc1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)n[nH]2)c(F)c1 1775964977 AUGZVBSJFBYCHB-UHFFFAOYSA-N 348.316 3.613 0 50 EHAA Cc1c(-c2nnc(-c3ccco3)o2)nnn1-c1ccccc1Cl 12273976 YFTOONQYOIPRSZ-UHFFFAOYSA-N 327.731 3.539 0 50 EHAA C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@@H]1CCCO1 12383297 CQCZUELSBOMQDV-KCJUWKMLSA-N 327.808 3.991 0 50 EHAA CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(N)=O)cc1 13331759 OBRPJHCKDJTSQI-INIZCTEOSA-N 346.814 3.543 0 50 EHAA Cc1nccc([C@H]2CCCN(c3nc(C)nc4scc(C)c34)C2)n1 681227986 PIXPZQNACHBUSS-AWEZNQCLSA-N 339.468 3.791 0 50 EHAA CC(=O)Nc1cc(C(=O)N[C@H]2CC(C)(C)c3ccccc32)ccc1F 158363407 AWZYUQALJWCROJ-SFHVURJKSA-N 340.398 3.937 0 50 EHAA Cc1cccc(-c2noc([C@@H](C(C)C)N3Cc4ccccc4C3=O)n2)n1 906101332 JJNLKQRYGZRKIE-QGZVFWFLSA-N 348.406 3.793 0 50 EHAA CCO[C@H]1CCN(C(=O)Nc2cccnc2-c2csc(C)c2)C1 931023764 YHMTZGQBBNQOFK-AWEZNQCLSA-N 331.441 3.761 0 50 EHAA COc1cc(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)cnc1OC 861416196 KXHDWIWZSUFLDP-CQSZACIVSA-N 347.802 3.731 0 50 EHAA O[C@@]1(c2ccccc2F)CCN(Cc2cccc(-c3ccncc3)c2)C1 1875338668 GXHHEMBCFFOMOQ-QFIPXVFZSA-N 348.421 3.981 0 50 EHAA CN(Cc1ccc2ccc(Cl)cc2n1)C[C@@H]1CCc2nccn2C1 878469231 CYFDHCNBLXAXTJ-AWEZNQCLSA-N 340.858 3.779 0 50 EHAA O=C(CSc1nc(O)cc(-c2ccccc2)n1)c1cccs1 1307405237 SZVHQBFCWBMUFD-UHFFFAOYSA-N 328.418 3.886 0 50 EHAA CCOP(=O)(Cc1ccc(Cl)cc1-n1cncn1)OCC 1776004109 JPWWFRVSKLNGAT-UHFFFAOYSA-N 329.724 3.687 0 50 EHAA CCc1nc2c(s1)[C@H](N[C@@H]1CCO[C@@]3(CCSC3)C1)CCC2 110704237 JYKOGVDIACCCQT-XNJGSVPQSA-N 338.542 3.727 0 50 EHAA Cc1cc2ncn(C[C@H](O)COc3cccc(Cl)c3)c2cc1C 181002 KRQUDZKPAUWLMS-HNNXBMFYSA-N 330.815 3.746 0 50 EHAA O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 615496 IUOCJKTYUVRXQV-NSHDSACASA-N 349.217 3.985 0 50 EHAA CCOC(=O)c1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1 1060013 MAKZSICTENARDV-UHFFFAOYSA-N 347.378 3.506 0 50 EHAA CC(=O)NCCCc1nc2ccccc2n1Cc1cc(C)ccc1C 2721520 SDAAXKLGKOEZPK-UHFFFAOYSA-N 335.451 3.770 0 50 EHAA Cc1ccc(CNC(=O)COc2ccc(Br)c(C)c2)cc1 2836511 MOWWYTIFEJTILL-UHFFFAOYSA-N 348.240 3.761 0 50 EHAA COCCn1c(-c2cccc(OC)c2)nc(=S)c2c1CCCC2 2879227 NHLTXAFCWMDKLG-UHFFFAOYSA-N 330.453 3.813 0 50 EHAA Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O 4851355 BSTWUJDKFASTAI-SFHVURJKSA-N 349.386 3.681 0 50 EHAA CCc1ccc(C(=O)N(Cc2ccc(F)cc2)[C@H](CC)CO)s1 55072478 LTQDPGZNEOUFIR-OAHLLOKOSA-N 335.444 3.863 0 50 EHAA COc1ccc(-c2csc(Cc3ccccc3)n2)c2c1C(=O)CO2 225519917 OYCBCWMCJZYJBQ-UHFFFAOYSA-N 337.400 3.985 0 50 EHAA O=S(=O)(Cc1cccc2cccnc12)Nc1ccc2ncccc2c1 225696047 XHSUCRDQJMPNSX-UHFFFAOYSA-N 349.415 3.725 0 50 EHAA COc1ccc(OC)c(C2=NN(C(C)=O)[C@@H](c3ccc(C)cc3)C2)c1 225848878 UBOZACXKCONXNJ-LJQANCHMSA-N 338.407 3.710 0 50 EHAA COc1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1C(=O)O 25762366 DHAHWDPHMYBRDT-UHFFFAOYSA-N 328.755 3.900 0 50 EHAA COc1ccc(CN2CCCC2)cc1Oc1ccc(C(C)C)nn1 67935290 HGLXBGYQORLUJE-UHFFFAOYSA-N 327.428 3.997 0 50 EHAA COCc1nn2c(-c3ccncc3)ccnc2c1-c1ccc(F)cc1 67640815 FYLQPSJSWNLQNW-UHFFFAOYSA-N 334.354 3.744 0 50 EHAA Cc1nc2sccn2c1CN1CCC[C@@H](Nc2ccc(F)cc2)C1 11819573 JTURJHJNPZBHPM-MRXNPFEDSA-N 344.459 3.920 0 50 EHAA CN(C)c1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCCCC2)cc1 65396132 JAJAUINRTWZRAG-QGZVFWFLSA-N 338.455 3.928 0 50 EHAA COC(=O)CSc1nccc(-c2cc(Cl)cc(Cl)c2)n1 2809313 LLWAITLTUDTVEZ-UHFFFAOYSA-N 329.208 3.716 0 50 EHAA CCc1nc(C)c(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)o1 77534770 OITJICVMVXUGGV-CQSZACIVSA-N 346.402 3.616 0 50 EHAA CC(C)(C)c1n[nH]cc1C(=O)N1CCCn2c(cc3ccccc32)C1 329114038 SDRDEFBAWLHLJD-UHFFFAOYSA-N 336.439 3.708 0 50 EHAA O=C(c1ccc(CO)cc1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71776899 IJMJKQXGLHILFS-QGZVFWFLSA-N 341.426 3.803 0 50 EHAA O=C(c1cccnc1S)N1CCC(Oc2ccccc2Cl)CC1 126163156 KJJBYRMOUILBDQ-UHFFFAOYSA-N 348.855 3.707 0 50 EHAA Cn1cnc2cc(CN3CCC4(CC3)OCCc3ccccc34)ccc21 453574981 JTTDXFXATMVNJW-UHFFFAOYSA-N 347.462 3.637 0 50 EHAA C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C[C@H](c2ccccc2)C1 333992642 LBVHJYJDIGLBRY-XOYOTBSWSA-N 337.467 3.918 0 50 EHAA COc1cccc([C@@H]2CCCN2C(=O)NCCc2ncc(C)s2)c1 173622137 SVIIFVNIIVOEFB-INIZCTEOSA-N 345.468 3.549 0 50 EHAA COc1ccc(C)nc1NC(=O)c1cc(-c2cccc(Cl)c2)no1 174805671 ACWHVEQSUPYKSE-UHFFFAOYSA-N 343.770 3.959 0 50 EHAA CN(CCOc1ccc(Br)cc1)C(=O)OC(C)(C)C 82608856 FGPSXULSPMUNCC-UHFFFAOYSA-N 330.222 3.695 0 50 EHAA O=C(CCc1ccncc1)N1CCCC[C@H]1CCc1cccc(O)c1 82156466 SHOUFCKWWHLEPL-IBGZPJMESA-N 338.451 3.734 0 50 EHAA COc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1scnc1C 82109577 VVEBWSHMIJVFBG-MRXNPFEDSA-N 330.453 3.587 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H](CC(C)(C)C)c1cccnc1 82098571 MHNSSVZWAFSYNO-SFHVURJKSA-N 342.487 3.658 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(O)cc(C(F)(F)F)c1 263532467 XGPMTHCBPOHTCQ-UGFHNGPFSA-N 343.345 3.629 0 50 EHAA Cc1ccc(N2CCN(C(=O)c3csc(C(C)C)c3)CC2=O)cc1 82157858 FSKCIMCUNDOBTP-UHFFFAOYSA-N 342.464 3.669 0 50 EHAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2nccn2CC2CC2)C1 82157332 AYIBINOQXHGKHE-QGZVFWFLSA-N 348.450 3.794 0 50 EHAA Cc1cc(C)cc(CNC(=O)N(Cc2ccccc2)C[C@H](C)CO)c1 426632886 OBPQGVBMHBCVHZ-SFHVURJKSA-N 340.467 3.644 0 50 EHAA OCc1ccc(C[C@@H]2CCN(Cc3cc(-c4ccccc4)no3)C2)cc1 91350780 UYOAJIVQMBKNCJ-IBGZPJMESA-N 348.446 3.899 0 50 EHAA COc1ncc(-c2cc(C)no2)c(-c2cccc(Br)c2)n1 95629439 JSEZIOKLUIPIOJ-UHFFFAOYSA-N 346.184 3.878 0 50 EHAA O=C(CCN1CC[C@H](c2cccc(Cl)c2)C1)Nc1nccs1 244574873 CSTHVAJFPFODTD-ZDUSSCGKSA-N 335.860 3.615 0 50 EHAA Cc1ccc(C)n1CCCC(=O)N(C)C[C@@H]1CCCN2CCCC[C@H]12 253409878 MOUNWOZOZDKKEF-VQTJNVASSA-N 345.531 3.608 0 50 EHAA biogenic CCc1cc(NC(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)n(C)n1 183705711 ZVZKGKOBYGTDIT-OAHLLOKOSA-N 326.444 3.621 0 50 EHAA O=C(O)C[C@H]1CCCN(CCOc2ccc(C(F)(F)F)cc2)CC1 299745900 TYUPSQODNOZSLK-ZDUSSCGKSA-N 345.361 3.661 0 50 EHAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cncc(Cl)c1 294750420 DCDQISRMFXKPFZ-UHFFFAOYSA-N 343.814 3.532 0 50 EHAA CCSc1ncc(CN(Cc2ccccc2C)[C@H](C)COC)cn1 952868213 FMKOPMZNFFXUDA-MRXNPFEDSA-N 345.512 3.934 0 50 EHAA CC(C)(C)c1nc(CCNc2cc(N3CCCCC3)ncn2)cs1 301896788 QRQNBVFXHUTQGM-UHFFFAOYSA-N 345.516 3.876 0 50 EHAA CC(C)C[C@@]1(CO)CCCN1C(=O)NCC(C)(C)c1cccs1 190696073 UPAWLAQNHCADFI-GOSISDBHSA-N 338.517 3.608 0 50 EHAA C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cccc(CC(=O)O)c1 653641521 NDAOEPNIMAWEAE-ZDUSSCGKSA-N 345.826 3.670 0 50 EHAA CC(C)(C)c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 49284 SYUNHZZFQKKDSD-SFQUDFHCSA-N 334.444 3.754 0 50 EHAA COc1ccccc1CC(=O)Nc1ccc(Br)c(C)c1 2933090 JCLFLCHJVZSNTK-UHFFFAOYSA-N 334.213 3.947 0 50 EHAA CC(=O)N[C@H]1CN(Cc2cccc(-c3ccco3)c2)C[C@@H]1C(C)C 219791087 WSZFOJCOOSQLPX-MOPGFXCFSA-N 326.440 3.539 0 50 EHAA CCN1CCC(NC(=O)c2csc(C)c2-c2ccccc2)CC1 16580276 ASYZKVAQQDONTB-UHFFFAOYSA-N 328.481 3.938 0 50 EHAA Cc1nc(NC(=O)c2csc3ccccc23)sc1C(=O)N(C)C 16580672 DNMIHWBLAFRJFN-UHFFFAOYSA-N 345.449 3.620 0 50 EHAA O=C(c1cccc(Cl)c1)N1CCN(Cc2ccc(Cl)cc2)CC1 19831919 IDRPSIHEINLWQU-UHFFFAOYSA-N 349.261 3.951 0 50 EHAA O=C(N[C@@H]1CCc2ccc(Cl)cc21)c1cnc2c(c1)C(=O)CCC2 1857531377 OLVGNILTNGVDMW-QGZVFWFLSA-N 340.810 3.671 0 50 EHAA CCCCc1ccc(-c2nccn2CC2(CO)CCOCC2)cc1 1857678088 AZHDLYPSHGEVJK-UHFFFAOYSA-N 328.456 3.682 0 50 EHAA CCO[C@@H]1CCN(C(=O)Cc2csc(-c3ccccc3)n2)C[C@@H]1C 408519915 REHPHKCCIDWLBB-WMLDXEAASA-N 344.480 3.626 0 50 EHAA Cc1c(C(=O)N2CC(C)(C)Oc3ccccc32)cnn1-c1ccccc1 124756500 UIJKVBHROGKSAS-UHFFFAOYSA-N 347.418 3.999 0 50 EHAA Cc1cnc([C@H](C)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)o1 331876623 UQUGFIKIAXMFML-QWRGUYRKSA-N 328.338 3.666 0 50 EHAA CCOc1cccc2[nH]cc(CCNC(=O)N3CCC[C@@H](C)C3)c12 252505995 VVFMPDIJVYMVHC-CQSZACIVSA-N 329.444 3.551 0 50 EHAA CC[C@H](C)N(CC(=O)O)Cc1cc2cc(Br)ccc2o1 901988955 NQBSRGJDXARSPO-JTQLQIEISA-N 340.217 3.880 0 50 EHAA COC(=O)C(C)(C)c1[nH]c(=NCC[C@@H]2CCCC2(C)C)sc1C 1875332793 KMZWZAUHRBBFJV-ZDUSSCGKSA-N 338.517 3.952 0 50 EHAA CC1(C)C[C@@H](O)c2cccc(NC(=O)c3nccc4occc34)c2O1 885664328 QEUHLSOJAJHKOZ-CQSZACIVSA-N 338.363 3.675 0 50 EHAA O=C(c1ccc(O)c(-c2ccccc2)c1)N1CCC[C@H]1c1ncc[nH]1 2325748031 GMJIJYUMOJDYCR-KRWDZBQOSA-N 333.391 3.760 0 50 EHAA COc1ccc2c(c1)C1=C(CC2)[C@@H](c2ccc(F)cc2)NC(=S)N1 195211 MVYKBLBLUMXGCI-QGZVFWFLSA-N 340.423 3.711 0 50 EHAA CCN(CC)c1ccc(NC(=O)[C@H]2CC[C@](C)(C(=O)O)C2(C)C)cc1 223911 DUOIEPVTIVMMNP-OXQOHEQNSA-N 346.471 3.998 0 50 EHAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 432528 GDZZVLJBXUENLA-INIZCTEOSA-N 341.798 3.607 0 50 EHAA Cc1cc2ncn(C[C@@H](O)COc3ccccc3Cl)c2cc1C 446404 XITJYSOCRYCLGA-CQSZACIVSA-N 330.815 3.746 0 50 EHAA CCCNC(=O)Nc1cccc2c(NC(=O)NCCC)cccc12 2163962 GAPDIBIUBDVPNK-UHFFFAOYSA-N 328.416 3.903 0 50 EHAA O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccc(Cl)c2)on1 3908273 GFLPVVHGEGPCNV-UHFFFAOYSA-N 342.738 3.976 0 50 EHAA C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4721995 SCPADBBISMMJAW-UHHUKTEYSA-N 336.516 3.502 0 50 EHAA endogenous,in-man CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1 4856264 FOBGIFXTPZFDHV-OAHLLOKOSA-N 340.423 3.623 0 50 EHAA CC(=O)c1ccc(N2CCN(c3ccc4ccccc4n3)CC2)cc1 6456909 QFDGWVPNUVHUKA-UHFFFAOYSA-N 331.419 3.764 0 50 EHAA COc1ccc(Cl)cc1NC(=O)Nc1ccc(N(C)C(C)=O)cc1 6699332 STPPXLYPBOJJKL-UHFFFAOYSA-N 347.802 3.975 0 50 EHAA Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H](C3CCCCC3)C2)s1 222297459 NAERLHQFLIKQOE-BRWVUGGUSA-N 333.497 3.968 0 50 EHAA CC(C)Cc1ccc(CN2CCC[C@H](NC3CCOCC3)C2)cc1 20271636 NNELRUWPWKKZIM-NRFANRHFSA-N 330.516 3.618 0 50 EHAA CN(C)CCNCCCCOc1ccc(Cc2ccccc2)cc1 20418746 XMYLAJNKAKRAJE-UHFFFAOYSA-N 326.484 3.588 0 50 EHAA CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)c1ccncc1Cl 55119187 XPJRUFUXMSGKCB-UHFFFAOYSA-N 344.777 3.536 0 50 EHAA Cc1ccc(CN(CCN(C)C)C(=O)c2ccc3[nH]ccc3c2)s1 55182963 HFBVBLZOCZACHM-UHFFFAOYSA-N 341.480 3.742 0 50 EHAA O=C(Nc1cccc(CSC2CCCCC2)c1)c1ccc(=O)[nH]n1 116837160 CWJQRFPXPJHRFB-UHFFFAOYSA-N 343.452 3.588 0 50 EHAA Cc1nc(-c2cccc(-c3nc(CCc4ccccc4)n[nH]3)c2)no1 67774075 NXGMGRNOPYGFET-UHFFFAOYSA-N 331.379 3.615 0 50 EHAA COc1ccc2cc([C@H](C)Nc3nc(C)nc4c3CCNC4)ccc2c1 67955768 BNIACFQGKAJFFY-ZDUSSCGKSA-N 348.450 3.766 0 50 EHAA CC(C)N1CCC(C(=O)NCc2scnc2-c2ccccc2)CC1 65528212 MNANQNNZADGYCW-UHFFFAOYSA-N 343.496 3.547 0 50 EHAA COc1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)N2)cc1 33902808 BZNPJGHCQNVMRV-UHFFFAOYSA-N 344.418 3.846 0 50 EHAA CC1=C(Br)CN(C(=O)c2cncc3ccccc23)CC1 253433241 UJKFVCZWLVWVPD-UHFFFAOYSA-N 331.213 3.750 0 50 EHAA CC1(C)[C@H](NC(=O)N2CCC[C@@H]2CC2CCCCC2)[C@@H]2CCO[C@H]21 230217489 IQSPPQGJPXZFMR-XMTFNYHQSA-N 334.504 3.944 0 50 EHAA O=C(N[C@H]1CCCC[C@@H]1OCc1ccccc1)c1ccn2cncc2c1 154120206 DROOHWFDVFYMSY-PMACEKPBSA-N 349.434 3.592 0 50 EHAA C[C@H](Nc1nccc2c1C(=O)OC2(C)C)c1cccc(-n2ccnc2)c1 364830420 MGRSWAOCTUBFIL-ZDUSSCGKSA-N 348.406 3.846 0 50 EHAA COc1c(F)cc(CN2CCN(c3ncccc3C)CC2)cc1Cl 72147273 VKZKSOHEPMJLRC-UHFFFAOYSA-N 349.837 3.513 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)c2ccc(C)c(C)c2n1 77376206 PODPFKYCFMPFAM-QGZVFWFLSA-N 348.450 3.661 0 50 EHAA Oc1ccc(CNc2cc(-c3ccc(F)cc3)nc3ccnn23)cc1 72473853 JLICONZNRCSDJN-UHFFFAOYSA-N 334.354 3.853 0 50 EHAA Cc1[nH]nc2ncc(C(=O)N3C[C@H](c4ccccc4)C4(CCC4)C3)cc12 333982730 DDFTZKASAJEFHW-GOSISDBHSA-N 346.434 3.676 0 50 EHAA Cc1ccc(C)c([S@](=O)Cc2ccn(-c3ccc(F)cc3)n2)c1 173145936 UYFGMQZHCZUDCG-HSZRJFAPSA-N 328.412 3.936 0 50 EHAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 77437299 BXASLFBBXLJJRL-GOSISDBHSA-N 333.431 3.840 0 50 EHAA CSc1cccc(CNC(=O)N(C)[C@H](C)Cc2cc(C)ccn2)c1 426746093 LVSWHBBKXILAFO-OAHLLOKOSA-N 343.496 3.885 0 50 EHAA c1ccc(-n2ncc3[nH]c(-c4cccn4-c4ccccn4)nc32)cc1 48308325 SFMNSASFRJOAGG-UHFFFAOYSA-N 326.363 3.601 0 50 EHAA CC(C)(C)OC(=O)N1CCN(c2cccc3c2OC(C)(C)C=C3)CC1 44127107 SKFQKLYTNKOVJD-UHFFFAOYSA-N 344.455 3.928 0 50 EHAA FC(F)C(F)(F)CCN1CCC[C@H](c2nccn2CC2CC2)C1 82120084 XQNZDTZBWLVYCG-ZDUSSCGKSA-N 333.373 3.763 0 50 EHAA CC(=O)c1cc(CN2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3)cs1 91486932 LHVACHJFYIIAOE-FUHWJXTLSA-N 332.513 3.813 0 50 EHAA Cn1c(-c2ccc(Cl)cc2)cn(CC(=O)c2ccc(F)cc2)c1=N 334157607 RVEZDYWEGAUXFX-UHFFFAOYSA-N 343.789 3.648 0 50 EHAA CC[C@H]1CN(C(=O)CCc2ccc3ccccc3c2O)CCCO1 295092501 GCICNKDLWKFMTR-KRWDZBQOSA-N 327.424 3.506 0 50 EHAA CN(C[C@@H]1CCCCO1)C(=O)Nc1ccccc1OC(F)(F)F 299760150 NWOAVOFSFMPRPO-NSHDSACASA-N 332.322 3.618 0 50 EHAA O=[S@@](=NCC[C@H]1CCCO1)(c1ccc(F)cc1)C(F)(F)F 408525090 KNDOULBYNNOKOR-FIKIJFGZSA-N 325.327 3.742 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1csc(-c2ccco2)n1 274843361 PZQMSXBBKYVPGR-XBFCOCLRSA-N 332.425 3.621 0 50 EHAA COc1ccccc1C[C@@H](C)NCc1noc(-c2cccc(F)c2)n1 170088952 RKOWQGQGPALMLH-CYBMUJFWSA-N 341.386 3.605 0 50 EHAA CC(C)NC(=O)COc1ccc(Br)cc1C(C)(C)C 120535 XZKZBYXKUFDOJG-UHFFFAOYSA-N 328.250 3.650 0 50 EHAA Nc1cc(-c2cccc(Br)c2)nn1Cc1ccccc1 1214459 MZLZAPCURITIDY-UHFFFAOYSA-N 328.213 3.943 0 50 EHAA CC(C)n1cc(NC(=O)c2cc(-n3cccn3)ccc2Cl)cn1 1506400165 IQBIKZPGPCHMQJ-UHFFFAOYSA-N 329.791 3.555 0 50 EHAA Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccncc3Cl)C2)c1 1506429660 SRTUOWLXLPEUOH-OAHLLOKOSA-N 344.842 3.975 0 50 EHAA CC[C@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)O)c1ccccc1 5059946 CVVOJOJMQDCUFQ-ZDUSSCGKSA-N 343.379 3.534 0 50 EHAA O=C(CC1=CCCCC1)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 12702827 QDESBKRRMHYFCL-FQEVSTJZSA-N 338.495 3.625 0 50 EHAA Cc1ccc(-c2nc(CN(CCO)Cc3cccs3)c(C)o2)o1 14976908 MSEXVQYICXJCGK-UHFFFAOYSA-N 332.425 3.607 0 50 EHAA CC(C)c1c(C(=O)Nc2nccs2)nnn1-c1ccc(Cl)cc1 16651255 MHKNVTYTTBUILF-UHFFFAOYSA-N 347.831 3.753 0 50 EHAA Cc1ncc2c(c1-c1noc(-c3cc(C(C)C)oc3C)n1)CCNC2 19633651 GNARIBOLCIDAHZ-UHFFFAOYSA-N 338.411 3.778 0 50 EHAA C[C@@H](C[C@H]1C[C@@H](C)OC1=O)C(=O)Nc1cc(Cl)ccc1Cl 169620080 XBBINZULIPAWPH-AEJSXWLSSA-N 330.211 3.910 0 50 EHAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N(C)[C@@H](C)C1CCCCC1 225758283 QZIVUSPOMRVWCK-ZFWWWQNUSA-N 334.508 3.578 0 50 EHAA O=C(N[C@@H]1CCC[C@H]2OCC[C@@H]12)N(Cc1ccco1)Cc1ccco1 230156380 ZDICWJPSEKSERM-RCCFBDPRSA-N 344.411 3.542 0 50 EHAA C[C@@H]1CC(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)C[C@@H](C)O1 230248057 CPYDBCQGVJXZRK-NQBHXWOUSA-N 336.398 3.562 0 50 EHAA CCn1ccnc1[C@@H]1CCCCN1C(=O)[C@H]1CCCC(F)(F)C1 328586271 NDZVITNYCDSMCI-KBPBESRZSA-N 325.403 3.782 0 50 EHAA CC(C)OC[C@H](C)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 337331497 HHIHFFBQVYGZMB-JKSUJKDBSA-N 341.455 3.798 0 50 EHAA CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@@H]2CCO[C@@H]2C(C)C)no1 365468371 VIGVKLSSSKNNPO-OWCLPIDISA-N 349.475 3.698 0 50 EHAA CN(C(=O)NCCCc1nc(-c2ccccn2)cs1)C1CCCC1 874434854 GEQUWOCUKLJUFZ-UHFFFAOYSA-N 344.484 3.722 0 50 EHAA CCCn1nc(-c2nnc(C3=CCCCC3)o2)c2ccccc2c1=O 952876086 LKLJRXDZQKPBJF-UHFFFAOYSA-N 336.395 3.814 0 50 EHAA C[C@@H](NCc1ccc2cnn(C)c2c1)c1cccc(N2CCCC2=O)c1 952846938 HWMKSBGTSLWMHP-OAHLLOKOSA-N 348.450 3.551 0 50 EHAA O=C(Nc1ccnn1Cc1ccc(Cl)s1)c1coc(C2CC2)n1 888256111 PWYSJWCEHZYKSB-UHFFFAOYSA-N 348.815 3.764 0 50 EHAA Cc1ccc(OCc2nn(CN3CCCCC3)c(=S)n2C)cc1C 2810357 OLOALWRJSPWJRV-UHFFFAOYSA-N 346.500 3.590 0 50 EHAA CC(C)(C)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 12365012 SYUNHZZFQKKDSD-ATVHPVEESA-N 334.444 3.754 0 50 EHAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)c1ccccc1-c1ccccc1F 2100548206 XBPDTRXRLFMZIW-HDJSIYSDSA-N 341.382 3.866 0 50 EHAA Cc1ccc(CN2CCCN(Cc3ccnc4[nH]ccc34)CC2)cc1 2325728894 AVFDZAADYGCOHD-UHFFFAOYSA-N 334.467 3.579 0 50 EHAA CCCC(CCC)C(=O)NC[C@@H](C)N(C)C(=O)[C@H]1CC12CCCC2 2325792989 AXLJIIFCKNWRKX-NVXWUHKLSA-N 336.520 3.746 0 50 EHAA Cc1ccc(-c2nc([C@H]3C[C@H]3F)n(-c3ccc4[nH]ncc4c3)n2)cc1 2325855099 HTFGGOPAGGZMJD-JKSUJKDBSA-N 333.370 3.944 0 50 EHAA O=C(NC[C@H]1CCCO1)[C@@H](Sc1ccccc1)c1ccccc1 194944 OLDLFKGUYGCCDZ-AEFFLSMTSA-N 327.449 3.815 0 50 EHAA COc1cccc([C@H](O)c2nc3ccccc3n2C(C)C)c1OC 239203 BPWOPLTZPNDAOR-KRWDZBQOSA-N 326.396 3.716 0 50 EHAA Cc1ccccc1N1CCN(Cc2ccc(Br)o2)CC1 301111 AHUGUSZDZVOXJT-UHFFFAOYSA-N 335.245 3.673 0 50 EHAA Cc1cc(OCC(=O)NCc2ccccc2)cc(C)c1Br 312262 QWPIHZXWUPUORE-UHFFFAOYSA-N 348.240 3.761 0 50 EHAA COC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc(OC)cc1 370870 ZXQQKJIPOPQZOU-UHFFFAOYSA-N 333.409 3.919 0 50 EHAA COc1ccc(CCNC(=O)[C@@H](C)SCc2ccccc2)cc1 452124 DIJOPJPJNZSEIX-OAHLLOKOSA-N 329.465 3.676 0 50 EHAA CCc1ccc(OCC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 858641 BHOMWHOODLVAIU-UHFFFAOYSA-N 349.814 3.937 0 50 EHAA O=Cc1cccc(OCc2ccccc2I)c1 4808994 ZGYLNURJLIJAGV-UHFFFAOYSA-N 338.144 3.683 0 50 EHAA C[C@@H](c1ccc2ccccc2c1)[C@H](NC(=O)OC(C)(C)C)C(=O)O 5721765 WUVVJXQHWJQEQZ-LRDDRELGSA-N 329.396 3.921 0 50 EHAA O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1C[C@@H]1CCCO1 9118298 FQYRRTFALHZMAC-YJBOKZPZSA-N 326.371 3.571 0 50 EHAA CCOCCOc1ccc(NC(=O)COc2ccccc2Cl)cc1 9878531 DSBLAHHIRCHJFD-UHFFFAOYSA-N 349.814 3.773 0 50 EHAA OCC1(C[C@H]2CCCCO2)CCN(CCCc2ccccc2)CC1 11996884 DZSJNOHDBQSDMK-HXUWFJFHSA-N 331.500 3.653 0 50 EHAA Cn1cc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2)c2ccccc21 12307716 BHOAVKRLPHRBSU-QFIPXVFZSA-N 337.511 3.876 0 50 EHAA CCCCc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)cc1 14222978 JYHNWZNTFBEUAR-UHFFFAOYSA-N 349.452 3.847 0 50 EHAA COc1ccc(NC(=O)N[C@H]2CCCc3ccccc32)c(OC)c1 15934210 DHDMYWRSKMHVRN-INIZCTEOSA-N 326.396 3.903 0 50 EHAA Cc1ccc(F)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccc(F)c1 20402189 OPEBDBJQCJHBKF-KRWDZBQOSA-N 344.361 3.517 0 50 EHAA CC(C)(C)OC(=O)N1CCCCCN1C(=O)OCc1ccccc1 32911364 IKIKLNFJFSNCQR-UHFFFAOYSA-N 334.416 3.961 0 50 EHAA O=C(NCc1ccccc1Cl)c1ccc(Cn2ccnc2)cc1 32912999 GNZYZDPBKBTHFU-UHFFFAOYSA-N 325.799 3.515 0 50 EHAA Ic1cccnc1Oc1cnc2ccoc2c1 39961375 NWAMJLNYGZWHOU-UHFFFAOYSA-N 338.104 3.620 0 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CC(C)c1ccnc(NCCc2csc(-c3ccncc3)n2)n1 95362337 VJQQPFCEXFLNLT-UHFFFAOYSA-N 325.441 3.773 0 50 EHAA COc1ccccc1-c1noc(-c2ccc(N3CCCCC3=O)cc2)n1 109456775 IEOQJERZRXMHFI-UHFFFAOYSA-N 349.390 3.929 0 50 EHAA C1CCc2sc([C@H]3CCCN(CCCN4CCCC4)C3)nc2C1 119463734 FAXDBMDGVOFTPG-INIZCTEOSA-N 333.545 3.687 0 50 EHAA CC(C)(C(=O)Nc1ccncc1F)c1cccc(Br)c1 132370334 AROQKHSASPSLHB-UHFFFAOYSA-N 337.192 3.900 0 50 EHAA CCOc1ccc(-c2nc(CN3CCC[C@@H]3C(C)(C)O)cs2)cc1 136251411 MXWVWZFUMHLFOA-QGZVFWFLSA-N 346.496 3.944 0 50 EHAA Cc1noc(C)c1[C@@H](C)CC(=O)N1CCOc2c(Cl)cccc21 159305264 ZRVURRPVYSDKQD-JTQLQIEISA-N 334.803 3.864 0 50 EHAA C[C@H](C(=O)Nc1ccc2c(c1)N(C)CCO2)c1ccc(Cl)s1 177693164 FTEZZNXOAMWFGF-JTQLQIEISA-N 336.844 3.972 0 50 EHAA CC(C)c1ccc(OCC(=O)Nc2ccc(OC3COC3)cc2)cc1 189588812 WERKMJOGKJEZGI-UHFFFAOYSA-N 341.407 3.605 0 50 EHAA C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2F)CC[C@]1(O)C1CC1 222161110 CKHMNMQPQRSSEN-MEDUHNTESA-N 331.353 3.827 0 50 EHAA Cc1cc([C@@H]2CCCCN2C(=O)CCC(=O)c2ccc(F)cc2)no1 223677237 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335.407 3.585 0 50 EHAA Cn1nc(-c2ccccc2)c2c1CCN(CCCC(F)(F)F)CC2 1857687912 LIEVSLOHZMLUAY-UHFFFAOYSA-N 337.389 3.830 0 50 EHAA O=C(O)CCCCCCNC(=O)NCC1CCC2(CC1)CC2(F)F 1875291651 HLSRXTNBBORXLA-UHFFFAOYSA-N 346.418 3.536 0 50 EHAA CN(Cc1ccccc1C(F)(F)F)C(=O)NC[C@@H]1C[C@@H]1C(F)F 1875295920 VPSSTHFPVFKIRO-QWRGUYRKSA-N 336.304 3.748 0 50 EHAA Cc1cccc([C@H](CN)C(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c1 1875316825 IBSWHVBIIXKJON-LMNJBCLMSA-N 336.479 3.750 0 50 EHAA O=C(NC[C@@H]1CCCc2ccccc21)c1cc(Cc2ccccc2)[nH]n1 1875320905 ZNYYZOVHIZWTEP-SFHVURJKSA-N 345.446 3.850 0 50 EHAA COc1ccc2nc(C(=O)OCCCc3cncc(C)c3)ccc2c1 2325740039 QGYLKRRMUPUWTD-UHFFFAOYSA-N 336.391 3.736 0 50 EHAA O=C(c1ccc(O)c(-c2ccccc2)c1)N1CCC[C@@H]1c1ncc[nH]1 2325748032 GMJIJYUMOJDYCR-QGZVFWFLSA-N 333.391 3.760 0 50 EHAA CC(C)c1ccc(-c2csc(N3CC[C@]4(CCC(=O)N4)C3)n2)cc1 2325775673 ZVSRGTUTPLASIG-LJQANCHMSA-N 341.480 3.792 0 50 EHAA COc1ccncc1CC(=O)N1CCC[C@H]1c1cc(Cl)ccc1F 2325784494 NCERIISMFLAKPB-INIZCTEOSA-N 348.805 3.789 0 50 EHAA C[C@H]1COc2c(C(=O)Nc3ccc(Cl)cc3C(=O)O)cccc21 2325872444 XZKHSIXANNCJDL-VIFPVBQESA-N 331.755 3.786 0 50 EHAA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)NCc1ccc2c(c1)OCO2 351876 IWSJHAZYDPEJJX-HZMBPMFUSA-N 342.222 3.623 0 50 EHAA COc1ccccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 610284 ITPDZUDNWPUAIA-UHFFFAOYSA-N 325.286 3.732 0 50 EHAA COc1ccc2c(Cl)c(C(=O)NCc3ccccn3)sc2c1 1054182 CMCKMYPMODVANV-UHFFFAOYSA-N 332.812 3.888 0 50 EHAA O=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 2028648 AEKDEZXFPHSXNN-UHFFFAOYSA-N 331.176 3.574 0 50 EHAA Cc1ccc(-c2csc3ncnc(N4CCN(C)CC4)c23)cc1C 4747930 XGQWIMJEPZWURZ-UHFFFAOYSA-N 338.480 3.727 0 50 EHAA CCCC[C@@H](CC)C(=O)N1CCN(c2ccccc2OCC)CC1 4881561 XXMWLLYPNVJVPD-QGZVFWFLSA-N 332.488 3.950 0 50 EHAA CCN(CC)C(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(C)cc1 4949470 DQHAVTPSXTYBCU-XDJHFCHBSA-N 336.435 3.634 0 50 EHAA O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)C1=CCCC1 11844610 RBLBMVRXIOIIJR-INIZCTEOSA-N 325.387 3.615 0 50 EHAA CCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cnc2ccccc2n1 225509222 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O=C(c1ccc2ccccc2c1)[C@@H]1CCCN(C(=O)c2ccccn2)C1 12574842 VPBDDHSXFDLFLC-LJQANCHMSA-N 344.414 3.970 0 50 EHAA Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)CCC(C)C)C2 14975773 QJPYYGUMNNNTTA-KRWDZBQOSA-N 338.451 3.913 0 50 EHAA Cc1cc(=O)[nH]c(SCCCOc2cccc(C(F)(F)F)c2)n1 16381958 KAWBRKHIHQDAIQ-UHFFFAOYSA-N 344.358 3.658 0 50 EHAA O=C(NCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 16396245 XMHZFVYQHIEQKB-UHFFFAOYSA-N 342.870 3.868 0 50 EHAA CCc1c(C(=O)N2CCN(Cc3cccc(F)c3)CC2)csc1C 16604045 WTFYTBHKFXVMFH-UHFFFAOYSA-N 346.471 3.716 0 50 EHAA Cc1ccc(-n2nnc(C(=O)Nc3ccc(C(C)C)cc3)c2N)cc1 16648516 DPKFFOKXFKSAAF-UHFFFAOYSA-N 335.411 3.534 0 50 EHAA CCCC[C@@H]1CN(Cc2cnn3c(C)cc(C)nc23)C[C@H](C(C)C)O1 1875251504 PXMNYPAYMCIZSL-RTBURBONSA-N 344.503 3.762 0 50 EHAA CCc1cc(=O)oc2cc(Oc3ncncc3Br)ccc12 408513164 ZWNZLYULCSYOOH-UHFFFAOYSA-N 347.168 3.700 0 50 EHAA COc1ccc(C)cc1CC(=O)Nc1ccc(C(=O)O)c(Cl)c1 320313318 DAYBPTUXKMNGSO-UHFFFAOYSA-N 333.771 3.536 0 50 EHAA CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)O)o1 656765003 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340.814 3.503 0 50 EHAA COc1ccc(SCc2nnc(S)n2-c2ccccc2)cc1 53574 MSFBIHGWKFFJPD-UHFFFAOYSA-N 329.450 3.857 0 50 EHAA Cn1cnnc1-c1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1 382019 QTHJCYUXCGFVME-UHFFFAOYSA-N 348.740 3.666 0 50 EHAA Cc1ccc(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)c(C)c1 608393 ZMQGCLVNRVGKEX-UHFFFAOYSA-N 330.338 3.844 0 50 EHAA Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(O)cc2)cc1C 3077105 HBONSQGZWHBJPC-UHFFFAOYSA-N 348.366 3.822 0 50 EHAA CC[C@H](C)Sc1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 6702736 SHAWCFCQPLEIHR-WDEREUQCSA-N 337.470 3.835 0 50 EHAA CCOCC(=O)N(Cc1ccc(OC)cc1)Cc1cccc(C)c1 55254560 OYEJPYGPEQNSGJ-UHFFFAOYSA-N 327.424 3.569 0 50 EHAA Cc1cc2ncn(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)c2cc1C 225506748 YLBGPFDEBUKVPX-WMZOPIPTSA-N 325.456 3.834 0 50 EHAA CCOC(=O)c1c(NC(=O)c2cc(C)on2)sc2c1CC[C@H](C)C2 9204043 NHCCUHPQAOQIQE-VIFPVBQESA-N 348.424 3.598 0 50 EHAA CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(N)=O 9867059 LAKCGLYEUMUMMG-UONOGXRCSA-N 340.423 3.705 0 50 EHAA CC[C@H](C)Oc1ccc(CNCc2csc(N)n2)cc1Cl 63869599 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3.663 0 50 EHAA CCc1ccccc1NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 4487925 PEBNDHMKDYDOJO-UHFFFAOYSA-N 344.798 3.839 0 50 EHAA c1csc(-c2cc(NCCN3CCOCC3)c3ccccc3n2)c1 4541751 TYDCGMVYWOVWIU-UHFFFAOYSA-N 339.464 3.707 0 50 EHAA CCc1nnc2sc(-c3ccc(C)c(NC(=O)CC(C)C)c3)nn12 6697610 UPDPRWWHGRDTFY-UHFFFAOYSA-N 343.456 3.708 0 50 EHAA CC[C@H](C)N(Cc1cccnc1)Cc1cc2c(cc1OC)OCO2 55088114 LOEDDUMVPXFOAZ-AWEZNQCLSA-N 328.412 3.620 0 50 EHAA Cc1[nH]c2ccc(CNC(=O)c3cccc(-n4ccnc4)c3)cc2c1C 344378320 PDZKDNXBKYHYAH-UHFFFAOYSA-N 344.418 3.900 0 50 EHAA CCc1c(C(=O)N2CC[C@@H](c3sccc3C)[C@H](O)C2)csc1C 67690728 PWHLAXWLLBFWDC-GDBMZVCRSA-N 349.521 3.979 0 50 EHAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2c(C)noc2C)cc1C 33086951 VIYBBWPKEXAPEF-INIZCTEOSA-N 348.468 3.743 0 50 EHAA COC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccc(C)o1 2762525 MXDJZCSMHWBFGT-UHFFFAOYSA-N 331.349 3.948 0 50 EHAA Clc1ccccc1C1(c2ccnc(NC3CCC3)n2)CCNCC1 72421886 MXAJHYXPODQYOD-UHFFFAOYSA-N 342.874 3.764 0 50 EHAA CCOc1ccccc1NC(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 229636481 UTJTUYYUZBDINL-BZUAXINKSA-N 333.476 3.573 0 50 EHAA Cc1cc([C@@H](C)NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)oc1C 367092371 ODNMDKJLDIEQAX-LIVBEALHSA-N 326.440 3.767 0 50 EHAA CC[C@H]1COCCN1C(=O)c1ccc(Cn2ccc3ccccc32)o1 77407097 ZDOJYRZEQBYWLF-INIZCTEOSA-N 338.407 3.534 0 50 EHAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)Cc1cc(F)cc(F)c1 215304949 ZEUXNBTUXQOJOJ-UHFFFAOYSA-N 341.361 3.556 0 50 EHAA Cn1ncc(CN2CCC[C@H](COc3ccccc3F)C2)c1C1CC1 72150017 KOAGHIMUMBPDMO-HNNXBMFYSA-N 343.446 3.728 0 50 EHAA Cc1nc([C@@H](C)N(C)C(=O)CCc2n[nH]c3c2CCCC3)c(C)s1 77521491 ZQTXINZIVDEWPQ-LLVKDONJSA-N 346.500 3.514 0 50 EHAA Cc1cc([C@@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)no1 44633818 WYSVUENWBHAZLE-SFHVURJKSA-N 336.395 3.520 0 50 EHAA O=c1cc(CSc2ccc(Cl)cc2)[nH]c(-c2ccncc2)n1 18180573 NAZPPBJJNQMGTI-UHFFFAOYSA-N 329.812 3.778 0 50 EHAA COc1ccccc1CN(CC(C)C)c1cc([C@@H]2CCOC2)ncn1 426526873 MVIQLEZJJOJCKL-QGZVFWFLSA-N 341.455 3.652 0 50 EHAA COCCC(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc23)c1C 91950944 DFAFLOOZGLKLEK-AWEZNQCLSA-N 337.423 3.548 0 50 EHAA Cn1cc(Cl)c(C(=O)N2CCCC[C@H]2CCc2ccccc2)n1 91468362 CMWDVCCQJNBUIR-HNNXBMFYSA-N 331.847 3.701 0 50 EHAA CC(C)=CCC/C(C)=C/CNC(=O)c1cc(-c2cccn2C)n[nH]1 91860533 ZVDFNOBHPQEXJU-XNTDXEJSSA-N 326.444 3.838 0 50 EHAA Cc1ccc(C)c(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1 91680093 FZCMWRZWDLIPSQ-UHFFFAOYSA-N 326.484 3.670 0 50 EHAA Cc1cc(C)nc(CN(C)C(=O)c2ccc([C@@H]3CCCO3)s2)c1 91594498 SXXBRBYFBXVDRB-HNNXBMFYSA-N 330.453 3.884 0 50 EHAA Cc1nc(CC(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)cs1 244794948 QWYHVKBJWQUGSM-YOEHRIQHSA-N 332.444 3.661 0 50 EHAA C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](NC=O)CC[C@H]12 253499321 FFINRYRFPXXAGN-LCGKLAOVSA-N 347.499 3.685 0 50 EHAA biogenic Cc1nc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cs1 182847681 QMWVFNCLACMEHT-GFCCVEGCSA-N 330.379 3.504 0 50 EHAA CN(CCCOc1ccc(Cl)cc1)C(=O)c1cnc(C2CC2)nc1 294302550 CRBQLUHSVCCUMO-UHFFFAOYSA-N 345.830 3.549 0 50 EHAA CC(=O)c1cc(C(=O)NC2CCN(c3cccc(C)c3)CC2)cs1 299786307 KRKSIJKBNGNXAE-UHFFFAOYSA-N 342.464 3.658 0 50 EHAA Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@H]3CNC[C@H]32)c1 299797223 MQMPLMPOBBHSMX-MAUKXSAKSA-N 337.423 3.613 0 50 EHAA O=C(NCc1ccc(-c2cccc(Cl)c2)o1)NC1(CO)CCCC1 584891626 GQDRWPMAXJRAEO-UHFFFAOYSA-N 348.830 3.704 0 50 EHAA COc1ccc(/C=C/CN2CCCN(Cc3cccs3)CC2)cc1 952986743 HZWNXCHOPSEUGC-GORDUTHDSA-N 342.508 3.978 0 50 EHAA c1ccc2oc(NCC3(CN4CCOCC4)CCCCC3)nc2c1 301582487 QBQANQKWEFQXRH-UHFFFAOYSA-N 329.444 3.522 0 50 EHAA COc1c(F)cc(N[C@@H](C)c2cccc(N3CCOCC3)c2)cc1F 271915507 BGTLLYYELMTHJK-ZDUSSCGKSA-N 348.393 3.983 0 50 EHAA CN(Cc1nccs1)[C@@H]1CC12CCN(C[C@H]1CC=CCC1)CC2 275841251 WCQGGTWAUDFTMP-DLBZAZTESA-N 331.529 3.786 0 50 EHAA O=C(CSc1ccccc1)Nc1csc(-c2ccncc2)n1 170596302 VDNNDMNXZNEIDQ-UHFFFAOYSA-N 327.434 3.936 0 50 EHAA Clc1ccc(OC[C@@H]2CCCCO2)c(NC2CCOCC2)c1 187807856 QYCBKDKWFXUJRB-HNNXBMFYSA-N 325.836 3.879 0 50 EHAA Cc1cc([C@@H]2CCCN2Cc2ccc3oc(C(=O)O)cc3c2)no1 738379650 OTIGCCWQWXLSNM-HNNXBMFYSA-N 326.352 3.765 0 50 EHAA Cc1ccc(NC(C)(C)C(=O)NC[C@@H](C)N(C)c2ccccc2)cc1 1506398671 PXXAABKJWZZLEK-QGZVFWFLSA-N 339.483 3.827 0 50 EHAA COc1ccccc1C(=O)Nc1nnc(/C=C/c2ccccc2)s1 5018436 ZGNAUGNBKRUNSZ-VAWYXSNFSA-N 337.404 3.969 0 50 EHAA Cc1ccc2c(c1)[C@@H](Nc1ccc(C(=O)N(C)C)cn1)CC(C)(C)O2 1704339721 JXRQNBOLYZUMBZ-INIZCTEOSA-N 339.439 3.806 0 50 EHAA COC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 5141675 IAUMNRCGDHLAMJ-SNVBAGLBSA-N 341.285 3.833 0 50 EHAA Cc1cccc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1 16602234 LDLBYLRUAOUBBL-UHFFFAOYSA-N 346.833 3.746 0 50 EHAA CN1C[C@H](n2ccnc2-c2cccc(Oc3ccccc3)c2)CC1=O 1857678519 ZLZHDQSCQQPJSH-MRXNPFEDSA-N 333.391 3.746 0 50 EHAA Cc1ccccc1C1CCN(C(=O)[C@H](C)c2c(C)n[nH]c2C)CC1 131675650 OKTBVLUZNWRSNG-CQSZACIVSA-N 325.456 3.845 0 50 EHAA C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1N)c1cccc(Cl)c1Cl 262611294 BAUQEYBRMBCXOB-YXRHHCIQSA-N 327.255 3.544 0 50 EHAA O=C(O)c1ccc(C(=O)N(Cc2c(F)cccc2F)C2CC2)s1 263572026 KHNMJXWYDXIKHN-UHFFFAOYSA-N 337.347 3.529 0 50 EHAA CCC[C@H](C(=O)O)n1ccc(NC(=O)c2ccc(C)cc2Cl)n1 909950955 LMMLNBJUVQYPNL-CYBMUJFWSA-N 335.791 3.523 0 50 EHAA Cc1cc(C(F)(F)F)cnc1N1CC(c2cnc3ccccc3n2)C1 1875286768 FEOQBBIHHZTKCG-UHFFFAOYSA-N 344.340 3.956 0 50 EHAA Cc1ccc(C)c(OC2CCN(c3nc4cnccc4n3C)CC2)c1 1875331471 ITYDOVABADLJHX-UHFFFAOYSA-N 336.439 3.633 0 50 EHAA Cc1nc([C@H]2CCCN2c2ccnc(Cc3ccccc3)n2)[nH]c1C 895192605 IVOVIWUJVSFPLT-QGZVFWFLSA-N 333.439 3.749 0 50 EHAA Cc1cc(C)c2nc3s/c(=C/C=C/c4ccccc4)c(=O)n3c2c1 13576972 IDPILALQHSFNPI-PNTUOKEUSA-N 332.428 3.739 0 50 EHAA O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1ccncc1 22464346 NCCNRZRDEGJLHV-UHFFFAOYSA-N 332.319 3.644 0 50 EHAA CCC[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3F)c2)C1 2325706630 QBHUXBMMYHUOFZ-CYBMUJFWSA-N 333.382 3.803 0 50 EHAA Cc1ccc(CNc2ccc3c(c2)CCNC3)c(-c2cnn(C)c2)c1 2325773006 IDURGNSBQLIKEE-UHFFFAOYSA-N 332.451 3.653 0 50 EHAA c1ccc(CNc2cccc(-c3cn([C@H]4CCCNCC4)nn3)c2)cc1 2325777162 JBTFUQIHJMHYBZ-FQEVSTJZSA-N 347.466 3.872 0 50 EHAA Cc1nc2ccc(CN3CCC4(CC3)CC(C(=O)O)C4)cc2s1 2325787308 RKQNZQQMJIQCNN-UHFFFAOYSA-N 330.453 3.682 0 50 EHAA Cc1nc([C@@H]2CCCN2Cc2noc(-c3ccccc3F)n2)[nH]c1C 2325793045 DARRPWBYTVZTOV-HNNXBMFYSA-N 341.390 3.553 0 50 EHAA Clc1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cc1 102188 DHMKOPFYFDEXRD-UHFFFAOYSA-N 325.799 3.787 0 50 EHAA CC(=O)c1cccc(NC(=O)COc2ccccc2Br)c1 141223 MUIVGIWQLNVOEI-UHFFFAOYSA-N 348.196 3.669 0 50 EHAA Fc1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1 453021 NNCSBSGTOLMTJN-UHFFFAOYSA-N 349.862 3.998 0 50 EHAA CCC(=O)Oc1ccc(NC(=O)CSCc2ccccc2)cc1 467153 ASJILOZEZJBFGA-UHFFFAOYSA-N 329.421 3.874 0 50 EHAA CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 998291 DZKYPXIHGRRSIQ-LLVKDONJSA-N 332.787 3.704 0 50 EHAA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cc(C)on1 1054358 LYDHSIPFVAMRHG-UHFFFAOYSA-N 342.376 3.750 0 50 EHAA C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(N)=O 1069069 QCDKGDPSNWBWDY-JTQLQIEISA-N 334.828 3.558 0 50 EHAA CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(C)cc1OC 2888525 IFOJPNCFNRMLMT-GFCCVEGCSA-N 331.865 3.610 0 50 EHAA CCCCOc1ccc(C(=O)NC(=S)Nc2cc(C)ccn2)cc1 4089535 IAMLAJWOBXSASE-UHFFFAOYSA-N 343.452 3.696 0 50 EHAA O=C(CSc1ccccc1)NC1CCN(Cc2ccccc2)CC1 4777406 HMXBWGMMGHJHRQ-UHFFFAOYSA-N 340.492 3.560 0 50 EHAA CCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1CC 6702470 DMKMCPGZLQYGAR-UHFFFAOYSA-N 332.473 3.715 0 50 EHAA CC(C)c1cnc(-c2ccc(NC(=O)NC[C@@H]3CC[C@H](O)C3)cc2)o1 225595353 ITLLPPOOLZLDKO-CJNGLKHVSA-N 343.427 3.748 0 50 EHAA COc1cc(-c2noc([C@@H]3CC(C)(C)Oc4ccccc43)n2)ccn1 417278929 HMDDGBVVPPQJGZ-CQSZACIVSA-N 337.379 3.833 0 50 EHAA CCOc1ncccc1Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1 67822188 CBNITCTWHJLREY-UHFFFAOYSA-N 345.406 3.782 0 50 EHAA FC(F)n1ccc(CNC[C@@H]2CCCCN(Cc3ccccc3)C2)n1 353069273 FSASRGKTCKFQCG-KRWDZBQOSA-N 348.441 3.670 0 50 EHAA O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(O)c(Cl)c1 143557203 QIRXZCKVNGEQES-MAUKXSAKSA-N 345.826 3.943 0 50 EHAA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Nc1ccccc1F 252476803 BWQFVRVZCJZIKD-DNVCBOLYSA-N 339.414 3.974 0 50 EHAA CN1[C@H]2CC[C@H]1CN(C(=O)Nc1cc(-c3ccccc3)ns1)CC2 252518031 XRDZNPDMARHCPZ-GJZGRUSLSA-N 342.468 3.511 0 50 EHAA Cc1nc([C@@H]2CCCN(Cc3ccccc3OC(F)(F)F)C2)no1 216148892 KRDIWFDTOGKKHF-CYBMUJFWSA-N 341.333 3.656 0 50 EHAA O=C(N[C@@H]1CCCC[C@@H]1OCc1ccccc1)c1ccn2cncc2c1 154120420 DROOHWFDVFYMSY-UXHICEINSA-N 349.434 3.592 0 50 EHAA CC(C)[C@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1nccn1C 72479010 FAYWRVMRBOSLCX-IBGZPJMESA-N 346.438 3.939 0 50 EHAA CN(Cc1cccc(OCCN2CCCCC2)c1)Cc1ccccn1 215859956 ZJKWOLVCDNJOTP-UHFFFAOYSA-N 339.483 3.578 0 50 EHAA Cc1cscc1NC(=O)c1cc(Br)cc(C(=O)O)c1 361118363 UUAFQFZZZVKPPN-UHFFFAOYSA-N 340.198 3.770 0 50 EHAA COC[C@@H](C)n1ccnc1-c1ccc(-c2nc3ccccc3n2C)o1 71551848 FASGDNBDSIESEX-CYBMUJFWSA-N 336.395 3.904 0 50 EHAA O=C(CCC1CCNCC1)N1CCC[C@@H]1Cc1ccccc1Cl 155116628 OMRNPGJQEKSGBY-QGZVFWFLSA-N 334.891 3.653 0 50 EHAA Cn1ncc2c(N[C@@H](Cc3ccccc3)c3cccs3)ncnc21 172329418 KXMSXJXSLYYKSF-HNNXBMFYSA-N 335.436 3.821 0 50 EHAA CC[C@H](NC(=O)c1ccnc(N2CCCC[C@H]2C)c1)c1ccncc1 241161294 JZRIDCKZOCGNDD-QAPCUYQASA-N 338.455 3.737 0 50 EHAA CN1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 13320478 ANUAADBCQRQPKC-UHFFFAOYSA-N 335.757 3.575 0 50 EHAA Cc1cccn2cc(Cn3ccnc3-c3ccc(-c4cc[nH]n4)o3)nc12 71760727 DRLCCJAONQETFS-UHFFFAOYSA-N 344.378 3.538 0 50 EHAA C[C@@H]1CCC[C@H](N(CCC(=O)O)Cc2ccc3c(c2)OCO3)[C@@H]1C 237516682 DRLUQCQIRSZYSQ-FMKPAKJESA-N 333.428 3.517 0 50 EHAA CS(=O)(=O)CCc1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 129590549 NHJOZLHGEYZXKN-HIFRSBDPSA-N 349.418 3.807 0 50 EHAA CCn1nc(C(C)C)cc1C(=O)N1CC(Oc2c(C)cccc2C)C1 82120765 QSWFFHSZUQSDBH-UHFFFAOYSA-N 341.455 3.547 0 50 EHAA O=C1C[C@H](c2cc(Cl)ccc2F)c2ncn(-c3cccnc3)c2N1 40288431 NSIWRQGYFWEWPE-CYBMUJFWSA-N 342.761 3.534 0 50 EHAA O=C(NCCc1cnn(-c2ccccc2)c1)c1sccc1Cl 349615722 MGRXNHVPZATNPC-UHFFFAOYSA-N 331.828 3.560 0 50 EHAA COc1ccc2c(c1)C1(CC1)CN(C(=O)Nc1ccc3c(n1)CCC3)C2 296781808 JKJVIHPIAHDHDH-UHFFFAOYSA-N 349.434 3.658 0 50 EHAA C[C@H](C1CC1)n1nccc1NC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1 297043055 XKUPOPITUNYSIO-VFTHGPRRSA-N 326.444 3.530 0 50 EHAA COc1ccc([C@@H]2CCCN2C(=O)Nc2ccncc2F)cc1OC 184228911 KOBHSJRSTIGIFN-HNNXBMFYSA-N 345.374 3.607 0 50 EHAA CCCOc1ccc([C@H](C)Nc2ccc(C(=O)N(C)C)cn2)cc1 264846039 IFBYHXQKKRIKMC-AWEZNQCLSA-N 327.428 3.745 0 50 EHAA COc1ccccc1-c1cn([C@@H](C)c2ncc(C(C)(C)C)o2)nn1 900555253 XBLIHEHKZHWMLS-LBPRGKRZSA-N 326.400 3.849 0 50 EHAA CO[C@@]1(C)CCCN(C(=O)c2sccc2Br)CC1 242106292 WIMQBPWTYFQQOL-ZDUSSCGKSA-N 332.263 3.542 0 50 EHAA Cc1cnc(COC(=O)c2cccc(SC(F)(F)F)c2)cn1 1435046128 ONNZYUCITNLAOJ-UHFFFAOYSA-N 328.315 3.754 0 50 EHAA CN(Cc1cnn(-c2ccc(F)cc2)c1)[C@@H](c1ccccn1)C1CC1 952964703 OZZVQJWJDDCIHK-HXUWFJFHSA-N 336.414 3.990 0 50 EHAA Cc1ncc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1 952872591 AKVUPZHYNQSRKC-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA Cc1cc2nc(O)[nH]c2c(NC(=O)c2csc(C(C)C)n2)c1C 952978948 UCZYEMCOHAFIQW-UHFFFAOYSA-N 330.413 3.718 0 50 EHAA Clc1ccc(-c2ncc(-c3nccn3C[C@@H]3CCCO3)cn2)cc1 82092160 FTDCOYPXQGAPKU-INIZCTEOSA-N 340.814 3.840 0 50 EHAA Cc1nc(-c2cccnc2)nc(Oc2ccc(-n3cncn3)cc2)c1C 301504366 CCFNYUYOSMPIJZ-UHFFFAOYSA-N 344.378 3.528 0 50 EHAA Cc1ccc2cc(CNC3CCN(C(=O)c4ccoc4)CC3)ccc2n1 189247336 ZXUWMIWTVTYAIK-UHFFFAOYSA-N 349.434 3.531 0 50 EHAA COc1cccc(OC)c1[S@@](=O)Cc1nc(-c2ccco2)oc1C 194640223 ALTIILDBLIUMFG-DEOSSOPVSA-N 347.392 3.568 0 50 EHAA COc1ccc(OC)c(CNc2ccc(C(=O)N3CCCC3)cc2)c1 195086358 LSRIPXDIBXLTOO-UHFFFAOYSA-N 340.423 3.552 0 50 EHAA O[C@H]1CCCN(Cc2ccc3c[nH]nc3c2)[C@H]1CCc1ccccc1 660904966 VJLNWNIYRREZCZ-SFTDATJTSA-N 335.451 3.521 0 50 EHAA Cc1cccc(NC(=O)CC(=O)N(Cc2ccc(C)s2)C2CC2)c1 1506407533 IYNSFWZSPCAFQH-UHFFFAOYSA-N 342.464 3.885 0 50 EHAA Cc1c[nH]c(CN(CCc2ccccc2)Cc2cccnc2)c(C)c1=O 1529090961 LKDZXOQKZODMIS-UHFFFAOYSA-N 347.462 3.632 0 50 EHAA CC(=O)c1cccc(CN[C@@H](C)c2cnc(-c3ccncc3)nc2C)c1 12701343 PXXKYOHXVKMEKF-AWEZNQCLSA-N 346.434 3.900 0 50 EHAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC2CCOCC2)C1 15069399 QFFPQOZLKQVAIA-SFHVURJKSA-N 325.456 3.654 0 50 EHAA O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]1c1cccs1 15836290 UGTBIAJCFVRLNI-VIFPVBQESA-N 333.887 3.989 0 50 EHAA Cc1ccc([C@H](CNC(=O)c2cccs2)N2CCC(C)CC2)o1 15860295 MIHQTVBEPSUAOQ-HNNXBMFYSA-N 332.469 3.853 0 50 EHAA Cc1ncccc1Oc1ncnc(-c2ccc3c(c2)CN(C)C3=O)c1C 1875242994 KOTSCIMIIZZWOG-UHFFFAOYSA-N 346.390 3.533 0 50 EHAA C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1 306122724 YHCODQSFLBHLDV-RBSFLKMASA-N 347.459 3.740 0 50 EHAA O[C@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2cc(-c3ccco3)on2)C1 246650630 KDIXDSUCPOUDCP-BBRMVZONSA-N 346.333 3.521 0 50 EHAA NC1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1 157655920 PVLKWFQTUYDFLF-UHFFFAOYSA-N 348.805 3.835 0 50 EHAA Cc1ncc(NC(=O)N(Cc2nc3ccccc3s2)C2CC2)cn1 930200977 IBSZGTKGJHXGQJ-UHFFFAOYSA-N 339.424 3.591 0 50 EHAA c1cc2cc(CSc3nnc(N4CCCC4)s3)ccc2cn1 952992427 DMZYUBHEBISPAJ-UHFFFAOYSA-N 328.466 3.979 0 50 EHAA Cc1cc(CNc2cccc([C@@H]3CCC(=O)N3)c2)c2c(n1)CCCC2 894922821 SBVRAPZSJMNDTD-IBGZPJMESA-N 335.451 3.832 0 50 EHAA C[C@@H](C[C@@H]1CCCCN1Cc1csc(Br)c1)C(=O)O 1776002828 GMKBTWIJFITMMI-JQWIXIFHSA-N 346.290 3.976 0 50 EHAA 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0 50 EHAA COc1ccc(OC)c(NC(=O)NCCc2cccc(Cl)c2)c1 611195 YJXLAWKGAYMKCK-UHFFFAOYSA-N 334.803 3.721 0 50 EHAA O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cn1 616682 BRAXQASEJVLCTF-LLVKDONJSA-N 335.190 3.511 0 50 EHAA COc1ccc(CCCC(=O)Nc2cccc(C(=O)O)c2)cc1C 616813 RTIIKUSDUZZCIB-UHFFFAOYSA-N 327.380 3.663 0 50 EHAA COc1ccc(C)cc1NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 621567 HXHTWUJCZBOAIQ-GFCCVEGCSA-N 328.368 3.615 0 50 EHAA Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCCCCC1 2780504 PGXUETIPJBHUBQ-JTQLQIEISA-N 337.773 3.827 0 50 EHAA C[C@H]1CCCN(CCOCCOc2ccc(Br)cc2)C1 2822069 CRDTXVYLNIOFSH-AWEZNQCLSA-N 342.277 3.576 0 50 EHAA S=C(Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1 5050038 GOYRIMSLTRVNGY-UHFFFAOYSA-N 337.920 3.987 0 50 EHAA C[C@H](c1ccc2ccccc2c1)[C@H](NC(=O)OC(C)(C)C)C(=O)O 5723125 WUVVJXQHWJQEQZ-WBMJQRKESA-N 329.396 3.921 0 50 EHAA CN1CCC[C@H](CN(CCc2ccccc2)C(=O)C2=CCCC2)C1 11843088 PGKNGKMJJUPXEU-IBGZPJMESA-N 326.484 3.510 0 50 EHAA Cc1ccc(OCCN(C)c2nncc(-c3ccccc3F)n2)cc1 12093736 SZAAUTWQSZBJQF-UHFFFAOYSA-N 338.386 3.501 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 12138817 DQZLSXUOBSQHEL-CQSZACIVSA-N 326.396 3.750 0 50 EHAA Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(C=O)cc3)C2)cc1C 12205620 OVERFAXYHIEMTJ-FQEVSTJZSA-N 336.435 3.833 0 50 EHAA Cc1nc(N2C[C@H](C)C[C@@H](C)C2)nc2c1C(=O)C[C@@H](c1ccco1)C2 12653582 GGRUSMFPYLLBGF-NFAWXSAZSA-N 339.439 3.773 0 50 EHAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 12822266 JUMNDMNNZVEUNH-INIZCTEOSA-N 330.428 3.517 0 50 EHAA in-vitro O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(F)cc1F)CCC3 17070707 GJAHAFZDUORQFV-UHFFFAOYSA-N 336.388 3.877 0 50 EHAA CC(C)Cc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)n1 18093815 RCAFCSYGCUYCJC-UHFFFAOYSA-N 340.452 3.887 0 50 EHAA CC(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccc(-c3ccco3)cc2)C1 23192000 XOERYTWTIBFCJW-UXHICEINSA-N 338.451 3.779 0 50 EHAA CC(C)(C)C(=O)N[C@H](COC(=O)c1ccccc1)Cc1ccccc1 43762743 ALGGLSOOYJJZPI-SFHVURJKSA-N 339.435 3.617 0 50 EHAA CC(C)(C)c1cn(CC2CCN(C(=O)C3CCCCCC3)CC2)nn1 48436027 MWDMYTKVPXYWNF-UHFFFAOYSA-N 346.519 3.785 0 50 EHAA CCc1ccccc1OCCN(C)C(=O)c1ccc(C(C)=O)cc1 55199597 NPRKYHWRMHQGEY-UHFFFAOYSA-N 325.408 3.603 0 50 EHAA CCCSc1ncc([C@@H]2CC(=O)Nc3cc(OCC)ccc32)cn1 65455976 BGINEHHFDMVILA-HNNXBMFYSA-N 343.452 3.852 0 50 EHAA Cc1c(-c2ccccc2)[nH]c2c(CNS(C)(=O)=O)cc(Cl)cc12 71730469 BMUDOKQONCRWHK-UHFFFAOYSA-N 348.855 3.846 0 50 EHAA Cc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)c(Cl)c1Cl 71771810 GTYCAGRMZARSJR-CQSZACIVSA-N 341.282 3.889 0 50 EHAA Cc1cc2nc(-c3ccccc3)cc(NCCc3cscn3)n2n1 72477251 WKJZTKFXUPCOMD-UHFFFAOYSA-N 335.436 3.816 0 50 EHAA CC(C)n1ccnc1CN1CCC[C@H](c2cccc(C(=O)O)c2)C1 95384454 YEWKTIMTHWJWEP-KRWDZBQOSA-N 327.428 3.542 0 50 EHAA Cc1nc([C@H](C)N(C)C(=O)Nc2ccc3ncn(C)c3c2)c(C)s1 97742989 FJFDKQPDNCTDMH-JTQLQIEISA-N 343.456 3.872 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N1CCC(Oc2ccccc2)CC1 129291732 JXHNOYAHDNPDST-UHFFFAOYSA-N 341.411 3.936 0 50 EHAA COc1ccc(C(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)nn1 156495584 VZNKVYULZXRDGD-KRWDZBQOSA-N 339.439 3.760 0 50 EHAA O=C(Nc1ccc2[nH]ccc2c1)c1cccc(OCC(F)(F)F)n1 159337761 CPLYDCZQCDHJSC-UHFFFAOYSA-N 335.285 3.756 0 50 EHAA O=C(Nc1cccc(NC(=O)C2CC2)c1)c1coc(C2CCCC2)n1 170597776 FPVDVICCMXIETQ-UHFFFAOYSA-N 339.395 3.933 0 50 EHAA CCCOc1cccc(C(=O)N(C)CCCc2nccn2CCC)c1 170613653 FQVRYNWHDNWBFE-UHFFFAOYSA-N 343.471 3.787 0 50 EHAA CCn1nccc1C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 170619099 SMYIUXABGMRAOT-KRWDZBQOSA-N 349.438 3.661 0 50 EHAA CCNCCNC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1 170676814 NJWOIANVBZKOIC-UHFFFAOYSA-N 336.794 3.611 0 50 EHAA CC/C(=C\C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(OC)cc1 178570471 MLDAVUHMRBGILE-IAURYLPPSA-N 329.440 3.562 0 50 EHAA COCCC(=O)N1CCC(N[C@@H](C)c2cc3ccccc3s2)CC1 188244581 XBRRQDBSBNEWHC-AWEZNQCLSA-N 346.496 3.579 0 50 EHAA O=C(C1=COCCC1)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 189684266 WWYIKEWGEDLKLJ-GOSISDBHSA-N 337.423 3.825 0 50 EHAA Cc1nn(C)cc1NC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 189691495 GBEZUOLNGOALKX-CYBMUJFWSA-N 347.488 3.720 0 50 EHAA Cc1n[nH]nc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 193055375 SUEZCLPNISKOFY-UHFFFAOYSA-N 335.392 3.642 0 50 EHAA C[C@@]1(C(=O)Nc2ccc(-n3ccnc3)nc2)CCCc2ccccc21 195260294 HKELISVIWITKND-HXUWFJFHSA-N 332.407 3.500 0 50 EHAA C[C@H](C[C@@H](O)c1ccco1)NC(=O)N[C@H](c1ccc(F)cc1)C1CC1 230099070 YOJFZBZGVIGODK-NJAPINKUSA-N 346.402 3.681 0 50 EHAA COc1ccccc1OC1CN(Cc2cc(C3CCCCC3)no2)C1 244787620 QAKNWCNNQXPOJY-UHFFFAOYSA-N 342.439 3.994 0 50 EHAA O=C(O)c1ccc(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 263531825 MUJCHJIGEYPPPS-WFASDCNBSA-N 345.345 3.729 0 50 EHAA COCc1noc([C@@H](C)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)n1 281963200 GHCYKTSOAGKBCA-KBRIMQKVSA-N 325.412 3.597 0 50 EHAA COc1cc(CN2Cc3cc(C)ccc3O[C@H](C)C2)cc(OC)c1O 299765557 BSQVXYDLPHLKPA-CQSZACIVSA-N 343.423 3.501 0 50 EHAA CCC1(NC(=O)c2cc(-c3cccc(Cl)c3)on2)CCOCC1 332685705 SJFSGBJQXOKXAI-UHFFFAOYSA-N 334.803 3.684 0 50 EHAA CC(C)c1ncsc1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 333633014 AORXGBVGHKQVIM-NSHDSACASA-N 326.421 3.987 0 50 EHAA O=C(N[C@H]1CCO[C@H](c2cccnc2)C1)N1CCCC12CCCCC2 334090300 NUXDXIONXOOFIF-ROUUACIJSA-N 343.471 3.810 0 50 EHAA c1nc(Nc2ccc(OCc3noc(C4CC4)n3)cc2)c2cc[nH]c2n1 361058264 DUCKLTVQOFFDQS-UHFFFAOYSA-N 348.366 3.541 0 50 EHAA O=C(Nc1ccccc1OC(F)F)N[C@@H]1CCCC12CCOCC2 374371758 LQCJXMNISSEEDY-CQSZACIVSA-N 340.370 3.759 0 50 EHAA C[C@@H]1NCCC[C@H]1C(=O)Nc1c(F)cccc1Oc1ccccc1 423164644 OQZTUSPOBKPIRU-DZGCQCFKSA-N 328.387 3.945 0 50 EHAA Cc1c(C(=O)N(Cc2nccs2)C2CC2)[nH]c2ccc(F)cc12 426633762 DAXTUZYKUHUGDM-UHFFFAOYSA-N 329.400 3.877 0 50 EHAA CC(C)(C)C[C@H](NC(=O)c1ccccc1-n1cncn1)c1cccnc1 670457317 UPXJUFUZLCPCED-KRWDZBQOSA-N 349.438 3.570 0 50 EHAA Oc1ccc2c(c1)CCN(c1nccc(Oc3ccccc3)n1)CC2 683932655 KJJUKJYOBHCAAF-UHFFFAOYSA-N 333.391 3.580 0 50 EHAA CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)c2c[nH]cc2C)C1 818026840 YVQAXGYJVUHESI-OAHLLOKOSA-N 336.439 3.713 0 50 EHAA CCn1cnnc1[C@H](C)NC(=O)c1cccc(-c2ccccc2C)c1 823592409 JFMBZWIYTPBIDL-HNNXBMFYSA-N 334.423 3.764 0 50 EHAA CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1nnc(O)c2ccccc12 885238864 IHTQXOPDHYOLDR-HNNXBMFYSA-N 347.418 3.744 0 50 EHAA COc1ccccc1[C@H]1CCC[C@@H](C)N1Cc1n[nH]c2c1COCC2 930447637 CYFPBFMPAVZQNP-AUUYWEPGSA-N 341.455 3.607 0 50 EHAA COc1ccccc1[C@H](CNC1Cc2ccccc2C1)N1CCCC1 1875262475 YOPWEKGOIDOJLK-NRFANRHFSA-N 336.479 3.589 0 50 EHAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cnc(C2CC2)s1 1875267404 ZLERGQIXIPCASO-UHFFFAOYSA-N 348.371 3.840 0 50 EHAA CCc1ccc(C(=O)C[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 31396 FLQDWYINAVROCG-KRWDZBQOSA-N 340.375 3.751 0 50 EHAA Cc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1 452182 XEJOVQOCBPGJPG-UHFFFAOYSA-N 349.253 3.884 0 50 EHAA O=C(NC(=S)Nc1cccnc1)c1cc(Cl)ccc1Cl 468225 GBSFWCFMTVSQNC-UHFFFAOYSA-N 326.208 3.515 0 50 EHAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)COc1ccccc1C 503521 MSGSXOCIYWXVBT-UHFFFAOYSA-N 337.375 3.736 0 50 EHAA COc1ccccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 1066745 ADLJAWLJIMDLAV-UHFFFAOYSA-N 349.312 3.702 0 50 EHAA COc1ccc([C@H](C)NC(=O)[C@H](C)Cc2ccccc2)cc1OC 1172655 QPZKLGDMYIJKSE-CABCVRRESA-N 327.424 3.760 0 50 EHAA COc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 2816858 GGULXVBOVWWYJW-UHFFFAOYSA-N 347.414 3.980 0 50 EHAA CCN(Cc1cnn(CC)c1)C(=O)c1c(Cl)cccc1Cl 55042157 CYAJVPSTYOKSEP-UHFFFAOYSA-N 326.227 3.872 0 50 EHAA CCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 9230817 VNOAURWVYRHCCX-AWEZNQCLSA-N 326.396 3.750 0 50 EHAA CC[C@H](C(=O)NCc1cccnc1)n1cc(C(C)=O)c2ccccc21 55284079 SBIYHKSSGIAOSW-GOSISDBHSA-N 335.407 3.506 0 50 EHAA COc1ccccc1CN(C(=O)c1ccc2[nH]c(C)nc2c1)C1CC1 55414362 MKXRIMNKMIFGRU-UHFFFAOYSA-N 335.407 3.685 0 50 EHAA COc1ccc(C2=C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1 100821926 QCVRIUZJWDGUQR-QGZVFWFLSA-N 338.798 3.996 0 50 EHAA Cc1ccccc1NC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 20418835 SNUUCXNWIFSVMC-UHFFFAOYSA-N 343.858 3.998 0 50 EHAA Cc1cc(C)n(Cc2ccc(C(=O)N(C)[C@@H](C)c3ccccn3)cc2)n1 67965343 GVESOACUIHDUAP-KRWDZBQOSA-N 348.450 3.776 0 50 EHAA Cc1ccccc1[C@@H](NC(=O)Cc1ccc([S@@](C)=O)cc1)C(C)C 253432605 LOSHYJPPUYVTFA-GBXCKJPGSA-N 343.492 3.788 0 50 EHAA CCNc1ccnc(N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)n1 72458366 LHDUAGBPOOLITO-INIZCTEOSA-N 345.878 3.638 0 50 EHAA Cc1cccc(C[C@@H](CNC(=O)c2ccc3ccccc3c2)C(=O)O)c1 237681075 AGVPKDKWMKCNTD-FQEVSTJZSA-N 347.414 3.822 0 50 EHAA O[C@@H]1CCN(Cc2ccc(Oc3cnccn3)cc2)Cc2ccccc21 375241768 LXEVRKGBWSTRJU-HXUWFJFHSA-N 347.418 3.708 0 50 EHAA Cc1noc([C@@H](C)OC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)n1 183555671 MGQZECHGLCGLRB-NXEZZACHSA-N 336.775 3.545 0 50 EHAA CCn1nccc1C(=O)N(Cc1ccccn1)Cc1sccc1C 216038826 XEYZTBKGZQQDCK-UHFFFAOYSA-N 340.452 3.511 0 50 EHAA C[C@@H]1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)c2cccnc2O1 158554995 VDSRWIMNUBMIOT-SECBINFHSA-N 340.276 3.667 0 50 EHAA Cc1ncc(C(=O)N(C)CC2(N3CCCCC3)CCCCC2)s1 72478602 UXBQISLQWWWKPF-UHFFFAOYSA-N 335.517 3.712 0 50 EHAA COc1ccc2oc(CNc3cc(Cl)c4cc[nH]c4n3)nc2c1 72425426 VUKYNNOKIPRGKX-UHFFFAOYSA-N 328.759 3.978 0 50 EHAA COc1cc(C)cc(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1C 242339334 ZGYWBRJJWACZIB-PBHICJAKSA-N 342.443 3.624 0 50 EHAA Cn1nc(-c2cccnc2)c2[nH]c(-c3ccccc3OC(F)F)nc21 48115504 BWGYCCVVJDIVNH-UHFFFAOYSA-N 341.321 3.627 0 50 EHAA COC[C@H](C)NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)cc1 426387136 SLPMORXKJZPAIG-LBPRGKRZSA-N 335.350 3.720 0 50 EHAA CCn1nc(C2CCOCC2)nc1-c1ccc2sc(C)nc2c1 96153933 YENMAAIHZVDIHQ-UHFFFAOYSA-N 328.441 3.777 0 50 EHAA Cc1ncsc1CN1CCC[C@H](c2nccn2CC2CCC2)C1 95360889 BCEMJHDFBHCPKJ-INIZCTEOSA-N 330.501 3.828 0 50 EHAA CC(C)c1nc([C@H]2CC[C@@H](O)CC2)n(-c2cccc3cccnc23)n1 244894050 YZABPAFETUTNIW-IYBDPMFKSA-N 336.439 3.957 0 50 EHAA O=C(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H](CO)CC1 294512858 KNQVGLBSQUVLBP-JTQLQIEISA-N 335.753 3.593 0 50 EHAA Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1cn(C(C)(C)C)nc1C 183447389 KCUMSXUZBHMLRN-ZDUSSCGKSA-N 327.428 3.683 0 50 EHAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)NCc1cc2ccccc2o1 567461620 WRPXJHLWCDPLIL-UHFFFAOYSA-N 340.427 3.795 0 50 EHAA CC(C)c1cc(C(=O)N[C@@H](C)c2nc(-c3ccncc3)no2)cs1 670440789 ICONMXLLUGZCEP-NSHDSACASA-N 342.424 3.808 0 50 EHAA O=C(c1cccc2ncccc12)N1CC[C@]2(C1)OCc1ccccc12 186892288 RXFNZQZHCGBZHN-OAQYLSRUSA-N 330.387 3.506 0 50 EHAA CC[C@H](CN(CC)C(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1 187411746 QGNLJKBXGGDXON-QGZVFWFLSA-N 348.450 3.923 0 50 EHAA Cc1cc(-c2ncccc2NC(=O)NC[C@H]2CCCN(C)C2)cs1 189215245 HTGIMZZFTINBAY-CQSZACIVSA-N 344.484 3.582 0 50 EHAA CN(CCc1cccc2ccccc12)C(=O)Nc1ccc(C(N)=O)cc1 194719747 WYHIJYXBWKHQAD-UHFFFAOYSA-N 347.418 3.645 0 50 EHAA COc1ccc(OC)c2c(C)cc(N[C@H](C)Cc3cc(C)[nH]n3)nc12 1529172980 ULARIZNQGFCPKW-GFCCVEGCSA-N 340.427 3.635 0 50 EHAA CN(C)CCCN1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl 5524870 UXHGLFZWHNSTGF-AWEZNQCLSA-N 333.284 3.519 0 50 EHAA COc1ccc(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)cc1 5601114 JJDVKVGTEIYKIZ-UHFFFAOYSA-N 339.420 3.764 0 50 EHAA NC(=O)C(CCN1CCCCCC1)(c1ccccc1)c1ccccc1 5849645 SLJXUJZUTPFXRJ-UHFFFAOYSA-N 336.479 3.724 0 50 EHAA CCCNC(=O)c1ccc(NC(=O)c2ccccc2OCCC)cc1 12138494 KDFDFUQPQGRLPL-UHFFFAOYSA-N 340.423 3.868 0 50 EHAA Cc1nn(-c2ccc(NC(=O)c3ccncc3)cc2)c(C)c1Cl 12507396 FLGUEQLEOWFNGP-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA O=S(=O)(NCc1cc2ccccc2[nH]1)c1ccc2ccccc2c1 17070726 BRQZAFQONVHTFC-UHFFFAOYSA-N 336.416 3.800 0 50 EHAA CCOC(=O)C(C(=O)OCC)[C@H]1C=C([Si](C)(C)C)C=CC1(C)C 169828490 LQALWXJOKWCTAF-CQSZACIVSA-N 338.520 3.745 0 50 EHAA CCn1cc([C@H]2OCCC[C@@H]2NC2CC(c3ccccc3C)C2)cn1 328653019 WSEGMKSLWGRNQB-LNHIOMRXSA-N 339.483 3.967 0 50 EHAA Cc1ccc(N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)nc1 12306081 CRXUBYIVZFGNMO-FQEVSTJZSA-N 336.483 3.524 0 50 EHAA Cc1ccccc1[C@H]1C[C@H](NC(=O)NCCc2noc3ccccc23)C1 661123335 NCJHXXLGVPDIKV-WKILWMFISA-N 349.434 3.924 0 50 EHAA c1ccc(C[C@@H]2CC[C@H](N[C@H](c3cccnc3)c3ncc[nH]3)C2)cc1 249116972 SLQKEOXTHUTSDC-YSIASYRMSA-N 332.451 3.895 0 50 EHAA COc1ccc2c(c1Cl)[C@@H](NCc1nn(C)cc1Cl)CCC2 903178305 GEFAXAZRWIHSCU-LBPRGKRZSA-N 340.254 3.903 0 50 EHAA Cc1ncc2c(n1)[C@@]1(CCCN(c3cc(C(F)(F)F)ccn3)C1)CC2 1704339845 NMSDLQNKMGYPNT-KRWDZBQOSA-N 348.372 3.683 0 50 EHAA COCc1cc(CNC[C@@H](O)c2cc3ccccc3o2)ccc1F 819036835 IBXOZXKPYRUSPG-QGZVFWFLSA-N 329.371 3.542 0 50 EHAA CN(C)CCCNc1ncnc2scc(-c3ccc(F)cc3)c12 1794969 VBXCDSNAOCXQEF-UHFFFAOYSA-N 330.432 3.861 0 50 EHAA CCc1cccc2ccc(CN3CC(Oc4nccs4)C3)nc12 2325859867 NZRBFNHCSBBKOB-UHFFFAOYSA-N 325.437 3.517 0 50 EHAA Fc1cc2nc(N3CCN(c4ccccc4)CC3)sc2cc1F 2325868660 FKLPUPSGJACYIV-UHFFFAOYSA-N 331.391 3.901 0 50 EHAA CN(C[C@@H]1CCCS1)c1nc2cc(Br)ccc2n1C 2325874288 HAOITLHWUBSLBW-NSHDSACASA-N 340.290 3.668 0 50 EHAA O=C(NC(=S)Nc1ccccn1)c1ccc(Cl)cc1Cl 128219 ZFHDINHKZACFIC-UHFFFAOYSA-N 326.208 3.515 0 50 EHAA COc1ccc(OC)c(NC(=O)c2ccccc2C(F)(F)F)c1 450230 VJSZLGKLYFNGGT-UHFFFAOYSA-N 325.286 3.975 0 50 EHAA COc1ccc(-c2nc(SC)n(C(=O)Cc3ccccc3)n2)cc1 618502 VXSOSHKXAMPMEI-UHFFFAOYSA-N 339.420 3.559 0 50 EHAA O[C@]12CCCC[C@H]1[C@H](c1ccc(F)c(Br)c1)NCC2 758957 ZJANSNICGZFVPW-CQDKDKBSSA-N 328.225 3.544 0 50 EHAA O=C(O)CCC(=O)Nc1nc(-c2cccc3ccccc23)cs1 2737012 XKKWOISOVITETD-UHFFFAOYSA-N 326.377 3.767 0 50 EHAA O=C(c1cccs1)N1CCC(N2CCCc3ccccc3C2)CC1 2356152330 YZOJQQQGNSSWSU-UHFFFAOYSA-N 340.492 3.801 0 50 EHAA COCCNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12 2749986 LPTRQWFEMMDNNB-UHFFFAOYSA-N 334.419 3.895 0 50 EHAA OCCCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12 2945470 ACTAIZGIOQXANL-UHFFFAOYSA-N 325.799 3.992 0 50 EHAA Cc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1Cl 3002746 DIQCGAFNKGHTCA-UHFFFAOYSA-N 337.206 3.557 0 50 EHAA Cc1cc(C)cc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c1 4682553 YQEGLKMWNMTDSH-UHFFFAOYSA-N 343.471 3.962 0 50 EHAA aggregator Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(C)c(C)c3)n2)c1 6697709 CIQMDXOAFHRSJB-UHFFFAOYSA-N 335.407 3.934 0 50 EHAA CCc1noc([C@H](C)NC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)n1 55168334 JDGQVMZGWLAKKT-LEXWMYLRSA-N 331.460 3.806 0 50 EHAA CSCc1ccc(C(=O)N(C)Cc2nc3ccc(C)cc3[nH]2)o1 67758049 VMEVJYMRDDFSTJ-UHFFFAOYSA-N 329.425 3.600 0 50 EHAA CC(C)[C@H]1C[C@H](Cc2nc(-c3cc[nH]c4nccc3-4)no2)CCO1 351164165 ZUHXBKUXMNNUHY-IUODEOHRSA-N 326.400 3.558 0 50 EHAA Cc1ccc(-c2ccccc2[C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCCN24)o1 12200824 WMYBGPGDLMPNEE-XERREHJYSA-N 336.435 3.623 0 50 EHAA COc1ccc(C(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)cc1 67601887 PWDBPBTZRNMRPG-UHFFFAOYSA-N 334.379 3.790 0 50 EHAA COCCC(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 171281330 VMTBDIWMQZILJY-UHFFFAOYSA-N 346.814 3.592 0 50 EHAA CC(=O)c1ccc(F)cc1NC(=O)c1cncnc1-c1ccccc1 253426494 JIGDUIXWJQFFER-UHFFFAOYSA-N 335.338 3.738 0 50 EHAA Cc1nc(C)n(C[C@H]2CCCN(Cc3ncc(C(C)(C)C)s3)C2)n1 253430378 WETVSQJYPMNGSK-HNNXBMFYSA-N 347.532 3.561 0 50 EHAA Cc1cccc(C)c1OC[C@@H](C)NCc1cccc(CN(C)C)c1 32558385 KPKMNZWSGBRCQZ-GOSISDBHSA-N 326.484 3.922 0 50 EHAA Cc1ccc2oc(C(=O)Nc3ccc4c(c3)CCCC(=O)N4)cc2n1 171561606 PBHNEPHUVUQPRU-UHFFFAOYSA-N 335.363 3.663 0 50 EHAA c1coc(-c2nnc(CN3CCO[C@H](CC4CCCCC4)C3)o2)c1 71745499 FSEAQXUPTFQHBT-OAHLLOKOSA-N 331.416 3.501 0 50 EHAA Cc1cc(N[C@@H](Cn2cccn2)c2ccccc2)n2nc(C)c(C)c2n1 72478891 KVBZPZCVJVAEKZ-SFHVURJKSA-N 346.438 3.704 0 50 EHAA COc1ccc2cc([C@@H]3CN(CCc4ccccn4)CCO3)ccc2c1 71747939 QJZBYVJVXOHUKO-QFIPXVFZSA-N 348.446 3.859 0 50 EHAA O=C(NCC1CCN(c2ccccc2)CC1)c1ccccc1Cl 366754772 QTCIRLXMBJCFIV-UHFFFAOYSA-N 328.843 3.986 0 50 EHAA COc1cc(-n2ccnc2[C@@H](C)c2ccccc2)ccc1NC(C)=O 77504593 MJNLMHIXJBPWKC-AWEZNQCLSA-N 335.407 3.991 0 50 EHAA Cc1ccc(-c2ccnc(N[C@H](C)c3nc(C(C)C)no3)n2)c(C)n1 71614083 CNXYJRQMYANJNE-CYBMUJFWSA-N 338.415 3.835 0 50 EHAA COCCC[C@@H]1CCCCN1C(=O)c1cccc(CCC(C)(C)O)c1 72480046 STWKOWYVSKJOIX-IBGZPJMESA-N 347.499 3.811 0 50 EHAA C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N[C@@H]1CCCc2sccc21 332824581 HHEVAUIODGETBK-KHIZAZIESA-N 328.437 3.947 0 50 EHAA N=C(O)OC[C@@H](Cc1ccccc1)NCc1cnc(C2CCC2)s1 496036301 NSSFCLCCGLFEPG-OAHLLOKOSA-N 345.468 3.621 0 50 EHAA O=C(O)[C@@H]1C=CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 42784413 YSQFCCXPDNQENP-CQSZACIVSA-N 349.386 3.508 0 50 EHAA CCc1cc2c(=O)n(CCc3ccc(OC)cc3)c(=S)[nH]c2s1 17072162 IASVZGKXPFURSM-UHFFFAOYSA-N 346.477 3.934 0 50 EHAA CCN(Cc1cnn(CC)c1)C(=O)N[C@H](C)c1ccc2[nH]ccc2c1 426685215 BAHCXGDLVXIQKK-CQSZACIVSA-N 339.443 3.677 0 50 EHAA Cc1cc(C)cc(CN2CCC3(CC2)Nc2ccccc2NC3=O)c1 82119920 UCCRSBJPHYIYIZ-UHFFFAOYSA-N 335.451 3.702 0 50 EHAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1ccc(C3CCCC3)s1)CC2 426555706 YJNVYLGCDBBLPE-ZYSHUDEJSA-N 335.513 3.910 0 50 EHAA CCC1(CC)C[C@@H]1CNC(=O)N(C)Cc1noc(C2CCCC2)n1 534589569 TZRHYRLZFCDOAT-CQSZACIVSA-N 334.464 3.695 0 50 EHAA CN(CCC[C@@H]1CCCO1)C(=O)NC1(c2cccc(Cl)c2)CC1 584894886 MYIPGKKBIQANQD-MRXNPFEDSA-N 336.863 3.930 0 50 EHAA Cc1cnc(CNC2CCN(c3ccc(C)c(Cl)c3)CC2)cn1 952981116 KJNHMCDXWAICAU-UHFFFAOYSA-N 330.863 3.505 0 50 EHAA C[C@@H]1CCC[C@@H]1CNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 1459543300 VTLFDKXGCFMBGH-DGCLKSJQSA-N 344.436 3.705 0 50 EHAA CC(C)n1ncc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1N 408514771 GBQBAYVMEVWQLR-SFHVURJKSA-N 346.434 3.839 0 50 EHAA Clc1ccc(CN2C[C@@H]3CC[C@H]2CN(Cc2cccnc2)C3)s1 1565509980 XJJHFIKTEBHXMT-CVEARBPZSA-N 347.915 3.893 0 50 EHAA CCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 82425412 VSSPPCXYCLZPJC-UHFFFAOYSA-N 339.391 3.732 0 50 EHAA in-vitro CC(C)N1CCC(NC(=O)CCSc2ccc(Cl)cc2)CC1 170086065 YWXLLWYEYPMYTA-UHFFFAOYSA-N 340.920 3.811 0 50 EHAA COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(C)=O)c(OC)c1 170614133 OTKGERCGJBSTTM-GOSISDBHSA-N 342.370 3.541 0 50 EHAA CC(C)c1cc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)no1 170651095 BEJVEDYBVDTADE-BQYQJAHWSA-N 326.805 3.864 0 50 EHAA C[C@@H](NC(=O)C[C@@H](C)N1CCCCC1=O)c1cccc2ccccc12 170607818 FOWYFUNLBLEFJX-HZPDHXFCSA-N 338.451 3.808 0 50 EHAA COc1ccc([C@@H]2CCCN2Cc2cc(C(=O)O)c(C)o2)cc1F 656763847 RLBFHTMMVDTANM-INIZCTEOSA-N 333.359 3.771 0 50 EHAA Cc1ccc(OCCNC2CCN(Cc3ccco3)CC2)cc1C 1506396146 HAXVEFFOGANEIM-UHFFFAOYSA-N 328.456 3.529 0 50 EHAA Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccco4)cc3n2)cc1 277348 YMFCRONRMWBXJE-PKNBQFBNSA-N 344.374 3.974 0 50 EHAA CCNc1ncc(-c2nccn2-c2ccc3nc(C(C)C)[nH]c3c2)cn1 1772811230 USOBTIVCMYPYAV-UHFFFAOYSA-N 347.426 3.761 0 50 EHAA c1ccc2c(c1)OC[C@H](c1nn3c(C4CCCCC4)nnc3s1)O2 11279324 KQIXTSXIUFQYIE-CQSZACIVSA-N 342.424 3.746 0 50 EHAA Cc1c(Cl)cccc1NC(=O)c1ccc(-n2nncc2C)cc1 11690384 VYXHSZFULMTHEC-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA Cc1c(C(=O)N2Cc3ccc(C(=O)O)cc3C2)oc2c(F)cccc12 392690527 QELDSJVOPWTUDL-UHFFFAOYSA-N 339.322 3.735 0 50 EHAA CCc1oc2ccccc2c1CC(=O)N[C@@H]1CC[C@H](OC(F)F)C1 952994838 UBEUHVFSDPURAX-NEPJUHHUSA-N 337.366 3.814 0 50 EHAA CC(C)c1ccc(C(C)C)c(NC(=O)CN2CCC[C@@H](C(=O)O)C2)c1 1875277164 BDPXICOTWOYTIG-MRXNPFEDSA-N 346.471 3.669 0 50 EHAA CNc1cccc(-c2cn(C[C@@H]3CCCC34CCOCC4)nn2)c1 1875282805 STTAPBNTOWHJIK-INIZCTEOSA-N 326.444 3.584 0 50 EHAA CC[C@@H](C)Oc1ccc(NC(=O)c2cncc(C(=O)O)c2C)cc1 1875278098 YTWQOLVNFGIKRQ-LLVKDONJSA-N 328.368 3.518 0 50 EHAA O=C(c1cccs1)N1CCC[C@H]1c1nc(-c2ccsc2)no1 888098243 IAZZFMIVJVWYMW-NSHDSACASA-N 331.422 3.837 0 50 EHAA C[C@@]1(C2CC2)COCCN1C(=O)c1cccc(Oc2nccs2)c1 890582810 KDNNQPUCSQYJGC-SFHVURJKSA-N 344.436 3.577 0 50 EHAA Cc1cc(-c2nc(-c3cc(Cl)ncc3N)no2)nn1[C@H](C)C1CC1 1776006364 SFLUPVJVKQZDKD-SECBINFHSA-N 344.806 3.510 0 50 EHAA Cc1ccc(O[C@H]2CCN(C(=O)c3cc(F)cc4ccoc34)C2)nc1 899675935 IYHAVSOABKSWAF-HNNXBMFYSA-N 340.354 3.569 0 50 EHAA COc1ccc(C(=O)c2sc(Nc3cccc(F)c3)nc2N)cc1 1427817 YQJOAGPRWKWMHW-UHFFFAOYSA-N 343.383 3.848 0 50 EHAA C[C@@H](NC(=O)c1ccc2c(=O)ccoc2c1)c1ccc2c(c1)CCC2 2325701126 CMBAEJGECZAKNO-CYBMUJFWSA-N 333.387 3.773 0 50 EHAA CN(C)Cc1ccc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)o1 1442970292 UNTREZMHDPIJKQ-UHFFFAOYSA-N 340.427 3.698 0 50 EHAA Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)o1 474254 WSOYTFGXUCWIMB-QEHWCHDUSA-N 344.436 3.525 0 50 EHAA Cc1nc(NC(=O)Cc2ccc(Cl)cc2)ccc1Br 561767 FWATZDCNXNVOBF-UHFFFAOYSA-N 339.620 3.987 0 50 EHAA Cc1cc(CNC(=O)c2cc3ccccc3oc2=O)c2ccccc2n1 1426587 AQPCZYAPOWMTKF-UHFFFAOYSA-N 344.370 3.580 0 50 EHAA C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 3616630 UYNVMODNBIQBMV-IIBYNOLFSA-N 325.452 3.769 0 50 EHAA biogenic,world O=C(c1ccco1)N1CCN(C2CCC(c3ccccc3)CC2)CC1 5092860 UUGBPZANHDWCAU-UHFFFAOYSA-N 338.451 3.764 0 50 EHAA Cc1ccc(CC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 6697300 GSXKTFFIKBBNJE-UHFFFAOYSA-N 335.407 3.555 0 50 EHAA COc1ccc2nc(NC(=O)[C@@H](C)Oc3ccccc3)sc2c1 9013705 HLOZIBUWBIAGIV-LLVKDONJSA-N 328.393 3.711 0 50 EHAA O=C(c1ccsc1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 12447372 KJMYVUQVJWMZOJ-UHFFFAOYSA-N 345.374 3.615 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3C)C2)s1 12470149 PVZOYGWMHKPFSI-HXUWFJFHSA-N 343.492 3.822 0 50 EHAA O=C(Nc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)c1ccccc1 18241253 WPXDCVOYKWSRRS-QZTJIDSGSA-N 348.402 3.619 0 50 EHAA O=C(CCC1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1 19691117 ZDWCTLDWFIRQQW-IZZDOVSWSA-N 326.484 3.814 0 50 EHAA Cc1ccc(-c2nc(CN3CCC[C@@H]3c3nonc3C)c(C)o2)o1 20783995 CAHLGFDIFSEQFD-CQSZACIVSA-N 328.372 3.580 0 50 EHAA COc1cccc(F)c1-c1nc2c(cnn2Cc2cccs2)[nH]1 48428251 NOZMOZLLVUWGFX-UHFFFAOYSA-N 328.372 3.684 0 50 EHAA CC[C@H](Nc1nc(CCN)nc2sc(C)c(C)c12)c1cccnc1 65381891 IIMLUEPQXFAAQH-AWEZNQCLSA-N 341.484 3.768 0 50 EHAA Cc1nc(C2CC2)ncc1C(=O)N(C/C=C/c1ccccc1)C1CC1 65492782 UMWMDXBPBYPBJV-VMPITWQZSA-N 333.435 3.980 0 50 EHAA c1cn(CCc2c[nH]cn2)c(-c2ccc([C@H]3CCCCO3)s2)n1 67515032 PRKKSDJQQPCCSP-CQSZACIVSA-N 328.441 3.819 0 50 EHAA Cc1ncc(C)c(N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)n1 67674861 XSQAORIAYBQWJW-UHFFFAOYSA-N 347.466 3.791 0 50 EHAA COc1cccc2c(C)cc(-c3cc(C)cc4c3O[C@@H](CN)C4)nc12 67740886 ANKCHQFRKPLRHC-OAHLLOKOSA-N 334.419 3.789 0 50 EHAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3ccccn3)C2)cc1 67982888 FQJPMTCJLUGAAA-KRWDZBQOSA-N 346.434 3.800 0 50 EHAA CC(=O)N[C@@H]1CN(Cc2cc(C)cc(F)c2)C[C@H]1c1ccc(C)cc1 77470595 KESOJCPFBOQVFV-LEWJYISDSA-N 340.442 3.547 0 50 EHAA c1ccc2c(c1)oc1c(-c3cn(CCc4c[nH]cn4)nn3)cccc12 91635953 YJVOOOXURXQXFE-UHFFFAOYSA-N 329.363 3.810 0 50 EHAA Cc1cc([C@@H]2CCCCN2C(=O)CC2CCN(C(C)C)CC2)no1 95519800 XPTQDSIDIUPFGU-SFHVURJKSA-N 333.476 3.547 0 50 EHAA C[C@@H](c1nc(C2CC2)no1)N1CC[C@H](Oc2ccccc2Cl)C1 128712790 SAOODOZARJFBGS-AAEUAGOBSA-N 333.819 3.815 0 50 EHAA Cc1nccn1-c1ccc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)cn1 129372723 LZTPYZUNFXVPAW-GJZGRUSLSA-N 338.377 3.786 0 50 EHAA CCn1ccnc1-c1cccc(NC(=O)c2ccccc2COC)c1 157200415 YRZMSYKEXRRXCT-UHFFFAOYSA-N 335.407 3.969 0 50 EHAA C[C@H]1CCCCN1C(=O)c1ccc(NCc2ccnn2C)cc1Cl 180380803 FTCUVWLUMHFDRZ-ZDUSSCGKSA-N 346.862 3.700 0 50 EHAA Cc1nccn1CCN(C)Cc1cnn(-c2ccc(C(C)C)cc2)c1 216085597 OUXRXPDTVCQUOT-UHFFFAOYSA-N 337.471 3.633 0 50 EHAA C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(C2CC2)no1 223255443 UZHLIXVVIZRTAB-JTQLQIEISA-N 331.441 3.768 0 50 EHAA O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)[C@@H]1[C@H]2CCC[C@H]21 247447731 ORIFKBDRRRBMFI-MXSMSXNCSA-N 326.827 3.987 0 50 EHAA CN(CCCC1CCCC1)c1cc([C@H]2C[C@H](N)C2)nc(C2CC2)n1 252519055 AVKBSPIARMFXRZ-QAQDUYKDSA-N 328.504 3.965 0 50 EHAA CCc1cccc(CN2CCC(NC(=O)c3ccccc3C)CC2)c1 252523088 BWGGUKCAQCNBRS-UHFFFAOYSA-N 336.479 3.952 0 50 EHAA CC(C)(C)C1=CCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 271454241 OSOIOJJXJWLUOF-UHFFFAOYSA-N 339.443 3.537 0 50 EHAA C[C@@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F 283264117 WFKCVEKZNHNASV-HUUCEWRRSA-N 344.405 3.778 0 50 EHAA CN(C(=O)Cn1c(C2CCCCC2)nc2ccccc21)c1cnccn1 289064642 RLWGXCMXSYHZRU-UHFFFAOYSA-N 349.438 3.537 0 50 EHAA CCOc1ccc(CCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 299102538 TXIWRGAKRYGXJR-CQSZACIVSA-N 329.362 3.819 0 50 EHAA Cc1noc2ncc(NC(=O)c3ccc([C@H]4CCCOC4)cc3)cc12 329483918 FKBSKVGMZKVBPW-HNNXBMFYSA-N 337.379 3.678 0 50 EHAA Cc1ccc([C@@H]2CN([C@@H](C)c3noc(-c4ccccc4)n3)CCO2)o1 367060368 BKXVXNRAZLKAGE-YOEHRIQHSA-N 339.395 3.773 0 50 EHAA Cc1nnc(NC(=O)C(C)(C)c2ccc(Cl)cc2F)n1C1CC1 671596358 GMAWKTXGXBODHC-UHFFFAOYSA-N 336.798 3.630 0 50 EHAA CC(C(=O)O)=C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 725240418 DJUAUYXNYUTHIY-UHFFFAOYSA-N 349.386 3.652 0 50 EHAA COc1cccc2c(N3CCC(c4nccc(C)n4)CC3)nccc12 827906161 URDICHQCRMKKIS-UHFFFAOYSA-N 334.423 3.726 0 50 EHAA Cc1cc(C(=O)N2CC[C@@H](C(F)(F)F)C2)c2c(C(C)C)noc2n1 888008039 OYQPTRLVIXYJQU-SNVBAGLBSA-N 341.333 3.679 0 50 EHAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1csc2c1CCCC2 1506430379 ZYLQCVAMGNNXBC-UHFFFAOYSA-N 343.427 3.915 0 50 EHAA CC[C@H](C)n1nc(C)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 1529161619 NCEUMQLZGWPROK-AWEZNQCLSA-N 340.427 3.542 0 50 EHAA CSCc1nc([C@H]2CCN3CCC[C@@H]3C2)n(-c2cccc(F)c2)n1 2325848313 DHVDYTFWDAIERW-DZGCQCFKSA-N 346.475 3.611 0 50 EHAA CC1CCC(O)(CNC[C@@H](O)c2ccc(-c3ccccc3)cc2)CC1 2325852736 QOGUWLZRIAQAKK-PDRFFQIWSA-N 339.479 3.918 0 50 EHAA O=C(Cc1ccccc1)Oc1ccc(OC(=O)Cc2ccccc2)cc1 457694 FQILKOJNMPKIGU-UHFFFAOYSA-N 346.382 3.983 0 50 EHAA O=C1N[C@](C(=O)c2ccccc2)(c2ccccc2)Nc2ccccc21 4772961 OMLFEGNJZDAUJA-NRFANRHFSA-N 328.371 3.578 0 50 EHAA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)OCc1ccccc1 4841227 VYWJVIKPXAUSPE-UHFFFAOYSA-N 346.814 3.925 0 50 EHAA Cc1ccccc1C[C@H](NCc1ccc(-n2cncn2)cc1)C1CC1 342685991 FUTKEYOFMNUMJO-NRFANRHFSA-N 332.451 3.687 0 50 EHAA CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)c1c(F)cccc1F 133560736 QFIXIVLGPFYXLD-QGZVFWFLSA-N 343.377 3.520 0 50 EHAA Cc1ccc(NC(=O)CC(=O)N[C@@H](C)c2ncccc2C)cc1Cl 65526103 UWJVQNANMMAJDB-ZDUSSCGKSA-N 345.830 3.558 0 50 EHAA Cc1ccsc1CN1CC[C@H](CNC(=O)Nc2ccccc2)C1 67692206 ACVQGDUDLDBOMC-OAHLLOKOSA-N 329.469 3.700 0 50 EHAA C[C@@]1(O)CCN(C(=O)c2ccc3[nH]ccc3c2)C[C@@H]1Cc1ccccc1 67804885 RSEAJFMCHCATDB-SIKLNZKXSA-N 348.446 3.624 0 50 EHAA O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 247827112 JITXHHIYPURTLM-OAGGEKHMSA-N 339.391 3.518 0 50 EHAA O=C(c1ccccc1F)N1CCC[C@@H](COc2ccc(F)cc2)C1 62557206 MVVKRWQCFBGAHL-CQSZACIVSA-N 331.362 3.896 0 50 EHAA CC(C)Cn1cncc1Cn1cnc(-c2ccccc2)c1-c1ncc[nH]1 67840402 WCKSHQVCSOCFSG-UHFFFAOYSA-N 346.438 3.841 0 50 EHAA CCOC(=O)c1c(C)nn(-c2ccnc3cc(Cl)ccc23)c1C 1406476 MDFGTHLKURMIBS-UHFFFAOYSA-N 329.787 3.867 0 50 EHAA Cc1ccn2cc(C(=O)N3CCC(Oc4ccccc4C)CC3)nc2c1 77321829 BCDOHXYCMMWACL-UHFFFAOYSA-N 349.434 3.635 0 50 EHAA Cc1nnc(CN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)n1C 253425966 KLBGURFNZXMNCF-UHFFFAOYSA-N 337.254 3.720 0 50 EHAA CCOC[C@H]1CCN(C(=O)c2cc3cccc(C)c3nc2Cl)C1 328592802 YMKBKMOTFIGNPZ-ZDUSSCGKSA-N 332.831 3.695 0 50 EHAA CC(=O)NCC[C@@H]1CCCCN1Cc1ccc(-c2ccccc2F)o1 77423766 MOULZAQAXCPWQB-INIZCTEOSA-N 344.430 3.966 0 50 EHAA Cc1cc(CC(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)on1 71764305 NDNCMMXTYHTPNJ-MRXNPFEDSA-N 330.403 3.536 0 50 EHAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 242001124 VDCIAEHFOGAFCF-BQJWPVKWSA-N 333.472 3.558 0 50 EHAA O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1C[C@@H]1CCCO1 17071904 QFOXULJUQLOQQJ-LBPRGKRZSA-N 344.461 3.967 0 50 EHAA CC(C)Nc1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1 19301034 ZUKLSBFRBYLIOG-UHFFFAOYSA-N 334.423 3.722 0 50 EHAA CN1CC[C@@]2(CCCN(C(=O)Nc3cc(Cl)ccc3Cl)C2)C1 96150113 YYLODJVQDUJGIQ-INIZCTEOSA-N 342.270 3.943 0 50 EHAA CCN(CC)CCSC1=C(C)S(=O)(=O)c2cc(Cl)ccc21 96027430 NNRGTQSEKNJBGS-UHFFFAOYSA-N 345.917 3.891 0 50 EHAA CC(C)N(Cc1cnn(C)c1)Cc1nc(-c2ccc(Cl)cc2)no1 23339075 ZJJGKYKZSLVLNP-UHFFFAOYSA-N 345.834 3.534 0 50 EHAA Cc1nnc([C@H](C)N2CCc3sc(-c4csc(C)n4)cc3C2)o1 180881645 HIZZSQDULBGHMB-VIFPVBQESA-N 346.481 3.991 0 50 EHAA COc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c(C)c1 252488410 IRJUHBVFVHXPSP-UHFFFAOYSA-N 325.817 3.599 0 50 EHAA O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)NCc1cccnc1 253413439 UUBNDZCCYHOMKS-GOSISDBHSA-N 339.826 3.832 0 50 EHAA C[C@H](C1CC1)n1nccc1NC(=O)NCc1c(F)cccc1Cl 299796458 QLDUWXVUBRRGRA-SNVBAGLBSA-N 336.798 3.968 0 50 EHAA CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cnn2cccnc12 952978138 AXZMTAHZQYXDGG-FQEVSTJZSA-N 345.450 3.966 0 50 EHAA O=C(c1ccncc1F)N1CCCC[C@@H]1CCc1cccc(O)c1 952980804 YHHZFVMGUZBIMT-OAHLLOKOSA-N 328.387 3.554 0 50 EHAA c1ccc(CN2CCC(N3CCO[C@@H](c4ccccc4)C3)CC2)cc1 952989117 CARITMOQLYPWDD-JOCHJYFZSA-N 336.479 3.725 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ncc(-c2ccccc2)o1 274786025 MBSDUOIOZVPWBB-JYJNAYRXSA-N 326.396 3.559 0 50 EHAA Cc1nc(C2CCN(c3cc(C)c4ccc(C)c(C)c4n3)CC2)n[nH]1 1704299625 SAZBQLDTVZJVJG-UHFFFAOYSA-N 335.455 3.971 0 50 EHAA CC(C)Cc1ccc(C(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)cc1 1775979429 HYWGVQGQLUPVFR-NRFANRHFSA-N 337.467 3.728 0 50 EHAA C[C@@H]1C[C@H](OC[C@H](O)CN2CCc3ccccc3C2)CC(C)(C)C1 5073896 QUUUPSHLTILKRI-AHRSYUTCSA-N 331.500 3.637 0 50 EHAA CCCc1c(C(=O)N(C)c2ccccc2)nnn1-c1ccc(C)cc1 12274672 OXNSLEBNZBXDON-UHFFFAOYSA-N 334.423 3.805 0 50 EHAA Cc1ccnc(-n2c(C)c(C)c3c(NCc4ccco4)ncnc32)c1 13691186 LXIPNAUCYIHYAA-UHFFFAOYSA-N 333.395 3.946 0 50 EHAA C[C@H]1CN(CCOc2ccc(Br)cc2Cl)C[C@@H](C)O1 16247288 BONSDELIHFKTAA-PHIMTYICSA-N 348.668 3.591 0 50 EHAA O=C(Cc1noc(-c2cccc(F)c2)n1)Nc1cccc(Cl)c1 16579141 MWQAQLHOTDQPDR-UHFFFAOYSA-N 331.734 3.710 0 50 EHAA CCC[C@@H](C)n1ncc2[nH]c(-c3ccc(OCC)c(CO)c3)nc21 19228027 JFAFNHOKKYYDBI-GFCCVEGCSA-N 328.416 3.679 0 50 EHAA Cc1nc(C)c(CC(=O)NCc2cccc(OC(F)(F)F)c2)s1 19635411 KTDRNMDEXZXKJN-UHFFFAOYSA-N 344.358 3.517 0 50 EHAA CCCOc1ccc(CNC(=O)c2cnc(O)c3ccccc23)cc1 241897333 TXSPUJQLKGYRSV-UHFFFAOYSA-N 336.391 3.659 0 50 EHAA O=C(O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 261671392 GZYNMIDSINQSAQ-LLVKDONJSA-N 333.771 3.537 0 50 EHAA C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cccc(C(=O)O)n1 262197697 UGIFIUSUBDGQRR-VXGBXAGGSA-N 346.814 3.697 0 50 EHAA CC(C)c1ccc(C(=O)N2CCOc3ccccc3[C@H]2C)c(O)n1 826761816 AXFVSKVLZXNMNQ-CYBMUJFWSA-N 326.396 3.506 0 50 EHAA O=C(Nc1cncc(Cl)c1)N1CCCO[C@H](c2ccccc2)C1 932114515 RTBNXAAFHYUAPX-INIZCTEOSA-N 331.803 3.731 0 50 EHAA CC[C@@H](NC[C@H](CO)Cc1ccccc1C)c1ccccc1OC 2325742219 TVPKJCAHPCLBNT-YLJYHZDGSA-N 327.468 3.896 0 50 EHAA C(=C/c1ccncc1)\CN[C@@H]1CCc2nc(-c3ccccc3)cn2C1 2325743870 DANFMICGSRVYFL-VZSQWMKGSA-N 330.435 3.563 0 50 EHAA Cc1cc(-c2cccc(CN3CCN(C)CC3)c2)cc2ccc(O)nc12 2325755648 AZIIQQUHYYUHRR-UHFFFAOYSA-N 347.462 3.663 0 50 EHAA O=C(CCC(=O)c1cccs1)N[C@H]1CCCc2cc(O)ccc21 2325786624 JBAAKTDEROMJFG-HNNXBMFYSA-N 329.421 3.610 0 50 EHAA Cn1ccnc1[C@@H]1CCCN(Cc2cc3c(O)cccc3s2)C1 894573946 YAOZBQUFRHTKJM-CYBMUJFWSA-N 327.453 3.720 0 50 EHAA CN(C)C(=O)Oc1c(Br)cc(Cl)c2cccnc12 106737 NGFUKOHXTKSCTP-UHFFFAOYSA-N 329.581 3.711 0 50 EHAA CC(=O)N(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 258558 IGAMOUDAQYMQFX-UHFFFAOYSA-N 344.219 3.735 0 50 EHAA CC[C@H](c1ccc2cc(OC)ccc2c1)[C@@H](CC(=O)O)C(=O)OC 393191 UCKVSTWLDCKQLF-IAGOWNOFSA-N 330.380 3.606 0 50 EHAA COc1ccc(Cc2noc(-c3ccccc3Cl)n2)cc1OC 443013 YIVKYUUGIHGOGX-UHFFFAOYSA-N 330.771 3.998 0 50 EHAA CC(=O)Nc1ccc(NC(=O)COc2c(C)cc(C)cc2Cl)cc1 443635 NJNCFIQXFKUNEW-UHFFFAOYSA-N 346.814 3.933 0 50 EHAA Cc1ccc(-n2c(N)c(C(=O)NCc3ccco3)sc2=S)cc1 463331 ALGZJIRUIRPIBH-UHFFFAOYSA-N 345.449 3.682 0 50 EHAA CC(C)C[C@@H]1C[C@@](C)(C(=O)CSc2nc3ccccc3[nH]2)OC1=O 497184 ZKFXBZCHWHGLSR-XIKOKIGWSA-N 346.452 3.592 0 50 EHAA O=C1O[C@](Cl)(C(Cl)(Cl)Br)C(Cl)=C1Cl 3075340 CPQSNKPSBAQYBF-BYPYZUCNSA-N 349.222 3.694 0 50 EHAA O=C1N(C2CC2)CCC[C@@]12CCCN2Cc1cccc2ccccc12 2356169577 VHHJBZOZUAEOQE-QFIPXVFZSA-N 334.463 3.959 0 50 EHAA O=C(Nc1cccc(Br)c1)C(=O)c1c[nH]c2ccccc12 4163214 MIZFMAITPACEGK-UHFFFAOYSA-N 343.180 3.752 0 50 EHAA O=C(Nc1nccs1)c1nnn(-c2ccccc2)c1-c1ccccc1 8021832 FDWPOSSKRZBXIN-UHFFFAOYSA-N 347.403 3.643 0 50 EHAA CSc1ccc(CN(CCO)C(=O)CCc2cccc(F)c2)cc1 55308815 HNQPBBCPCYDKPV-UHFFFAOYSA-N 347.455 3.501 0 50 EHAA COCc1cc(N2[C@H]3CC[C@@H]2C[C@H](c2ccc(F)c(C)c2)C3)ncn1 102210303 DSWRCCNDOHHHIK-VBUUOAMHSA-N 341.430 3.986 0 50 EHAA O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1nncs1 21214356 PPECEZKQMVTNLD-UHFFFAOYSA-N 334.404 3.799 0 50 EHAA CC[C@H](CO)N(Cc1ccsc1)C(=O)c1cccc2cccnc12 55403775 DFQBEBUVYUGFBT-MRXNPFEDSA-N 340.448 3.710 0 50 EHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cn(C)nc2C)ccc1F 102180554 UWGLHXVPOOQENS-BJWYYQGGSA-N 341.430 3.727 0 50 EHAA C/C=C(\C)CN1CCC[C@H](N(C)CCc2ccc(OC)c(OC)c2)C1 23375289 XJHSWCDZCOBBLF-LDCDQMDXSA-N 346.515 3.609 0 50 EHAA Cc1ccc(-c2nc(NC(=O)c3cn(C)nc3C)sc2C)cc1 2771848 PFEYMWQRHVTAAR-UHFFFAOYSA-N 326.425 3.721 0 50 EHAA O=S(=O)(Nc1ccc(-n2cccc2)cc1)c1ccc(Cl)cc1 3997379 IKIQUDPVVNVCFP-UHFFFAOYSA-N 332.812 3.932 0 50 EHAA COCC[C@@]1(C(=O)O)CCCN(c2ccnc3cc(Cl)ccc23)C1 71753980 LCEAPHUZYWJYSR-SFHVURJKSA-N 348.830 3.596 0 50 EHAA O=C(Nc1cc(Cl)cc2c1OCC2)N1CCCC[C@@H]1c1cn[nH]c1 120511283 ITEJUHGUKLNTQD-OAHLLOKOSA-N 346.818 3.757 0 50 EHAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)CCc1ccccc1F 72410857 LSCMHMWAMPAJIR-UHFFFAOYSA-N 337.398 3.603 0 50 EHAA Cc1ccccc1Cn1nc(C)c(NC(=O)NC2CCCC2)c1C 13331484 JRIOJGQHFZYUSH-UHFFFAOYSA-N 326.444 3.921 0 50 EHAA O=C(O)c1cccc(CC2CCN(Cc3cccc(O)c3)CC2)c1 72169499 USZWNENBHCLMFA-UHFFFAOYSA-N 325.408 3.545 0 50 EHAA O=C(CCn1cnc2ccccc21)N1CC[C@@H](c2ccc(F)cc2)C1 77460106 RXSVRCMLIBUJQH-MRXNPFEDSA-N 337.398 3.582 0 50 EHAA Cc1nc(-c2cccc(NC(=O)[C@@H]3CC[C@H](C(=O)O)C3)c2)cs1 261994999 PJDXMJDANURVCF-OLZOCXBDSA-N 330.409 3.558 0 50 EHAA CCc1nc(N[C@@H](c2ccccc2)c2ccco2)c2cnn(C)c2n1 72166027 VYHCTAZVGCFORX-KRWDZBQOSA-N 333.395 3.720 0 50 EHAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cn(C)c2ccccc12 223712739 QUQZFZMOHWRZGC-AWEZNQCLSA-N 325.437 3.751 0 50 EHAA Cc1cc(C(=O)N2CC(OCc3ccccc3)C2)c2cccc(C)c2n1 85474633 FUXFNOFUGSRYQB-UHFFFAOYSA-N 346.430 3.893 0 50 EHAA Cc1sc2ncnc(N[C@H](C)c3cn4ncsc4n3)c2c1C 95364660 ZOPOHZTXPVJSCH-MRVPVSSYSA-N 330.442 3.585 0 50 EHAA COc1cccc(OC[C@@H]2CCCN(c3nnc(C(C)(C)C)o3)C2)c1 92045736 PBBSTZHHCXHGDN-CQSZACIVSA-N 345.443 3.671 0 50 EHAA O=C(NC1(c2cc(F)ccc2F)CC1)c1ccccc1-c1ncc[nH]1 97480294 XBPGMZJXBMVUHW-UHFFFAOYSA-N 339.345 3.774 0 50 EHAA FC(F)(F)c1ccnc(N[C@H](Cn2cccn2)c2ccccc2)n1 92098117 ZEYDQNAQDVCKBJ-CYBMUJFWSA-N 333.317 3.545 0 50 EHAA Cc1ccc(-c2cc(C(=O)NCCc3c(F)cccc3Cl)[nH]n2)o1 91305502 SPTQIGZRTRXLHZ-UHFFFAOYSA-N 347.777 3.743 0 50 EHAA CSCCCNC(=O)N(Cc1ccncc1)Cc1ccc(C)s1 426551936 DXBSVVLOYQIMHP-UHFFFAOYSA-N 349.525 3.916 0 50 EHAA CS[C@@H]1CCCCCCCC[C@@H]2COC[C@H]2[C@H]1N1CCOCC1 247808150 BAGWWHWHYXXQCV-NCXUSEDFSA-N 341.561 3.816 0 50 EHAA biogenic COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C=C[C@@]12C 253592112 WXPAHLRADIKIAI-SUGYDSBTSA-N 332.484 3.955 0 50 EHAA CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc2c(c1)CCC2 184563823 POJNUPSGUSBCSW-UHFFFAOYSA-N 347.422 3.662 0 50 EHAA Cc1cncc(-c2ccc(I)c(Cl)c2)n1 263625106 WUPIUMRDVGLPAM-UHFFFAOYSA-N 330.556 3.710 0 50 EHAA Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc3ncnn3c2)cc1 653626622 ZMGAEKLJJIYVTO-QGZVFWFLSA-N 335.411 3.797 0 50 EHAA CN(CC(=O)N[C@@H](CC(C)(C)C)c1cccnc1)Cc1ccccc1 828000542 VAIZBVTZXZGFLF-IBGZPJMESA-N 339.483 3.807 0 50 EHAA COC(C)(C)CCC[C@H](C)CCN1CCC2(CCC(=O)NC2)CC1 670472040 GRTXGDYYDHQTDC-KRWDZBQOSA-N 338.536 3.600 0 50 EHAA COc1c(Cl)cc(Cl)cc1CNCCn1cnc(C)c1C 952988078 AQRSVPLNEGXSSO-UHFFFAOYSA-N 328.243 3.605 0 50 EHAA CN(C(=O)/C=C/c1ccc2ccccc2n1)[C@H](CCO)c1ccccc1 305698406 AVXJRJKRBXTQCH-QZMUEMGWSA-N 346.430 3.830 0 50 EHAA C[C@H](C(=O)N1CCC(c2cc(-c3ccncc3)[nH]n2)CC1)C(C)(C)C 408522814 MBRVVIBRZKSPGT-CQSZACIVSA-N 340.471 3.860 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)N[C@H](C)c3cccc(F)c3F)C2)c1 165898046 FOIPFHFJRMYLQP-ZIAGYGMSSA-N 348.397 3.577 0 50 EHAA O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc2nccn2c1 170651829 HQHDIRNBUIWSBF-UHFFFAOYSA-N 325.343 3.657 0 50 EHAA O[C@H](Cc1ccccc1)CN(Cc1ccco1)Cc1cccs1 193294492 HGYWIGQBEBMRHN-QGZVFWFLSA-N 327.449 3.947 0 50 EHAA CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1cccc(CC(=O)O)c1 653640771 HEXTUHCDWYCXJE-IBGZPJMESA-N 325.408 3.783 0 50 EHAA CC(C)c1cc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)on1 1529172315 DVORZOWNBXLZNJ-RBUKOAKNSA-N 340.423 3.790 0 50 EHAA O=C(c1ccc2c(c1)CCO2)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529152925 NOHQWLADUYYBKK-LEWJYISDSA-N 349.430 3.614 0 50 EHAA CCCO[C@@H]1CCCN(c2cc(C)c3cc(OC)c(OC)cc3n2)C1 1704308376 PIBSJLWGEXUDTL-OAHLLOKOSA-N 344.455 3.956 0 50 EHAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N[C@H](C)CCc2ccccc2)C1 5563838 JAECESZJDZEUAG-BPQIPLTHSA-N 329.440 3.571 0 50 EHAA CCOC(=O)[C@@]1(CCOC)CCCN(C/C=C/c2ccc(F)cc2)C1 11998542 BQMSMHLQTAWPNK-PEAOBZDDSA-N 349.446 3.521 0 50 EHAA O=C(c1ccc(F)cc1F)N1CCC[C@@H](Nc2ccc(F)cc2)C1 12467570 GMWJYRZRKUHHOF-OAHLLOKOSA-N 334.341 3.821 0 50 EHAA O=C(C[C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCC(O)CC1 12468803 UFNQCKBDDSNYES-LJQANCHMSA-N 343.854 3.845 0 50 EHAA C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 17005570 USPYDUPOCUYHQL-GUCOWBSKSA-N 332.484 3.776 0 50 EHAA C[C@H](C(=O)Nc1ccccc1F)[S@@](=O)CC=Cc1ccccc1 1857532152 LXMOIQUKGTWIBP-FATZIPQQSA-N 331.412 3.615 0 50 EHAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc([C@@H]3C[C@H]3C)o2)cn1 328651537 VZITYGQFPCQPDD-GABDYKALSA-N 342.443 3.569 0 50 EHAA Cc1ccccc1[C@H]1C[C@@H](C)N(Cc2ccc(OCC(=O)O)cc2)C1 902519457 BPIXHVZKNZTOED-AEFFLSMTSA-N 339.435 3.836 0 50 EHAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3cccc4[nH]ccc34)C1)CC2 1704325683 POAPBGCSAJOZSV-NRFANRHFSA-N 332.451 3.746 0 50 EHAA CCO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)C1 930785171 QPFYWNAQNWWCQV-INIZCTEOSA-N 327.384 3.517 0 50 EHAA O=C(Nc1cnn(C2CCC2)c1)N[C@@H](C1CCCC1)C(F)(F)F 930829211 QXSNERVOKAFYGM-ZDUSSCGKSA-N 330.354 3.851 0 50 EHAA O=C(O)c1occc1CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 846253391 CHTROBUDAWBPJC-LBPRGKRZSA-N 339.313 3.986 0 50 EHAA Cc1cc(CNc2cccc(Br)n2)cc(N2CCCC2)n1 865817844 OCSBRMXPUHVOFN-UHFFFAOYSA-N 347.260 3.760 0 50 EHAA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)C1(C)CCCC1 952992540 PFUCOGBYHXGKQL-LBPRGKRZSA-N 343.393 3.503 0 50 EHAA C[C@H](NC(=O)/C=C/CN(C)C)c1ccc(Oc2ccccc2)c(F)c1 1875376098 ZSLQGDACSYOSTH-VSGCLNPGSA-N 342.414 3.913 0 50 EHAA O=C(CCc1ccccc1F)N1CCC(C2(C(F)(F)F)N=N2)CC1 1776005177 BEROYWJGHVUBDZ-UHFFFAOYSA-N 343.324 3.721 0 50 EHAA O=C(NC[C@@]12CCCN[C@@H]1CCC2)c1ccc2ncccc2c1Cl 2325779252 SARQSKLSNXTOIN-VQIMIIECSA-N 343.858 3.540 0 50 EHAA CC1(CN)CCC(NC(=O)NCc2ccc(Cl)cc2Cl)CC1 2325843070 SKTXKJDETOMBJK-UHFFFAOYSA-N 344.286 3.700 0 50 EHAA O=c1[nH]c(-c2ccccc2)nc(-c2ccccc2)c1Br 5037799 JWDIAOXZKTYFCH-UHFFFAOYSA-N 327.181 3.866 0 50 EHAA COc1ccc(Cl)cc1CC(=O)N(CC1CC1)c1cccnc1 135563190 MLTOIYCVBDODOZ-UHFFFAOYSA-N 330.815 3.729 0 50 EHAA CC(=O)Nc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 441784 MDDXGVXQINZNJJ-UHFFFAOYSA-N 340.423 3.960 0 50 EHAA Cc1cc(Br)c(NS(=O)(=O)c2ccccc2)cc1C 611589 JLUFJNXEXUILGY-UHFFFAOYSA-N 340.242 3.867 0 50 EHAA COc1ccccc1-c1noc(-c2ccccc2C(=O)N2CCCC2)n1 1059053 DRHDDJPFOYCQCL-UHFFFAOYSA-N 349.390 3.648 0 50 EHAA COc1ccc(CNC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 2822165 FCASITMGDWCZQQ-TZMCWYRMSA-N 328.239 3.903 0 50 EHAA CC(C)(C)NC(=O)c1ccccc1NC(=O)CSc1ccccc1 4814333 SUILIKGDIRHZIU-UHFFFAOYSA-N 342.464 3.946 0 50 EHAA CC(=O)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@@]12C 8615052 IKTWAVWPFLQACH-VYLCYAPGSA-N 326.436 3.823 0 50 EHAA Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)s1 27381076 DGVYSGPPPDMKHV-CYBMUJFWSA-N 341.436 3.921 0 50 EHAA CCN(Cc1cnc(-c2ccccc2OC)s1)C1CCOCC1 216200655 PQJMQHFFJSFFRO-UHFFFAOYSA-N 332.469 3.820 0 50 EHAA Cc1noc(CC2CCN(Cc3ccccc3C(F)(F)F)CC2)n1 216332925 KLGIIDMDBMQPRP-UHFFFAOYSA-N 339.361 3.852 0 50 EHAA COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1O 71281186 MNRDDFMXDCHHRM-ZDUSSCGKSA-N 327.384 3.836 0 50 EHAA CC(=O)Nc1ccc(CCNC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)cc1 361769907 UWPFVNDZQAPTNP-RDTXWAMCSA-N 345.487 3.702 0 50 EHAA FC(F)(F)CCc1ccnc(NCc2ccccc2-n2ccnc2)n1 71752597 WFXHTUDUOMWHHB-UHFFFAOYSA-N 347.344 3.769 0 50 EHAA COc1cc(C)c([C@H](C)Nc2cnn([C@@H]3CCOC3)c2C)cc1C 453346750 OTVVJMRIWGHCCN-GOEBONIOSA-N 329.444 3.951 0 50 EHAA c1cnc2ccc(N3CCC4(CCCN4Cc4ncc[nH]4)CC3)cc2c1 72436422 ZZIYOXCPXDNFPU-UHFFFAOYSA-N 347.466 3.593 0 50 EHAA CCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2C1CCCC1 72119401 ISHSPOJUMFZHQP-HNNXBMFYSA-N 325.412 3.871 0 50 EHAA CC1=CCN(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC1 282370702 YALFLFSZGNBSGP-UHFFFAOYSA-N 339.361 3.748 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 237505700 QCCQWSCUOODUKW-XJKSGUPXSA-N 344.405 3.831 0 50 EHAA CC[C@@]1(C(=O)O)CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1 91548710 FBJDNVWUNVZBGE-MRXNPFEDSA-N 327.783 3.505 0 50 EHAA c1ccc2sc([C@@H]3CCCN(c4nnc(C5CC5)o4)C3)nc2c1 95382059 BWEANEXKLUKIRC-GFCCVEGCSA-N 326.425 3.941 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)N1CCCNCC1 95526751 VKIOWVPCWNGNGP-SFHVURJKSA-N 342.870 3.684 0 50 EHAA Cc1ncncc1C(=O)N1CCSc2ccc(C(F)(F)F)cc21 162373368 YOTUFRIJALQUGX-UHFFFAOYSA-N 339.342 3.556 0 50 EHAA COCC1(CCNC(=O)Cc2csc(-c3ccccc3)n2)CCC1 293933027 PZRLPOJKBAIKOI-UHFFFAOYSA-N 344.480 3.676 0 50 EHAA CCn1nc(CC(C)C)cc1C(=O)NCCCc1ccc(F)cc1 91726185 XFNSMDHGMMXVOH-UHFFFAOYSA-N 331.435 3.603 0 50 EHAA CC(C)c1ccc(-c2nn3c(C4CCN(C)CC4)nnc3s2)cc1 823765980 LOCYVOAVEUGSPM-UHFFFAOYSA-N 341.484 3.785 0 50 EHAA CNc1ncccc1C(=O)N1CC[C@H](c2cccc(OC)c2)C1(C)C 1353789259 NYKLGXDXBMXZPX-QGZVFWFLSA-N 339.439 3.540 0 50 EHAA Cc1nc(C)c(C(=O)Nc2cc(NC(=O)C3CCCC3)ccc2C)o1 952974470 ZFTIVZWUNBDQPD-UHFFFAOYSA-N 341.411 3.981 0 50 EHAA N#Cc1c(N)nc2c(c1-c1cccc(C(F)(F)F)c1)[C@@H]1CC[C@H](C2)N1 75991420 GFNLAGMZZVXVDN-YPMHNXCESA-N 344.340 3.570 0 50 EHAA Cc1nc(-c2ccncc2)nc(N2CCC[C@H](c3ccccn3)C2)c1C 664125271 HOBXTIPXYJJJML-SFHVURJKSA-N 345.450 3.934 0 50 EHAA C[C@H](NC(=O)[C@@](C)(N)C1CC1)c1ccc(Oc2ccccc2)c(F)c1 170681262 SSKFGYRUBWWYTQ-RBZFPXEDSA-N 342.414 3.923 0 50 EHAA COCc1ccc([C@@H]2CCCN2[C@@H]2CCc3ccccc3NC2=O)o1 192191734 INIZJUMRPLFTJS-ZWKOTPCHSA-N 340.423 3.516 0 50 EHAA Cc1cscc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 192405490 VJZKTXUKIIBJOF-UHFFFAOYSA-N 335.856 3.834 0 50 EHAA c1ccc(CN2Cc3ccccc3C[C@H]2c2nnc3n2CCCC3)cc1 749740690 PULVVJMIJPREAK-FQEVSTJZSA-N 344.462 3.914 0 50 EHAA O=C(c1ccc2scnc2c1)N1CCOc2ccc(Cl)cc2C1 1506410800 XMYJHQFJNSHLAK-UHFFFAOYSA-N 344.823 3.985 0 50 EHAA O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 469138 CGYKPCLDXUIIOA-DHZHZOJOSA-N 326.827 3.702 0 50 EHAA CCCCCc1nc(CCCOc2ccccc2)n([C@H]2CCOC2)n1 1772808595 VMFOGKHGLZZJEP-KRWDZBQOSA-N 343.471 3.984 0 50 EHAA C[C@@]12C[C@@H]1CN(C(=O)c1cc(-c3cccnc3)nc3ccccc13)C2 1772806070 YNIXPHKGKKTNFI-VFNWGFHPSA-N 329.403 3.779 0 50 EHAA O=C(CC[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1)N1CCCC1 12584691 NVAXIDBBESLKRZ-MEDHRJKHSA-N 344.474 3.954 0 50 EHAA Cc1cc(C)c(C(=O)N2CC[C@@]3(CCCN(CC(C)(C)C)C3)C2)[nH]1 14961232 FAHCKBVAVWRBMN-HXUWFJFHSA-N 331.504 3.606 0 50 EHAA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Cc4ccncc4)cc3)C(=O)[C@@H]2C1 17986694 RJHNCKCYNUVAMZ-NIKGAXFTSA-N 334.419 3.598 0 50 EHAA CCOC(=O)C1(Cc2ccccc2)CCN(CCCSC)CC1 19742250 NBEDTJUCXAPELO-UHFFFAOYSA-N 335.513 3.628 0 50 EHAA Cc1cc(CC(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)on1 1857735704 HKZXCMUQUMRRGI-ZWKOTPCHSA-N 342.439 3.540 0 50 EHAA c1ccc2oc(CCn3ccnc3-c3cccc4ccnn34)nc2c1 1857738090 QWJHLMCQIRGYRV-UHFFFAOYSA-N 329.363 3.582 0 50 EHAA CN1CCc2cc(Cl)c(O)cc2[C@@H](c2cccc3c2OCC3)C1 3781602 SKMVRXPBCSTNKE-MRXNPFEDSA-N 329.827 3.600 0 50 EHAA in-man C[C@@H](NC(=O)N(C)Cc1cnc[nH]1)c1cccc(Cl)c1Cl 660687735 ZKURRBDOSSMVOV-SECBINFHSA-N 327.215 3.619 0 50 EHAA C=CC(=O)N(CC)CC(=O)N1CCC[C@@H]1c1cccc2ccccc12 900352753 KEJBAYABQYWOCI-LJQANCHMSA-N 336.435 3.538 0 50 EHAA C[C@@]1(CNC(=O)Nc2cscc2Br)CCCCO1 931627850 VSZAXPYIIACKNL-LBPRGKRZSA-N 333.251 3.591 0 50 EHAA CCc1nccc(C)c1NC(=O)N[C@@H]1CCCOc2ccccc21 934463792 JNXOYDQCSLIBJE-MRXNPFEDSA-N 325.412 3.988 0 50 EHAA CC1(C)[C@@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)CCC(=O)O 864218206 TVAXQOJDOAPWDW-CYBMUJFWSA-N 343.345 3.665 0 50 EHAA Cc1cnc(O)c(CN[C@H](C)Cc2c(F)ccc(Cl)c2F)c1 1875284809 NXUXIHCEHNADKN-SNVBAGLBSA-N 326.774 3.748 0 50 EHAA OCC1CCN(c2ccccc2NCc2cc(O)cc(Cl)c2)CC1 893397437 BICIQKIODAPAGO-UHFFFAOYSA-N 346.858 3.866 0 50 EHAA FC(F)c1ccc(I)c(Br)c1 238700122 VLLBUFHDSYSDBQ-UHFFFAOYSA-N 332.913 3.991 0 50 EHAA Cc1ccc(OCCSc2ncnc3[nH]cnc23)c(C(C)C)c1 3877285 OPDBGPSIRGGXRM-UHFFFAOYSA-N 328.441 3.956 0 50 EHAA Cc1cc(=N)[nH]c(SCCOc2ccc(OC(C)(C)C)cc2)n1 2325741043 FANUAWXLJUUPFA-UHFFFAOYSA-N 333.457 3.546 0 50 EHAA C[C@@H]1C[C@H](NC(=O)c2cnn(C)c2Cc2ccccc2)c2ccccc21 2325749621 VUSQYDZLZXOSPJ-QRWLVFNGSA-N 345.446 3.989 0 50 EHAA Cc1nnc(Cc2cccc(-c3ccc4c(c3)C(=O)CCCO4)c2)o1 2325778014 XJVPHVZNICQXSR-UHFFFAOYSA-N 334.375 3.991 0 50 EHAA C[C@@H](NCc1ccc2ccn(C)c2c1)c1cccc(N2CCOC2=O)c1 2325812319 GPVVVEJNTSJERW-OAHLLOKOSA-N 349.434 3.986 0 50 EHAA COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1 270151 USNPQGXWHJDZPN-UHFFFAOYSA-N 335.425 3.628 0 50 EHAA O=C(CF)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 369133 LRVVZRLQPBACRU-VIFPVBQESA-N 334.005 3.534 0 50 EHAA COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 556321 KIEOVRXYYBLZOD-UHFFFAOYSA-N 342.395 3.551 0 50 EHAA COc1ccc(NC(=O)c2ccco2)c(NC(=O)c2cccs2)c1 2845567 LTNODAZJUQZIMV-UHFFFAOYSA-N 342.376 3.854 0 50 EHAA CC(=O)Nc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 2931965 XTCSQZOSQPHURE-UHFFFAOYSA-N 336.435 3.740 0 50 EHAA C[C@H](NC(=O)[C@H](C)CC(=O)N[C@H](C)c1ccccc1)c1ccccc1 3047775 JNDAQUMQXJWVKQ-ZACQAIPSSA-N 338.451 3.767 0 50 EHAA CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1 6007688 UMXKSOXSZVVQAF-PTNGSMBKSA-N 328.824 3.944 0 50 EHAA CCOC(=O)c1[nH]c(C)c(C(=O)N[C@H](CC)Cc2ccccc2)c1C 6800471 PMFQBLBNPGLPTF-MRXNPFEDSA-N 342.439 3.559 0 50 EHAA Cc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccco2)cc1 7309693 FKZPWVFXLZVNLY-UHFFFAOYSA-N 331.393 3.572 0 50 EHAA CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)OCCO2 8496647 YOUBCEZMDXUEPJ-INIZCTEOSA-N 327.380 3.562 0 50 EHAA c1cncc(CN2CCC([C@@H]3CCN(C4CCCCC4)C3)CC2)c1 12434929 OJUWARCYHBNGDB-HXUWFJFHSA-N 327.516 3.948 0 50 EHAA Clc1ccc2nc([C@H]3CCCN3Cc3nc(C4CC4)no3)[nH]c2c1 15073990 FQSIPMRGLNHZNQ-CQSZACIVSA-N 343.818 3.814 0 50 EHAA COc1cc2c(cc1NC(=O)c1ccc(=O)[nH]c1)oc1ccccc12 15081318 VMSWVBGHJBSMNS-UHFFFAOYSA-N 334.331 3.535 0 50 EHAA CCc1ccc(-c2cc(C(F)F)c3c(C)nn(CC(=O)O)c3n2)cc1 20349781 SFMFCTLBDXFJHR-UHFFFAOYSA-N 345.349 3.991 0 50 EHAA FC(F)(F)c1ccc(-[n+]2cn3c(n2)CC[C@@H]3Cc2ccccc2)cc1 38309408 LQGWUWSAHRHEAA-QGZVFWFLSA-N 344.360 3.909 0 50 EHAA CN(C)C[C@@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 55119004 IRAUJYHZJCZBIE-LJQANCHMSA-N 338.430 3.608 0 50 EHAA CN(Cc1nc2ccccc2[nH]1)Cc1cn[nH]c1-c1ccc(F)cc1 67954541 KCHICYPSCNITMO-UHFFFAOYSA-N 335.386 3.724 0 50 EHAA CC(C)c1nnsc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 71404187 GCWCEMFGYMGSCS-CQSZACIVSA-N 337.876 3.888 0 50 EHAA O=C(O)[C@@]1(CCCc2ccccc2)CCCN(Cc2cccnc2)C1 71422173 AFCVHBTZXNTOHN-NRFANRHFSA-N 338.451 3.771 0 50 EHAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccnc3N)C2)cc1 77422717 IBMLJBQTCMIWDV-QGZVFWFLSA-N 347.466 3.742 0 50 EHAA COc1ccc(CN2CCCC[C@@H]2CCc2nccn2C)c(F)c1 77540527 MARAINZZCGTDEY-MRXNPFEDSA-N 331.435 3.555 0 50 EHAA COc1cccc([C@H]2CCCN2C(=O)Cc2c(C)nc3ccccn23)c1 82120660 WOHNHRSPJXTUIZ-GOSISDBHSA-N 349.434 3.558 0 50 EHAA CCC(=O)NCc1cccc(C[C@@H]2COc3cc(OC)ccc3C2)c1 91562673 CJUFASQMWQFWDK-KRWDZBQOSA-N 339.435 3.515 0 50 EHAA Cc1n[nH]c(C)c1CCC(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 118378052 YKVROQNFFPPFOV-BEFAXECRSA-N 343.496 3.664 0 50 EHAA CC[C@H](c1ccncc1)N(CC)C(=O)c1cc2c(s1)CCOC2 157110441 ONVAVSUARIKBMD-OAHLLOKOSA-N 330.453 3.829 0 50 EHAA CCO[C@@H]1c2c(c3ccccc3oc2=O)N=C2C=CC(Cl)=CN21 169453875 RHSNDSDIIAEVRW-MRXNPFEDSA-N 328.755 3.824 0 50 EHAA Cc1nc(-c2ccccn2)nc(N(C)CCN(C)c2ccccc2)c1C 170623502 IFFFILVFFGBIHO-UHFFFAOYSA-N 347.466 3.728 0 50 EHAA O=C(Cc1coc2cc3c(cc12)CCC3)NCC1CCSCC1 170626412 LDHZUVSUGDVNIA-UHFFFAOYSA-N 329.465 3.723 0 50 EHAA Cc1nc(C[C@@H]2CCCN(C(=O)Cc3cccc4ccccc34)C2)no1 171244379 JLHISJWYAWJZDN-INIZCTEOSA-N 349.434 3.555 0 50 EHAA O=C(N[C@@H]1CCCOC1)c1cc(-c2cccs2)nc2ccccc12 171702001 OGIKFRLPHICEIK-CYBMUJFWSA-N 338.432 3.872 0 50 EHAA COc1cc(CN(C)Cc2ccc3nonc3c2)cc(Cl)c1OC 216042264 UNIJBPWNCNACEI-UHFFFAOYSA-N 347.802 3.525 0 50 EHAA CCOc1cccc([C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)c1 221039483 DKAUKPNHISACCN-HOTGVXAUSA-N 349.427 3.653 0 50 EHAA Cc1nccn1CCCNC(=O)c1ccccc1Oc1ccccc1 223091933 PPBJJHQYBZIAOH-UHFFFAOYSA-N 335.407 3.804 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1cc(C)cc(C)c1 229850129 WLUUNDKHYAJMCU-XYVMCAHJSA-N 327.424 3.935 0 50 EHAA Cc1ccc(C2(C(=O)N[C@@H](Cc3ccccc3)[C@H]3C[C@H](O)C3)CC2)cc1 252572174 YWTPMACYBJNHKY-JBACZVJFSA-N 349.474 3.525 0 50 EHAA O=C(Nc1c[nH]nc1-c1ccccc1F)[C@H]1CCCc2cccnc21 253393046 WQLGDMRSTZJKGZ-AWEZNQCLSA-N 336.370 3.669 0 50 EHAA Cc1nc(C)c(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)o1 291250449 NKLOGRAUBIXTIR-MQMHXKEQSA-N 349.228 3.730 0 50 EHAA c1cc(C2CCC2)ccc1CNC1CCN(C[C@@H]2CCOC2)CC1 293708179 XQZXRVZJQLBXDC-SFHVURJKSA-N 328.500 3.545 0 50 EHAA CC(C)n1ncc2cc(C(=O)N3CC[C@H](c4ccccc4)C3)cnc21 299349636 SKJJARYYEMIYBS-INIZCTEOSA-N 334.423 3.642 0 50 EHAA CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(C2=Cc3ccccc3OC2)o1 299739301 NCBDRAJIGSDCSG-HOCLYGCPSA-N 326.396 3.921 0 50 EHAA OCC1CCN(Cc2cccc(N[C@@H]3CCc4ccccc43)c2)CC1 305864547 YHDSFRQAJKYIJL-JOCHJYFZSA-N 336.479 3.990 0 50 EHAA CC(C)(C)c1ccc(/C=C/C(=O)N2CCC[C@H]3C(O)=NC[C@H]32)cc1 328586487 HNBSFAGILHJCLX-ZJJGVRJWSA-N 326.440 3.575 0 50 EHAA COc1cnc(NC(=O)N2C[C@@H](C)C[C@H]2c2cccc(F)c2)s1 331583871 SLSBJYAUZODFRB-GWCFXTLKSA-N 335.404 3.906 0 50 EHAA COc1cccc(SCC(=O)N2CCC[C@@H]2c2cccnc2)c1 363465691 SONJJRYLHYKLHC-QGZVFWFLSA-N 328.437 3.546 0 50 EHAA CCOc1ccc(C(C)=O)cc1NC(=O)NCCc1ccc(C)o1 426726668 ACMXIOWSEACGKZ-UHFFFAOYSA-N 330.384 3.554 0 50 EHAA CCn1c(O)nc2cc(C(=O)N(C)Cc3ccc(Cl)s3)ccc21 665404864 SXLAXIOEFPKRSP-UHFFFAOYSA-N 349.843 3.749 0 50 EHAA Cc1nc([C@H]2CCCN2c2nccc(Oc3ccccc3)n2)[nH]c1C 895191628 BSZHAXBQPXDBNW-MRXNPFEDSA-N 335.411 3.950 0 50 EHAA CCc1cc(N2CCCC[C@H]2c2ncccn2)nc(-c2ccncc2)n1 895974571 HGVXGXLYBRQVRR-KRWDZBQOSA-N 346.438 3.623 0 50 EHAA OCCc1ccc(-c2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)cc1 904105909 GNCANRWSFGKQAT-JKSUJKDBSA-N 342.345 3.821 0 50 EHAA CO[C@H](CNC(=O)Nc1cnn(C2CCCC2)c1)c1ccccc1 914003889 VCKSJUGNYJQPQN-QGZVFWFLSA-N 328.416 3.507 0 50 EHAA CCn1ccnc1[C@H]1CCCCN1C(=O)Nc1ccc(C2CC2)cn1 933962498 PLCOKHMQFXRHHJ-MRXNPFEDSA-N 339.443 3.935 0 50 EHAA CO[C@H](C(=O)Nc1scnc1C)c1ccccc1C(F)(F)F 934747993 UQEVCPPJNHJPKQ-NSHDSACASA-N 330.331 3.797 0 50 EHAA CSc1ccc(Cl)c(C(=O)N2CCC(c3ccnnc3)CC2)c1 1775991592 LNJKIKDCQPAWIE-UHFFFAOYSA-N 347.871 3.872 0 50 EHAA COc1ccc2c(c1)OC(C)(C)C[C@H]2n1ccnc1-c1cc(C)[nH]n1 1857677827 NWTIJRIZHYIAMQ-MRXNPFEDSA-N 338.411 3.741 0 50 EHAA Cn1c(Sc2cc(=O)oc3ccccc23)nnc1-c1ccccc1 2325843937 UCROYAOQQXKFGT-UHFFFAOYSA-N 335.388 3.740 0 50 EHAA C[C@@H]1CCC[C@@H](CCNC(=O)Nc2cc(F)cc(C(=O)N(C)C)c2)C1 2325870505 ACFXJIDHMQVVIL-KGLIPLIRSA-N 349.450 3.865 0 50 EHAA c1cc(Nc2cccc(-n3cccn3)c2)cc(OCCn2ccnc2)c1 2356149523 FSPRNXCDSSHCSS-UHFFFAOYSA-N 345.406 3.891 0 50 EHAA COc1cc(C(=O)Nc2nc3ccccc3s2)cc(OC)c1OC 182074 DFIFBTUPLYZTQX-UHFFFAOYSA-N 344.392 3.574 0 50 EHAA COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 296316 DVSPKAXAAPVWJO-UHFFFAOYSA-N 336.347 3.793 0 50 EHAA Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)ccc1Br 402027 GBXVFMOXCSZQBR-VXGBXAGGSA-N 340.217 3.587 0 50 EHAA COc1cccc2cc(C(=O)NC(C)(C)CC(C)(C)C)c(=O)oc12 1058819 NFGFOYVUKMZSKJ-UHFFFAOYSA-N 331.412 3.746 0 50 EHAA biogenic CCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(C)cc1 2816786 PMCLVFFHHKOXAS-CYVLTUHYSA-N 336.435 3.682 0 50 EHAA CCCOc1ccccc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3 3957721 FKOKOJREXZYLQF-ZDUSSCGKSA-N 325.364 3.678 0 50 EHAA O=C(CSc1nnc(-c2ccccn2)o1)Nc1cccc(Cl)c1 4488130 NMBJWWPRPDAWQR-UHFFFAOYSA-N 346.799 3.516 0 50 EHAA CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N1 6755150 XEPUDGGMHMGAMU-KRWDZBQOSA-N 337.448 3.963 0 50 EHAA CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2)CC1 8700558 QKIPWYSRBGTXRG-UHFFFAOYSA-N 341.249 3.506 0 50 EHAA Cc1ncc(-c2c(-c3ccc(O)cc3O)n[nH]c2C(F)(F)F)s1 12341067 SJGNNCLWEMQMMQ-UHFFFAOYSA-N 341.314 3.939 0 50 EHAA CCCCNC(=O)N1CCC[C@@H](C(=O)c2cc(C)c(OC)c(C)c2)C1 12507468 VZRIJEFNWHKOLA-MRXNPFEDSA-N 346.471 3.716 0 50 EHAA CCOc1ccc(Nc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 13637062 MSGJNBFUSVSSMW-UHFFFAOYSA-N 335.407 3.811 0 50 EHAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NC2CCOCC2)cc1C 15075343 KGTPTEIKPZVKQT-IBGZPJMESA-N 325.456 3.635 0 50 EHAA CCc1cn[nH]c1[C@H]1CCCN(Cc2cccn2-c2nccs2)C1 19595511 RMRUQHBLWZNKLP-HNNXBMFYSA-N 341.484 3.599 0 50 EHAA O=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 20277133 CJJHVMGAWWAAHV-INIZCTEOSA-N 346.789 3.722 0 50 EHAA Cc1cccc(Cn2ncc(C)c2NC(=O)c2ccc3[nH]cnc3c2)c1 55109368 OEYDFGVQDYTPBZ-UHFFFAOYSA-N 345.406 3.677 0 50 EHAA c1ccc(CCN2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)cc1 55132917 RDENUQZDRDQPKZ-JOCHJYFZSA-N 335.495 3.612 0 50 EHAA CC(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 55531390 DTEGYTYBHJXCGL-UHFFFAOYSA-N 337.467 3.603 0 50 EHAA COc1ccc(OC)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1 55543124 SYKPMOQPUMYTKO-UHFFFAOYSA-N 346.858 3.679 0 50 EHAA CN1CCC(Cc2noc(-c3ccc([C@H]4CCCO4)s3)n2)CC1 67714054 SQZBIKXLIUUCCJ-CYBMUJFWSA-N 333.457 3.534 0 50 EHAA O=C(O)Cc1ccccc1-n1ccc(-c2cc(Cl)ccc2O)n1 67879565 UQDCYSHGKHKOIL-UHFFFAOYSA-N 328.755 3.525 0 50 EHAA CSc1ccc(-c2nc(CN3CCCN(C)CC3)c(C)o2)cc1 71753800 OUAZGUADMOBHRE-UHFFFAOYSA-N 331.485 3.509 0 50 EHAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cnn(C(C)C)c3)C2)cc1 77379431 KXBVTWCFVDGSBP-QGZVFWFLSA-N 341.455 3.704 0 50 EHAA COc1cccc([C@H]2CCCCN2C(=O)c2cc(C(C)C)nn2C)c1 82092141 RQMBQKAWJQKXNR-GOSISDBHSA-N 341.455 3.920 0 50 EHAA O=C(CCc1cccs1)N1CCC[C@@H](c2nccn2CC2CC2)C1 82092257 MKFJWMQIOCGLAW-MRXNPFEDSA-N 343.496 3.693 0 50 EHAA CCc1ccccc1OCCN1CCC[C@H](c2nccn2CC)C1 91665709 NTVAUJIFQUJHGR-SFHVURJKSA-N 327.472 3.724 0 50 EHAA 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349.434 3.849 0 50 EHAA O=C(c1cnc(-c2ccco2)s1)N1CCO[C@H](c2ccsc2)C1 176892454 YSXLALKVXUKYOF-ZDUSSCGKSA-N 346.433 3.678 0 50 EHAA CSCc1ccc(C(=O)N2CCC[C@@H]2c2nc(C(C)C)no2)o1 82127690 SAEIRFNCJIVNOA-GFCCVEGCSA-N 335.429 3.626 0 50 EHAA CNC(=O)c1ccc(OC)c(-c2cccc([C@@H](C)N3CCCC3)c2)c1 96150372 RWHMIJKCEHHXDT-OAHLLOKOSA-N 338.451 3.879 0 50 EHAA Cc1cc(C)nc(CCNC(=O)Nc2cc(C)c(F)cc2Cl)n1 95500067 UZWVPDABUCJISA-UHFFFAOYSA-N 336.798 3.559 0 50 EHAA Cc1cnccc1CN1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91737529 KDURJNYKRGDDQB-UHFFFAOYSA-N 341.499 3.537 0 50 EHAA CC[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)n2C)CCN1C(C)C 95373215 FIWJOZGVRFROEM-GOSISDBHSA-N 339.483 3.637 0 50 EHAA CC1(C)C[C@]1(C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1)c1ccc(F)cc1 248338847 SABJWVUWHRAAIN-ARGWCVDVSA-N 347.430 3.501 0 50 EHAA CC(=O)c1cc(CN2CCC([C@@H](O)c3cccs3)CC2)cs1 244734391 NEQQFTSJGCYTKD-QGZVFWFLSA-N 335.494 3.958 0 50 EHAA Cc1ccc(C)n1CC(=O)Nc1cccc(-c2nc(C(C)C)n[nH]2)c1 253411865 PFCVECLBQNNZTR-UHFFFAOYSA-N 337.427 3.652 0 50 EHAA CN(C1CCCCC1)[C@@H](c1ccccc1)c1sc2ncnn2c1O 253404446 HVTUYUVDGMMKOP-HNNXBMFYSA-N 342.468 3.850 0 50 EHAA Cc1ccc2c(-c3cccc(C(=O)N4CC[C@H](N)C4)c3)ccnc2c1C 584898609 QKPVGPVCJZQXIL-SFHVURJKSA-N 345.446 3.692 0 50 EHAA CC[C@H](c1cccnc1)N(C)C(=O)c1cc(=O)c2ccc(C)cc2o1 952969429 FEGQDEBWDLVRAC-MRXNPFEDSA-N 336.391 3.720 0 50 EHAA CCCCn1cc(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)c(C)n1 185859772 DMWALCSEKJJYKK-LBPRGKRZSA-N 331.391 3.558 0 50 EHAA C[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1ccc(NC(=O)NC2CC2)cc1 186746712 TYCGCNVFDGLJTK-HUUCEWRRSA-N 341.455 3.894 0 50 EHAA CCCOc1cc(OC)ccc1C(=O)N[C@H]1CCOc2ccccc21 189943175 WOKRBCRIMSFBMV-KRWDZBQOSA-N 341.407 3.738 0 50 EHAA COC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2 441395 KFFMLPZFMHIVBX-CMDGGOBGSA-N 331.393 3.658 0 50 EHAA COc1cccc2c(C)cc(SCC(=O)Nc3nccs3)nc12 11907540 XXSQYRDLRSSJRJ-UHFFFAOYSA-N 345.449 3.739 0 50 EHAA CCNc1ncnc2sc(C(=O)N3CCCC[C@@H]3CC)c(C)c12 12280914 DXBZIIXDXANJJS-LBPRGKRZSA-N 332.473 3.836 0 50 EHAA c1ccc(-n2nnnc2Oc2cccc(CNC3CCCCC3)c2)cc1 13717622 YWDCFDKZYUBKBN-UHFFFAOYSA-N 349.438 3.877 0 50 EHAA O=C(Nc1ccccc1)Nc1ccc(-c2nnc3n2CCCC3)cc1 169771912 NIUWILLBXMSAGW-UHFFFAOYSA-N 333.395 3.925 0 50 EHAA OCCOc1ccccc1-c1nccn1-c1ccc2sncc2c1 1857705171 WHSRNBLSOQZDPG-UHFFFAOYSA-N 337.404 3.520 0 50 EHAA CCCc1nnc(S[C@H]2CCN(c3cccc(Cl)c3)C2=O)o1 122277582 HSSCIBCPDJQBLH-LBPRGKRZSA-N 337.832 3.573 0 50 EHAA COCc1ccc([C@H]2CCCN2C(=O)Nc2ccnn2CC(C)C)o1 162097942 VUVSXEKCCGBYFQ-OAHLLOKOSA-N 346.431 3.648 0 50 EHAA O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1ccc(C(F)F)c(F)c1 935738275 AUVUBXHBOYGQSJ-JTQLQIEISA-N 339.317 3.633 0 50 EHAA Cc1ccn(-c2cccc(NCc3cc(-c4ccncc4)n[nH]3)c2)n1 1875317085 ONWMQQNCAIOCTK-UHFFFAOYSA-N 330.395 3.578 0 50 EHAA O=C(Nc1nc2ccc3scnc3c2s1)C1CC(F)(F)C1 888297785 PCKXNTYYHYJRQG-UHFFFAOYSA-N 325.365 3.890 0 50 EHAA CC(C)[C@@H](NC(=O)c1nnc2c(F)cccc2c1O)c1ccccc1 2325842348 VLTIDRKIZFZRMN-OAHLLOKOSA-N 339.370 3.602 0 50 EHAA O=C(c1ccc(-c2cccc3c2CNC3=O)cc1)c1ccccc1F 2325895284 RHVYAPPLPSOZRK-UHFFFAOYSA-N 331.346 3.967 0 50 EHAA C[C@H]1CC[C@H](NC(=O)c2ccccc2NC(=O)c2cccnc2)CC1 2325898140 UVAPFPMOZLVQQE-KOMQPUFPSA-N 337.423 3.642 0 50 EHAA COc1cc(C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1OC 35989 DFMOVWZOPBXSMW-JSGCOSHPSA-N 335.444 3.657 0 50 EHAA COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1OC 48982 BMAZWWPDYCPMNJ-UHFFFAOYSA-N 342.420 3.744 0 50 EHAA biogenic,in-vitro Cc1sc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1C 144694 FQMYJYRUNHFLLM-UHFFFAOYSA-N 340.452 3.888 0 50 EHAA O=CN(C(=O)c1ccccc1)c1ccccc1NC(=O)c1ccccc1 283847 HOWCTPBBQDRZGI-UHFFFAOYSA-N 344.370 3.742 0 50 EHAA CCC(=O)Nc1cccc(NC(=O)COc2cc(C)cc(C)c2)c1 317892 ZNUVOSIWVCZNER-UHFFFAOYSA-N 326.396 3.669 0 50 EHAA O=c1[nH]c2c(s1)[C@@H]1c3c(ccc4ccccc34)OC[C@@H]1CS2 2484970 MCQQCBMARNECTO-MFKMUULPSA-N 327.430 3.836 0 50 EHAA Cc1sc(NC(=O)Cc2cccc3ccccc23)c(C(N)=O)c1C 2832646 WKFBSIRAGVAYFT-UHFFFAOYSA-N 338.432 3.798 0 50 EHAA O=Cc1cn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 4842856 DJHUJNSTSGCGQE-UHFFFAOYSA-N 336.435 3.539 0 50 EHAA CC[C@@H](CO)N(Cc1ccc(C)s1)C(=O)c1cccc(C(C)=O)c1 55167777 KKKUMIBOCKKFSR-KRWDZBQOSA-N 345.464 3.672 0 50 EHAA COc1ccccc1CC(=O)Nc1cc(C)nn1Cc1cccc(C)c1 55037063 FMWCCFGIIDRYNP-UHFFFAOYSA-N 349.434 3.738 0 50 EHAA CC(=O)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 23281628 CZIMMFQNHFJQJG-UHFFFAOYSA-N 344.842 3.796 0 50 EHAA CCCn1cc([C@H]2CC(=O)N(c3cccc(O)c3)C2=O)c2ccccc21 100769123 GVHATQAQUAWQNN-QGZVFWFLSA-N 348.402 3.804 0 50 EHAA biogenic Cc1ccc(CN2C[C@H](c3ncc(-c4ccsc4)[nH]3)CC2=O)cc1 23159141 ANLIWMZAZWXBHM-MRXNPFEDSA-N 337.448 3.963 0 50 EHAA CCCc1nc(CNc2ncnc3sc(C(=O)O)c(C)c23)cs1 67688485 PZHLWTPPNCRZLP-UHFFFAOYSA-N 348.453 3.719 0 50 EHAA CC[C@@H](C1=CCCN(Cc2cc(F)ccc2Cl)C1)N(C)C(C)=O 65470123 IIPLBIPRFNQQFR-SFHVURJKSA-N 338.854 3.868 0 50 EHAA Cc1cc(O)ccc1NC(=O)c1ccnc(N(C)C2CCCC2)c1 253393761 PVSSIWSURWRSLN-UHFFFAOYSA-N 325.412 3.727 0 50 EHAA Cc1cccnc1[C@@H]1CCC[C@H](NCc2ncnn2C(C)(C)C)C1 253397403 XBXOBYOAKIALQH-CVEARBPZSA-N 327.476 3.553 0 50 EHAA CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)Nc1ccc(F)c(C(N)=O)c1 229745816 GIBJJELHTRRFIW-FFSVYQOJSA-N 335.423 3.507 0 50 EHAA CC1(C)Cc2cccc(NC(=O)CCc3nc(C(C)(C)C)no3)c2O1 252500944 TZZFBOXACUGVQK-UHFFFAOYSA-N 343.427 3.652 0 50 EHAA Cc1c(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cccc1OC(F)F 252506052 OQDLMXLGLOBWQN-LERXQTSPSA-N 340.370 3.531 0 50 EHAA Cc1ccc(CN2CCCC[C@H]2CCN2CCCC2=O)c(C)c1F 77539147 QWPYRSHKZDLDQG-SFHVURJKSA-N 332.463 3.810 0 50 EHAA O=C(c1cn(-c2ccccc2)nn1)N(C/C=C/c1ccccc1)C1CC1 72158465 HNTVLPFHOIRLPW-JXMROGBWSA-N 344.418 3.585 0 50 EHAA O=C(C[C@@H]1CCCN1Cc1nc(-c2ccco2)no1)c1cccs1 177397760 NRWUZFFLAHRHFF-LBPRGKRZSA-N 343.408 3.629 0 50 EHAA O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)N1CCCCCC1 426503191 MMAHRUAHANRPTK-GOSISDBHSA-N 327.403 3.896 0 50 EHAA CCN(C[C@H]1CCN(C)C1)C(=O)c1ccc(-c2ccsc2)cc1 426431125 NNZONAVUWWRTTQ-HNNXBMFYSA-N 328.481 3.829 0 50 EHAA CCNC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 91320384 NUDXACQVPXBIJT-INIZCTEOSA-N 326.444 3.513 0 50 EHAA CC(=O)c1cc(CN2CC[C@@H](Cc3cccc(CO)c3)C2)cs1 91724526 HCZUBFGFLYHGMI-INIZCTEOSA-N 329.465 3.508 0 50 EHAA Cn1ccc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)n1 181207595 JLSYIMYPWVGNLM-KRWDZBQOSA-N 345.855 3.583 0 50 EHAA Clc1ccccc1-c1nnc(CN2CCO[C@@H]3CCCC[C@@H]32)o1 298760102 ZUTZGGSAHKQHEI-LSDHHAIUSA-N 333.819 3.533 0 50 EHAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2Cc3ccc(F)cc3C2=O)CC1 255190804 ZOXSOJRBPNOZFU-SHTZXODSSA-N 348.418 3.617 0 50 EHAA Cc1ccccc1-c1cccc(C(=O)NCCn2cnc(C)c2C)c1 828172131 ROVBPMFSJQKRCZ-UHFFFAOYSA-N 333.435 3.905 0 50 EHAA COc1ccc(-n2cccn2)c(CN2CCC(c3ccncc3)CC2)c1 824629394 QHHKYGXHAGEQFC-UHFFFAOYSA-N 348.450 3.656 0 50 EHAA CN(Cc1ccn(C)n1)C(=O)NCc1ccc(C2CCCCC2)cc1 1343491846 WXOQUAZYWLKGLX-UHFFFAOYSA-N 340.471 3.809 0 50 EHAA CCc1ccc(CN2CCC[C@H](COc3cccc(OC)c3)C2)nc1 952974942 VVARXNGXWZZQJU-SFHVURJKSA-N 340.467 3.944 0 50 EHAA CC(C)CN(Cc1ccsc1)C(=O)c1cccc2nccnc12 952982204 PFMHCFZCUUAGIH-UHFFFAOYSA-N 325.437 3.990 0 50 EHAA CC(C)n1cc2ccc(NC(=O)c3cnc(C(F)(F)F)nc3)cc2n1 408514231 CUQUMABYSGCUFD-UHFFFAOYSA-N 349.316 3.678 0 50 EHAA O=C(c1ccoc1Cl)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 192354519 FLKVTPKXZDDCIC-SECBINFHSA-N 347.724 3.626 0 50 EHAA Cc1[nH]c(-c2ccncc2)nc(=N[C@@H]2CCO[C@@H](CC(C)C)C2)c1C 679003661 RQHVEMZKVGCVBF-MSOLQXFVSA-N 340.471 3.583 0 50 EHAA O[C@@H]1CCCN(Cc2ccc3c[nH]nc3c2)[C@@H]1CCc1ccccc1 660904962 VJLNWNIYRREZCZ-NHCUHLMSSA-N 335.451 3.521 0 50 EHAA CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1cc2nn[nH]c2cc1F 781922164 DFWZECCYLNVDSN-UHFFFAOYSA-N 338.386 3.597 0 50 EHAA Cc1cc(C)c(C(=O)N(C)Cc2ccc3nsnc3c2)cc1C 1506421547 JFDBWYUIUNLFAH-UHFFFAOYSA-N 325.437 3.889 0 50 EHAA CCc1nc(C)cc(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)n1 1704344566 UBSQHMSFJIHTPC-APWZRJJASA-N 348.450 3.565 0 50 EHAA CN1CCC[C@H]1CCNc1noc(-c2ccc(Cl)cc2)c1C(=O)O 1704354499 GQCMBCKZUYWTDV-ZDUSSCGKSA-N 349.818 3.589 0 50 EHAA COc1cc(C(=O)Oc2ccc3c(c2)CCCC3)cc(OC)c1OC 5059520 UJIGXVMIQKPQJP-UHFFFAOYSA-N 342.391 3.810 0 50 EHAA Cc1cccc(CN2CC[C@H](N(C)Cc3ccco3)CCC2=O)c1 12455422 KCWYZBUHGYLERP-GOSISDBHSA-N 326.440 3.601 0 50 EHAA COc1cc(NC(=O)c2c(F)cccc2F)c(OC)cc1Cl 13326324 VVOPVZZSOJUCIV-UHFFFAOYSA-N 327.714 3.888 0 50 EHAA Brc1ccccc1CN1CCN(C[C@H]2CC=CCC2)CC1 19789356 ZIOLAORBLJUKRC-INIZCTEOSA-N 349.316 3.923 0 50 EHAA Cc1oc2ncnc(NC(=O)[C@H]3CCC(=O)c4ccccc43)c2c1C 225447866 BHTFPMKPKLRHLM-AWEZNQCLSA-N 335.363 3.538 0 50 EHAA CC(C)OC[C@H](C)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 337331495 HHIHFFBQVYGZMB-HOTGVXAUSA-N 341.455 3.798 0 50 EHAA Cc1cnc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)c(C)c1 809228294 GPJGVCZKNCCJRY-OAHLLOKOSA-N 340.427 3.716 0 50 EHAA O=C(Cc1ccc2cnccc2c1)Nc1ccc2c(c1)CCCC(=O)N2 1264966768 MGMJTZPJXYQFSK-UHFFFAOYSA-N 345.402 3.691 0 50 EHAA CN(c1ccccc1)[C@@H]1CCN(C(=O)c2cnc3c(F)cccc3c2)C1 1287282978 VDCMOYMOOQWPOE-GOSISDBHSA-N 349.409 3.725 0 50 EHAA Cc1cc(N2CCC[C@H](CCC(=O)O)C2)nc(-c2cccs2)n1 871867828 TURZTJSUWSYTLA-CYBMUJFWSA-N 331.441 3.595 0 50 EHAA Cc1cccc(C2=CCN(C(=O)NCc3ocnc3C)CC2)c1C 896146622 TVKIEXLBFOQBBE-UHFFFAOYSA-N 325.412 3.599 0 50 EHAA Cc1ccnc(-c2noc([C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)n2)c1 2325762492 LNTGPWWJCOWEML-GOEBONIOSA-N 348.406 3.517 0 50 EHAA NC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 117629 NOYWRSZOEROPOL-XDJHFCHBSA-N 342.398 3.965 0 50 EHAA CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 248917 HCBISMVKMHHQML-UHFFFAOYSA-N 325.380 3.964 0 50 EHAA CN1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 279691 DMAWCJBZVSQYGX-UHFFFAOYSA-N 344.871 3.764 0 50 EHAA COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H](C)c1ccccc1 384630 CGFZTVVNFYMMTG-CQSZACIVSA-N 333.453 3.858 0 50 EHAA C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)c1ccnn1CC(F)F 279793163 IXEDTTWTYHJUQJ-VNHYZAJKSA-N 333.382 3.555 0 50 EHAA CCCCc1c(C)[nH]c2c(-c3ccc(OC)cc3)c(C)nn2c1=O 9698363 VNALLBRYNOYSFQ-UHFFFAOYSA-N 325.412 3.658 0 50 EHAA Cc1nonc1[C@@H]1CCCN1Cc1nc(-c2ccsc2)oc1C 20256068 XDDYQUUGOKKZMH-AWEZNQCLSA-N 330.413 3.740 0 50 EHAA Cc1oc(-c2ccco2)nc1CC(=O)O[C@@H]1[C@H]2CCCO[C@H]2C1(C)C 246684723 ZTUKZZWHFYYXBZ-JCURWCKSSA-N 345.395 3.532 0 50 EHAA CCOC(=O)c1ccc(O[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 248322582 WQYGCYUWRGDTQM-ATNYBXOESA-N 347.455 3.572 0 50 EHAA Fc1ccc(Cl)c(F)c1-c1nccn1CCN1CCCCC1 67846975 YZWQXKCKTVTSEI-UHFFFAOYSA-N 325.790 3.968 0 50 EHAA Cc1nc(/C=C/c2cc3ccccc3s2)nc(O)c1CC(=O)O 349107742 KLLZOFRQXPVCGR-VOTSOKGWSA-N 326.377 3.503 0 50 EHAA Cc1cc(C)n(CCn2ccnc2-c2ccc(-c3cc[nH]n3)s2)n1 67843012 WRMUBMKSTXRZSB-UHFFFAOYSA-N 338.440 3.515 0 50 EHAA CC[C@@H](c1nc(C2CC2)nn1-c1cccc2cccnc12)n1cccn1 65405347 APNRJBYOUKLUSE-INIZCTEOSA-N 344.422 3.889 0 50 EHAA COc1ccc2c(c1)CCN2C(=O)C[C@H](C)c1ccccc1OC 171166011 HUWRXUWRBVAYOX-AWEZNQCLSA-N 325.408 3.787 0 50 EHAA OCCCCNC1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 63855860 CUWQWIWANPRLHC-UHFFFAOYSA-N 342.458 3.824 0 50 EHAA CC(C)(C)[C@H](O)[C@H](Oc1ccc(-c2ccccc2)cc1)n1cncn1 967747 VGPIBGGRCVEHQZ-MOPGFXCFSA-N 337.423 3.930 0 50 EHAA biogenic,in-vitro Oc1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1 6402506 XZJQYXSWPCLTKV-UHFFFAOYSA-N 347.871 3.565 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CC=C[C@H]3CO)c3ccccc3n2)cc1 72429558 ZBIHTHGOSDSNOC-KRWDZBQOSA-N 344.414 3.583 0 50 EHAA C[C@H]1CN(C(=O)NCc2nnc(C(C)(C)C)s2)[C@@H]1c1ccccc1 253431976 VVBICYAYPLNCDU-WFASDCNBSA-N 344.484 3.738 0 50 EHAA Cc1c(NC(=O)N2CCOC[C@H]2c2ccccc2)cccc1N(C)C 253417836 HVKYSJGGXLCXLB-IBGZPJMESA-N 339.439 3.666 0 50 EHAA COc1ccccc1-c1ccc(CN2CCC[C@H]2Cn2cncn2)cc1 369383600 MIFOPZUFKMMRLF-IBGZPJMESA-N 348.450 3.618 0 50 EHAA O=C(O)c1ccccc1CCC(=O)N1CCC(c2ccccc2)CC1 262109651 IMHDKPKQMAVSCN-UHFFFAOYSA-N 337.419 3.724 0 50 EHAA Cc1[nH]nc2ncc(C(=O)N3CCC[C@@H]3/C=C/c3ccccc3)cc12 377246586 VCDVBDBUXDVALG-OAGJVSPASA-N 332.407 3.584 0 50 EHAA O=C1CC[C@H](c2cccc(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)c2)N1 333802050 OFUAPPDKMRIBAW-LBTBCDHLSA-N 341.455 3.728 0 50 EHAA Cn1ccc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc21 40286930 UKYUOBKIZKKCJU-UHFFFAOYSA-N 347.462 3.573 0 50 EHAA CCOC1(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CCCC1 284168067 KGAJFSRUXRWLPV-ZWKOTPCHSA-N 349.446 3.854 0 50 EHAA O=C(Nc1ccc(-c2ccco2)cc1F)c1cn2c(n1)CCCC2 337753794 RFRKUKMAYIOKKC-UHFFFAOYSA-N 325.343 3.871 0 50 EHAA Cc1cnn(CCCNC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1 18061401 UQEQXQBGLLZSOW-JUNHRQJPSA-N 329.488 3.694 0 50 EHAA Cc1cccc(N2CCC(N[C@H](C)c3ccc4c(c3)CCO4)CC2)n1 178418361 OEHRTOUMWJFOPQ-MRXNPFEDSA-N 337.467 3.645 0 50 EHAA Cc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)[nH]n2)o1 91987599 SEXZZAWUZIZMPG-JTQLQIEISA-N 344.440 3.885 0 50 EHAA Cc1nc(C(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)cs1 96148583 WICBZWXRJOKVLO-RDJZCZTQSA-N 330.453 3.709 0 50 EHAA c1nc(CN(Cc2cocn2)Cc2cncn2C2CCCCC2)co1 252497015 PXKHTVOBZQHYDI-UHFFFAOYSA-N 341.415 3.567 0 50 EHAA Cc1ccc(N[C@H](C)c2nccn2C)cc1OCC1CCOCC1 182268647 KTIGISAAADURBQ-OAHLLOKOSA-N 329.444 3.707 0 50 EHAA CCN(C[C@H]1CCCCO1)C(=O)c1cc2c(Cl)cccc2n1C 299761684 XITKWFQQSKMIDS-CYBMUJFWSA-N 334.847 3.863 0 50 EHAA Cc1noc(C)c1C(=O)NCC[C@H](c1ccc(F)cc1)c1ccco1 670456493 NCTBAOHFTKDSKM-MRXNPFEDSA-N 342.370 3.976 0 50 EHAA CCCCN(Cc1ccsc1)C(=O)c1cnc2ccnn2c1C 952991717 RRRDRFCUJAKKPC-UHFFFAOYSA-N 328.441 3.542 0 50 EHAA Cc1cnc(C(=O)N2C[C@H](C)CSc3ccc(Cl)cc32)cn1 185102033 DHINAUJGJUBPGC-JTQLQIEISA-N 333.844 3.827 0 50 EHAA CCOc1nc(C)ccc1C(=O)N1CCC[C@@H]1c1csc(C)n1 276867715 JRYYBCZQZPRHRO-OAHLLOKOSA-N 331.441 3.531 0 50 EHAA O=C(NCCC[C@H]1CCCCO1)c1cc(Br)cs1 186709635 CVIGLGGMBQEZEW-LLVKDONJSA-N 332.263 3.590 0 50 EHAA Cc1cc(F)c(Br)cc1NCc1nnc(C2CC2)n1C 190868780 OFGDXFIDLIGPHL-UHFFFAOYSA-N 339.212 3.515 0 50 EHAA O=C(c1cc(N2CCCC2)ccn1)N(Cc1cccc(F)c1)C1CC1 194391505 JWCPTJMKEQXZCF-UHFFFAOYSA-N 339.414 3.626 0 50 EHAA Cc1nnc([C@H](C)N2CCC(Cc3nc4ccccc4[nH]3)CC2)s1 660857500 QANXSDLQWDLFTQ-LBPRGKRZSA-N 341.484 3.739 0 50 EHAA Cc1cc2occ(CC(=O)N[C@H]3CCCN4CCC[C@@H]34)c2cc1Cl 1775980767 JOENQROWNYCKJJ-IRXDYDNUSA-N 346.858 3.680 0 50 EHAA c1ccc(N[C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1 12200720 LBIXRKJANFFQLP-IBGZPJMESA-N 332.451 3.949 0 50 EHAA Fc1ccc(COc2ccc(Cl)cc2CNc2ncn[nH]2)cc1 13943047 YXBWLWZLUUWJOK-UHFFFAOYSA-N 332.766 3.788 0 50 EHAA Cc1c([C@H](C)NCc2cccnc2)cnn1-c1ccc(F)cc1F 19741886 AWCMXXXIZMFKTP-LBPRGKRZSA-N 328.366 3.705 0 50 EHAA Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 19839398 JHQJMFYODHUOQF-OAHLLOKOSA-N 342.826 3.779 0 50 EHAA O=C(CCC1CCCC1)N1CCN(Cc2c[nH]c3ccccc23)CC1 19889315 WNUZQKAHGFOTCW-UHFFFAOYSA-N 339.483 3.783 0 50 EHAA N=c1[nH]c2cc(C(=O)N3CCCC[C@H]3c3nccs3)ccc2s1 1857736891 PTKZOJBHHAURDN-LBPRGKRZSA-N 344.465 3.533 0 50 EHAA CCOc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)cc1 121599 NVZKAECSGZQWGL-UHFFFAOYSA-N 342.782 3.521 0 50 EHAA COc1cccc2c1CC[C@H]2NC(=O)c1nc(C(C)C)ncc1Cl 121948585 WPJCBKMGWGXQCB-CQSZACIVSA-N 345.830 3.679 0 50 EHAA Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CCC[C@@H]1c1cccs1 241657658 PYEIANPYPXAHOY-ZIAGYGMSSA-N 346.456 3.702 0 50 EHAA CC(C)[C@H](O)c1ccc2c(c1)CN(CCc1ccccc1)CCO2 14883974 NMXDXYWKCLSGPO-NRFANRHFSA-N 325.452 3.813 0 50 EHAA CC[C@@H](c1ccccc1)c1nnc2n1CCN(C(=O)OC(C)(C)C)C2 952883229 YAUZZELEABNPFN-HNNXBMFYSA-N 342.443 3.571 0 50 EHAA O=C(N[C@H](Cc1ccccc1)c1ccco1)c1cncnc1C1CC1 1875297783 CYOKYIOFKDSEHX-QGZVFWFLSA-N 333.391 3.661 0 50 EHAA Cc1ccc2c(C(=O)N3CCCN(C4CCCC4)CC3)c[nH]c2c1 1875290603 SAOQLAJYHCKAIC-UHFFFAOYSA-N 325.456 3.567 0 50 EHAA C=CC(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCCC[C@@H]2CC)cc1 1875388852 SLDYKUOBXPBKPF-RBUKOAKNSA-N 340.467 3.941 0 50 EHAA CC(C)(NCc1cc(Cl)c2c(c1)OCCO2)[C@@H](O)c1ccccc1 1875330429 XKFVSVLLXAUMHI-SFHVURJKSA-N 347.842 3.713 0 50 EHAA O=C(Nc1ccccc1N1CCCCC1)N1CC[C@H](c2ccon2)C1 1775991595 HPJSDCWAOABNOM-HNNXBMFYSA-N 340.427 3.686 0 50 EHAA CCn1nc(C2CC2)cc1C(=O)Nc1nc2cccc(Cl)c2n1C 897947968 VJENEKKPERKYIK-UHFFFAOYSA-N 343.818 3.573 0 50 EHAA C[C@H](CCCO)N(Cc1ccccc1F)C[C@@H]1CCOC(C)(C)C1 2325771962 GHSHYMQGZZZRMS-IAGOWNOFSA-N 337.479 3.994 0 50 EHAA Cc1ccoc1-c1nnc(N2CC[C@@H](Cc3ccccc3)[C@H]2C)n1C 2325839896 IIQGTJFMRUSAGH-WBVHZDCISA-N 336.439 3.841 0 50 EHAA Cc1ccc([C@@H](CN(C)C)NC(=O)c2cc3ncccc3s2)cc1 2325855956 WNLHLRMHCCFJJS-MRXNPFEDSA-N 339.464 3.637 0 50 EHAA Cc1cc(C)cc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 79097 GTLGKINIKQAIHV-INIZCTEOSA-N 326.421 3.745 0 50 EHAA COc1cccc2cc(C(=O)Oc3ccccc3Cl)c(=O)oc12 1068956 SXBIJPXPLKZZEW-UHFFFAOYSA-N 330.723 3.674 0 50 EHAA C[C@@H](Cn1ccc(C(F)(F)F)n1)NC(=O)Nc1ccc(Cl)cc1 20606775 KGJUTVDEJVONQH-VIFPVBQESA-N 346.740 3.766 0 50 EHAA CCOP(=O)(OCC)ON1C(=O)c2cccc3cccc(c23)C1=O 1759150 QNSIFYWAPWSAIJ-UHFFFAOYSA-N 349.279 3.549 0 50 EHAA in-man CCOC(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1 1779445 DISTYDCROLTYJR-UHFFFAOYSA-N 327.380 3.661 0 50 EHAA O=C(CCc1ccc(-c2cccs2)o1)N[C@H]1CC[C@H](C(=O)O)CC1 2356149809 WBFDIJAMXQJHNI-JOCQHMNTSA-N 347.436 3.700 0 50 EHAA O=C(Nc1ccc(CN2CCCCC2)cc1)[C@H]1CCCC[C@H]1C(=O)O 2809608 ARPJWAOSTFGDCC-ZWKOTPCHSA-N 344.455 3.502 0 50 EHAA CCc1cc(OCCCN2C(=O)c3ccccc3C2=O)ccc1Cl 2868717 ADIWDBRRKQOYQL-UHFFFAOYSA-N 343.810 3.968 0 50 EHAA COc1ccc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 4868505 BNODAAYCPMVDPB-UHFFFAOYSA-N 348.811 3.976 0 50 EHAA C[C@@H](Oc1ccccc1Br)C(=O)Nc1cccc(O)c1 6746611 ASZRFTWPMWKIHY-SNVBAGLBSA-N 336.185 3.561 0 50 EHAA COc1ccc(-c2cn(C3CCN(CCC(C)C)CC3)nn2)cc1 55270829 FKHWULGWBZLERE-UHFFFAOYSA-N 328.460 3.637 0 50 EHAA Fc1ccc(-n2cc(-c3ccnc(NCCc4ccco4)n3)cn2)cc1 23580973 DWLUIDLBKMBRNN-UHFFFAOYSA-N 349.369 3.716 0 50 EHAA Cc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)c(C)c1 101195932 GYUGNGJVYSPQMC-KRWDZBQOSA-N 337.814 3.999 0 50 EHAA COc1ccc(-c2nc(CN3CCCCC3)c(C)o2)c(OC)c1C 67787670 GEDZQSDAAQRLOR-UHFFFAOYSA-N 330.428 3.962 0 50 EHAA C[C@H](NC1CCN(C(=O)c2cccnc2)CC1)c1ccccc1Cl 67774245 CIYZDLLZIJTQHB-AWEZNQCLSA-N 343.858 3.690 0 50 EHAA Cc1ccc(NC(=O)CN(C)Cc2csc(C(C)C)n2)c(C)c1 65532119 FPJKJBIUSHUFSE-UHFFFAOYSA-N 331.485 3.954 0 50 EHAA C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 280067132 XEXMSHAMZURLJV-UXLLHSPISA-N 341.451 3.945 0 50 EHAA CCN(CC)CCc1ccc(NC(=O)CCc2cncc(F)c2)cc1 252501908 ULGDLAHCQGTKPZ-UHFFFAOYSA-N 343.446 3.676 0 50 EHAA COC(=O)c1sccc1OCc1ccc(Br)cc1 4109903 WYVLEQISRSHGLV-UHFFFAOYSA-N 327.199 3.876 0 50 EHAA O=c1[nH]ncc(N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c1Cl 280695029 GFTBSNSDOMTWTJ-HOMQSWHASA-N 343.736 3.800 0 50 EHAA Cc1ccc(NC(=O)NCc2noc(-c3ccccc3C)n2)cc1F 253425890 WJPPLHOXROPYIQ-UHFFFAOYSA-N 340.358 3.814 0 50 EHAA Cc1cccc(-c2ncc(CN3CC(N4CCCC[C@@H]4C)C3)cn2)c1 72143340 XTAYQAUAADWLII-KRWDZBQOSA-N 336.483 3.511 0 50 EHAA COc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2ccco2)no1 33012293 CHEKYMWDJWOWED-HNNXBMFYSA-N 338.363 3.921 0 50 EHAA CC(C)(O)CCc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1 72423568 ZEHOENWKEIJZBG-UHFFFAOYSA-N 338.451 3.590 0 50 EHAA O=C(c1ccc2c(c1)CCC=C2)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 329166424 HZKOZWOWIQULCI-SFHVURJKSA-N 348.450 3.661 0 50 EHAA Cc1cc2nc(-c3ccccc3)cc(N[C@@H](C)c3cnn(C)c3C)n2n1 72456728 CWVHYKJKLBUSSG-AWEZNQCLSA-N 346.438 3.920 0 50 EHAA CCCOc1ccc2ccccc2c1CN1CCO[C@@H](CCOC)C1 215717891 SPPLENMBVGTPGY-SFHVURJKSA-N 343.467 3.866 0 50 EHAA Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC2(CC2)c2ccccc21 172435168 UIWRSTCUOYVZBU-UHFFFAOYSA-N 337.467 3.777 0 50 EHAA Cc1oc2ccccc2c1CNC1CCN(C(=O)c2ccncc2)CC1 239807467 CSELMUWOXAIXEG-UHFFFAOYSA-N 349.434 3.531 0 50 EHAA Cc1ccc2ncnc(N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@H]3O)c2c1 241846673 SMSCARIYNGEJFK-IWKCEXAMSA-N 325.456 3.704 0 50 EHAA CC(C)CCn1ncc(C(=O)N[C@@H](C)c2ccccn2)c1C(C)C 242242301 XTRNFYGWPXZZEM-HNNXBMFYSA-N 328.460 3.939 0 50 EHAA CN(CCN1CCCCCC1)C(=O)Nc1ccc(OC(F)F)cc1 96162297 SXMRYTXYTJRQRS-UHFFFAOYSA-N 341.402 3.628 0 50 EHAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@@H]2CCCCN2C)c1 823777494 BRGRIVOURYJNMH-SFHVURJKSA-N 343.471 3.547 0 50 EHAA O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1cnc(-c2cccc3ccccc23)nc1 828873360 CWVOPQJBEVJOGH-BWTSREIZSA-N 345.446 3.785 0 50 EHAA CCc1nc(-c2cccc(C(=O)N3CCN4CCC[C@@H]4C3)c2)ccc1C 584900269 LVDLIHCZLCQSNO-LJQANCHMSA-N 349.478 3.540 0 50 EHAA C[C@H](c1ccncc1)N(C)Cc1cnc(NCc2ccccc2)nc1 952979031 WPHQSDCUXRMUFP-MRXNPFEDSA-N 333.439 3.677 0 50 EHAA COc1cccc(-n2cnnc2SCc2nc(C)c(C)s2)c1 86978411 LXBWVKLZHZDRMT-UHFFFAOYSA-N 332.454 3.642 0 50 EHAA Cc1ccc(SC[C@@H](C)NC(=O)[C@@H](C)c2c(C)n[nH]c2C)cc1 186701801 KAUPTAIAYGEOMJ-OLZOCXBDSA-N 331.485 3.735 0 50 EHAA Cn1cc(CN2CC[C@H](CSc3ccccc3)C2)c(C(F)F)n1 170598068 IIAATOBMKDOMPA-ZDUSSCGKSA-N 337.439 3.972 0 50 EHAA COc1cc(C)cc2c1OCC[C@@H]2NC(=O)N1CCC[C@@H]1C(C)C 170616931 ADLQHAXXJLWORW-JKSUJKDBSA-N 332.444 3.657 0 50 EHAA C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H]2c2ccncc2)cn1 189646248 IDNRQDZAKNIEMG-CXAGYDPISA-N 325.416 3.618 0 50 EHAA O=C(Nc1ccccc1OC(F)F)N1CCC([C@@H]2CCCO2)CC1 189868013 LXXVCJWVAOYLBQ-AWEZNQCLSA-N 340.370 3.711 0 50 EHAA O=C(Nc1ccccc1-n1ccnn1)c1ccccc1C(F)(F)F 192706021 WGOFCMXULANRBL-UHFFFAOYSA-N 332.285 3.538 0 50 EHAA C[C@@H](NCC[C@H]1COc2ccccc2O1)c1ccc(C(F)F)nc1 657926308 SQVACPBLRUHIIX-OCCSQVGLSA-N 334.366 3.900 0 50 EHAA Cc1cc(N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c2ccccc2n1 1704335342 DPQYAUIZHLWWPE-MRXNPFEDSA-N 337.467 3.771 0 50 EHAA CCCc1cnc(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)nc1 1704330637 YNWNTBYTLVURMD-XLIONFOSSA-N 348.450 3.647 0 50 EHAA Cc1cc(N2CCC[C@]3(CCC[C@H]3O)C2)c2cc(F)cc(F)c2n1 1704314151 QHXHTDKOUXPRKB-IEBWSBKVSA-N 332.394 3.953 0 50 EHAA Cc1ccc(CN2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)s1 12429982 VWWJAYJVECUUSL-HNNXBMFYSA-N 330.453 3.862 0 50 EHAA COc1ccc(CNC(=O)c2csc3c2CCCC3)cc1OC 13745593 SVIDLYQDVFFVCS-UHFFFAOYSA-N 331.437 3.574 0 50 EHAA Cc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)s1 13939758 AOJSXVSWJWZVFG-ZSOIEALJSA-N 332.812 3.803 0 50 EHAA FC(F)(F)c1ccccc1-c1nccn1Cc1cnc2cnccn12 1857738652 RHRIGKYLPVSCHG-UHFFFAOYSA-N 343.312 3.660 0 50 EHAA CCC[C@@](C)(O)CNCc1cn(C2CCCC2)nc1-c1ccccn1 459404993 ANOLNJZEYKBMLF-HXUWFJFHSA-N 342.487 3.701 0 50 EHAA Cc1noc(C)c1[C@H](C)CC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 156967101 PNMCOHZUWSHCEH-HBUWYVDXSA-N 342.439 3.774 0 50 EHAA C[C@]12CCCC[C@H]1CN2C(=O)c1ccc2c(c1)nc(O)n2CC1CC1 827653240 YSIXQCIGFJKGRL-YWZLYKJASA-N 339.439 3.557 0 50 EHAA COc1ccc(CNCCc2cccc(F)c2)cc1Br 19720786 KTZSTWBHFMAEMT-UHFFFAOYSA-N 338.220 3.929 0 50 EHAA CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)cc1OC 122858 LPYJMGCDGWUASB-GOSISDBHSA-N 326.396 3.680 0 50 EHAA biogenic Nc1ccc2oc(-c3ccc(I)cc3)nc2c1 125060 GPJLCZLHZBJOCD-UHFFFAOYSA-N 336.132 3.682 0 50 EHAA Cc1ccccc1CN1CCC(N2CCN(c3ccccc3)CC2)CC1 316285 SEZIEAVLPMUINK-UHFFFAOYSA-N 349.522 3.782 0 50 EHAA COc1ccccc1-c1cc(C(=O)Nc2ccc(F)cc2F)no1 423734 ZJAXFAMENQNAPP-UHFFFAOYSA-N 330.290 3.881 0 50 EHAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1c(F)cccc1F 465015 LKTBJNREZOEKGX-UHFFFAOYSA-N 337.269 3.784 0 50 EHAA Cc1ccc(-c2nnc(SCc3c(F)cccc3F)n2N)cc1 526912 PHFGYYGRGINZCQ-UHFFFAOYSA-N 332.379 3.538 0 50 EHAA CCN1CCN(C(=S)c2cccc(OCc3ccccc3)c2)CC1 2884305 ILTGFSYXXBRFIK-UHFFFAOYSA-N 340.492 3.579 0 50 EHAA COc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 2972742 PPPNIIPKPTXJJS-UHFFFAOYSA-N 340.423 3.703 0 50 EHAA O=C(NCCSc1ccccc1)c1ccc(Br)cc1 2986903 CUJWDMGQMDFVSX-UHFFFAOYSA-N 336.254 3.971 0 50 EHAA Cc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccco2)cc1 4891576 JVZGNXWZGKGUGB-FOWTUZBSSA-N 336.347 3.591 0 50 EHAA CCc1c(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)[nH]c(C)c1C(C)=O 246273985 ZDRRFDRZBKGUMU-QXAKKESOSA-N 336.435 3.546 0 50 EHAA Cc1ccc(C[C@H]2CC(=O)N(c3ccc4ccccc4n3)C2=O)cc1 100571917 BWDNVZOBJXLCIT-KRWDZBQOSA-N 330.387 3.665 0 50 EHAA Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 247958742 NGIHOXKEIAEPBB-DVLUHMITSA-N 338.373 3.963 0 50 EHAA CN1CCC[C@@H](CNC(=O)c2ccc(Cl)nc2)[C@H]1c1cccs1 248154529 VEZHBPAPBRQEEP-LRDDRELGSA-N 349.887 3.609 0 50 EHAA COc1cnccc1-c1noc([C@H]2CC(C)(C)Oc3ccccc32)n1 351219279 QFHFDEXWGLRVKD-AWEZNQCLSA-N 337.379 3.833 0 50 EHAA CCc1ccc(C(C)(C)C(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 123278793 APWQEIVTMANAOB-IBGZPJMESA-N 338.451 3.602 0 50 EHAA CCC(=O)Nc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c1 252482520 DICQSSFCMNCWQM-CYBMUJFWSA-N 342.361 3.838 0 50 EHAA COc1ccc(-c2noc(COc3ccc(C)c(C)c3)n2)cc1OC 316773 QSZYKFOCCPSXGY-UHFFFAOYSA-N 340.379 3.950 0 50 EHAA C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)C(=O)Nc1cccc(F)c1 171436215 QDERPXJGAQWWKD-GFCCVEGCSA-N 341.386 3.540 0 50 EHAA O=C(CCSCc1ccc(F)cc1)N1CCC(c2ncc[nH]2)CC1 72409454 BKDCOSXNPBGMMW-UHFFFAOYSA-N 347.459 3.578 0 50 EHAA COc1ccc([C@@H](C)NC(=O)c2ccc(OC(C)(C)C)cn2)cc1F 328590606 GTDLQOIQWMTXBB-GFCCVEGCSA-N 346.402 3.898 0 50 EHAA COc1ccc(/C=C/CN2CCC[C@H](OCc3ccccn3)C2)cc1 72138943 HAHOWUKDEQYWIH-LWQICCLCSA-N 338.451 3.785 0 50 EHAA O=C(CCC1CCNCC1)Nc1ccc(-n2cnc3ccccc32)cc1 155857795 DGGBHUPJPRRBOR-UHFFFAOYSA-N 348.450 3.744 0 50 EHAA CSCc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)o1 77285494 JTSJDQHIWPNONZ-UHFFFAOYSA-N 345.464 3.964 0 50 EHAA Cc1nc(CC(=O)N(C)Cc2nc(-c3ccccc3)cs2)cs1 72436318 KZUJEYFETPYCNZ-UHFFFAOYSA-N 343.477 3.776 0 50 EHAA CC(C)c1nc(N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)no1 71315357 COZMZLTVHLATDD-GOSISDBHSA-N 349.862 3.668 0 50 EHAA COCC1(CNC(=O)Cc2ccc(C(F)(F)F)cc2)CCCC1 220197368 YURJVAYUPFBHFO-UHFFFAOYSA-N 329.362 3.571 0 50 EHAA O=C(c1cccc(C(F)(F)F)c1)N1CCO[C@H](c2ccco2)C1 176727739 HNHDOKCPDAXYQJ-AWEZNQCLSA-N 325.286 3.512 0 50 EHAA Cc1cc(F)ccc1CN1CCC2(CCC(=O)N(C3CC3)C2)CC1 91662940 FPRFHZHZBPECDI-UHFFFAOYSA-N 330.447 3.501 0 50 EHAA Cc1nc([C@H](C)N(C)C(=O)c2c[nH]nc2-c2ccccc2)c(C)s1 91873367 NXAIDDUCSKEBQB-NSHDSACASA-N 340.452 3.983 0 50 EHAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)n3C)C2)n1 95355086 VFRUDWUKUCREAC-GOSISDBHSA-N 348.450 3.593 0 50 EHAA CSc1ncccc1C(=O)N1CCC(c2nccn2C(C)C)CC1 95531052 JUBKOHAGNILUAK-UHFFFAOYSA-N 344.484 3.601 0 50 EHAA Cc1ccc(F)c(-c2cn(Cc3ccc(CO)cc3)nn2)c1Cl 91657423 JIVQYNJYJOIHQS-UHFFFAOYSA-N 331.778 3.587 0 50 EHAA CC[C@H](NC(=O)C(C)(C)Nc1ccc(OC)cc1)c1nccs1 534587307 XTSUPNXFMAFDKO-AWEZNQCLSA-N 333.457 3.610 0 50 EHAA CN1CCCCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 823778622 HJLYFFDSCJCXJX-NRFANRHFSA-N 336.479 3.809 0 50 EHAA CCOc1ccc([C@H](C)NC(=O)N(C)CCc2ccccn2)cc1F 584895047 OJEYOPOYRDRZAN-AWEZNQCLSA-N 345.418 3.565 0 50 EHAA Fc1cccc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)c1Cl 1326196671 CAAZTVNNRPOVNF-UHFFFAOYSA-N 332.718 3.967 0 50 EHAA c1cncc(Cn2cc(Nc3ncnc4c3oc3ccccc34)cn2)c1 1338158092 UWNCGMSYRFNBOA-UHFFFAOYSA-N 342.362 3.759 0 50 EHAA CC(=O)N1Cc2ccc(Nc3ncncc3-c3ccccc3)cc2C1 1341728680 IOBAGSZWRBNQQA-UHFFFAOYSA-N 330.391 3.749 0 50 EHAA CC[C@H](C)[C@@H](NC(=O)c1ccncc1Br)C(F)(F)F 277555767 JUNHFBCBPGEZSR-OIBJUYFYSA-N 339.155 3.551 0 50 EHAA Cc1ncc(CNCc2ccc3c(n2)CCCC3)n1-c1ccccc1 277809612 YROGDDMGJUJXNQ-UHFFFAOYSA-N 332.451 3.744 0 50 EHAA CCCOc1cc(OC)ccc1C(=O)N[C@@H]1CCOc2ccccc21 189943153 WOKRBCRIMSFBMV-QGZVFWFLSA-N 341.407 3.738 0 50 EHAA CC1(C(=O)Nc2ncccc2Cl)CCN(Cc2ccccc2)CC1 190546552 LQYFAUNFVDNRQL-UHFFFAOYSA-N 343.858 3.976 0 50 EHAA Cc1cc(C(C)(C)C)cc(C)c1CN1CCS(=O)(=O)CC[C@@H]1C 192080217 AHQSJCJSQHKFQA-INIZCTEOSA-N 337.529 3.610 0 50 EHAA Cc1nccn1[C@@H](C)CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 1506418756 UMMBYKNHKHWFNL-LBPRGKRZSA-N 339.361 3.820 0 50 EHAA CCCN1C(=O)CC[C@@H]2CN(C(=O)c3cc(C(C)C)oc3C)CC[C@@H]21 215564041 DJTAFATUBOVFTD-WBVHZDCISA-N 346.471 3.575 0 50 EHAA O=C(Cc1cc(Cl)ccc1Br)Nc1ccncc1F 122973268 MWRFIGPGMVQFSI-UHFFFAOYSA-N 343.583 3.818 0 50 EHAA COC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccncc1 1772491370 SCLOBMBKZIWZKD-MRXNPFEDSA-N 326.396 3.699 0 50 EHAA C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 12139862 OCWKRSVQUNLLTR-YRGRVCCFSA-N 332.271 3.711 0 50 EHAA O=C(c1ccco1)N(Cc1cccc(OC[C@@H]2CCCO2)c1)C1CC1 15068252 HWSNSWWCKBEQCU-SFHVURJKSA-N 341.407 3.642 0 50 EHAA NCc1ccccc1-c1ccc(C(=O)NCCC[C@@H]2CC2(F)F)cc1 1875328307 KMVRBDRQXZCTMA-QGZVFWFLSA-N 344.405 3.978 0 50 EHAA O=C([C@@H]1CCC=CCCC1)N1Cc2ccccc2O[C@@]2(CCOC2)C1 2325770176 NTVFMBGFKGFUNO-UTKZUKDTSA-N 341.451 3.703 0 50 EHAA O=C1Nc2ccccc2C[C@@H]1NCc1cccc(Oc2ccccn2)c1 1474234345 LXETXBNDBQUZMN-IBGZPJMESA-N 345.402 3.527 0 50 EHAA CC1=CC[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 106216 XBNFYFUGSSJTKU-OLZOCXBDSA-N 343.301 3.581 0 50 EHAA O=C(c1ccc(C(=O)N2CCCCCC2)cc1)N1CCCCCC1 143556 POXLSNAQLYFSAI-UHFFFAOYSA-N 328.456 3.719 0 50 EHAA O=C(Nc1ccc(Br)cc1)c1ccc2nsnc2c1 258385 ZNBSMBZVYKXZLN-UHFFFAOYSA-N 334.198 3.706 0 50 EHAA COc1cc(-c2noc(-c3ccc(F)cc3)n2)cc(OC)c1OC 331258 KHEDVUMWJBEBFD-UHFFFAOYSA-N 330.315 3.569 0 50 EHAA CCn1ccnc1[C@H](O)c1ccc(OCc2ccccc2)c(OC)c1 372924 LKQLXDYFWPTDBS-LJQANCHMSA-N 338.407 3.572 0 50 EHAA CCCc1cc(=O)oc2cc(OCC(=O)OC(C)C)c(Cl)cc12 458632 MZZLANQKYBFIRR-UHFFFAOYSA-N 338.787 3.729 0 50 EHAA CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(C)c(C)c2)cc1 482464 MYKTVKKYDVKWGT-UHFFFAOYSA-N 339.391 3.692 0 50 EHAA CCCCOc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1 2882961 ONSYYQXIRQUEJV-UHFFFAOYSA-N 349.452 3.983 0 50 EHAA C[C@@H](NCC(=O)Nc1cc(N(C)C)nc2ccccc12)c1ccccc1 4018673 VZTATDIFAHAGEB-OAHLLOKOSA-N 348.450 3.590 0 50 EHAA biogenic CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 4113619 DRDGYVVWTKGCBU-CYBMUJFWSA-N 343.210 3.575 0 50 EHAA CCOc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1F 5235131 AGUOMOUSAUBLAX-UHFFFAOYSA-N 329.780 3.679 0 50 EHAA O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1Cl 5999669 GELFVXYZASSDEL-UHFFFAOYSA-N 344.827 3.856 0 50 EHAA CC[C@@H](C)Sc1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 6702735 SHAWCFCQPLEIHR-GHMZBOCLSA-N 337.470 3.835 0 50 EHAA CCNc1ncnc2sc(C(=O)NCc3cccc(C)c3)c(C)c12 12054379 LZLIOIXLOXCMBW-UHFFFAOYSA-N 340.452 3.670 0 50 EHAA O=C1CCN(C[C@@H]2CC=CCC2)CCN1Cc1cccc(Cl)c1 12098447 ICHMNWRKRSNYAP-MRXNPFEDSA-N 332.875 3.731 0 50 EHAA CCCc1ccc2oc(C(=O)N(C)Cc3nccn3C)c(C)c2c1 12444926 DKZNXIJUVHKJFZ-UHFFFAOYSA-N 325.412 3.699 0 50 EHAA CC(C)Cc1ccc([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 15859059 QHYLRNLUDXOTBT-HNNXBMFYSA-N 336.435 3.974 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N3CCc4[nH]nc(C5CC5)c4C3)c2c1 48175565 BYUWAMBDNLHXJN-UHFFFAOYSA-N 346.434 3.651 0 50 EHAA Cc1nc(-c2c(-c3ccccc3)ncn2[C@@H](C)Cc2cnccn2)c[nH]1 65384983 WWVUESZUKRLZJD-AWEZNQCLSA-N 344.422 3.842 0 50 EHAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C[C@H]1CCOC1)CCO2 67712866 BYFNJFAWBSZCFA-MRXNPFEDSA-N 339.435 3.599 0 50 EHAA COc1ccccc1Oc1ncccc1CNc1nc(C)ncc1C 67855027 NNUIPUALJXAURR-UHFFFAOYSA-N 336.395 3.901 0 50 EHAA C[C@H](CC(=O)N1CCC(CCc2ccccc2)CC1)n1ccnc1 91713907 HGJYQTKOVUBSPH-QGZVFWFLSA-N 325.456 3.706 0 50 EHAA COCCC[C@H]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1 91848958 MGICJPZIOLWIPK-CYBMUJFWSA-N 343.826 3.523 0 50 EHAA O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)[C@H]1CCCNC1 122242910 OREBVPBORKDBHP-LBPRGKRZSA-N 332.350 3.695 0 50 EHAA COCc1ccc([C@@H]2CCCN2CCOc2cccc(OC)c2)o1 131263676 PMPAQAWVGQZERX-SFHVURJKSA-N 331.412 3.651 0 50 EHAA O=C1C[C@H](c2noc(-c3ccc(F)cc3)n2)CN1C1CCCCC1 169764639 HEDMALXSVNQKNU-ZDUSSCGKSA-N 329.375 3.524 0 50 EHAA Cc1ccc2[nH]c([C@H]3CCCN(Cc4noc(C5CC5)n4)C3)nc2c1 181140905 CFWLDHZLYVYQMV-AWEZNQCLSA-N 337.427 3.511 0 50 EHAA C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccc2ccccc2n1 182888540 PBFHHUGKDOJZRI-OAHLLOKOSA-N 334.423 3.640 0 50 EHAA CC(F)(F)c1cccc(NS(=O)(=O)CCCC(F)(F)F)c1 242100080 WEFKKKRUDCPYPD-UHFFFAOYSA-N 331.306 3.883 0 50 EHAA CCOc1ccc2c(c1)CN([C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C)CC2 242339298 ZGQBSWBLSUUESJ-YRNRMSPPSA-N 344.499 3.527 0 50 EHAA CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cncn1Cc1ccccc1 244795078 QZBVFIIEIYNTND-UHFFFAOYSA-N 337.471 3.584 0 50 EHAA CCS[C@@H]1CC[C@@H](N(C)C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 252500757 TVALGJWBVOLPHO-QXAKKESOSA-N 346.540 3.755 0 50 EHAA O=C(O)c1cccc(CN(Cc2ccc(F)cc2)C2CCOCC2)c1 263423705 PSJDEAVYUXSDCK-UHFFFAOYSA-N 343.398 3.705 0 50 EHAA C[C@@H]1CN(C(=O)Nc2nnc(-c3ccco3)s2)[C@@H]2CCCC[C@@H]12 272896820 ZRTOGXQWTRDQHQ-GRYCIOLGSA-N 332.429 3.841 0 50 EHAA Cc1cc(-c2cccc(C(=O)NC[C@@H]3CCCOC3)c2)ccc1F 299798752 SDYHURYASHRDIH-HNNXBMFYSA-N 327.399 3.958 0 50 EHAA C[C@H]1C[C@H](C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CCO1 331551461 JDHPIUQFMAFXIW-WCQYABFASA-N 334.416 3.627 0 50 EHAA COc1cccc2c1OC[C@@H](N[C@H](C)c1ccc(C(F)F)nc1)C2 657867852 QBAXQHSYZVCRRQ-RISCZKNCSA-N 334.366 3.682 0 50 EHAA O=C(O)[C@@H](C(=O)Nc1ccc(-c2nccs2)cc1)C1CCCC1 663031433 WIYKMOONHHSSEW-CQSZACIVSA-N 330.409 3.640 0 50 EHAA COC(=O)Nc1ccc(CCNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 737594085 FRLVCVKMMDRRMR-DLBZAZTESA-N 344.455 3.762 0 50 EHAA COc1cc(O)ncc1C(=O)N1CCCC[C@H]1c1ccc(Cl)cc1 821780825 BPRYFZOJHWXIND-HNNXBMFYSA-N 346.814 3.817 0 50 EHAA CN(Cc1nc(-c2cccs2)no1)Cc1nccc2c1CCCC2 894388460 DMMJLNNTGFRITM-UHFFFAOYSA-N 340.452 3.704 0 50 EHAA CC(C)Cn1ccnc1NC(=O)c1ncc(C(F)(F)F)cc1Cl 931535145 HRWXGSTXFRIQCS-UHFFFAOYSA-N 346.740 3.859 0 50 EHAA COc1ccc([C@]2(C(=O)Nc3ccc(O)c(OC)c3)CC2(C)C)cc1 952990931 YDMZXBOAUMUIEH-FQEVSTJZSA-N 341.407 3.716 0 50 EHAA CCOc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1C 1184779384 IEDCLIPSIGUOMC-UHFFFAOYSA-N 326.801 3.815 0 50 EHAA Cc1cc(NC(=O)c2ccc3c(c2)CCCO3)n([C@@H](C)C2CC2)n1 1506413616 RYDMLSRLAAOQMU-ZDUSSCGKSA-N 325.412 3.740 0 50 EHAA COc1cccc2c1C1(CCN(c3nc(C)c(C)s3)CC1)OCC2 1704331679 RXMMFMWZAMFGGR-UHFFFAOYSA-N 344.480 3.837 0 50 EHAA O=C(Nc1ccnn1Cc1ccc(Cl)s1)[C@H]1C[C@@H]1c1ccco1 1857530939 YWNWLMUIYUJSFN-RYUDHWBXSA-N 347.827 3.982 0 50 EHAA CCC(=O)N[C@@H](C(=O)N1CC[C@@H](CC2CCCC2)C1)c1ccccc1 1875265159 WAQSTLMIIQRXGC-FXAWDEMLSA-N 342.483 3.683 0 50 EHAA CO[C@H](C)c1nc(CN[C@@H](C)C2=Cc3ccccc3OC2)cs1 1875285276 ITPHATLEZHJTQE-QWHCGFSZSA-N 330.453 3.805 0 50 EHAA C[C@H](C(=O)Nc1ccc2nscc2c1)n1ccc(C(F)(F)F)n1 1875313657 WAVUHJNPNJWMRB-MRVPVSSYSA-N 340.330 3.711 0 50 EHAA C[C@@H]1CCc2nc(COc3ccc(Cl)cc3C(N)=O)sc2C1 1875341257 MPOCCDHIOZITDW-SECBINFHSA-N 336.844 3.599 0 50 EHAA COc1ccc2c(c1/C=C/c1nc3c(F)cccc3c(=O)o1)CCC2 2325841061 BSAYMUCNNAWBNW-PKNBQFBNSA-N 337.350 3.995 0 50 EHAA CC(C)(C)OC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 45408 YVSRUFIRNJGGAT-ZDUSSCGKSA-N 339.697 3.852 0 50 EHAA O=S(=O)(Nc1cccnc1)c1cc(Cl)c(Cl)cc1Cl 324708 FNQVREYRGZFBBW-UHFFFAOYSA-N 337.615 3.843 0 50 EHAA COc1ccc(NC(=O)c2nsc(Cl)c2Cl)cc1OC 618020 NULNJAJPTMCOFX-UHFFFAOYSA-N 333.196 3.719 0 50 EHAA CCC(CC)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 2774088 XUOFHWQCDSHMPO-UHFFFAOYSA-N 328.378 3.790 0 50 EHAA Cc1cccc(C)c1-n1nnnc1C1(Nc2cccc(O)c2)CCCC1 3998842 IQXZKWNHNPEVFI-UHFFFAOYSA-N 349.438 3.866 0 50 EHAA CC(=O)N1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 6698445 CLDFGQAHGMFRKR-UHFFFAOYSA-N 348.752 3.556 0 50 EHAA O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc(F)cc1 6703295 UTGQGULIQINBAU-UHFFFAOYSA-N 326.371 3.750 0 50 EHAA Cc1ccc(-c2noc(CN(C)C(=O)Nc3ccc(F)cc3)n2)cc1 6729246 YSUCLTPKNGAOLI-UHFFFAOYSA-N 340.358 3.848 0 50 EHAA CCC[C@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1nccn1C 55196257 IODZQZHFVUAUNP-INIZCTEOSA-N 327.407 3.580 0 50 EHAA COc1cccc(-c2nc3ccc(F)cc3[nH]2)c1OCCCN(C)C 55073744 HLQRPUIIZOJGDK-UHFFFAOYSA-N 343.402 3.708 0 50 EHAA CC[C@H](C)c1ccccc1OCC(=O)N(C)Cc1cc(C2CC2)[nH]n1 55042202 GJVVAAYGSFIKHF-AWEZNQCLSA-N 341.455 3.838 0 50 EHAA CCc1ccc(C(=O)N(Cc2ccc(F)cc2)[C@@H](CC)CO)s1 55072474 LTQDPGZNEOUFIR-HNNXBMFYSA-N 335.444 3.863 0 50 EHAA Cc1ccc(C)c(NC(=O)[C@H]2CCCN2C(=O)c2ccc(F)cc2)c1 20279709 UMWGSFRFZIKYIV-GOSISDBHSA-N 340.398 3.686 0 50 EHAA CN(Cc1ccoc1)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCC3)c1 20449162 IDWLVRCMSPKYJJ-UHFFFAOYSA-N 349.434 3.541 0 50 EHAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3c3ccccn3)cc2)n1 55522263 DEMUFZJMOFGWMI-HXUWFJFHSA-N 346.434 3.861 0 50 EHAA CCn1ncnc1[C@@H](NC(=O)c1oc2ccc(C)cc2c1C)C1CC1 65399194 CINCOSPPLYTJSX-INIZCTEOSA-N 338.411 3.542 0 50 EHAA C[C@H](NC(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 20117980 MYKNKSXMLDYMRJ-HNNXBMFYSA-N 345.402 3.825 0 50 EHAA O=C(c1cnn(-c2ccccc2)c1)N1CCc2c(Cl)cccc2C1 351512624 HLISDIXIGOVFHC-UHFFFAOYSA-N 337.810 3.724 0 50 EHAA O=C(NCc1ccc(F)cc1)Nc1nc(-c2ccccc2)ns1 32540582 VSQRKNUPSQOARD-UHFFFAOYSA-N 328.372 3.666 0 50 EHAA Cc1cccc(-c2ncc([C@H]3CC(=O)Nc4snc(C)c43)cn2)c1 65406790 CKOURMPWZJMBGA-CQSZACIVSA-N 336.420 3.691 0 50 EHAA O=C(O)c1ccccc1-n1nc(-c2ccccc2)c2ccccc2c1=O 45066 PDQDBJOAIGWDFX-UHFFFAOYSA-N 342.354 3.751 0 50 EHAA biogenic CC(=O)Oc1cc(C)c(C)cc1C(O)(C(F)(F)F)C(F)(F)F 118767 QGPYHSRQPTYQSO-UHFFFAOYSA-N 330.224 3.541 0 50 EHAA COc1cc2ncnc(NCc3ccccc3Cl)c2cc1OC 1405394 GNYUQDDYPQHREL-UHFFFAOYSA-N 329.787 3.913 0 50 EHAA Cc1ccc2c(c1)CCCN2C(=S)Nc1ccc2c(c1)OCCO2 6401197 KKKIUKUQTBVYEK-UHFFFAOYSA-N 340.448 3.916 0 50 EHAA C[C@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@@H]1c1ccccc1 121507222 DCFVIYJGLVPBHF-KSSFIOAISA-N 347.422 3.707 0 50 EHAA CC(=O)c1cc(CN2CCC(OCc3ccccn3)CC2)cs1 215106745 XAWUFNIFHBBILL-UHFFFAOYSA-N 330.453 3.527 0 50 EHAA Cc1ccncc1CCCN1CCO[C@H](c2ccc(F)cc2F)C1 368039026 DWYJEFYNLUOPPB-IBGZPJMESA-N 332.394 3.674 0 50 EHAA CC(C)(C)c1ccc(Cn2nccc2NCC2=CCCOC2)cc1 126985710 VGZIUCXIVGIYNL-UHFFFAOYSA-N 325.456 3.988 0 50 EHAA CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1 13330143 OADHIBVUVYYDHA-MRXNPFEDSA-N 339.844 3.778 0 50 EHAA Cc1c(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)oc2ccc(F)cc12 333091340 OHJMYBAPPBAZRU-INIZCTEOSA-N 341.386 3.837 0 50 EHAA S=C(Nc1cc(Cl)cc(Cl)c1)N1CCC2(CC1)OCCO2 13784708 UONDDNICIFMZQD-UHFFFAOYSA-N 347.267 3.529 0 50 EHAA Cc1nc(-c2c(C)noc2C)sc1C(=O)N(C)[C@H](C)C1CCC1 450370688 AJIAPVDLKCTDSZ-LLVKDONJSA-N 333.457 3.984 0 50 EHAA Cc1cccc(NC(=O)c2cn(C)nc2C(=O)Nc2cccc(C)c2)c1 20617130 OSCLDWPUAHOTDS-UHFFFAOYSA-N 348.406 3.542 0 50 EHAA CCCc1ccccc1NC(=O)N(C)[C@@H](COC)c1ccccn1 96162205 OMZZAGWBARMVBF-SFHVURJKSA-N 327.428 3.886 0 50 EHAA C[C@H](Cc1cnccn1)NC(=O)c1ccc(-c2ccccc2Cl)o1 91504387 HWNGMQNIHLVLMO-GFCCVEGCSA-N 341.798 3.751 0 50 EHAA O=C1N(CC2CC2)CCC[C@]12CCN(Cc1cccc(Cl)c1)C2 91575357 BDXLJLYTOBYRGH-LJQANCHMSA-N 332.875 3.565 0 50 EHAA CCCC[C@H]1C=CCN1C(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 97819637 ZOSJNNWXQBDUJJ-HNNXBMFYSA-N 325.412 3.656 0 50 EHAA Cc1cc([C@H]2CCCCN2Cc2ccccc2Cn2cccn2)no1 97642606 NLCMOCCISSKSDP-HXUWFJFHSA-N 336.439 3.955 0 50 EHAA COc1cnc(NC(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)s1 331583873 SLSBJYAUZODFRB-GXFFZTMASA-N 335.404 3.906 0 50 EHAA O=C(c1cncc(-c2cccc(C(F)(F)F)c2F)n1)N1CCCC1 97756462 PUUKQTRSHZEFOD-UHFFFAOYSA-N 339.292 3.538 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1ccc2cccc(F)c2n1 91289017 YUFYHEPQEYETSP-LBPRGKRZSA-N 326.375 3.547 0 50 EHAA Cc1nccn1-c1ccccc1CNC(=O)c1cccc2ncsc12 1940195198 ODFMKACRTPECKN-UHFFFAOYSA-N 348.431 3.720 0 50 EHAA CSCC1CCN(C[C@H]2CCCN(Cc3ccccc3)C2)CC1 299778559 GXATXNDIDYKHAX-HXUWFJFHSA-N 332.557 3.974 0 50 EHAA Cc1cc([C@@H]2CCCN2C(=O)c2cccc(-c3cccnc3O)c2)on1 299769492 NKMJVFMOSBSQJW-KRWDZBQOSA-N 349.390 3.728 0 50 EHAA Cc1cc(F)ccc1C(=O)Nc1cccc(C(=O)NCC(C)C)c1 821319312 UPERLDWKKKALHQ-UHFFFAOYSA-N 328.387 3.772 0 50 EHAA CCOC[C@@H]1CCCCN1C(=O)c1oc2ccccc2c1COC 408520114 IMNMVPDGHSAXCZ-AWEZNQCLSA-N 331.412 3.610 0 50 EHAA CSC1(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 188743649 GPGQHQBZNVWOMP-UHFFFAOYSA-N 343.330 3.590 0 50 EHAA CC[C@@]1(C)CN(C(=O)Nc2ncc(Cc3ccccc3)s2)CCO1 191022365 AFMVPQCEEGLKSS-SFHVURJKSA-N 345.468 3.767 0 50 EHAA CN(Cc1cnn(-c2ccccc2)c1)[C@H]1CCN(c2ccccc2)C1 1506399085 AIDUWSAIMMQLCY-NRFANRHFSA-N 332.451 3.583 0 50 EHAA COc1ccc2c(c1)[C@@H](NC1CSCCSC1)CC(C)(C)O2 1506395009 ALNZBASRBSGAFT-HNNXBMFYSA-N 339.526 3.736 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1 450073 HYXPLHMIKLNFCC-JLHYYAGUSA-N 325.364 3.524 0 50 EHAA Cc1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccc(F)cc1 11690031 IQLFKBMGSHAKEZ-UHFFFAOYSA-N 330.750 3.621 0 50 EHAA CCCCN(CCCC)C(=O)c1nsnc1-c1ccccc1O 17990974 JHCFGQUKCJFDDS-UHFFFAOYSA-N 333.457 3.953 0 50 EHAA C[C@H]1C[C@H](N)CCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 237587226 DOGVGDJGRWJSAP-WCQYABFASA-N 329.271 3.654 0 50 EHAA O=C(N[C@H](C(=O)O)c1ccccc1)c1ccc(-c2ccc(F)cc2)o1 238019747 PCHJHJZESDYJAT-KRWDZBQOSA-N 339.322 3.641 0 50 EHAA C[C@@H]1CCN(c2nnc(C3CC3)n2C[C@H]2CCCCO2)CC1(C)C 240225353 DHJARAWFGKVSGV-GDBMZVCRSA-N 332.492 3.597 0 50 EHAA CC1(C)C[C@@H](c2noc(-c3ccc(N4CCCC4=O)cc3)n2)CCO1 351187657 MQLHTEPMGOFFCG-AWEZNQCLSA-N 341.411 3.536 0 50 EHAA C[C@]1(C(=O)O)C=CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1857783531 WSTHUBAATYEBLH-OAQYLSRUSA-N 349.386 3.651 0 50 EHAA OC1(c2cccc3cnccc23)CCN(Cc2ccccc2F)CC1 952993898 LJCUPOGJCICUBA-UHFFFAOYSA-N 336.410 3.858 0 50 EHAA C=CC(=O)Nc1cccc(CC(=O)N[C@@H](C)c2cccc(Cl)c2)c1 1875353558 XXGMZMWUYUIALT-ZDUSSCGKSA-N 342.826 3.884 0 50 EHAA CC(C)[C@@H]1CN(C(=O)c2c[nH]nc2C2CCOCC2)c2ccccc21 886077502 BGXZKEWVCGTEBL-KRWDZBQOSA-N 339.439 3.704 0 50 EHAA Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)cn2)o1 265280768 OVASFTTWDDXFHG-ZDUSSCGKSA-N 335.201 3.723 0 50 EHAA CCOC(=O)C[C@H](NC(=O)c1ccccc1F)c1ccc(C)cc1 3627285 JTTDYRSXAFACQO-KRWDZBQOSA-N 329.371 3.558 0 50 EHAA O=C(O)C[C@H]1CCN(Cc2ccc(C3CCC3)cn2)CCC1(F)F 2325791896 GTOGJIKWLDHHNU-OAHLLOKOSA-N 338.398 3.671 0 50 EHAA O=C(COc1ccccc1Cl)Nc1cnn(Cc2ccccc2)c1 356088 YPFWSJWGJRLVIJ-UHFFFAOYSA-N 341.798 3.602 0 50 EHAA COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1Cl 359397 FZHOYKQRBJMOMD-UHFFFAOYSA-N 333.800 3.914 0 50 EHAA Cc1ccc(OCC(=O)Nc2ccc(Br)c(C)n2)cc1C 359971 CQFDRFACUQKGGR-UHFFFAOYSA-N 349.228 3.787 0 50 EHAA O=C(Cc1ccccc1)N[C@H](c1ccccc1)[C@H](O)c1ccccc1 405857 FMJDEVUCXSCMSF-FGZHOGPDSA-N 331.415 3.820 0 50 EHAA CC(=O)Nc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 612699 CJYQXBKBOUIEND-UHFFFAOYSA-N 329.356 3.646 0 50 EHAA O=C1[C@@H]2Cc3ccccc3CN2C(=S)N1c1cccc2ccccc12 2788770 IDFHRVLAPSXQOE-IBGZPJMESA-N 344.439 3.898 0 50 EHAA COc1cc(C)ccc1OCCCOc1c(OC)cccc1OC 4724134 JXAAUBWSHRZFED-UHFFFAOYSA-N 332.396 3.869 0 50 EHAA CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2cc1O 5686750 KKFCQJBFHARTOH-UHFFFAOYSA-N 334.375 3.923 0 50 EHAA biogenic CCOc1ccccc1N1CCN(C(=O)Nc2ccccc2F)CC1 6714679 RJIQWWWPPGNAHW-UHFFFAOYSA-N 343.402 3.579 0 50 EHAA Cc1csc(NC(=O)CSc2nc3cc(Cl)ccc3o2)n1 6861370 ONGAEAKZBACGKA-UHFFFAOYSA-N 339.829 3.977 0 50 EHAA O=C(CCc1ccsc1)N1CCO[C@@H](Cc2ccccc2Cl)C1 11873027 JZXHNVJYRNEYFD-INIZCTEOSA-N 349.883 3.804 0 50 EHAA Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 12385742 QTMXVBACQSNESX-CQSZACIVSA-N 343.448 3.880 0 50 EHAA COc1cccc(-c2noc3c2CN(C(=O)c2ccsc2)CC3)c1 12586815 NDSYFFPSCAPLGV-UHFFFAOYSA-N 340.404 3.610 0 50 EHAA COc1ccccc1Oc1ncccc1CNC(=O)c1cccnc1C 15077501 PWWKJEXSXVFQIH-UHFFFAOYSA-N 349.390 3.516 0 50 EHAA Cc1ccc(NC(=O)Cc2cc(C(=O)O)c3ccccc3n2)c(C)c1 19973430 ZACFHUXCBGBLQB-UHFFFAOYSA-N 334.375 3.731 0 50 EHAA O=C(NCCc1c[nH]c2ccccc12)c1ccc([C@H]2CCCN2)s1 20599628 BKTDEVURGZTCMC-MRXNPFEDSA-N 339.464 3.626 0 50 EHAA Cc1cc(CNc2ccc(-c3nc(-c4ccccc4C)no3)cn2)[nH]n1 39447618 JMVSSNXHOZWOSM-UHFFFAOYSA-N 346.394 3.751 0 50 EHAA Cc1ccc(-c2cc(O)c3c(c2)CN(C[C@@H]2CCCO2)CCO3)s1 67804782 ZOLQUABPXSAVJM-INIZCTEOSA-N 345.464 3.803 0 50 EHAA O=C(c1ccco1)N1CCC[C@H](Nc2cc(Cl)c3cc[nH]c3n2)C1 72151667 QPOMMOVAPAYYHJ-NSHDSACASA-N 344.802 3.526 0 50 EHAA CCCCc1nc(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)c[nH]1 72159238 RDFJDURYTFJPGU-UHFFFAOYSA-N 341.434 3.709 0 50 EHAA CN(Cc1cc(-c2ccccc2)no1)C(=O)CCOc1ccccc1 72433468 AREIQPOBCWZOSQ-UHFFFAOYSA-N 336.391 3.769 0 50 EHAA Cc1nccn1C[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 77287457 MNAZFAQNJBGVGV-QGZVFWFLSA-N 333.439 3.565 0 50 EHAA CCCn1ccnc1-c1nccn1-c1cc(OC)cc2cccnc12 77490083 HBOUHVSHVSGKKI-UHFFFAOYSA-N 333.395 3.703 0 50 EHAA C[C@@H](C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1)N1CCCC1 77525009 ZHAMAWZSRLWVIG-KRWDZBQOSA-N 338.451 3.922 0 50 EHAA Cc1ccc(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)c(F)c1F 91289614 QKSIMEXBXHJHTD-UHFFFAOYSA-N 348.437 3.640 0 50 EHAA CC[C@@H]1CN(C(=O)c2cc3cccc(Cl)c3n2C)CCN1C(C)C 91416808 GKSWCELAEIVZQK-OAHLLOKOSA-N 347.890 3.777 0 50 EHAA CCCOc1c(CN2CCC[C@@H]2c2cnn(C)c2)cccc1OCC 131894463 OREFTDWPJPBEGI-GOSISDBHSA-N 343.471 3.945 0 50 EHAA Cc1csc(C2(NCc3cc4ccccc4c(=O)[nH]3)CCCC2)n1 154748138 RMEGWGBMULAIQF-UHFFFAOYSA-N 339.464 3.852 0 50 EHAA COc1cc(OC)c(NCc2nc(C)c(C)o2)cc1Br 155577081 SXUZPXABZMQJHH-UHFFFAOYSA-N 341.205 3.683 0 50 EHAA CC(C)(C)c1cnc(CNC(=O)N[C@@H]2CCCc3sccc32)o1 163245165 HKXJMPKJGALXFS-GFCCVEGCSA-N 333.457 3.910 0 50 EHAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1nc2c(s1)CCCCC2 170596294 VRNIMLVKEAPAJG-JTQLQIEISA-N 347.488 3.645 0 50 EHAA Cc1[nH]ccc1C(=O)Nc1ccccc1NC(=O)Cc1cccs1 176304083 RZYHAYWUCGIBHJ-UHFFFAOYSA-N 339.420 3.818 0 50 EHAA Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@H]2Cn2ccnc2)s1 180538398 AGSWMWMWDQEBAR-AWEZNQCLSA-N 347.488 3.543 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1ccsc1 182395509 IBXKXVSLXFRVSB-HNNXBMFYSA-N 332.473 3.915 0 50 EHAA Cc1ccc(NC(=O)N2Cc3cccc(Br)c3C2)nc1 184625440 LZVLUOYTOALJRQ-UHFFFAOYSA-N 332.201 3.700 0 50 EHAA Cc1ccc(C)c(OC2CCN(C(=O)c3ncc(F)cc3F)CC2)c1 192227587 ITPMYIVJONMNSL-UHFFFAOYSA-N 346.377 3.660 0 50 EHAA O=C(O)c1cc(-c2ccc(CN3CCC[C@@H](CO)C3)o2)ccc1Cl 215738350 DBBSYWBAHZKYLC-GFCCVEGCSA-N 349.814 3.503 0 50 EHAA c1ccc(Cn2cccn2)c(CN2CCCC[C@H]2CCn2cccn2)c1 216256208 HUKUXTJAOZEVEH-NRFANRHFSA-N 349.482 3.573 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N(C)[C@@H](C)Cc3cnccn3)c2c1 299791197 CZFBGUPIAQCYBN-HNNXBMFYSA-N 348.450 3.599 0 50 EHAA CCN(CC)c1ccc(C(=O)N2CC(OCc3ccccc3)C2)cc1 299792989 IFLPRLRXMZENPX-UHFFFAOYSA-N 338.451 3.574 0 50 EHAA CC(C)(C[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1)C(=N)O 332592710 NUUVJQGGGBUIDY-ZDUSSCGKSA-N 327.428 3.972 0 50 EHAA COC(=O)C[C@@H](C)CC(=O)Nc1ncc(-c2cccc(C)c2)s1 345431603 UFLHKBKWYVZGIA-LBPRGKRZSA-N 332.425 3.646 0 50 EHAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1cc(C(C)C)on1)CC2 426442530 KWGRZRWYLRFOTA-YZGWKJHDSA-N 348.487 3.737 0 50 EHAA CCCN1CC[C@H](NC(=O)N(Cc2ccccc2)C2CCCC2)C1 584901887 LOXXLLIRHAHEDD-SFHVURJKSA-N 329.488 3.625 0 50 EHAA C=CC(=O)N(C)CC(=O)N(C1CC1)[C@@H](C)c1ccc2ccccc2c1 858751775 YSZQJLUBDCESFG-HNNXBMFYSA-N 336.435 3.536 0 50 EHAA C[C@@H](NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(O)ccc1F 872065758 BBADICHZQLNQKS-WBVHZDCISA-N 328.431 3.704 0 50 EHAA CCc1nc(N2CC(c3ncc(C4CC4)cn3)C2)c2ccsc2n1 894900802 MRUXSRRNLPPNGK-UHFFFAOYSA-N 337.452 3.525 0 50 EHAA CP(C)(=O)c1ccc(-c2nc(-c3coc(C4CCC4)n3)no2)cc1 904136527 MPGFJDMJLSVQLN-UHFFFAOYSA-N 343.323 3.907 0 50 EHAA Cc1conc1CN1CCC(c2nc(-c3ccncc3)cs2)CC1 932558023 SVMBTZLYEMXUOY-UHFFFAOYSA-N 340.452 3.881 0 50 EHAA C[C@H](C(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1 934360931 OABGKDNRHICCLK-SCRDCRAPSA-N 329.362 3.981 0 50 EHAA COCc1ccc(CNCc2cc(C)c(C3OCCO3)cc2C)cc1 1177170780 KDPYNAMCHJTGLM-UHFFFAOYSA-N 341.451 3.785 0 50 EHAA CCc1nccn1C[C@H](C)N(C)CCCOc1cc(C)cc(C)c1 1506401038 BIGQIIQAQWAQHN-SFHVURJKSA-N 329.488 3.852 0 50 EHAA CCc1ccc(OCCCN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)cc1 1775981867 JIZJQDCASQGEEJ-IBGZPJMESA-N 346.515 3.597 0 50 EHAA COCCC1(CN[C@@H](C)c2ncc(Br)cc2Cl)CC1 1775985162 HBMWPLOWMMPVHE-JTQLQIEISA-N 347.684 3.965 0 50 EHAA O=C(C[C@@H]1CCCc2ccccc21)NC12CCC(C(=O)O)(CC1)CC2 1875304398 JHSJGQFUYALQGC-ATIQYGATSA-N 341.451 3.790 0 50 EHAA CC(=O)c1[nH]c2ccccc2c1C(=O)NCC1(c2ncccc2C)CC1 2325769915 PXGJCFRIAVNUPV-UHFFFAOYSA-N 347.418 3.536 0 50 EHAA Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNc2ccccc2)C(=O)CCC1 448304 GLHLYEOUWZVPLH-KRWDZBQOSA-N 348.446 3.942 0 50 EHAA CC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 2774349 UQOYWIWMBXSKGL-UHFFFAOYSA-N 332.197 3.833 0 50 EHAA O=C(COc1cccc2ccccc12)Nc1ccc2c(c1)OCCO2 4702872 XLHHCRRXQZDXBC-UHFFFAOYSA-N 335.359 3.629 0 50 EHAA Cc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4ccccc4n3)n2)cc1 6702092 RFHGZVAQYMBTFK-UHFFFAOYSA-N 343.390 3.741 0 50 EHAA Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@H](c1ccccc1)C2 9096281 WJLJHGZJBSHZIR-OAHLLOKOSA-N 342.402 3.970 0 50 EHAA C[C@H]1CCCN([C@H](C)CS(=O)(=O)c2ccc3ccccc3c2)C1 102961992 APQVXJNBJOYYKX-JKSUJKDBSA-N 331.481 3.734 0 50 EHAA CSc1ccc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 57903554 TVTZOYXCEWLKNO-UHFFFAOYSA-N 340.492 3.933 0 50 EHAA O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc(-c2ncc[nH]2)cc1 115353020 JBCYNVDHTKTFIV-SFHVURJKSA-N 333.391 3.719 0 50 EHAA O=C(c1ccc2c(c1)CNC2)N1CCC(Cc2ccccc2F)CC1 347539775 TYUFBDDAODWNEK-UHFFFAOYSA-N 338.426 3.524 0 50 EHAA CC(C)c1ccccc1NC(=O)c1cccc(CN=c2ccnc[nH]2)c1 348415428 RJKRPISHWCQVEB-UHFFFAOYSA-N 346.434 3.886 0 50 EHAA CC(C)C[C@@H](C(=O)Nc1n[nH]c(C2CCCCC2)n1)n1cccc1 409413335 IBUXFFSHLDMBLD-HNNXBMFYSA-N 329.448 3.880 0 50 EHAA O=C(c1cccc2c1CCC2)N1CC2(CCC2)[C@@H]1C1CCOCC1 425120555 KUZPDROJDUFIGA-IBGZPJMESA-N 325.452 3.597 0 50 EHAA Cc1nc(-c2cccc(NC(=O)c3ccc4ncccc4c3)c2)no1 123142448 UUBYJLZQROIXNN-UHFFFAOYSA-N 330.347 3.846 0 50 EHAA Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1scnc1C 253410547 HWGUDAWXVLMSEY-UHFFFAOYSA-N 332.816 3.851 0 50 EHAA CN(CC1CCC1)C(=O)c1nc(Br)sc1C1CC1 253432918 PTTKBRQQXFYBPC-UHFFFAOYSA-N 329.263 3.655 0 50 EHAA CCc1ncc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)cn1 71761559 BKHDFCAQVMDJOV-INIZCTEOSA-N 341.430 3.663 0 50 EHAA O=C(c1c[nH]nc1-c1cccs1)N1CC[C@H](c2ccccc2F)C1 77388314 BFFNWMTZKTYDGX-LBPRGKRZSA-N 341.411 3.907 0 50 EHAA CCSc1cc(Cl)ccc1C(=O)NC[C@@H](O)c1ccco1 127060458 XGEZZNSZJYZMBH-GFCCVEGCSA-N 325.817 3.508 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N(C)C[C@@H]3CCCCO3)c2c1 77385569 GORXVEGTTJMQNX-INIZCTEOSA-N 326.440 3.747 0 50 EHAA O=C(NC1CCCCCC1)c1cc2nccc(-c3cccs3)n2n1 13643844 GTWPGQLWBDOBNM-UHFFFAOYSA-N 340.452 3.910 0 50 EHAA Cc1cccc(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)C[C@H]2C)c1 82109599 VRAKRDKDBPKYMK-CQSZACIVSA-N 342.826 3.526 0 50 EHAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@@H]1CCc2ccccc2C1 82120178 SLRVBEDGTLKHTO-GOSISDBHSA-N 347.418 3.500 0 50 EHAA COC(=O)c1ccc(OC2CCN(Cc3ccccc3)CC2)c(F)c1 86003065 QIMVDOFTCBBATE-UHFFFAOYSA-N 343.398 3.656 0 50 EHAA CC[C@@H](c1ccnn1C)n1cc(-c2ccccc2-c2ccco2)nn1 91594083 UTIYHDQHSXMOEM-KRWDZBQOSA-N 333.395 3.938 0 50 EHAA Cc1cc(C)c2c(CC(=O)N3CCC[C@@]4(CCOC4)C3)coc2c1C 91745486 WPWNXAIJBCWORL-OAQYLSRUSA-N 341.451 3.930 0 50 EHAA Cc1cccc([C@@H](C(=O)NCc2cc(-c3ccccc3)no2)N(C)C)c1 95361317 OSYBONHNBSFENY-FQEVSTJZSA-N 349.434 3.569 0 50 EHAA Cc1ccc(-c2cc(C(=O)NCc3coc(-c4ccccc4)n3)[nH]n2)o1 91757432 XETZGSCUDBCHAJ-UHFFFAOYSA-N 348.362 3.563 0 50 EHAA CCCO[C@@H]1CCCN(C(=O)Nc2cccc(N(C)C)c2C)CC1 180146095 MMKYOZIWLDDCBL-MRXNPFEDSA-N 333.476 3.874 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1 91664867 VVSAXDKPPFSQDI-GFCCVEGCSA-N 335.810 3.715 0 50 EHAA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2[C@]23CCCC[C@]12CC3 247752385 UEUJJEIJBISRCK-CQSOASKCSA-N 333.431 3.949 0 50 EHAA CC[C@H](NC[C@H]1CCO[C@H]1c1cnn(CC)c1)c1ccc(F)cc1F 299754060 SYMHHTHZAYNWNH-ZNZDAUKMSA-N 349.425 4.000 0 50 EHAA O=C(NCc1cccs1)[C@H](c1ccc(F)cc1)N1CCCCC1 827647331 BHUNXYJEYGSJSR-KRWDZBQOSA-N 332.444 3.731 0 50 EHAA C/C(=C\c1cccc(Cl)c1)C(=O)N1[C@H]2CC[C@H]1c1cncnc1C2 1348942179 HMYMDVVLVAETGB-YNJLASJJSA-N 339.826 3.822 0 50 EHAA COc1ccccc1C[C@H](C)NCc1noc(-c2cccc(F)c2)n1 170088949 RKOWQGQGPALMLH-ZDUSSCGKSA-N 341.386 3.605 0 50 EHAA O[C@@H]1Cc2ccccc2[C@@H]1Nc1ncc(Br)cc1Cl 170612337 FLDDFQZHWIGYBC-OLZOCXBDSA-N 339.620 3.568 0 50 EHAA O=C(c1cc(Cl)nc(Cl)c1)N1CCS[C@H](C(F)(F)F)C1 721407810 UMRKWJPDTGYCKJ-ZETCQYMHSA-N 345.173 3.508 0 50 EHAA C[C@H]1CC(C)(C)N(C(=O)c2cn(C(C)(C)C)nn2)c2ccccc21 191944659 RMGNKWFBISHYCH-ZDUSSCGKSA-N 326.444 3.966 0 50 EHAA CCCn1c(C)nnc1CNc1cnn(-c2ccccc2C)c1CC 192691008 JZHJBXCIVJMPLW-UHFFFAOYSA-N 338.459 3.665 0 50 EHAA COc1ccc(CN2CC[C@H](c3sccc3C)[C@@H](O)C2)c(F)c1 210384279 DWUNOKIOIUAIIU-RDJZCZTQSA-N 335.444 3.555 0 50 EHAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2cn(C)nc2C)C1 15079212 NVSQWJKQBCSVJD-HNNXBMFYSA-N 345.874 3.785 0 50 EHAA Cc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)no1 16605162 KSGDEGQGNYDRED-UHFFFAOYSA-N 339.189 3.542 0 50 EHAA Cc1ccc(C(=O)Nc2nnc(COc3ccccc3)s2)s1 16606120 AVWGPYSJMAPZLZ-UHFFFAOYSA-N 331.422 3.739 0 50 EHAA Cc1cccc(NC(=S)N2CCN(Cc3ccccc3)CC2)c1C 18265733 AGZZRVHGQLMULC-UHFFFAOYSA-N 339.508 3.818 0 50 EHAA O=C(/C=C/c1ccc2c(c1)OCO2)NCCSC1CCCCC1 2817283 NSZVGZQHZKYAHZ-VQHVLOKHSA-N 333.453 3.611 0 50 EHAA COC(=O)c1ccsc1NC(=O)c1cccc(C(F)(F)F)c1 4281361 YRENOAMJHWBZGD-UHFFFAOYSA-N 329.299 3.806 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(CO)[C@@H]3CC[C@]12C 5383369 FIHWBGCIKMXLBI-KXXIFBCNSA-N 330.468 3.696 0 50 EHAA C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)C1 2634212 ALBPCHSSLHAJOF-QWRGUYRKSA-N 337.876 3.813 0 50 EHAA CCc1nc([C@]2(c3cccs3)CC2(C)C)n(CCc2cnc[nH]2)n1 1857732369 NNKLZLXGYBZOGR-GOSISDBHSA-N 341.484 3.584 0 50 EHAA C[C@@H]1C[C@H](N)CCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 237383641 DOGVGDJGRWJSAP-DGCLKSJQSA-N 329.271 3.654 0 50 EHAA Cc1cccc(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)O)c1Cl 455907038 ACZRGJYZRUCNDT-BBRMVZONSA-N 345.826 3.710 0 50 EHAA COCc1csc(NC(=O)c2ccc(N3CCCCCC3)cc2)n1 932939110 UILNCZGXIPBBMH-UHFFFAOYSA-N 345.468 3.922 0 50 EHAA Cc1n[nH]cc1CN[C@@H]1CCN(Cc2ccccc2)c2ccccc21 1775986743 VWVHDCDSBRYGAG-HXUWFJFHSA-N 332.451 3.959 0 50 EHAA CC(C)(C)OC(=O)C1(c2nc(-c3ccncc3)cs2)CCOCC1 1775994712 HBDRTHHBOUSCDW-UHFFFAOYSA-N 346.452 3.595 0 50 EHAA O=C1NCCCC[C@H]1Oc1ccc(OCC2CC3(CCC3)C2)cc1 2325823746 CRDMIWGTNOKBGO-GOSISDBHSA-N 329.440 3.693 0 50 EHAA O=c1c2ccccc2c(-c2ccccc2)nn1CCc1ccccn1 52063 KQTDIWPBWACYEM-UHFFFAOYSA-N 327.387 3.701 0 50 EHAA Cc1ccc(C)c(N[C@H](NC(=O)c2ccco2)C(=O)c2ccccc2)c1 190688 NTNQBQNYRIXLMV-HXUWFJFHSA-N 348.402 3.947 0 50 EHAA CC(C)c1ccc(C(=O)CSc2nc(-c3ccncc3)n[nH]2)cc1 285814 UAXPANBUCMSWKF-UHFFFAOYSA-N 338.436 3.965 0 50 EHAA COC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 299538 RVPYLVXAESWXNB-CQSZACIVSA-N 338.190 3.638 0 50 EHAA COc1ccc(NC(=O)COc2cccc3ccccc23)cc1OC 441868 CJYXLIBVHMBRDW-UHFFFAOYSA-N 337.375 3.875 0 50 EHAA CC(=O)N(c1cccc(C)c1)[C@H]1SC(=O)N(c2ccccc2)C1=O 973216 NELKCNYFCQOAKP-KRWDZBQOSA-N 340.404 3.574 0 50 EHAA COc1ccc2c(Cl)c(C(=O)N3C[C@H](C)O[C@@H](C)C3)sc2c1 1056073 GUYBGBUMUKHPFA-UWVGGRQHSA-N 339.844 3.813 0 50 EHAA CCOC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12 1070503 IIGATCWUWDOLLU-UHFFFAOYSA-N 331.322 3.819 0 50 EHAA O=C1O[C@]2(c3ccc(F)cc3)[C@@H](OC(=O)C23CCCC3)C12CCCC2 2484859 PHGYMSVEXAWLCS-MGPUTAFESA-N 344.382 3.624 0 50 EHAA O=C(c1ccccc1)c1ccc(Oc2nnnn2-c2ccccc2)cc1 3420651 HFJXLUFLKZMIGQ-UHFFFAOYSA-N 342.358 3.686 0 50 EHAA Cc1c(CN2CCC[C@H]3CCCC[C@@H]32)c(=O)n(-c2ccccc2)n1C 4022321 WMSDSHMGTFQZQA-XLIONFOSSA-N 339.483 3.639 0 50 EHAA CCCCCNC(=O)CSCc1ccc(Br)cc1 4833695 XFEYDICRZVHVJX-UHFFFAOYSA-N 330.291 3.989 0 50 EHAA C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 4857445 CWTQLDAXKWUWQL-JTQLQIEISA-N 337.206 3.809 0 50 EHAA COc1ccc(-c2nnc(SCc3ccccc3F)n2C)cc1 5131593 SWKKCYPTHFHXPO-UHFFFAOYSA-N 329.400 3.922 0 50 EHAA CCOC(=O)c1sc(C)c2c(=O)[nH]c(-c3ccc(Cl)cc3)nc12 5817616 FROOLIRUCQIEOQ-UHFFFAOYSA-N 348.811 3.790 0 50 EHAA Cc1ccnc(SCC(=O)Nc2c(Cl)cccc2Cl)n1 6726928 UJEHSDXTFJVZJT-UHFFFAOYSA-N 328.224 3.823 0 50 EHAA CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC(C)(C)C 6730544 MWWHCCLFYRATLD-UHFFFAOYSA-N 336.823 3.720 0 50 EHAA O=C(CCc1ccco1)N1CCO[C@@H](Cc2cccc3ccccc23)C1 11879955 FLPNNKHMLHDTMT-FQEVSTJZSA-N 349.430 3.836 0 50 EHAA COc1ccc(C(=O)[C@H]2CCCN(C3CCCCC3)C2)c(OC)c1 12373099 JIJVKJSSDXXYSA-HNNXBMFYSA-N 331.456 3.931 0 50 EHAA CCCCN(C)C(=O)c1coc(COc2cccc3cccnc23)n1 12385220 IQGILXXWQAKBKR-UHFFFAOYSA-N 339.395 3.674 0 50 EHAA Cc1ccc2nc(-c3ccccc3)c(CN3CCN(C)CC3)c(O)c2c1 19791952 MQBUUXCSDWKGFR-UHFFFAOYSA-N 347.462 3.663 0 50 EHAA CC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 35813219 DZSLHAJXIQCMLR-FQEVSTJZSA-N 339.391 3.778 0 50 EHAA in-vitro COc1cccc(CN(C)c2ccc(-c3nc(C(C)C)no3)cn2)c1 39500241 XLELVVMATOVQLZ-UHFFFAOYSA-N 338.411 3.900 0 50 EHAA Cc1ccc(-c2ccc(N3CCC(NCCCCO)CC3)cc2)cc1 63855560 HKYNKUPFNFOIQA-UHFFFAOYSA-N 338.495 3.993 0 50 EHAA COc1cccc(NC(=O)c2ccc(Oc3ccc(C)nn3)cc2)c1 72442059 PSOWZUVGNFRTIE-UHFFFAOYSA-N 335.363 3.838 0 50 EHAA Cc1ccc(OC2CCN(Cc3cnc(NC(C)C)nc3)CC2)cc1 72480633 WUKATTLCKQVYOF-UHFFFAOYSA-N 340.471 3.649 0 50 EHAA O=C1CC2(CCN(CC3CC3)CC2)CN1Cc1ccc(Cl)cc1 77516686 PMNGQVMHONGWOZ-UHFFFAOYSA-N 332.875 3.565 0 50 EHAA CCCc1cc(C(=O)NCC2(c3ccccc3F)CCCC2)[nH]n1 91663054 HSDJMTAFFVLOBM-UHFFFAOYSA-N 329.419 3.743 0 50 EHAA CC(C)(C)OC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 95495976 MJCHTXDEKYWEOM-UHFFFAOYSA-N 347.846 3.945 0 50 EHAA O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(Cc2ccccc2Cl)CC1 103473489 CCNKDCUBFVUSRV-URLQWDBASA-N 346.902 3.857 0 50 EHAA COC[C@@H]1CCCN(C(=O)c2c(-n3cccc3)sc3c2CCC3)C1 134683434 KHZPOKYHIJBYKS-CQSZACIVSA-N 344.480 3.526 0 50 EHAA CCC1CCC(CNC(=O)c2sc(-c3ncccn3)nc2C)CC1 149657099 NBGVKFNAKMCJKG-UHFFFAOYSA-N 344.484 3.855 0 50 EHAA Cc1cccc(-c2cncc(C(=O)Nc3cccc4c3C(=O)NC4)c2)c1 151601478 YBSSDUDYKYAEHE-UHFFFAOYSA-N 343.386 3.553 0 50 EHAA Cc1cc(C(=O)NCC2([C@@H](O)c3ccccc3)CC2)c(F)cc1F 156012709 VQJUGBDHUNVPKD-KRWDZBQOSA-N 331.362 3.517 0 50 EHAA Cc1n[nH]c(C)c1NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 161821701 ATPWAHUOYSLSIT-LBPRGKRZSA-N 348.275 3.730 0 50 EHAA Cc1cc(C)n(CCOC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)n1 170637452 NLFPFEJQRGGDFU-OLZOCXBDSA-N 336.794 3.639 0 50 EHAA CCNc1nc(C)c(C(=O)N2CCC[C@H]2c2cc(C(C)C)on2)s1 218989304 XHDAGFLFSNDWKZ-ZDUSSCGKSA-N 348.472 3.972 0 50 EHAA Cc1ccccc1C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O 221032867 VEISDHRYJDNLDB-HOTGVXAUSA-N 333.428 3.638 0 50 EHAA COc1cc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)cc(Cl)c1O 225498357 NADJESYHBHPQHO-XHDPSFHLSA-N 346.814 3.673 0 50 EHAA C[C@@H](c1nc(C2CC2)no1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 229624649 URRAZDDREZGNDJ-GXTWGEPZSA-N 337.427 3.764 0 50 EHAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc2ccccc2s1 240744101 HUMCFTWFFZEXMI-YUELXQCFSA-N 330.453 3.602 0 50 EHAA COC(=O)C[C@H](c1oc2ccccc2c(=O)c1O)C1CCCCC1 253402138 GBHLNPFLTKSCMK-AWEZNQCLSA-N 330.380 3.726 0 50 EHAA biogenic Cc1ccsc1CNC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328628440 HGNWHDOTOXRTSL-NSHDSACASA-N 329.391 3.624 0 50 EHAA CCn1ncc(NC(=O)N2CC[C@H](C3CCCC3)C2)c1C(F)(F)F 333576341 SUBCWVGMKMELFD-LBPRGKRZSA-N 344.381 3.966 0 50 EHAA COc1ccc(-c2ccc(NC(=O)c3cc(C)no3)nc2)cc1Cl 366379322 SMERXWCBITYPGT-UHFFFAOYSA-N 343.770 3.959 0 50 EHAA C[C@@H](c1ccc(-c2ccc(-n3ccnc3)nn2)cc1)N1CCCCC1 426578727 ORGYYZUOKJVGDR-INIZCTEOSA-N 333.439 3.876 0 50 EHAA O=C(NCCCn1cccc1)N(Cc1ccccn1)C1CCCCC1 534660518 NQRPVLQLGNTJQX-UHFFFAOYSA-N 340.471 3.818 0 50 EHAA CC(C)(C)C[C@H](NC(=O)Cn1cc2ccccc2n1)c1cccnc1 534675261 GIVRYDOZCGPURY-SFHVURJKSA-N 336.439 3.725 0 50 EHAA c1ccc(N2CC[C@H](NCC3(N4CCCCC4)CCCC3)C2)cc1 820414231 XVFDFYWXPMMZKC-IBGZPJMESA-N 327.516 3.654 0 50 EHAA CCCn1c(C)nc2cc(NC(=O)c3cnn(C(C)C)c3)ccc21 823026474 BHTUTOVVSFDQMB-UHFFFAOYSA-N 325.416 3.784 0 50 EHAA CC[C@@](C)(NC(=O)c1ccnc(Cl)c1Cl)c1nccs1 900790639 SKIZAPHQJIPKNT-CYBMUJFWSA-N 330.240 3.900 0 50 EHAA N=C(NOC[C@@H]1C[C@H]2[C@@H](C1)C2(F)F)c1ccccc1Br 902621089 VUHOYYXKRRJTFP-GUDFOSOFSA-N 345.187 3.587 0 50 EHAA Cn1nc(CNC(=O)Nc2cccnc2-c2ccccc2)cc1C1CC1 930549716 BTBSJBDTUCCQPC-UHFFFAOYSA-N 347.422 3.681 0 50 EHAA Cc1ccc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc2n1 1258945954 KKNWKBWWEYRDHB-UHFFFAOYSA-N 334.347 3.622 0 50 EHAA COc1ccc(-c2cc(C)nc(N3CCCC3)n2)c2ccc(C)nc12 1506398833 GAMCYNZYLBECJD-UHFFFAOYSA-N 334.423 3.917 0 50 EHAA Cc1cc(C[C@@H]2CN(Cc3c(C)sc4ccccc34)C[C@@H]2O)on1 1529158754 KRPMXOYRAASWGP-KDOFPFPSSA-N 342.464 3.542 0 50 EHAA Cc1ccc([C@H]2CN(C(=O)Nc3cccc(F)c3)C[C@@H]2N(C)C)cc1 1565507884 ZCRFLUKTZQTKQS-MOPGFXCFSA-N 341.430 3.696 0 50 EHAA CC(C)[C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1N(C)C 1565515682 XTOBRDPDSUXYHI-CVEARBPZSA-N 330.394 3.603 0 50 EHAA Cc1ccc(-c2nc([C@@H]3CC(=O)N(C(C)C)C3)n(C(C)C)n2)cc1 1875346955 FLPQPZQUAQLOJM-MRXNPFEDSA-N 326.444 3.559 0 50 EHAA N=c1cc(N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(Cl)c[nH]1 2325764470 SBHBLDLHZBJVSU-SNVBAGLBSA-N 346.793 3.812 0 50 EHAA CN(C)Cc1ccc(C(=O)N(C)Cc2csc3ccccc23)[nH]1 2325816589 FKBJVROCFNEJRH-UHFFFAOYSA-N 327.453 3.563 0 50 EHAA Cn1ncc(NC(=O)c2cc3ccccc3[nH]2)c1Cc1ccccc1 2325821378 JZPOBESLCWEORV-UHFFFAOYSA-N 330.391 3.745 0 50 EHAA Cc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)cc1C 45100 ZWDMGGLKEQSLPT-FQEVSTJZSA-N 348.402 3.947 0 50 EHAA CCOC(=O)N1CCC(NC(c2ccccc2)c2ccccc2)CC1 757742 BIDCJYUBRVTWJL-UHFFFAOYSA-N 338.451 3.987 0 50 EHAA O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1ccc(F)cc1 2755592 WMXLYICDOKNDOB-UHFFFAOYSA-N 342.804 3.890 0 50 EHAA O=C(c1ccccc1OC[C@@H]1CCCN2CCCC[C@H]12)N1CCCC1 55052757 HMRWMVSBOXGLPM-PKOBYXMFSA-N 342.483 3.566 0 50 EHAA C[C@H](CO[C@@H]1CCOC1)Nc1nc2cc(C(F)(F)F)ccc2s1 133815878 KWWQLCZBOUKHJR-MWLCHTKSSA-N 346.374 3.921 0 50 EHAA C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1Br)c1cccnc1 248231688 BVYMODJVOGISLL-CQDKDKBSSA-N 345.240 3.825 0 50 EHAA CCC1=NO[C@@H](Cn2ccc(-c3cccc(-c4cnccn4)c3)n2)C1 23580682 VARMWEACOOYKFI-QGZVFWFLSA-N 333.395 3.562 0 50 EHAA C[C@H](O)CCn1cnc(-c2ccccc2)c1-c1cnc(N(C)C)s1 65470221 RHCXCQDEHACTRI-ZDUSSCGKSA-N 342.468 3.511 0 50 EHAA CC(C)(C)C(=O)N1CCC(Nc2ccc(-c3csnn3)cc2)CC1 119701271 NAENRSUVHOJWPT-UHFFFAOYSA-N 344.484 3.654 0 50 EHAA CC(C)C[C@@H](C)OC(=O)N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 253420408 WVUAAFZKPJOMPX-ZIAGYGMSSA-N 341.473 3.654 0 50 EHAA CC(=O)c1ccc(OCC(=O)c2ccc(Br)cc2)cc1 859318 VSIYGCFXZSSVGB-UHFFFAOYSA-N 333.181 3.913 0 50 EHAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC(c2ncc[nH]2)CC1 215942626 KXCWCEKFSYHFHW-UHFFFAOYSA-N 346.434 3.800 0 50 EHAA Cc1n[nH]cc1CNC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 280918801 UZCSFNMIQNMEGI-UHFFFAOYSA-N 346.862 3.635 0 50 EHAA CN(Cc1cccc(N(C)C)c1)C(=O)CCc1c[nH]c2ccccc12 156197209 WEOATHOQGRUMCB-UHFFFAOYSA-N 335.451 3.825 0 50 EHAA CC[C@H](O)CSc1nnc(SCc2ccc(F)cc2)s1 156177716 LNHGZYRHNPXMEY-NSHDSACASA-N 330.475 3.833 0 50 EHAA O=C(Oc1ccc(NC(=O)C2CC2)cc1)c1noc2c1CCCCC2 128629737 FRPIUKOMHARVOK-UHFFFAOYSA-N 340.379 3.511 0 50 EHAA Cc1cc(-n2nc(C)cc2NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)nc(C)n1 333902651 TYKHLJLEWGFFAG-XHBSWPGZSA-N 341.459 3.598 0 50 EHAA Cc1sc(C(=O)N2CCC(C(=O)O)CC2)cc1-c1ccc(F)cc1 237695635 SVABCXHWDNYQSV-UHFFFAOYSA-N 347.411 3.799 0 50 EHAA Cc1nc2ccc(NC(=O)N3CCC[C@]3(C)Cc3ccccc3)cn2n1 289320896 BPKPFZXABCEGFQ-HXUWFJFHSA-N 349.438 3.667 0 50 EHAA CCOC(=O)c1ccc(NC(=O)N(CC)[C@H]2CCOC(C)(C)C2)cc1 97775544 NCGDFOXCTXPSID-INIZCTEOSA-N 348.443 3.675 0 50 EHAA Cc1ccc([C@H](CNC(=O)c2sc(C(C)C)nc2C)N(C)C)o1 91985939 ZTKLDIHBTMQUFA-ZDUSSCGKSA-N 335.473 3.509 0 50 EHAA CCCc1cc(C(=O)N(Cc2cccnc2)C2CCCCC2)[nH]n1 91906864 RAAJRXWISSGNCE-UHFFFAOYSA-N 326.444 3.732 0 50 EHAA COc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1 98023186 BDCUKYUIVYKXCQ-UHFFFAOYSA-N 340.408 3.535 0 50 EHAA CCc1cc(OC)c(CCNCc2ccccc2OC)cc1OC 96024579 PXDVGFGXPVCNAB-UHFFFAOYSA-N 329.440 3.607 0 50 EHAA in-vitro C[C@@H](CC(=O)N(C)Cc1cnc2ccccc2c1)N1CCCCCC1 244884148 YGJAXLCDTHFWLQ-KRWDZBQOSA-N 339.483 3.848 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 257357294 NFVCQZNBRFPYOP-CZYZYLBHSA-N 334.500 3.566 0 50 EHAA Nc1cc(Br)c(Br)cc1OC(F)(F)F 263624772 UAEDUKCOOBBCRX-UHFFFAOYSA-N 334.917 3.692 0 50 EHAA CC(C)Cc1cc(C(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)n[nH]1 952963399 QMZCGJFOWABLEI-UHFFFAOYSA-N 325.416 3.860 0 50 EHAA Cc1nc(-c2ccccc2)oc1C(=O)NC[C@H](C)CC(F)(F)F 408521089 ICLZGHOZDBAFMC-SNVBAGLBSA-N 326.318 3.968 0 50 EHAA COCc1noc([C@@H](C)N2CCC(c3ccc(Cl)cc3)CC2)n1 185798284 ZTQNHMDLVXOTTE-GFCCVEGCSA-N 335.835 3.810 0 50 EHAA C[C@@H]1CCCCN1C(=O)c1ccc(NCc2ncccn2)cc1Cl 190349385 XQBVVQZNEUPYMC-CYBMUJFWSA-N 344.846 3.757 0 50 EHAA CCCN(C(=O)c1cccs1)C1CCN(C[C@@H]2CCC=CO2)CC1 194076680 POGTYOYTFJDCCF-KRWDZBQOSA-N 348.512 3.757 0 50 EHAA Fc1cccc(-c2nnc(COc3nnc(-c4ccccc4)o3)o2)c1 741850102 KGIKZXWROSDTGX-UHFFFAOYSA-N 338.298 3.505 0 50 EHAA C[C@@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(O)c1 194875053 OOOKTWBSWLBBLV-OAHLLOKOSA-N 347.418 3.890 0 50 EHAA CCc1cnc(C)nc1NCC1(c2cccc(F)c2)CCOCC1 1529126343 CZBWWZHAOJHMFI-UHFFFAOYSA-N 329.419 3.647 0 50 EHAA CN(Cc1cc(CN2CCCCC2)cs1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529172833 JCKNSWXWPMJROX-QGFMHUBQSA-N 348.556 3.715 0 50 EHAA Cc1cc(N2CCC[C@@H](c3nc[nH]n3)C2)nc2cc3c(cc12)CCC3 1704297163 HUNJREYAKGHIIH-MRXNPFEDSA-N 333.439 3.534 0 50 EHAA O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccccc1 464748 ZVHYMGOHRJWSMZ-UHFFFAOYSA-N 339.464 3.804 0 50 EHAA Cc1ccc([C@H]2CC(=O)c3cnn(-c4nc(C)cc(C)n4)c3C2)cc1 2199750 AZRHMNYSWNHMBV-MRXNPFEDSA-N 332.407 3.500 0 50 EHAA CC[C@@H](C)CNC(=O)CCc1nnc(CCCCc2ccccc2)o1 11844344 HWKGDOFUZQSZGY-MRXNPFEDSA-N 343.471 3.730 0 50 EHAA CCN(CC)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 12612132 IFASFAXEVCNPPK-UHFFFAOYSA-N 345.424 3.654 0 50 EHAA Cc1ccc(-c2nc([C@H]3CC(=O)N(C4CCCCC4)C3)no2)cc1F 169762181 AUHUXLOTGRAHHQ-AWEZNQCLSA-N 343.402 3.833 0 50 EHAA Cc1cc(C)c(NC(=O)C(=O)NCc2ccccc2Cl)c(C)c1 2352624 KLWZSQXYWSRGCJ-UHFFFAOYSA-N 330.815 3.520 0 50 EHAA Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 6700733 NJNMAZNXKKBTPS-CYBMUJFWSA-N 334.847 3.768 0 50 EHAA Cc1cccc(Cn2nc(NC(=O)c3ccc4c(c3)OCO4)cc2C)c1 6701427 SQFSMCNRDDEGDM-UHFFFAOYSA-N 349.390 3.529 0 50 EHAA Cc1ccsc1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857676386 GSUQXEAXCDTHQE-QKLQHJQFSA-N 341.476 3.655 0 50 EHAA CN1CC[C@@H](C2CCN(Cc3c[nH]nc3C3CCCCC3)CC2)C1 12317778 BHFXDGKCVAMRBP-GOSISDBHSA-N 330.520 3.621 0 50 EHAA CC(C)c1noc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)n1 459529474 MAVLOFJNLFTDRH-KRWDZBQOSA-N 329.444 3.577 0 50 EHAA CC1(C)CCC(CC(=O)NCc2nnc(C3CC3)n2C2CC2)CC1 135856160 SNKDHNRDTRYGTQ-UHFFFAOYSA-N 330.476 3.713 0 50 EHAA Cc1nn(C)c2ncc(NC(=O)[C@@H]3CCc4c(Cl)cccc43)cc12 678815342 VJUCFJRONVEFKR-CQSZACIVSA-N 340.814 3.599 0 50 EHAA O=C(Cc1c[nH]c2ncccc12)NC1(c2ccc(Cl)cc2)CCC1 156916860 LKUIZCGXCZSYAN-UHFFFAOYSA-N 339.826 3.954 0 50 EHAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2)N1 34792427 XGVZWMNWLZHJDM-IRXDYDNUSA-N 340.810 3.598 0 50 EHAA in-vitro CN1CCC(n2ncc3cc([C@@H]4C[C@H]4c4ccccc4)cnc32)CC1 952880516 VRHNFKNPCWGFNV-PMACEKPBSA-N 332.451 3.969 0 50 EHAA Cc1ccc2c(c1)S[C@H](C(=O)N[C@H]1CCCC[C@H]1n1cccn1)C2 1875261511 ORONLHMXIWOOKR-JZXOWHBKSA-N 341.480 3.508 0 50 EHAA Cc1nc([C@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)[nH]c1C 1775998620 FBQQFTYZJXPENV-HNNXBMFYSA-N 331.847 3.629 0 50 EHAA Cc1ccc(NC(=O)CSc2nnnn2C2CCCCC2)c(C)c1 304655 RVRGYDGWDXVHPJ-UHFFFAOYSA-N 345.472 3.526 0 50 EHAA Brc1ccsc1-c1ccnc(NCc2ccccn2)n1 2325723076 NUADSPSOMSSFOS-UHFFFAOYSA-N 347.241 3.975 0 50 EHAA CCc1ccc([C@H]2CNCCN2C(=O)c2cc3ccc(C)cc3[nH]2)cc1 2325857448 BKRWMZHUWMIKHJ-OAQYLSRUSA-N 347.462 3.825 0 50 EHAA O=C(CSc1ccccc1)Nc1nnc(-c2cccs2)s1 355294 JBPCNLVMXKDYGU-UHFFFAOYSA-N 333.463 3.997 0 50 EHAA Cc1nnc(SCc2nc(-c3ccccc3)no2)n1-c1ccccc1 620299 OGZZXHOYKSEQRG-UHFFFAOYSA-N 349.419 3.918 0 50 EHAA C[C@@H](CO)CN(Cc1ccccc1)Cc1ccccc1Cn1cccn1 55053647 CWRIIBHWHFYTQE-LJQANCHMSA-N 349.478 3.562 0 50 EHAA O=C(c1ccccc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 100784037 ONAFYSXUZBYFOI-UWHLTILDSA-N 336.479 3.722 0 50 EHAA biogenic CC(C)Cn1cncc1CNC(=O)CC12CC3CC(CC(C3)C1)C2 55270521 NKTUNKNANDNKKF-UHFFFAOYSA-N 329.488 3.762 0 50 EHAA CC(C)c1cc(C(=O)N(Cc2ccc(F)cc2)C[C@H]2CCCO2)on1 55359893 JXXARWLCVZOGRK-MRXNPFEDSA-N 346.402 3.759 0 50 EHAA Cc1cc(C)c2cc(C(=O)N3CCOC[C@@H]3c3ccc(C)o3)[nH]c2c1 116864952 PDLBDNHWGLFTDF-GOSISDBHSA-N 338.407 3.900 0 50 EHAA CC(=O)N(C)c1ccc2c(c1)NC(=O)C[C@@H]2c1cc(C)ccc1F 65421222 KJBALTGQHVRXRY-HNNXBMFYSA-N 326.371 3.591 0 50 EHAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 248032435 LUACHLYKLITYPO-BZSNNMDCSA-N 341.430 3.643 0 50 EHAA Cc1cccc(Cl)c1OCCNCc1cccc(CN(C)C)c1 32500669 WSRQICXKYNYYJS-UHFFFAOYSA-N 332.875 3.879 0 50 EHAA C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cnc2ccccc2n1 229636237 WSCDYOZJOCWCBA-SXGZJXTBSA-N 347.418 3.621 0 50 EHAA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc(C)c2)cc1 3623650 ALORHDQVCRIEBJ-GOSISDBHSA-N 341.407 3.730 0 50 EHAA CC(C)c1noc([C@@H]2CCCN2Cc2ccc(-c3cc[nH]n3)s2)n1 77354500 ZPICAMXCLOMGHW-AWEZNQCLSA-N 343.456 3.982 0 50 EHAA CC(C)C[C@@H](O)C1CCN(C(=O)c2ccccc2OC(F)F)CC1 77524018 LMDNSSFYGDOOSF-OAHLLOKOSA-N 341.398 3.547 0 50 EHAA COc1ccnc(N2CCC[C@H]2c2nc(C3CCCCC3)co2)n1 364347861 RHOSFBGTQNFWJQ-HNNXBMFYSA-N 328.416 3.862 0 50 EHAA Cc1cc(N2CCC[C@@H](c3nc4ccccc4o3)C2)n2nc(C)cc2n1 72428244 WQISYOLMWGCLSJ-OAHLLOKOSA-N 347.422 3.871 0 50 EHAA CC(C)[C@H]1CN(Cc2ccc(O)c(Cl)c2)CCCN1CC1CC1 71721287 CYJPZVRURVGRHE-GOSISDBHSA-N 336.907 3.988 0 50 EHAA Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)c(O)c1 333030900 HNBZATDATDQXOP-LJQANCHMSA-N 337.419 3.525 0 50 EHAA O=C([C@H]1CCc2ccccc21)N1CCCN(Cc2cccs2)CC1 215354705 KYINKJMIFGSBMW-IBGZPJMESA-N 340.492 3.512 0 50 EHAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2onc3c2CCCC3)no1 426489824 YHIUEEZQIKVJAP-HNNXBMFYSA-N 329.400 3.642 0 50 EHAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccccc2-n2cncn2)C1 82161014 NDBFYVRIWCSMNF-QGZVFWFLSA-N 346.434 3.596 0 50 EHAA CN(Cc1cccc(Cl)c1)C(=O)NCc1cc(C(C)(C)C)n[nH]1 426538666 VJKXFQNHIVJYNV-UHFFFAOYSA-N 334.851 3.702 0 50 EHAA CSc1cccc(C)c1NC(=O)N1CCC(c2c[nH]cn2)CC1 239807486 CSIKCWKHHVWWHV-UHFFFAOYSA-N 330.457 3.852 0 50 EHAA Cc1nc(-c2ccc(NC(=O)c3nccc4ccccc34)cc2)n[nH]1 338115198 QPWLPCVSNFJVDT-UHFFFAOYSA-N 329.363 3.581 0 50 EHAA CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)N2CCOC[C@@H]2CO)c1 97696301 PDFSTTKHFZGGOE-HNNXBMFYSA-N 348.487 3.507 0 50 EHAA CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2ccccc2Cl)NC(=O)N1 244724638 MXVHDCQSVCRVKH-HQQWDMGQSA-N 348.830 3.700 0 50 EHAA COCC1(CNC(=O)N(C)[C@@H](C)c2cccc(OC)c2)CCCC1 534672387 ZCWYOEHDIXCNBQ-HNNXBMFYSA-N 334.460 3.604 0 50 EHAA COC(=O)c1sccc1C(=O)Nc1ccc(N2CCCC2)c(F)c1 1345651626 HZUDCOOUFSWZBL-UHFFFAOYSA-N 348.399 3.526 0 50 EHAA c1cncc([C@H]2N(c3nc(C4CCOCC4)ns3)CC23CCC3)c1 1354266340 LKVBDRCXGHACEL-OAHLLOKOSA-N 342.468 3.559 0 50 EHAA CN(C)Cc1ccc(C(=O)Nc2ccccc2CN2CCCC2)cc1 952987450 LCBSJCAJPDPIOZ-UHFFFAOYSA-N 337.467 3.596 0 50 EHAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1csc(C(C)(C)C)n1 274061529 NGHZXJXZSBYRQN-UHFFFAOYSA-N 346.378 3.754 0 50 EHAA c1ccc(-n2nc(C3CC3)cc2-c2nnc(-c3ccccn3)o2)cc1 170127514 JKEBRTXGANJMJP-UHFFFAOYSA-N 329.363 3.862 0 50 EHAA CCc1noc([C@H](C)N(C)CCOc2ccc(C(F)(F)F)cc2)n1 190369881 DZTJQCXQVOTRAZ-NSHDSACASA-N 343.349 3.723 0 50 EHAA CC(C)(c1nc(-c2ccc(Oc3ncccn3)cc2)no1)C(F)F 685227536 BNGYHOIMIOBSTH-UHFFFAOYSA-N 332.310 3.862 0 50 EHAA COc1ccc2c(c1)[C@@H](C(=O)Nc1cc(C(=O)O)cs1)CCC2 656239618 ZMBCPCDFBFDDKY-ZDUSSCGKSA-N 331.393 3.514 0 50 EHAA Cc1[nH]c2c(C(=O)Nc3c4c(nn3C)CSC4)cccc2c1C 1506419574 SJWPJOWGTGTHRZ-UHFFFAOYSA-N 326.425 3.517 0 50 EHAA CCOc1ccccc1C(=S)N1CCN(c2ccccc2F)CC1 611941 NFZCWVMEWSGTIO-UHFFFAOYSA-N 344.455 3.722 0 50 EHAA Cc1ccc2nc(NC(=O)[C@H](C)Sc3cc(C)ncn3)sc2c1 12000520 HADPAOLWPHMIGA-NSHDSACASA-N 344.465 3.822 0 50 EHAA CC(C)N1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1 12382511 KSPAQGRGMKYXNC-UHFFFAOYSA-N 329.271 3.525 0 50 EHAA CCc1c(C)sc(NC(=O)c2cc(C)on2)c1C(=O)OC(C)C 13327244 DUDDSPBBOVAIKT-UHFFFAOYSA-N 336.413 3.733 0 50 EHAA CN1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 5100068 WNSYZUCOWVUFAM-UHFFFAOYSA-N 345.446 3.844 0 50 EHAA CCCCOc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 1787832 XVVFHQQKCCWZKF-GOSISDBHSA-N 327.380 3.644 0 50 EHAA O=[S@@](CC=Cc1ccccc1)Cc1csc(-c2ncccn2)n1 1857527461 NFFYXCUFUQKPDS-QHCPKHFHSA-N 341.461 3.562 0 50 EHAA Cc1cccc(CNC(=O)[C@@H]2[C@H]3CC[C@@]2(c2ccnn2C2CCC2)C3)c1 1857527987 QFXYJSFWFZTBHW-XJABCFGWSA-N 349.478 3.901 0 50 EHAA C[C@H](c1ccc2c(c1)OCCCO2)n1ccnc1-c1cnsc1 1857695102 UIUBSQZSCDJSRB-GFCCVEGCSA-N 327.409 3.777 0 50 EHAA CCO[C@H]1C[C@@H](Nc2ccccc2S(=O)(=O)CC)C12CCCC2 301361876 OUMCVACHYSYZAE-SJORKVTESA-N 337.485 3.630 0 50 EHAA CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 5292241 OYDMDVAWACLEQO-YJBOKZPZSA-N 340.423 3.966 0 50 EHAA in-vitro C[C@H]1CCC[C@](O)(CNc2cc(-c3ccccc3)nc3ccnn23)C1 1875301895 VGHHTTCKZSZZEX-MGPUTAFESA-N 336.439 3.749 0 50 EHAA CCOc1cc(NC(=O)c2ccc3cnccc3n2)cc(OCC)c1 1875331758 BIPIMNKQZWKSFJ-UHFFFAOYSA-N 337.379 3.680 0 50 EHAA CCC[C@@H](CC)c1nc(-c2nc[nH]n2)nn1C[C@@H]1CCCC1(F)F 1875336374 YKJZYEMTOUEYGY-NEPJUHHUSA-N 338.406 3.792 0 50 EHAA C[C@@]1(CC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CCCO1 2325776311 SOMBTHNIUCAGGK-IBGZPJMESA-N 344.386 3.588 0 50 EHAA CN[C@@H](C(=O)Nc1cncc(Cl)c1)c1cccc(Cl)c1Cl 2325850203 OYGOUYZBEKASIZ-CYBMUJFWSA-N 344.629 3.941 0 50 EHAA C[C@@H](NC(=O)c1ccn(C(C)(C)C)n1)c1ccc(C(F)(F)F)nc1 874642579 ZYABLFCUZCUBRC-SNVBAGLBSA-N 340.349 3.543 0 50 EHAA OCc1nc2ccccc2n1CCOc1ccc(Cl)cc1Cl 317754 YLLXDBZUMAUJBP-UHFFFAOYSA-N 337.206 3.914 0 50 EHAA Brc1ccc([C@@H]2C[C@H](c3ccco3)n3ncnc3N2)cc1 350201 KGBANOITGSDVPF-QWHCGFSZSA-N 345.200 3.780 0 50 EHAA COc1cc(NC(=O)COc2ccc(Cl)cc2C)cc(OC)c1 1212244 DTMSCSYTRMHZPE-UHFFFAOYSA-N 335.787 3.683 0 50 EHAA Cc1ccc(-c2nc3ccccn3c2CN2CCC(C(=O)O)CC2)cc1 2599736 DYXFBTWEELXXOM-UHFFFAOYSA-N 349.434 3.606 0 50 EHAA CCOC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C 4992266 RHXIYUSNGKSPLQ-UHFFFAOYSA-N 337.423 3.841 0 50 EHAA COc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(OC)c1 6288957 MOPBWVQKWVPVPA-UHFFFAOYSA-N 329.249 3.513 0 50 EHAA Cc1ccc(SCc2ccc(C(=O)NCCN(C)C)cc2)cc1 10111510 VWVDZYCMFXWZEF-UHFFFAOYSA-N 328.481 3.579 0 50 EHAA Cc1ccc(OCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 10296752 GXPKSYQRGBYKKT-LJQANCHMSA-N 341.407 3.570 0 50 EHAA COc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 225616929 KSCUIYQXRQTNRH-OTWHNJEPSA-N 345.483 3.515 0 50 EHAA Cc1cccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)C(C)C)c2)c1 9231710 YYRNNIINBIDEKG-OAHLLOKOSA-N 340.423 3.996 0 50 EHAA COCc1cc(C)nc2sc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(N)c12 9236128 ZCWIVTULPZWVHG-GXFFZTMASA-N 347.484 3.642 0 50 EHAA CCCc1ccc2oc(C(=O)N[C@@H](C)c3cnn(C)c3)c(C)c2c1 12206918 JVOZBOSSQIOCKK-ZDUSSCGKSA-N 325.412 3.918 0 50 EHAA CC(C)c1ocnc1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 67724878 JADYBFCLLDITKY-AWEZNQCLSA-N 334.803 3.665 0 50 EHAA c1cc(-c2cnccn2)cc(-c2ccn(CCCN3CCCCC3)n2)c1 23251635 HFRZTEKAMVVFRF-UHFFFAOYSA-N 347.466 3.883 0 50 EHAA O=C(Nc1ccc(F)cc1)N1CCN(Cc2cccc(Cl)c2)CC1 20437214 QRJPVHMTPUIEQB-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(O)c(Cl)c1 143557399 QIRXZCKVNGEQES-YJBOKZPZSA-N 345.826 3.943 0 50 EHAA CC[C@@H](NC(=O)C(=O)N[C@@H](c1ccccc1)C(C)C)c1ccccc1 252488082 IIXPALUCZKQOBF-RTBURBONSA-N 338.451 3.767 0 50 EHAA COc1c(C)cnc(CN2CCO[C@H](CC3CCCCC3)C2)c1C 71746240 IKIBBGWBUNDQQU-GOSISDBHSA-N 332.488 3.878 0 50 EHAA O=C(c1ccoc1C1CC1)N1CCC[C@@H]1C[C@H](O)c1cccs1 253430493 JOLCJPXQLRLJDA-HIFRSBDPSA-N 331.437 3.947 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)Nc1cccc(OCC(F)F)n1 122728296 BMKPGJOCPYUIMF-UHFFFAOYSA-N 338.314 3.543 0 50 EHAA COc1ccnc(CN2CCCC[C@@H]2CCc2ccc(O)cc2)c1 72161373 DBFKQXIPDXKHNP-GOSISDBHSA-N 326.440 3.783 0 50 EHAA Cc1ccc2nc(N3CCC(CCN4CCCC4=O)CC3)sc2c1 77503306 RLXRBWUTTDMYAV-UHFFFAOYSA-N 343.496 3.834 0 50 EHAA O=C(CCCc1cc(Cl)sc1Cl)N[C@@H]1C[C@H]2CC[C@@H]1O2 157317064 MZBCQADZSWXYOD-MXWKQRLJSA-N 334.268 3.814 0 50 EHAA CCOC1CCN(c2cc(-c3ccccc3)nc3cc(C)nn23)CC1 72417853 FAHOJSQGMFRLHS-UHFFFAOYSA-N 336.439 3.710 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N(Cc2nccs2)C2CC2)c1 72422142 FORWZMXXLYLFOU-UHFFFAOYSA-N 344.480 3.651 0 50 EHAA CCOC(=O)c1nc(COC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cs1 129773476 ZVMZCPOPYZGTHN-OLZOCXBDSA-N 337.441 3.601 0 50 EHAA CCS[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)C1 241157280 JWKASENQKVUWHH-KFWWJZLASA-N 336.505 3.547 0 50 EHAA O=C1NC(=O)/C(=C/c2ccc(OCCc3cccs3)cc2)S1 45337634 NTKWOUHXDKSPIX-UVTDQMKNSA-N 331.418 3.694 0 50 EHAA in-vitro CC(=O)Nc1ccc(-c2cn([C@@H](c3cccnc3)C(C)C)nn2)cc1 82106562 OECPQKYFABXXEE-LJQANCHMSA-N 335.411 3.544 0 50 EHAA C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cnn(CC(F)F)c1 177870322 HIKFEDSVMIRUAK-IUODEOHRSA-N 334.370 3.558 0 50 EHAA C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cnn(CC(F)F)c1 177870350 HIKFEDSVMIRUAK-DOMZBBRYSA-N 334.370 3.558 0 50 EHAA CCn1nc(C)c([C@H](C)NC(=O)c2ccccc2OC(F)F)c1C 223359328 BAQJKIVDEZBHSV-JTQLQIEISA-N 337.370 3.612 0 50 EHAA CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1 426395415 RMGRDEWXRRWVBC-GOSISDBHSA-N 328.843 3.783 0 50 EHAA CCn1nc(CNc2nccc(-c3ccccn3)n2)c2ccccc21 97522498 SXCCXAVEECPKKG-UHFFFAOYSA-N 330.395 3.520 0 50 EHAA Cc1ccc(N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)nc1 91770499 IXUMISZGUXLYKI-FQEVSTJZSA-N 327.472 3.542 0 50 EHAA O=C(c1cccc2[nH]ccc12)N1CCSC[C@H]1c1nccs1 184166576 XTFGNIXWUSIFCF-AWEZNQCLSA-N 329.450 3.555 0 50 EHAA CC(=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 253611293 WOUWWZYKGYDVMI-DEPZYBTGSA-N 332.484 3.774 0 50 EHAA Cc1nc(C(=O)Nc2cc(F)ccc2F)nn1-c1cccc(Cl)c1 252497028 PXMRPWMZJWVODG-UHFFFAOYSA-N 348.740 3.760 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1coc(-c2cccc(F)c2)n1 299744293 RVMBUTRICLLGOV-DQYPLSBCSA-N 344.386 3.698 0 50 EHAA O=C(COCC(F)(F)C(F)F)N[C@H]1CCCC[C@@H]1c1ccccc1 1565526349 BZDAENKNNSSVKQ-KGLIPLIRSA-N 347.352 3.746 0 50 EHAA CC(=O)Nc1ccc(-c2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)cc1 276891014 HOZMEAUECVRNCF-UPJWGTAASA-N 328.416 3.629 0 50 EHAA Cc1nc(CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)no1 278816932 ICBRXBPEVGSCOY-UHFFFAOYSA-N 349.434 3.529 0 50 EHAA CCN(C(=O)c1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1C 279037608 PXKFOOLYSWGOCG-GOSISDBHSA-N 325.408 3.829 0 50 EHAA C[C@H](C1CC1)N(C(=O)Nc1nc(-c2cccnc2)cs1)C1CC1 170705982 ZQDPWPYJXCHRDP-LLVKDONJSA-N 328.441 4.000 0 50 EHAA Cc1nnc(CN(C)c2ncnc3sc4c(c23)CC[C@H](C)C4)s1 664636236 PQDSRFWUJAQGHI-VIFPVBQESA-N 345.497 3.612 0 50 EHAA COc1ccc(C(=O)Oc2ccccc2C(C)=O)cc1Br 587239 IEZCHDFARMHTLA-UHFFFAOYSA-N 349.180 3.880 0 50 EHAA c1ccc(-c2cc(NCCN3CCOCC3)c3ccccc3n2)cc1 408692 GSUHOMSETADTQR-UHFFFAOYSA-N 333.435 3.646 0 50 EHAA CCN(CCC(=O)Nc1cc(OC)ccc1OC)Cc1ccccc1 455151 YTTHQSLTSRFSDP-UHFFFAOYSA-N 342.439 3.555 0 50 EHAA O=C1Nc2ccc(Br)cc2[C@@]12Nc1ccccc1S2 2197196 FLDCHWKLJVSDQH-AWEZNQCLSA-N 333.210 3.772 0 50 EHAA Cc1cc(C)cc(-n2nnc(-c3nnc(-c4ccccc4)o3)c2C)c1 12274309 DCAFTLOAKLZINU-UHFFFAOYSA-N 331.379 3.910 0 50 EHAA Nc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)nc1O 18099294 RTQSHOXJYRXVCK-UHFFFAOYSA-N 344.827 3.772 0 50 EHAA CCOc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 19537352 ANTJDYKAPLNMOW-RMKNXTFCSA-N 336.479 3.916 0 50 EHAA CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CCC2 2740599 BNMJBPVZAUCSLD-UHFFFAOYSA-N 343.448 3.985 0 50 EHAA Cc1cc(N2CCOCC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 2336379 LVCWSVFECONCQU-UHFFFAOYSA-N 342.830 3.503 0 50 EHAA Cc1ccccc1OCC(=O)NCCSc1ccc(Cl)cc1 2985248 AXJQCNAVQZSMJK-UHFFFAOYSA-N 335.856 3.936 0 50 EHAA O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc2ccccc2s1 122451506 HTPCXICTSVSFKC-UHFFFAOYSA-N 338.436 3.635 0 50 EHAA COc1cccc([C@H](C)N[C@H](C)C(=O)N[C@H]2CCc3ccccc32)c1 240900703 ITGYEGBVCFBUDO-MDOVXXIYSA-N 338.451 3.538 0 50 EHAA c1cnc2[nH]cc([C@H]3CCCN(Cc4noc5c4CCCC5)C3)c2c1 931370474 XKGYDCZOTJDIOB-AWEZNQCLSA-N 336.439 3.809 0 50 EHAA COc1cc(Cl)c(Cl)cc1-c1nnc([C@H]2CCCOC2)o1 886084639 UJLQYDAPNSNBAA-QMMMGPOBSA-N 329.183 3.946 0 50 EHAA C[C@]1(CC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CCCO1 2325779431 CIRGFIBVWOMKNS-MAUKXSAKSA-N 347.846 3.839 0 50 EHAA Fc1cnc(N[C@@H]2CC[C@@H]3CNCC[C@@H]3C2)nc1-c1ccsc1 2325838922 CUNPTYVTUPMCFB-YRGRVCCFSA-N 332.448 3.534 0 50 EHAA C[C@@H](NC(=O)c1cc(C(=O)O)cs1)c1ccc(C(F)(F)F)cc1 2325870925 UZLMLDQVUAWJJG-MRVPVSSYSA-N 343.326 3.956 0 50 EHAA CN1[C@H]2CC[C@H]1CN(C(=O)Nc1cc(-c3ccco3)ccc1F)CC2 245344060 XFDPESIYUIWLMH-GJZGRUSLSA-N 343.402 3.786 0 50 EHAA O=C(NCc1ccccc1)c1cccc(C(=O)NCc2ccccc2)c1 183229 ANTGUVVFULXKBJ-UHFFFAOYSA-N 344.414 3.547 0 50 EHAA Cc1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1C 268624 JORUHHZNMDBGMZ-UHFFFAOYSA-N 337.375 3.736 0 50 EHAA biogenic Cc1cc(C)nc(SC[C@H](O)COc2ccc(C(C)(C)C)cc2)n1 271658 DTGCMOOXUOOBLH-MRXNPFEDSA-N 346.496 3.923 0 50 EHAA COc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 302278 QMRNYNJYQSJTAB-UHFFFAOYSA-N 331.315 3.515 0 50 EHAA COc1ccc(C(NC(=O)c2ccco2)c2ccc(OC)cc2)cc1 337611 FYHXEJSAKQDVNQ-UHFFFAOYSA-N 337.375 3.816 0 50 EHAA S=C(NC[C@@H]1CCCO1)Nc1ccc(Nc2ccccc2)cc1 536497 YJEVKZGAQCUGIV-KRWDZBQOSA-N 327.453 3.896 0 50 EHAA COc1ccc(C)cc1C(=O)Cc1cc2cccc(OC)c2oc1=O 1076409 BNHIFRGACLZYQQ-UHFFFAOYSA-N 338.359 3.544 0 50 EHAA Cc1cc(C)nc(Nc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)n1 1278825 XJRFJVUAQPYETR-UHFFFAOYSA-N 335.198 3.929 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)CCCOc1ccccc1C 1772487 SCNLDUBIFLGUPC-UHFFFAOYSA-N 341.407 3.969 0 50 EHAA O=C(Nc1ccc(Br)cc1)C(=S)NCc1ccccc1 4831929 TYVHAINZPNNKSD-UHFFFAOYSA-N 349.253 3.505 0 50 EHAA C[C@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(Cl)cc1Cl 4834096 WIYQPGDOIYFSQF-SCRDCRAPSA-N 332.271 3.996 0 50 EHAA COc1ccc(NC(=O)Nc2nnc(Cc3ccccc3)s2)cc1 9166884 JASJDQNYOOCBDY-UHFFFAOYSA-N 340.408 3.782 0 50 EHAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2ccncc2)C1 12578057 KNXWTOULYSVKPO-SFHVURJKSA-N 346.434 3.711 0 50 EHAA COc1ccc(OC)c([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)c1 13132398 GSRAOCFBLPUDPV-HNNXBMFYSA-N 349.390 3.568 0 50 EHAA COc1cc(/C=C/CN2Cc3ccccc3O[C@@H](C)C2)ccc1O 19799250 DLIAMZAUSOPHKV-NFAHFFEMSA-N 325.408 3.697 0 50 EHAA CC(C)n1cc(CN2CCC[C@H](N(C)Cc3ccccc3)C2)cn1 23373057 VAGCDBVUQFMOTF-FQEVSTJZSA-N 326.488 3.560 0 50 EHAA Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1C 33088838 BSFFNNIXUQPMNR-CQSZACIVSA-N 332.403 3.988 0 50 EHAA O=c1[nH]c(Nc2ccc(Cl)cc2)nc2nccc(-c3ccncc3)c12 36357444 FWCUWVSBUUZOEN-UHFFFAOYSA-N 349.781 3.777 0 50 EHAA CN(C)C(=O)CCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 36565644 HXFYFQOXIRTCPB-UHFFFAOYSA-N 330.815 3.613 0 50 EHAA CCc1ccc2nc(-c3cnn(CC)c3)cc(C(=O)N3CCCC3)c2c1 63844704 FCXWPHUSUXNPCS-UHFFFAOYSA-N 348.450 3.917 0 50 EHAA CC(C)c1n[nH]c2c1CN(C(=O)CCc1c[nH]c3ccccc13)CC2 67694982 QIGRENFKIAMJFI-UHFFFAOYSA-N 336.439 3.532 0 50 EHAA c1cc(-c2nccn2-c2ccc3nccnc3c2)cc(-n2cccn2)c1 71551846 XRIVITAVYIADSU-UHFFFAOYSA-N 338.374 3.668 0 50 EHAA COc1cc(O)ccc1-c1nccn1[C@H]1CCN(Cc2ccccc2)C1 71764946 LUQGDKMCKKRHIX-KRWDZBQOSA-N 349.434 3.711 0 50 EHAA Cc1nccn1C[C@@H]1CCCN(Cc2c(Cl)cncc2Cl)C1 72146467 ANNIWIPIAVGBCF-CYBMUJFWSA-N 339.270 3.806 0 50 EHAA Fc1ccccc1CN1CCC[C@]2(CCN(c3nccs3)C2)C1 72168330 OTRAJUGJBODBSQ-SFHVURJKSA-N 331.460 3.775 0 50 EHAA CN(C)c1ccccc1C(=O)N1CCC(Oc2cccc(F)c2)CC1 77407575 DRGYQLMTVCNUGE-UHFFFAOYSA-N 342.414 3.575 0 50 EHAA C[C@@H](C(N)=O)n1cc(-c2ccc(SCc3ccccc3)cc2)cn1 96152484 NTHHEQKTKSLTCR-AWEZNQCLSA-N 337.448 3.889 0 50 EHAA CCC[C@H](C)c1nnc(NC(=O)C23CC4C[C@@H](C2)C(=O)[C@@H](C4)C3)s1 102319225 VGNJTRYNECWOBD-DDRWHMGTSA-N 347.484 3.776 0 50 EHAA COC(=O)c1ccc(NC(=O)c2oc(CC3CC3)nc2C)cc1Cl 170608824 QMPFCBHYBUZVBZ-UHFFFAOYSA-N 348.786 3.628 0 50 EHAA CC(C)c1noc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)n1 183476053 GGSAUKWNFRRWCA-LBPRGKRZSA-N 335.276 3.864 0 50 EHAA O=C(c1cccnc1C(F)(F)F)N1CCS[C@@H]2CCCC[C@@H]21 188970336 IHFYDPLVBMYDOE-NWDGAFQWSA-N 330.375 3.601 0 50 EHAA Cc1cc(C(=O)N[C@H]2CCOc3c(F)cccc32)c(C)n1C1CC1 188984863 AAVNAXLQOWLQDG-KRWDZBQOSA-N 328.387 3.833 0 50 EHAA O=C(NCc1cccs1)N1CC2(CCOCC2)c2ccccc21 190199971 UDPDEVXXXXVPBN-UHFFFAOYSA-N 328.437 3.526 0 50 EHAA CC[C@@H](NC(=O)NCc1ccc2ncccc2c1)c1c(C)noc1C 194277560 AIWAPUKVUCQJII-MRXNPFEDSA-N 338.411 3.790 0 50 EHAA COCc1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)ncn1 214993747 BXYUUUXCFFLBRE-UHFFFAOYSA-N 327.428 3.549 0 50 EHAA O=C(NCCc1ccncc1)c1cc(C(F)(F)F)ccc1Cl 215936436 LEAWPNFSTRFORC-UHFFFAOYSA-N 328.721 3.726 0 50 EHAA CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1CN1CCCC1 216104619 VNNKANAHIAXOPG-UHFFFAOYSA-N 340.515 3.935 0 50 EHAA C[C@H](CCn1cccn1)NC(=O)c1ccccc1Oc1ccccc1 219891844 MGVSWVYNIKMIKT-MRXNPFEDSA-N 335.407 3.884 0 50 EHAA Cc1ccc(Cc2cnc(NC(=O)[C@H]3CC[C@H](N)C3)s2)cc1Cl 237830189 IAFOMHNVWXZLPF-STQMWFEESA-N 349.887 3.762 0 50 EHAA Cc1cc(CN(C)C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)no1 253427772 DXGKLQRYSKEESX-GOEBONIOSA-N 331.391 3.600 0 50 EHAA C[C@@]1(NC(=O)CCc2ccccc2C(=O)O)CCCc2ccccc21 262231624 SMEOTRFAOBJWTQ-OAQYLSRUSA-N 337.419 3.685 0 50 EHAA Cc1nc(C)c(C(=O)N(C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)o1 288094346 HPPLLDHPPKREMX-HOTGVXAUSA-N 328.412 3.610 0 50 EHAA O=C(NC[C@@H](C(=O)O)c1ccccc1)c1c(Cl)cccc1Cl 315627475 UJBXJTYWHAYUES-LLVKDONJSA-N 338.190 3.592 0 50 EHAA CN(Cc1ccccc1Br)C(=O)C(C)(C)c1ccccn1 328589841 JWZAQIZXZDNEKK-UHFFFAOYSA-N 347.256 3.780 0 50 EHAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H](C)CCc1c(F)cccc1F 408515995 DMPUUBYENNJPLH-BVGQSLNGSA-N 349.425 3.622 0 50 EHAA Cc1cccc(Cl)c1C(=O)N[C@H]1CCc2cn(C(C)C)nc2C1 450194690 HRMZJSLEXQNHRU-AWEZNQCLSA-N 331.847 3.713 0 50 EHAA Cc1cc([C@@H]2CCCN2C(=O)NCCCc2nc(C)c(C)s2)on1 584903229 VSZHTVFKCPOGQA-AWEZNQCLSA-N 348.472 3.536 0 50 EHAA CC(C)c1ccc(CCCNC(=O)c2ccccc2-n2cnnc2)cc1 670448175 IDUJRLHSGXFPFD-UHFFFAOYSA-N 348.450 3.753 0 50 EHAA CC(C)n1cc(C(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)cn1 828206436 SDNNVTPGKYXJLM-GOSISDBHSA-N 343.427 3.664 0 50 EHAA Cc1cnn(CC2CCN(Cc3cc4c(Cl)nccc4o3)CC2)c1 876710925 OPTBOBKFDVDKPR-UHFFFAOYSA-N 344.846 3.898 0 50 EHAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C/C=C/c2ccc(F)c(F)c2)C1 888102784 MBDWTUDSHIAKJI-WZYSVALVSA-N 347.409 3.780 0 50 EHAA CC1(C)CCN(C(=O)NCc2cccnc2O)C[C@H]1c1ccccc1 896038419 OVMQDHIWGDGUPM-KRWDZBQOSA-N 339.439 3.513 0 50 EHAA CC[C@](C)(NC(=O)c1ccnc(Cl)c1Cl)c1nccs1 900790640 SKIZAPHQJIPKNT-ZDUSSCGKSA-N 330.240 3.900 0 50 EHAA O=C(O)C[C@H](c1ccccc1)C1CCN(Cc2cncs2)CC1 901599644 MFTKIIJAYGZUKP-QGZVFWFLSA-N 330.453 3.614 0 50 EHAA C[C@@H](c1ccccc1)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 952884200 VZYSVIHMLXNSAJ-GXTWGEPZSA-N 338.377 3.596 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@H](C2CC2)O1 1529152046 OCEKIEDUQMRPGG-SJKOYZFVSA-N 341.373 3.914 0 50 EHAA CCOc1ccc(CN2CCC3(CCC(CC(=O)O)CC3)CC2)nc1 1776926710 YXQZGLJUIVPIRD-UHFFFAOYSA-N 346.471 3.727 0 50 EHAA CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NCC=Cc1ccccc1OC 1857529004 JYNBPCYJPAOBCO-PKOBYXMFSA-N 344.499 3.581 0 50 EHAA Cc1nsc(N)c1C(=O)NCc1ccc(Oc2ccccc2)cc1 1875335568 UOLRGJMRBZURRT-UHFFFAOYSA-N 339.420 3.756 0 50 EHAA OC1CCN(Cc2ccc(NCc3ccc4ccncc4c3)cc2)CC1 2325773886 SCEIRUNMPUGYDD-UHFFFAOYSA-N 347.462 3.804 0 50 EHAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)OCO3)c1 37913 JRWUNJCNRLZLBY-UHFFFAOYSA-N 327.380 3.865 0 50 EHAA CC1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1 91892 SBHWYXLDNBJAHX-UHFFFAOYSA-N 341.846 3.764 0 50 EHAA COc1cc(SC)ccc1C(=O)NCCc1c[nH]c2ccccc12 308364 QLWVYRVEADBFKJ-UHFFFAOYSA-N 340.448 3.871 0 50 EHAA Cc1cc(O)c(NC(=S)NC(=O)c2ccccc2Cl)cc1C 342138 FMPFBPLFLVOYLH-UHFFFAOYSA-N 334.828 3.789 0 50 EHAA C[C@@H](NC(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CCCO1 611192 KDXAXJKBXLVHHA-PELKAZGASA-N 347.640 3.792 0 50 EHAA COc1ccccc1Nc1ncnc2c1cnn2Cc1ccccc1 1797068 VZAUMRGQFRYSJY-UHFFFAOYSA-N 331.379 3.627 0 50 EHAA C[C@H](c1ccco1)n1cc(Oc2ccccc2)c(=O)c(C(=O)O)c1 55310161 DIYNWRTXCHUJOK-GFCCVEGCSA-N 325.320 3.541 0 50 EHAA CN1CCC=C(CN(C(=O)c2ccc(C(F)(F)F)cc2)C2CC2)C1 67954945 BEKOYADSHKJQPD-UHFFFAOYSA-N 338.373 3.572 0 50 EHAA CCc1ccc2occ(C(=O)N3CCC(Cc4ncc[nH]4)CC3)c2c1 348305418 HRIBNVSVLGECFF-UHFFFAOYSA-N 337.423 3.813 0 50 EHAA CCc1nc(C)sc1CNC(=O)[C@@H](CC)Nc1cccc(OC)c1 65491077 JJYPSTKANZRRBY-MRXNPFEDSA-N 347.484 3.529 0 50 EHAA Cc1cc(C)c(CNCc2ccc3c(c2)C[C@H](C)O3)c(C)c1CO 55168894 QIHUQGKBTIADEY-HNNXBMFYSA-N 325.452 3.717 0 50 EHAA Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cncnc3)nc2c1C 63856569 VFVTTYBBXONDIQ-CQSZACIVSA-N 346.434 3.933 0 50 EHAA CCCN1CCC2(CC1)Nc1ccccc1N(CC(C)(C)C)C2=O 63835068 CASWHWXFMZEHHT-UHFFFAOYSA-N 329.488 3.736 0 50 EHAA CCOC(=O)NC(C)(C)COC(=O)Nc1cccc2ccccc12 22205589 MCKHBYVWGYTNQF-UHFFFAOYSA-N 330.384 3.913 0 50 EHAA CC(C)c1nc(CN2CCN(c3nccc4ccccc34)CC2)co1 65502459 YVWKSNZAWUBYPP-UHFFFAOYSA-N 336.439 3.668 0 50 EHAA C[C@@]12CC3CC(C(=O)N[C@H]4CCN5CCC[C@H]5C4)(C1)C[C@](C)(C3)C2 252512644 UDAXJCVJNFABGB-MAWWAHAJSA-N 330.516 3.726 0 50 EHAA Cc1ncc(C(=O)Nc2ccc3nc(N(C)C)ccc3c2)c(C(C)C)n1 172106101 AFIXMJAVGXRXSO-UHFFFAOYSA-N 349.438 3.775 0 50 EHAA Cc1ccc2c(=O)cc(C(=O)N3CCCC[C@@H]3c3ccccn3)oc2c1 72432927 WCYYOUDZHFZIHF-QGZVFWFLSA-N 348.402 3.864 0 50 EHAA O=C(c1ccccc1)[C@H]1CCCN([C@@H]2CCN(c3ccccc3)C2)C1 32561064 SCUUTEDYFUSFSY-PZJWPPBQSA-N 334.463 3.860 0 50 EHAA O=C(Nc1ccc(OC(F)F)cc1)c1cc2ccccc2oc1=O 6329375 XBRALBWRZRPMCH-UHFFFAOYSA-N 331.274 3.647 0 50 EHAA Cc1ccccc1[C@H](C(C)C)N(C)C(=O)c1cnn(C(C)C)c1N 253393154 APZCIDRECRFNPN-KRWDZBQOSA-N 328.460 3.824 0 50 EHAA C[C@H](c1ccccn1)N(C)Cc1cnc(NCc2ccccc2)nc1 215117546 AJFUNNWJLKKIDK-MRXNPFEDSA-N 333.439 3.677 0 50 EHAA O=C(COc1ccc(C(F)(F)F)cc1F)NCc1cccs1 253418884 CECQERDLDATKPI-UHFFFAOYSA-N 333.306 3.601 0 50 EHAA Cn1nccc1C1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 124282036 HNFCVNZUWXAUET-UHFFFAOYSA-N 338.238 3.747 0 50 EHAA O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)c(F)c1 364667409 AYPUHOBYGAYRNX-UHFFFAOYSA-N 346.308 3.731 0 50 EHAA O=C(CCc1ccc(O)nc1)N1C[C@@H](c2ccccc2)c2ccccc21 376032079 YLEUQQGAXHKSLX-IBGZPJMESA-N 344.414 3.899 0 50 EHAA CC(C)c1cc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)no1 77517068 YRJBIPBRZKIBHF-MRXNPFEDSA-N 327.428 3.821 0 50 EHAA CC(C)c1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1 13325202 TWMCHUITRZETSE-UHFFFAOYSA-N 338.455 3.555 0 50 EHAA CN(C)c1ncc(CN2CCCC[C@@H]2CCc2ccc(O)cc2)s1 72137268 NHMIGMNKVHUKJW-MRXNPFEDSA-N 345.512 3.902 0 50 EHAA O=C(O)CC[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 262191843 IAWNHGKKYHPIHB-OAHLLOKOSA-N 326.396 3.541 0 50 EHAA CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1cn(C)nc1C 172598814 OYRARGWSUGSERZ-ABAIWWIYSA-N 332.473 3.570 0 50 EHAA O=C(NCCSC1CCCC1)C1CCN(Cc2ccccc2)CC1 72442164 PTXHTGHYZZYETO-UHFFFAOYSA-N 346.540 3.691 0 50 EHAA CC(=O)Nc1cc(NC(=O)c2oc(CC3CC3)nc2C)ccc1Cl 239722566 CDMQNZGBEQVICC-UHFFFAOYSA-N 347.802 3.800 0 50 EHAA O[C@@H](COCc1ccccc1)CN1CCc2sccc2[C@H]1C1CC1 241383260 MTSHBMUYWLEZSD-YLJYHZDGSA-N 343.492 3.635 0 50 EHAA Cc1ccccc1CS(=O)(=O)N1CCCC[C@H]1c1nccs1 175383268 IQRJCPDSGFVTMM-HNNXBMFYSA-N 336.482 3.509 0 50 EHAA C/C(=C\C(=O)Nc1ccc2c(c1)oc(=O)n2C)c1cccc(Cl)c1 176208042 RKZFIBFNHFXHAG-DHZHZOJOSA-N 342.782 3.827 0 50 EHAA Cc1c(Cl)cc(C(=O)NCc2csc(N(C)C)n2)cc1Cl 95392503 RHYXNVGTVDARIM-UHFFFAOYSA-N 344.267 3.754 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)NC[C@H](C)n1ccnc1 95519719 VTTAHQMTPJMMEQ-ZDUSSCGKSA-N 330.432 3.572 0 50 EHAA CC1(C)CCC(CNC[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 179438563 CSKBENKLIZEGDQ-LJQANCHMSA-N 328.500 3.841 0 50 EHAA O=C1[C@@H]2CCCC[C@H]2[C@@H](NCCc2ccccc2)N1Cc1ccccc1 334163100 LMZZXKYFXFRXTN-VSKRKVRLSA-N 348.490 3.994 0 50 EHAA Cc1cc(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)nn1C(C)(C)C 182840547 FWFVYGBGYDPSMU-OAHLLOKOSA-N 345.418 3.729 0 50 EHAA CCC(=O)N(C)c1ccccc1C(=O)N1CCCc2ccc(F)cc21 183074603 VLJMUEVTSALAMB-UHFFFAOYSA-N 340.398 3.792 0 50 EHAA C[C@H](NC(=O)N(C)Cc1cnc2ccccc2n1)C1CCCCC1 534671659 LSDYEBABJULJIC-AWEZNQCLSA-N 326.444 3.740 0 50 EHAA Cc1cc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)c(O)nc1C 534588171 HUDTXCRHWUCPCC-UHFFFAOYSA-N 346.377 3.942 0 50 EHAA 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3.800 0 50 EHAA CC(C)(C)n1ccc(C(=O)NC[C@@H]2CCOc3ccccc3C2)c1 95508008 RPGMOESMMUCXCR-OAHLLOKOSA-N 326.440 3.614 0 50 EHAA Fc1ccccc1[C@@H]1C=C(c2ccc(Cl)cc2)Nc2nnnn21 101039613 LUHHXWQAXLDNFE-HNNXBMFYSA-N 327.750 3.522 0 50 EHAA O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@@H]1C[C@H]2CC[C@H]1O2 110676842 NYFKOUFFNMKSBZ-MKXGPGLRSA-N 325.383 3.599 0 50 EHAA O=C(NCCc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1F 126486562 GAUZDJKXRYJLLX-UHFFFAOYSA-N 345.761 3.502 0 50 EHAA CN(C)C(=O)Nc1ccc(C(=O)Oc2cccc(F)c2)c(Cl)c1 159330825 CQBGEXKNXXDAGZ-UHFFFAOYSA-N 336.750 3.792 0 50 EHAA Cc1ccc(SCC(=O)N2C[C@H](C)[S@](=O)c3ccccc32)cc1 170614401 IZOQISFGFZJEFK-PSLXWICFSA-N 345.489 3.630 0 50 EHAA C[C@H](NCc1ccccc1CN1CC[C@H](O)C1)c1cccc(Cl)c1 180641670 GLMGOLARIGOMTN-YWZLYKJASA-N 344.886 3.757 0 50 EHAA Cc1cc(S(=O)(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)c(C)o1 183055776 AJQXQMMNKCWGNY-SNVBAGLBSA-N 329.368 3.556 0 50 EHAA Cc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H](c2ccccc2)C1 185459461 PXTDOZZPYNYXIA-GOSISDBHSA-N 331.419 3.810 0 50 EHAA COc1ccc([C@@H]2CCN(c3nnc(-c4ccccn4)s3)C2)cc1 185571320 WTALCENJLOIXED-CQSZACIVSA-N 338.436 3.603 0 50 EHAA CCC(CC)c1nnc(NC(=O)Nc2cc([C@@H]3C[C@@H]3C)n[nH]2)s1 192206396 PDDSYEMAZOLDCH-WCBMZHEXSA-N 334.449 3.932 0 50 EHAA O=C(C1CC1)N1CCC[C@H](c2nc(-c3cccc(Cl)c3F)no2)C1 225605132 HSEQXQUCJAKCNT-NSHDSACASA-N 349.793 3.645 0 50 EHAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)C2)no1 241465977 NTQULSJETKHAGH-XWTMOSNGSA-N 345.487 3.766 0 50 EHAA C[C@@H]1[C@@H](OC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C[C@H]2C[C@H]1C2(C)C 252517549 LGQDRBDOQFLUIS-GCSSGZNBSA-N 335.488 3.637 0 50 EHAA CC1CCN(c2cccc(NC(=O)N3CCC[C@H]3CCCO)c2)CC1 253424280 CVYDGZHOESTITO-SFHVURJKSA-N 345.487 3.692 0 50 EHAA COc1ccc([C@H](CCO)NC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1 332789432 SRSWLEKBEZSQLO-NMLACTOBSA-N 345.483 3.841 0 50 EHAA Cc1cc(-c2csc(NC(=O)C3=CCOCC3)n2)c(F)cc1F 342530963 RXGKBPAMOFJYRP-UHFFFAOYSA-N 336.363 3.682 0 50 EHAA O=C(NCc1nc2ccccc2n1C1CC1)c1cncc2ccccc12 352610809 XXYZCNRPNMVMNF-UHFFFAOYSA-N 342.402 3.849 0 50 EHAA CCc1nc2c(s1)[C@H](N(C)Cc1nnc(C3CC3)s1)CCC2 450587060 ADSCKJDQJIAMKV-GFCCVEGCSA-N 334.514 3.944 0 50 EHAA O=C(Cc1cccc(C(F)(F)F)n1)Nc1ccc(C2CCC2)cn1 820741505 SYTDMMCLNLYEMR-UHFFFAOYSA-N 335.329 3.944 0 50 EHAA Cc1csc(-c2noc([C@@H]3Cc4ccccc4O[C@H]3C(F)F)n2)n1 904007051 UHNLVLOWMXGMGA-ZYHUDNBSSA-N 349.362 3.854 0 50 EHAA Cc1csc(CNc2cccc(C(=O)NC(C3CC3)C3CC3)c2)n1 952993770 QRBJJGLVEIJSFK-UHFFFAOYSA-N 341.480 3.982 0 50 EHAA COC(=O)[C@@H]1CC[C@H](NC(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)C1 1178175256 PPKKVNJLFQBNMV-DOMZBBRYSA-N 342.439 3.537 0 50 EHAA C[C@H](C(=O)N(Cc1ccc[nH]1)c1ccc(N(C)C)cc1)n1cccc1 1319827591 TXFBUIIFZZXWFW-MRXNPFEDSA-N 336.439 3.677 0 50 EHAA Cc1cc(F)ccc1N1CCC(N2CC(N3CCCC[C@H]3C)C2)CC1 1506405563 GAOKETQLISUULW-QGZVFWFLSA-N 345.506 3.662 0 50 EHAA OC[C@H]1OCCN(Cc2ccccc2-c2ccco2)[C@@H]1c1ccccc1 1529151193 HUQVSENCKRIRRQ-FGZHOGPDSA-N 349.430 3.881 0 50 EHAA C[C@@H](C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1)c1cccc(O)c1 1775987888 WZKOJBZMZUYFGK-NIKGAXFTSA-N 325.408 3.532 0 50 EHAA 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O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccnc1 807619 WJRQYDGYOJNZNX-UHFFFAOYSA-N 335.329 3.953 0 50 EHAA CC[C@H](c1ccccc1)c1nn2c(CN3CCCCC3)nnc2s1 57524497 BYKQLDMLTMXEKM-OAHLLOKOSA-N 341.484 3.714 0 50 EHAA Cc1ccc(F)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 20399311 CWRRWKOEEDTFRK-KRWDZBQOSA-N 344.361 3.517 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)Cc2cccc(Cn3cccn3)c2)c1 55370076 PKYOEKGRGZAGLR-GOSISDBHSA-N 334.467 3.698 0 50 EHAA c1ccc2c(C[C@@H]3CN(C4CCSCC4)CCO3)cccc2c1 23339933 RYCHNRPLIGGQMR-LJQANCHMSA-N 327.493 3.979 0 50 EHAA C/C(=C\c1ccco1)CN1CCC[C@@H]1c1nc(-c2ccccn2)no1 65372472 JOTYGJBDHKIHIF-ABDJAZHISA-N 336.395 3.965 0 50 EHAA CC(C)c1cc(C(=O)NCc2cc(-c3ccccc3F)no2)no1 65406700 WJVIGTZNJAXKNH-UHFFFAOYSA-N 329.331 3.522 0 50 EHAA Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NCc1c[nH]nc1C 119248348 BSERIHBCHCZNEP-OKILXGFUSA-N 340.471 3.757 0 50 EHAA O=C([C@@H]1C[C@H]1c1ccccc1)N1CC[C@@H](COCc2ccccc2)C1 229907303 OPEKOLGMKYWOEF-HLAWJBBLSA-N 335.447 3.855 0 50 EHAA COc1ccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cc1 71745350 MGJSBJZIIATXKT-PKOBYXMFSA-N 325.456 3.823 0 50 EHAA N#Cc1c(SCC(=O)O)nc(-c2cccs2)c2c1CCCC2 6702223 VLKFZEMYIOLGKY-UHFFFAOYSA-N 330.434 3.737 0 50 EHAA Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@H](C4CC4)C3)cc2F)n1 367059409 FMJYBVQKGSFMCH-HNNXBMFYSA-N 342.418 3.892 0 50 EHAA CC(C)Cc1ccc(CN2CCC3(CCNC(=O)CC3)CC2)s1 215202800 NWXXCBXMPMCGMS-UHFFFAOYSA-N 334.529 3.829 0 50 EHAA COc1cccc(SCC(=O)N2CCCC[C@@H]2c2ccccn2)c1 72463047 XZFAFOIQHJQKOZ-GOSISDBHSA-N 342.464 3.936 0 50 EHAA Cc1cc([C@@H]2CCCCN2Cc2cnc(-c3ccccn3)nc2)no1 216436841 ABRQHOISZSALNT-SFHVURJKSA-N 335.411 3.562 0 50 EHAA O=C(Cc1cccnc1)N1CCC[C@H](CCc2c(F)cccc2F)C1 71759054 CLLAEMGZZVZXHX-OAHLLOKOSA-N 344.405 3.774 0 50 EHAA O=C(NC[C@@H]1CCCc2ccccc21)Nc1nnc(C(F)F)s1 127404908 WINSABGZJQHFHS-JTQLQIEISA-N 338.383 3.717 0 50 EHAA Cc1ccc(S[C@@H](C)C(=O)NCCCc2c(C)noc2C)cc1 84804789 ASMFQZQIMIMHOW-HNNXBMFYSA-N 332.469 3.829 0 50 EHAA COc1cc(-c2ccc(N3CCCCCC3)nn2)cc(OC)c1OC 97784844 JERBPKUWUBBSFB-UHFFFAOYSA-N 343.427 3.550 0 50 EHAA Cc1nc(C(C)C)sc1CNC(=O)CC1CCN(C(C)C)CC1 95362785 GIBCRTVMHKRILE-UHFFFAOYSA-N 337.533 3.702 0 50 EHAA CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1c(C)c(C(F)(F)F)nn1C 183946003 FIMDCYYDSGSYNS-NEPJUHHUSA-N 347.381 3.671 0 50 EHAA O=C(NCC[C@@H]1CCCCO1)Nc1ncc(Cc2ccccc2)s1 181412529 FGGVVLJZRBQMIC-HNNXBMFYSA-N 345.468 3.815 0 50 EHAA Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1nc(C2CC2)no1 181860916 ZKRSZXDTGMPADU-UHFFFAOYSA-N 345.353 3.640 0 50 EHAA CC[C@@H](NCc1cc2cc3c(cc2nc1O)OCO3)c1cccs1 952870225 YJAONPFOVGIQJG-CYBMUJFWSA-N 342.420 3.972 0 50 EHAA COCc1cccc(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c1 186248406 UOAUSTPLXGQPHP-GOSISDBHSA-N 345.826 3.700 0 50 EHAA Cc1cccc([C@H]2CC(c3ccsc3)=NN2C(=O)CCC(=O)O)c1 170091750 LDLDMLNEJFWGQM-MRXNPFEDSA-N 342.420 3.599 0 50 EHAA Nc1ncn(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 170594381 BSEALZFETJXXOW-UHFFFAOYSA-N 335.194 3.735 0 50 EHAA O=C(OC1(C2CC2)CC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170650794 OTQVDZMGWMXWLM-UHFFFAOYSA-N 338.285 3.855 0 50 EHAA COc1cc(OC)cc(C2=NN(C(C)=O)[C@@H](c3ccc(F)cc3)C2)c1 170615246 DFOBNFGPHBJJCW-LJQANCHMSA-N 342.370 3.541 0 50 EHAA Cc1cc(C)c2c(c1)CN(C(=O)C[C@H](C)c1c(C)n[nH]c1C)CC2 188655854 LPUVWKWBWOACEU-AWEZNQCLSA-N 325.456 3.722 0 50 EHAA COCc1cc(CN[C@@H]2CCc3c(cccc3OC)C2)ccc1F 192442993 LCIWVQHTTBYDOC-QGZVFWFLSA-N 329.415 3.628 0 50 EHAA CCc1nc(CCNC2CCN(c3ccc(F)cc3C)CC2)cs1 1506415569 PHLFURBQHSKXPL-UHFFFAOYSA-N 347.503 3.954 0 50 EHAA COc1ccccc1NC(=S)NC(=O)c1oc2ccccc2c1C 452965 PDCIUIFXWKNJCL-UHFFFAOYSA-N 340.404 3.877 0 50 EHAA COc1nc(C)ccc1-c1noc(-c2ccccc2Br)n1 498620 CMXPPXXKPROINX-UHFFFAOYSA-N 346.184 3.878 0 50 EHAA O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@H](C2(O)CC2)C1 1772814653 LVYGYDUASHJLFO-LLVKDONJSA-N 347.764 3.736 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 5383800 UWWCJMRSYZRTMP-KBPBESRZSA-N 333.428 3.822 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)n[nH]1 11664335 WDGHHLCKVNRNBG-QGZVFWFLSA-N 326.444 3.558 0 50 EHAA CC(C)N1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 12382487 FXGQYTZEVMGXCK-UHFFFAOYSA-N 336.479 3.808 0 50 EHAA O=C(COc1ccc(Cl)cc1)NCCSC1CCCCC1 2813827 XCHUORFEVZRNMJ-UHFFFAOYSA-N 327.877 3.901 0 50 EHAA COc1ccccc1NC(=O)CCc1nc(-c2cccc(C)c2)no1 2879263 PRCGTOWAAZHONW-UHFFFAOYSA-N 337.379 3.625 0 50 EHAA COc1cc(CO)c(Br)cc1OCCc1ccccc1 4839395 YMLCCWGETCXDCM-UHFFFAOYSA-N 337.213 3.572 0 50 EHAA COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1Cl 2697181 CFQULMLWKDQOKB-UHFFFAOYSA-N 329.739 3.707 0 50 EHAA Cc1ccc2c(CCNC(=O)N3CCC[C@H]3c3ccc[nH]3)c[nH]c2c1 265121360 GJTQEFWCSDEDRR-IBGZPJMESA-N 336.439 3.894 0 50 EHAA O=C(O)CC[C@@H]1Cc2ccccc2N(C(=O)CCc2cccs2)C1 902827020 ITYVCDNPGSOBJQ-CQSZACIVSA-N 343.448 3.751 0 50 EHAA NCc1ccccc1NC(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 904645877 DVXVLDLQXJZYLD-MRXNPFEDSA-N 345.830 3.834 0 50 EHAA COc1cc(Br)cc(CNC(=O)c2c[nH]cc2C2CC2)c1 830419508 YMFGICDRHMCBND-UHFFFAOYSA-N 349.228 3.593 0 50 EHAA O=C(c1cc(Cl)nc(Cl)c1)N1CCCC[C@@H]1c1cncnc1 1875379978 BGVNAXVIGRFCHR-GFCCVEGCSA-N 337.210 3.546 0 50 EHAA C[C@H]([C@@H]1Cc2ccccc21)N(C)S(=O)(=O)[C@@H]1C[C@@H]1c1ccccc1 1875362901 YECHLJHGXQIMOR-ZVEHZALQSA-N 341.476 3.533 0 50 EHAA Cc1cccc2[nH]c(=Nc3cnn(-c4ncccc4Cl)c3)oc12 2325839831 GOAZXXKAFAJTJX-UHFFFAOYSA-N 325.759 3.536 0 50 EHAA C[C@H](NC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1)c1cnn(C)c1 230186918 YZJRMCJOUNSOAF-CVAIRZPRSA-N 338.455 3.592 0 50 EHAA CCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12 2770070 CCGPSFQLAGPQQU-UHFFFAOYSA-N 344.365 3.782 0 50 EHAA C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 103080659 IZADOQCJNQXIRT-UEKVPHQBSA-N 338.810 3.762 0 50 EHAA CSc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1F 225416444 GGHUJHXEVASCBA-UHFFFAOYSA-N 342.399 3.689 0 50 EHAA COc1ccc(C(=O)N2CCCN(C[C@H](C)CC(C)C)CC2)cc1 225627240 CJOOAAHVTPUKAP-QGZVFWFLSA-N 332.488 3.525 0 50 EHAA C[C@@H]1CCCCN1c1ccc(Cl)cc1NC(=O)c1ccnnc1 55284362 NYGLQZKXLLQHAE-GFCCVEGCSA-N 330.819 3.761 0 50 EHAA Cc1cc(C(=O)N(C)Cc2ccccn2)ccc1NC(=O)c1ccco1 55342032 MAIKMDOPRVCCJA-UHFFFAOYSA-N 349.390 3.508 0 50 EHAA Cc1ccncc1NC(=O)c1csc(Cc2ccccc2F)n1 117652009 IBPIVRORKBFAIO-UHFFFAOYSA-N 327.384 3.829 0 50 EHAA Cc1ccc([C@H]2CC(=O)NCc3nc(N4CCCC4)sc32)cc1C 65435919 OJSAMZMEJJIZEI-OAHLLOKOSA-N 341.480 3.512 0 50 EHAA CCOc1ccc(-c2c[nH]c(-c3cccn3-c3ncccn3)n2)cc1 65494603 VWZYCVNQRAWXSI-UHFFFAOYSA-N 331.379 3.723 0 50 EHAA c1cnc2c(Cc3noc(C4CCN(C5CC5)CC4)n3)cccc2c1 252485989 HGQGGUFOTPONBX-UHFFFAOYSA-N 334.423 3.550 0 50 EHAA Cc1ccccc1[C@H](C)NS(=O)(=O)c1cccc2scnc12 253419077 IBMUXYTYAYCYQO-LBPRGKRZSA-N 332.450 3.644 0 50 EHAA Cc1csc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1Cl 253431435 RUPYHSDPENMSPN-UHFFFAOYSA-N 335.816 3.940 0 50 EHAA CCN(CC)CCSCC(=O)Nc1cccc(-c2ncco2)c1C 359138598 QFKQHUIIRRCZKM-UHFFFAOYSA-N 347.484 3.664 0 50 EHAA Cc1nc2c(C(=O)N3C[C@H](C)O[C@@H](c4ccsc4)C3)cccc2o1 328588578 IZDBSGJVLSPGPS-MEDUHNTESA-N 342.420 3.800 0 50 EHAA C[C@@H](Cc1ccncc1)Nc1cc(-c2ccc(F)cc2)nc2ccnn12 72477751 UMSACLZZAFQACQ-AWEZNQCLSA-N 347.397 3.974 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N2C[C@H]3C4CCC(CC4)[C@H]3C2)c1 72454282 STPASUKXHHEZCY-HCABLIJQSA-N 341.495 3.898 0 50 EHAA COc1cccc(F)c1OCc1nc(Cc2ccccc2F)no1 72120836 CKMNRGQLHOVPGG-UHFFFAOYSA-N 332.306 3.526 0 50 EHAA CCc1cc(NC(=O)N2CCO[C@@H](c3nc(C)cs3)C2)ccc1C 374549919 GXONLXZWUDXPMS-MRXNPFEDSA-N 345.468 3.928 0 50 EHAA CC(C)[C@H]1CN(Cc2ccco2)CCC(=O)N1Cc1ccc(F)cc1 71763342 TZNCANSBKKTGFX-LJQANCHMSA-N 344.430 3.678 0 50 EHAA O=C(Nc1ccc2c(c1)CCCN2)N1CCC(c2ccncc2)CC1 333374318 VMRHSHWMAGXJBT-UHFFFAOYSA-N 336.439 3.851 0 50 EHAA Cc1cc(NC(=O)c2cccc(C(=O)N(C)C)c2)c2cccnc2c1C 173121398 URTDZHGPHZIXQD-UHFFFAOYSA-N 347.418 3.806 0 50 EHAA CSCc1cccc(CNC(=O)N2CC[C@@H](C3CCOCC3)C2)c1 241301071 LQDKWQOOVUNAIS-GOSISDBHSA-N 348.512 3.508 0 50 EHAA O=C(O)c1ccc(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 263531824 MUJCHJIGEYPPPS-SWLSCSKDSA-N 345.345 3.729 0 50 EHAA CC(C)c1noc([C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n1 91713165 RIEDAACLZKVRMI-CQSZACIVSA-N 347.846 3.795 0 50 EHAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)NCc3cccs3)C2)cc1 95376203 NGSCENYEJRXABB-OAHLLOKOSA-N 344.436 3.536 0 50 EHAA CN1C[C@H](c2ccccc2)CC2(CCN(Cc3ccccn3)CC2)C1 91894355 AYILHWODKSIFLH-HXUWFJFHSA-N 335.495 3.783 0 50 EHAA CC(C)Cc1ccc(CN2CCCC[C@H]2CN2CCOCC2)s1 821459799 GIHDOMYDANUVNH-KRWDZBQOSA-N 336.545 3.633 0 50 EHAA Cc1cc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc(C)n1 952970853 WFDFTBBXJBJOAV-GOSISDBHSA-N 326.396 3.509 0 50 EHAA C[Si](C)(c1ccc(Cc2ccccc2)cc1)c1ccccc1CO 169975458 FTFDZQMNIOEKNP-UHFFFAOYSA-N 332.519 3.592 0 50 EHAA in-vitro C[C@@H]1C[C@H](c2cccnc2)N(C(=O)CCc2cccc(N(C)C)c2)C1 194560659 NVCNHQIWFUVYFH-OXQOHEQNSA-N 337.467 3.690 0 50 EHAA CCCCSCc1cc(C(=O)Nc2cnn3c2NCCC3)oc1C 1506397492 VLILSWQUDGZGHV-UHFFFAOYSA-N 348.472 3.886 0 50 EHAA CC(C)[C@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@@H](c2ccccc2)O1 1529114143 LVKIKTCUMYYCRE-MSOLQXFVSA-N 346.858 3.917 0 50 EHAA Cn1ccnc1NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 1529142277 JWVROKXKRFDAGH-UHFFFAOYSA-N 337.223 3.710 0 50 EHAA COc1ccc([C@H](CC(=O)N2CCCCO2)c2ccccc2)cc1 11844078 JGOGGBHERHIXDC-LJQANCHMSA-N 325.408 3.771 0 50 EHAA O=C(Nc1ccc(Cl)cn1)C1=C(c2ccccc2)SCCO1 12322724 YLUKKOGOCSINGK-UHFFFAOYSA-N 332.812 3.806 0 50 EHAA CN(Cc1ccon1)C(=O)CC1c2ccccc2CCc2ccccc21 12458252 KYQOELHRVDCDJU-UHFFFAOYSA-N 346.430 3.954 0 50 EHAA CCOc1ccccc1NC(=O)N[C@H](C)c1ccc2c(c1)OCO2 15952159 BJBJVHDLMRUQMK-GFCCVEGCSA-N 328.368 3.697 0 50 EHAA O=C(NCCC1=CCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1 2814139 JLDIBFXKHYOOTI-UHFFFAOYSA-N 340.345 3.651 0 50 EHAA CCOc1ccc(NC(=O)C(=S)N[C@@H](C)c2ccccc2)cc1 4832438 PUCURPILSURQEB-ZDUSSCGKSA-N 328.437 3.702 0 50 EHAA NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 132322 IMIJCMYUEGJZQI-UHFFFAOYSA-N 335.841 3.589 0 50 EHAA Cn1cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C2CCC2)n1 413766426 LDNYKZJZPBQRLB-GOEBONIOSA-N 329.831 3.627 0 50 EHAA CCn1cc([C@H]2OCCC[C@@H]2Nc2ncnc3sc(C)cc23)cn1 328617889 DDTFNJHJAXWPLD-LSDHHAIUSA-N 343.456 3.548 0 50 EHAA O[C@@H](Cc1nc(-c2ncsc2Cl)no1)c1ccc(Cl)cc1 812815948 GBUKWRLIULWHLX-VIFPVBQESA-N 342.207 3.776 0 50 EHAA FC(F)(F)c1cc(-c2noc(C3(n4cccn4)CC3)n2)cs1 904160117 CYCPIWGTRVOISH-UHFFFAOYSA-N 326.303 3.551 0 50 EHAA Cc1nn(C)cc1[C@H]1CCCN1C(=O)c1ccc(F)c2occc12 934651903 WNPZPYWJOOVYNL-MRXNPFEDSA-N 327.359 3.591 0 50 EHAA O=C(Nc1nnc([C@H]2CCOC2)s1)c1cc(Cl)ccc1Cl 1875320400 BXKFKVRMIWDAEW-ZETCQYMHSA-N 344.223 3.601 0 50 EHAA NC(=O)c1cccc2c1CCCN2Cc1cc(C(F)(F)F)cs1 1875341255 MNXRXKSPDRMSSR-UHFFFAOYSA-N 340.370 3.819 0 50 EHAA C=CC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CC[C@@H](O)C1 1875382478 CMJNQDVBEAZNRL-SMDDNHRTSA-N 328.239 3.669 0 50 EHAA CCc1nc(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)c(C)o1 887790295 JSNATVUBNPQKBP-FQEVSTJZSA-N 338.407 3.626 0 50 EHAA Cc1csc(SCC2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)CC2)n1 1775999810 WQMFYVKEKPLPGC-RYUDHWBXSA-N 346.468 3.683 0 50 EHAA CCOc1cccc([C@H](C)NC[C@H](CO)Cc2ccccc2C)c1 2325742207 MVAJUNIGSKOOIH-ZWKOTPCHSA-N 327.468 3.896 0 50 EHAA C[C@H]1Cc2ccc(OCc3ccccc3)cc2CN1Cc1cnc[nH]1 2325859931 QFERADDLDCMCPM-INIZCTEOSA-N 333.435 3.936 0 50 EHAA COc1cc(SC)ccc1C(=O)Nc1nnc(C(F)(F)F)s1 74111 NRDDNSBOXGEDOL-UHFFFAOYSA-N 349.359 3.540 0 50 EHAA O=C(Cc1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1 233392 SNGYMWCTGYDYOC-UHFFFAOYSA-N 336.435 3.884 0 50 EHAA O=C(CCc1ccccc1)Nc1nnc(CCc2ccccc2)s1 314254 AYAFEHPMWQNLCA-UHFFFAOYSA-N 337.448 3.895 0 50 EHAA Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)n1 620876 PRZVGODFJUWBNU-LLVKDONJSA-N 335.201 3.559 0 50 EHAA O=C(CSc1ccc2ccccc2n1)N1CCc2ccccc2C1 2636431 HQBFZQJTCCZUNW-UHFFFAOYSA-N 334.444 3.912 0 50 EHAA Cc1ccc(Cn2/c(=N/C(=O)c3ccco3)[nH]c3ccccc32)cc1 4786123 LHERJLPNWIFDNT-UHFFFAOYSA-N 331.375 3.660 0 50 EHAA CC[C@@H](C)Sc1nnc(NC(=O)[C@H](C)Oc2ccccc2)s1 6702737 SHAWCFCQPLEIHR-MNOVXSKESA-N 337.470 3.835 0 50 EHAA C[C@H](Cc1cccc(C(F)(F)F)c1)N[C@@H](CO)Cc1ccccc1 225604741 LTITXHWIJMVMFX-RDTXWAMCSA-N 337.385 3.830 0 50 EHAA CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@@H](NC1CCCC1)C3 20999305 XGCAIEWUBQOTTB-CQSZACIVSA-N 345.512 3.504 0 50 EHAA COc1ccc(Cl)cc1C(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67833777 DTFZQNGECTXNPF-UHFFFAOYSA-N 345.830 3.592 0 50 EHAA CCOCCOc1ccc2c(c1)NC(=O)C[C@H]2/C=C/c1ccco1 65373084 QQMQRDBMRLZRDR-VBROQKIQSA-N 327.380 3.834 0 50 EHAA Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)C(F)(F)F 2763041 SMZUVQIYSPTTNL-UHFFFAOYSA-N 349.715 3.842 0 50 EHAA COc1cccc(CNC[C@H]2CCO[C@@H]2c2ccccc2)c1OC 328625706 KXZYQEXWXFINOD-IEBWSBKVSA-N 327.424 3.571 0 50 EHAA O=C([C@H](N[C@@H]1C[C@H]1c1ccccc1)c1ccccc1)N1CCCCC1 252517505 KHKSBJLGLRDZNI-PWRODBHTSA-N 334.463 3.886 0 50 EHAA CN(Cc1cccc2cnccc12)C(=O)[C@H](O)c1cccc(Cl)c1 77439719 SXZGFYYUZJNMFY-GOSISDBHSA-N 340.810 3.580 0 50 EHAA CN(C(=O)c1ccco1)c1ccccc1-c1nc(-c2ccccn2)no1 253428352 CVYPLDTXFQFTBD-UHFFFAOYSA-N 346.346 3.668 0 50 EHAA COc1ccc(-n2cccn2)c(CN2CCC[C@H]2c2ccccn2)c1 215029220 VMRBTNMEAIZQQU-FQEVSTJZSA-N 334.423 3.613 0 50 EHAA CCCc1cc([C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)no1 33270274 MVXLGTQEITUBDB-QGZVFWFLSA-N 348.468 3.770 0 50 EHAA COc1ccc(-c2ccc(CN(C)CCCc3nccn3C)o2)cc1 215631249 OBHWPOYDVVFCSD-UHFFFAOYSA-N 339.439 3.753 0 50 EHAA CCO[C@@H]1C[C@H](N(C)Cc2ccc(C(=O)O)cc2)C12CCCCC2 263578087 SGMDMMYTNAPZNE-ZWKOTPCHSA-N 331.456 3.945 0 50 EHAA Cc1nn(C)c2nc(NCc3cc(F)c(F)c(F)c3F)sc12 96151690 KELYJXPAHUNHJC-UHFFFAOYSA-N 330.310 3.507 0 50 EHAA C[C@H](NC(=O)N(C)CC1CCOCC1)c1ccccc1C(F)(F)F 426598820 FCBZIXDTEYARCJ-LBPRGKRZSA-N 344.377 3.834 0 50 EHAA O=C(N[C@H](c1ccccn1)C(F)(F)F)c1c[nH]nc1-c1ccccc1 97730010 YIDQDXUASOWGBU-OAHLLOKOSA-N 346.312 3.505 0 50 EHAA CCCc1cc(C(=O)N2CCCC[C@@H]2c2ccc(OC)cc2)[nH]n1 91847301 ILEDFMOADZJXMP-GOSISDBHSA-N 327.428 3.738 0 50 EHAA Cn1ncc2c(N[C@@H](c3cccc(C(F)(F)F)c3)C3CC3)ncnc21 179648332 NSFAOFJGPUDEOV-CQSZACIVSA-N 347.344 3.945 0 50 EHAA Cc1nc2ccc(NC(=O)N(C)[C@H](C)Cc3ccccn3)cc2nc1C 95529010 RJWJVACUAAMNBV-CYBMUJFWSA-N 349.438 3.737 0 50 EHAA O=C1CCCc2occ(C(=O)N3CCC(c4ccsc4)CC3)c21 295656324 DNLKPAXHYIQVBB-UHFFFAOYSA-N 329.421 3.880 0 50 EHAA ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C=CC=C[C@H]3[C@@]1(Cl)C21OCCO1 254313953 VYMWZHZIYFBOHN-FUAUIPCOSA-N 340.033 3.760 0 50 EHAA COc1ccccc1C1CCN(C(=O)N[C@@H](C)C(F)(F)F)CC1 534650537 DFKRORUGFNJLAR-NSHDSACASA-N 330.350 3.535 0 50 EHAA CSCC[C@H](C(=O)Nc1ccc2nc(C)[nH]c2c1)n1cccc1 263587638 JLMIOLUVFRCHHR-MRXNPFEDSA-N 328.441 3.606 0 50 EHAA CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)C1 40566550 XXPJRAVPVRZQPZ-UHFFFAOYSA-N 330.472 3.910 0 50 EHAA Cc1cc(=O)cc(C(=O)NC23CC4(C)CC(C)(CC(C)(C4)C2)C3)o1 299783987 HIAFKKWKPTYJOP-UHFFFAOYSA-N 329.440 3.817 0 50 EHAA CCc1c(-c2cccc(C(=O)N(C)Cc3ccncc3C)c2)cnn1C 299767564 LVWIJVUGWOIHIU-UHFFFAOYSA-N 348.450 3.625 0 50 EHAA CCc1nnc(CN(C(=O)Nc2cccc3c2CCC3)C(C)C)o1 299756528 DIJWZVDBDNAKOG-UHFFFAOYSA-N 328.416 3.563 0 50 EHAA CC(C)Cc1cc(CNC(=O)C2(Nc3ccccc3)CCCC2)on1 584885744 MMVDPMAVEZCCOB-UHFFFAOYSA-N 341.455 3.914 0 50 EHAA c1ccc(Oc2ccc(OCc3nnc4n3CCCCC4)cc2)nc1 278557445 CDWLPEITNCIJMB-UHFFFAOYSA-N 336.395 3.771 0 50 EHAA Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N(C)CC1CC(O)C1 190091287 OBHQMONNMDGACA-HJOIGYKYSA-N 345.487 3.608 0 50 EHAA COc1cccc2c1CC[C@@H](NCc1nc3cc(C)ccc3n1C)C2 190527909 PILOGJLHQUCVLE-MRXNPFEDSA-N 335.451 3.537 0 50 EHAA c1csc(CN2CCC[C@H](Nc3ncnc4sccc34)C2)c1 1506401902 OIVMXIPVRFEEKI-LBPRGKRZSA-N 330.482 3.829 0 50 EHAA Cc1ccc(OC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 4023827 ZPKAOSHEMYPHGB-UHFFFAOYSA-N 334.297 3.969 0 50 EHAA CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 1848443599 HSNVQLQKVPNOCK-LFVNJNSLSA-N 348.483 3.501 0 50 EHAA CSc1cccc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c1 11842353 STDRYRMNKCOICE-HXUWFJFHSA-N 344.524 3.633 0 50 EHAA O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccccc1)N1CCCCC1 19849891 KIBFEGUFVBIKGE-IRLDBZIGSA-N 348.446 3.939 0 50 EHAA CCCCc1nc(CN(C)CCn2cnc3ccccc32)c(Cl)[nH]1 1857674753 WXMRNENZMAOMPG-UHFFFAOYSA-N 345.878 3.887 0 50 EHAA Cc1nc(C[C@H]2CCCN(c3ncc(Cl)cc3Cl)C2)no1 225819415 YYRQVDVJKPDPMV-SNVBAGLBSA-N 327.215 3.539 0 50 EHAA CC(=O)[C@]1(O)[C@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936137 RGHGKGRVFXQGOV-JSVCYAOMSA-N 348.527 3.956 0 50 EHAA CCc1csc(CC2CCN(Cc3ccccc3C(=O)O)CC2)n1 656190822 GIMPDQYHWKVAPE-UHFFFAOYSA-N 344.480 3.858 0 50 EHAA CCOC[C@H]1CCCCN1C(=O)Nc1cnn(CCC(C)C)c1C 459464012 LNKJHGGFRIAOCB-MRXNPFEDSA-N 336.480 3.661 0 50 EHAA O=C(O)c1csc([C@H]2CCCN(Cc3cc4ccccc4o3)C2)n1 1875282390 BPICXMFYHSWDRL-ZDUSSCGKSA-N 342.420 3.967 0 50 EHAA C[S@](=N)(=O)c1cccc(C(=O)NCc2cc3c(s2)CCCC3)c1 1875279141 QXSSNUYCFRMKBX-QHCPKHFHSA-N 348.493 3.592 0 50 EHAA C[C@H](c1ccccc1)N1CC(=O)N(c2cncc3ccccc23)C1=O 1875359599 KMGZIHUGJWBWBU-CQSZACIVSA-N 331.375 3.765 0 50 EHAA COc1ccc(NC(=O)N2CC[C@]3(CCc4ccccc43)C2)c(F)c1 880315093 WNXDQLOWRDYEJV-HXUWFJFHSA-N 340.398 3.956 0 50 EHAA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc([C@H](C)N)cc1 2325864745 YUVVNZINZCFPRR-AWEZNQCLSA-N 349.434 3.642 0 50 EHAA O=C(N[C@H]1CC[C@H](CO)CC1)c1cncc(-c2ccc(Cl)cc2)c1 133293777 RHVBIUMXPBWXSL-QGGXVJLZSA-N 344.842 3.683 0 50 EHAA Cc1cccc(C(=O)Nc2ccc(C(=O)n3nc(C)cc3C)cc2)c1 38381 UYJGOMMSZPKDIO-UHFFFAOYSA-N 333.391 3.749 0 50 EHAA Cc1cc(OCC(=O)Nc2ccccc2C(=O)O)ccc1C(C)C 142344 BKFROLRADGPPHE-UHFFFAOYSA-N 327.380 3.834 0 50 EHAA O=c1oc2ccccc2c(N2CCCCC2)c1CN1CCCCC1 272757 WFMJWUJZNIYRFC-UHFFFAOYSA-N 326.440 3.769 0 50 EHAA biogenic Cc1sc(NC(=O)COc2ccccc2C(C)C)c(C(N)=O)c1C 359103 KMGVBLOOYGYXNL-UHFFFAOYSA-N 346.452 3.605 0 50 EHAA O=C(NCc1ccccc1)C(NC(=O)c1ccccc1)=C1CCCCC1 445594 GBPPTBQQXLZGRO-UHFFFAOYSA-N 348.446 3.951 0 50 EHAA CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccccc1 7720733 MEXXHMTWORCJSE-UHFFFAOYSA-N 341.798 3.591 0 50 EHAA CCCN(Cc1ccc(OC)cc1)C(=O)c1ccc2nccnc2c1 55326021 BXXWPYHTXUUDRH-UHFFFAOYSA-N 335.407 3.691 0 50 EHAA CC(C)c1ccc(N2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)nn1 67786639 UZWUIVXGLPBRTR-HXUWFJFHSA-N 343.446 3.561 0 50 EHAA COCCC(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 65382332 SQDUNBVDTZUQIG-HNNXBMFYSA-N 343.389 3.913 0 50 EHAA CCCSc1ncc(-c2nccn2CCc2scnc2C)cn1 71771142 CSSGSRICUFENBV-UHFFFAOYSA-N 345.497 3.850 0 50 EHAA Cc1c(CN(C)CCC(=O)N2CCC[C@H](C)C2)[nH]c2ccccc12 67605432 COEUAWMBKSGHLS-HNNXBMFYSA-N 327.472 3.557 0 50 EHAA c1cc(N2CCCC2)cc(-c2nc(-c3ccc4c(n3)CCCC4)no2)n1 329558026 FGHADKSCWDKDSI-UHFFFAOYSA-N 347.422 3.673 0 50 EHAA Cc1ccccc1[C@H](CC(=O)N(C)Cc1cnccn1)c1ccccc1 39490478 MURLBWYGPGJUBG-OAQYLSRUSA-N 345.446 3.966 0 50 EHAA CCC1(CNC(=O)c2cccc(CN3CCCC3=O)c2)CCCC1 154652160 SYHLDTUKKRYYBO-UHFFFAOYSA-N 328.456 3.509 0 50 EHAA Cc1ccc2c(C(=O)N(C)C)cc(-c3cnn(C(C)C)c3)nc2c1C 63845240 QHEAZBDAJULTOV-UHFFFAOYSA-N 336.439 3.998 0 50 EHAA CCN1CCC[C@H](c2nccn2-c2ccc3nc(C)sc3c2)C1 65466393 VGWGFAMQUPVLPV-AWEZNQCLSA-N 326.469 3.990 0 50 EHAA Cc1c(C(=O)Nc2ccc3c(c2)CCCN3C)cnn1-c1ccccc1 121211920 CKOPWSUNJSDCMZ-UHFFFAOYSA-N 346.434 3.815 0 50 EHAA CCOc1ccccc1NC(=S)Nc1ccccc1C(=O)OC 5927964 CPKIPKJBUDFEHI-UHFFFAOYSA-N 330.409 3.681 0 50 EHAA C[C@H](CC(=O)NCc1nnc(C2CC2)n1C1CC1)C1CCCCC1 122512496 BSXXXOJMIOOXMX-CYBMUJFWSA-N 330.476 3.713 0 50 EHAA Cc1cc(=O)c(-c2noc(-c3ccc(C(C)C)cc3)n2)c2n1CCC2 485332791 UIBIBYAKAMNGNG-UHFFFAOYSA-N 335.407 3.943 0 50 EHAA CN(Cc1ccc(CN2CCCCC2)s1)CC1(CO)CCCC1 214951896 UGJQBQTWFWVGQR-UHFFFAOYSA-N 336.545 3.719 0 50 EHAA O=C(NCc1cc2ccccc2o1)N1CCN(c2cccs2)CC1 126041844 UFRPHHYAOPPIFK-UHFFFAOYSA-N 341.436 3.526 0 50 EHAA O=C(c1cccc(CC2CCNCC2)c1)N1CCC[C@H]1c1ccccn1 72162248 MGECFUYEDQIOBD-NRFANRHFSA-N 349.478 3.601 0 50 EHAA Cc1ccc(CN(C)CCN2CCCCC2=O)c(Cl)c1Cl 215193204 XFPGFOHINVBUJM-UHFFFAOYSA-N 329.271 3.746 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NCc1ccc(Cl)cc1 229890592 USUOWUCBPCDFAH-TXCZRRACSA-N 347.842 3.649 0 50 EHAA CC(C)[C@H]1C[C@@H](CC(=O)Nc2c[nH]nc2-c2ccccc2F)CCO1 283935564 YYTFUZHTGGCTLL-SUMWQHHRSA-N 345.418 3.996 0 50 EHAA CC(C)(C)c1ncc(C(=O)NC2CCN(c3ccccc3)CC2)s1 130277383 USRJKHWLKLOBGR-UHFFFAOYSA-N 343.496 3.839 0 50 EHAA O=C(O)c1ccc(C(=O)NC2(Cc3cccc(F)c3)CCC2)c(F)c1 263579418 URGILPREDGEMGU-UHFFFAOYSA-N 345.345 3.558 0 50 EHAA CNC(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@@H](C)C2)cc1Cl 161570505 CCJHNNJFXRNTIV-VXGBXAGGSA-N 337.851 3.600 0 50 EHAA O=C(NCc1ccc(Cl)s1)[C@@H]1CCCN(Cc2ccco2)C1 95392352 MDSDRIYQXYQZGW-GFCCVEGCSA-N 338.860 3.523 0 50 EHAA CCC[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@@H]1N 91942997 MJQRDERDGJCFAE-ZANVPECISA-N 334.769 3.558 0 50 EHAA O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1ccc(Cl)o1 97402550 DQBGNXJIPGWNHI-AWEZNQCLSA-N 336.794 3.639 0 50 EHAA CCOc1ccc([C@@H](C)NC(=O)c2cc(C(C)C)nn2C)cc1F 91997463 KVRPBIUWASFNAU-GFCCVEGCSA-N 333.407 3.572 0 50 EHAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1nnc(-c2ccco2)s1 267612183 RRDBINCLWYWBQZ-GRYCIOLGSA-N 332.429 3.983 0 50 EHAA COC[C@@H](C)N(Cc1ccc(F)cc1)Cc1ncc(C)c(O)c1C 253536400 PFYDIAFXKZHYEF-CQSZACIVSA-N 332.419 3.580 0 50 EHAA CC(C)c1nc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)cs1 607315469 LHRNOGIZFOSBNO-HNNXBMFYSA-N 340.452 3.634 0 50 EHAA O=C(NCC1(Cn2cccn2)CC1)[C@H](c1ccccc1)C1CCCC1 534577695 NLVVESISMYYLLW-LJQANCHMSA-N 337.467 3.754 0 50 EHAA CN(C)Cc1ccc(-c2nc(C3CC3)nn2CCc2ccccc2)o1 823709208 HTTPROHXTODDLQ-UHFFFAOYSA-N 336.439 3.720 0 50 EHAA CCCc1ncncc1C(=O)N[C@H](CC(C)(C)C)c1cccnc1 670455296 BAFITSGHAIPRFN-QGZVFWFLSA-N 326.444 3.731 0 50 EHAA Cc1ocnc1CNC(=O)Nc1ccc(Br)c(Cl)c1 170591715 OSSHXAINOZBKHH-UHFFFAOYSA-N 344.596 3.721 0 50 EHAA C[C@@H]1C[C@H](O)CCN1Cc1cn(-c2ccccc2)nc1-c1ccccc1 170610754 JHRHFWSLCYRKPS-DYESRHJHSA-N 347.462 3.885 0 50 EHAA O=C1Nc2ccc(F)cc2/C1=C\c1cnn(Cc2ccc(F)cc2)c1 187213728 CDYXZSIQQAIKSJ-REZTVBANSA-N 337.329 3.702 0 50 EHAA Cc1ccc(N2CCC(C(=O)Nc3cnc4ccccc4c3)CC2)nc1 194104831 AVZFGSKSFXDPCI-UHFFFAOYSA-N 346.434 3.793 0 50 EHAA O=C(O)[C@H](c1ccsc1)N1CCC[C@H](c2nc3ccccc3o2)C1 652386875 POBBMJWAUTZISG-LRDDRELGSA-N 342.420 3.895 0 50 EHAA CCn1c(COc2ccc(Cl)c3cccnc23)nnc1SC 619902 SMRCPTYIOISEKJ-UHFFFAOYSA-N 334.832 3.801 0 50 EHAA CCOC(=O)C(C(=O)OCC)[C@H](Nc1ccccc1)c1ccccc1 2072924 VCLKMTAYMZUWSX-GOSISDBHSA-N 341.407 3.582 0 50 EHAA O=C(Nc1ccnn1C1CCN(CCCC2CCCC2)CC1)C1CC1 11873103 OEVMIIDVUVXOPR-UHFFFAOYSA-N 344.503 3.839 0 50 EHAA Cc1ccccc1C[C@]1(CO)CCCN(C(=O)c2ccc(F)cc2)C1 12438586 CVKKPQAIYUORPA-OAQYLSRUSA-N 341.426 3.592 0 50 EHAA COc1ccccc1CCN1CCC[C@@H](CN(C)CC=C(C)C)C1 12467881 JZJTXJIGQBEGOY-IBGZPJMESA-N 330.516 3.848 0 50 EHAA Cc1ccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)cc1 16578764 NTCAVSHFBQINKN-UHFFFAOYSA-N 327.771 3.880 0 50 EHAA c1ccc(C2CCC(N3CCN(Cc4ccncc4)CC3)CC2)cc1 19364381 PUQXWUWIQUIUSP-UHFFFAOYSA-N 335.495 3.926 0 50 EHAA COc1ccc(C)cc1NC(=O)CC[C@H]1COc2ccccc2O1 4851458 LNFZZLWUIWTHAQ-AWEZNQCLSA-N 327.380 3.562 0 50 EHAA CCOC(=O)/C(=C\c1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1 4872610 NFBMILDOEZWZJC-AQTBWJFISA-N 339.391 3.589 0 50 EHAA Cc1sc(NC(=O)c2ccc(OCC(C)C)cc2)c(C(N)=O)c1C 6729948 PFEUMJNOQKKESV-UHFFFAOYSA-N 346.452 3.751 0 50 EHAA Cn1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 4385013 GMIQJTVOQDDIIM-GFCCVEGCSA-N 325.799 3.747 0 50 EHAA COCC[C@@H]1CCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)C1 1857527143 NSEQODMIQFKYDZ-AWEZNQCLSA-N 326.440 3.545 0 50 EHAA O=C(O)c1cccc(CN2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)c1 1875247084 JZGIZIPUVQSIIU-VQTJNVASSA-N 337.419 3.737 0 50 EHAA Cc1nccn1CCCN1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1875249983 OWONROJMCUPTJP-UXHICEINSA-N 327.472 3.680 0 50 EHAA Fc1ccc([C@H](Sc2ccc3nnnn3n2)c2ccccc2)cc1 225779757 CIMSKWKQTRITOE-QGZVFWFLSA-N 337.383 3.540 0 50 EHAA Oc1cccc(CNCCc2cccc3c2OC(F)(F)O3)c1Cl 1203173705 APWGHHZUTKQSEQ-UHFFFAOYSA-N 341.741 3.699 0 50 EHAA Cc1csc(N(CC(F)(F)F)C(=O)c2ccnn2C2CCC2)n1 902787425 USICHDQOOHHECR-UHFFFAOYSA-N 344.362 3.582 0 50 EHAA C[C@H](C=C1CCCCC1)Nc1cnn(Cc2nnc3n2CCCC3)c1 1875285047 BBTCYDAQKDUANW-OAHLLOKOSA-N 340.475 3.550 0 50 EHAA N[C@@H](C(=O)NCC[C@H]1CCC(F)(F)C1)c1ccc2ccccc2c1 1875304866 YBZBTZZRLRCMCD-CXAGYDPISA-N 332.394 3.781 0 50 EHAA Cc1nc([C@@H]2CCCN2c2cnc3cc(F)c(F)cc3n2)[nH]c1C 895194493 ZEJZYSFUCBELEF-HNNXBMFYSA-N 329.354 3.589 0 50 EHAA Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccccc1)CC(O)=N2 15083348 CMWONNJIZSGHNY-LBPRGKRZSA-N 339.786 3.748 0 50 EHAA Cc1c(C(=O)N2CCO[C@@](C)(C(F)(F)F)CC2)[nH]c2ccccc12 2325792878 SBQDYXHJRXWYJH-MRXNPFEDSA-N 340.345 3.660 0 50 EHAA FC(F)(F)Cn1cnc2cc(NCc3cnc(C4CC4)[nH]3)ccc21 2325806064 QCAJBRZRQBRZCC-UHFFFAOYSA-N 335.333 3.811 0 50 EHAA COc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(F)c([C@H](C)O)c1)C2 908175839 AZFDNEXMQFQRLZ-WFASDCNBSA-N 343.398 3.631 0 50 EHAA CCCOc1nc(C(=O)N(C)c2ncccc2F)cc2ccccc12 131740123 PRXFEWMEWZEDNO-UHFFFAOYSA-N 339.370 3.834 0 50 EHAA O=C(/C=C/c1ccc(Cl)cc1)NCCc1nc2ccccc2[nH]1 64011 ISSFDELUWZTGFU-JXMROGBWSA-N 325.799 3.588 0 50 EHAA CC1(C)CC2(CC(C)(C)N1)OC(=O)N1CCc3ccccc3[C@]12C 105568 GYBHSJDARJTSAO-IBGZPJMESA-N 328.456 3.590 0 50 EHAA CN(C)CCCN1C(=O)CS[C@H]1c1ccc(Cl)c(Cl)c1 196406 CQQUVPWMVQOMTM-AWEZNQCLSA-N 333.284 3.519 0 50 EHAA COc1ccccc1N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 207950 QZNLWOYELUEHSQ-UHFFFAOYSA-N 345.830 3.703 0 50 EHAA Cc1cc(OCC(=O)N2CCC(C)CC2)cc(C)c1Br 311409 WGINHZUPQHXBQU-UHFFFAOYSA-N 340.261 3.703 0 50 EHAA CC[C@@H](C)Nc1nnnc2c1sc1nc3c(cc12)COC(C)(C)C3 331075 PWNZXZATVJIHHA-SECBINFHSA-N 343.456 3.696 0 50 EHAA CCOc1cc(OCC)cc(C(=O)Nc2cccc(C(C)=O)c2)c1 459736 CCIQAZLGYHHDKU-UHFFFAOYSA-N 327.380 3.939 0 50 EHAA CCc1cc(=O)oc2c(C)c(OC(=O)c3cccc(OC)c3)ccc12 488771 IMHDYQULELPVAN-UHFFFAOYSA-N 338.359 3.892 0 50 EHAA biogenic CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 2856758 IPUPGHIDCAORTO-UHFFFAOYSA-N 347.436 3.601 0 50 EHAA Cc1cc(NC(=O)c2ccccc2C(=O)O)ccc1Br 3122549 LDXWLHFTIVKWNU-UHFFFAOYSA-N 334.169 3.708 0 50 EHAA O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(O)c1 4785342 WGNDTEKNJNSNPQ-UHFFFAOYSA-N 343.770 3.667 0 50 EHAA CCCCC(=O)N[C@@H](SC1=NCCS1)C(Cl)(Cl)Cl 5458232 OCDBWPXTFUTCAM-QMMMGPOBSA-N 349.736 3.825 0 50 EHAA CCOc1c(Cl)cc(CNCc2ccc(C(=O)O)cc2)cc1OC 6703874 AUQWLJBFTNTKIZ-UHFFFAOYSA-N 349.814 3.735 0 50 EHAA CC[C@H](NC(=O)c1cn(C2CCCCC2)nn1)c1ccc(C)cc1 12715409 XWGAYHSIYMXKPY-KRWDZBQOSA-N 326.444 3.973 0 50 EHAA Cc1ccc(CN2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 13320224 DELIPYGNYZFXKP-UHFFFAOYSA-N 341.430 3.792 0 50 EHAA C[C@H]1CCc2c(C(=O)N3CCN(c4ccccc4)CC3)csc2C1 13331605 ZSMJBRVVGODXRB-HNNXBMFYSA-N 340.492 3.835 0 50 EHAA CCCC(=O)N1CCC[C@@H]2CN(CCCc3ccccc3)CC[C@@H]21 14985802 FSNBHATVZUVFFC-UXHICEINSA-N 328.500 3.732 0 50 EHAA Cc1nc2cc(CC(=O)Nc3c(C)cnn3[C@H](C)C3CC3)ccc2[nH]1 55370740 UNAUKAPAQSCDKZ-GFCCVEGCSA-N 337.427 3.528 0 50 EHAA Cc1cc(C)n(CCCN(C)Cc2cn[nH]c2-c2ccc(F)cc2)n1 67871541 YDRRHVGSAZHBEZ-UHFFFAOYSA-N 341.434 3.551 0 50 EHAA Cc1cccc2[nH]c(C3CCN(Cc4cnn(C)c4C4CC4)CC3)nc12 72144535 UXRLQBDWXKRBFD-UHFFFAOYSA-N 349.482 3.862 0 50 EHAA Cc1cnn(CCCN2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1 72150991 HXUWWOFUZYGIHO-GOSISDBHSA-N 341.434 3.824 0 50 EHAA CC(C)Nc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72463141 KOWFEOWCTLPZAD-UHFFFAOYSA-N 330.863 3.620 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)NC[C@H](CO)Cc1cccs1 91745952 WDXXYMHPHPVNJM-VQBCORBOSA-N 347.524 3.622 0 50 EHAA CC(C)n1cccc1C(=O)N1CCC[C@@H](c2cccc(C(=O)O)c2)C1 95355002 VUVGKAXOOQDNGR-QGZVFWFLSA-N 340.423 3.787 0 50 EHAA CCn1c(CNC(=O)Nc2c(C)cc(C)nc2C)nc2ccccc21 95506435 MTERFKAMAPWHLT-UHFFFAOYSA-N 337.427 3.698 0 50 EHAA Cc1cccc(N[C@H]2CC(=O)N(c3cc(Cl)ccc3C)C2=O)c1 101332491 CBNZUIKAEIDPEL-HNNXBMFYSA-N 328.799 3.701 0 50 EHAA O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc2nc(S)oc2c1 124184332 JNZRYOMTSLRNNU-ZDUSSCGKSA-N 346.452 3.728 0 50 EHAA O=C(N1CCC[C@@H](Nc2ccccc2)C1)C1(c2ccc(F)cc2)CC1 126256057 OVFJPZUDKSASIO-LJQANCHMSA-N 338.426 3.960 0 50 EHAA CC1(C)C[C@H](NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCO1 155827801 OFCRZYUSXHODGQ-CQSZACIVSA-N 342.414 3.939 0 50 EHAA Fc1ccc(-c2nc(-c3cc(OC(F)F)ccc3F)no2)nc1 240465814 GAKVYSODOCEQCI-UHFFFAOYSA-N 325.221 3.678 0 50 EHAA Cc1ccnn1CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 244708250 KQBOYAUEGYUTJZ-MRXNPFEDSA-N 340.254 3.572 0 50 EHAA CN(C)Cc1ccc(CNc2ncnc3c(F)cccc23)cc1F 252486815 HOZGXBILFODKHJ-UHFFFAOYSA-N 328.366 3.582 0 50 EHAA COc1cc(C(=O)N[C@@H](C)C[C@@H](O)c2cccs2)ccc1Cl 270595910 YWCYDSIXAIEEQM-GXFFZTMASA-N 339.844 3.652 0 50 EHAA C[C@@H](Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)[C@H]1CCOC1 386456101 MTFBSTPABIYWPQ-HIFRSBDPSA-N 332.444 3.774 0 50 EHAA CC(C)c1nnsc1C(=O)N[C@H](CC(C)(C)C)c1cccnc1 670446970 PYYAYLYNRBLBJT-CYBMUJFWSA-N 332.473 3.964 0 50 EHAA C[C@H](NC[C@@H](c1ccccc1)C(C)(C)CO)c1cccc(O)c1F 872051616 JJHYIIAYIJNRDZ-YOEHRIQHSA-N 331.431 3.984 0 50 EHAA Cc1cc(C)nc(CN(C)C2CCN(c3cccc(F)c3)CC2)c1 952965266 DDEULWVXKHNDIO-UHFFFAOYSA-N 327.447 3.938 0 50 EHAA O=C(CCn1cccc1)Nc1c[nH]c2ccc(Br)cc12 1176931765 KWUMCFVHLCIEHV-UHFFFAOYSA-N 332.201 3.761 0 50 EHAA CCc1nccn1CCC(=O)N(C)C[C@@]1(c2ccccc2)CC1(C)C 1506407006 LKXYPLLTPTWUAV-OAQYLSRUSA-N 339.483 3.662 0 50 EHAA FC(F)(F)c1cccc(CN2CCC[C@@]3(CCc4c[nH]nc43)C2)c1 1775983400 WTLXUPXJRDTOBX-QGZVFWFLSA-N 335.373 3.909 0 50 EHAA Cc1cc(C(=O)NC2(c3ncc[nH]3)CC2)c(C)n1[C@H](C)c1ccccc1 1775998901 KETCYUXMLQQHDW-OAHLLOKOSA-N 348.450 3.856 0 50 EHAA CO[C@@H]1CC(c2nc(-c3cccc(Cl)c3)nn2C2CC2)C[C@H]1OC 1875347629 AIROUODMYLZFPP-HZPDHXFCSA-N 347.846 3.841 0 50 EHAA O=C(NCCCc1cccc(O)c1)NC[C@H]1CCCc2ccccc21 2325744586 VJWVHAAARXWJKO-GOSISDBHSA-N 338.451 3.744 0 50 EHAA COc1cc(C)nc(C)c1NC(=O)N(C)Cc1ccc2cc[nH]c2c1 2325781937 FQMKLIPURKIJCU-UHFFFAOYSA-N 338.411 3.852 0 50 EHAA CCc1ccc(S(=O)(=O)NCCc2ccc(C3CC3)cc2)s1 2325870364 UNIQXWIKMNDFPO-UHFFFAOYSA-N 335.494 3.709 0 50 EHAA CCOc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 465531 JZOVZMVXUWMDLH-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA CCOC(=O)NC(Nc1ccccc1C)(C(F)(F)F)C(F)(F)F 2937647 WLDKPMKHOSVQNI-UHFFFAOYSA-N 344.255 3.974 0 50 EHAA NC(=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 3328207 OSXGKPSEXAGCQI-UHFFFAOYSA-N 332.359 3.830 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 3991737 XYNMXYNIAWVXQI-UHFFFAOYSA-N 338.432 3.782 0 50 EHAA FC(F)Cn1ncnc1CN1CCCCC[C@H]1C1CCCCC1 225614354 QOZAXFBWUFVYOX-HNNXBMFYSA-N 326.435 3.868 0 50 EHAA CN(Cc1cccnc1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 55211192 GFNOLRNQKTZTEV-HXUWFJFHSA-N 341.474 3.607 0 50 EHAA Cc1ccsc1CN1CC[C@@H](CNC(=O)Nc2ccccc2)C1 67692209 ACVQGDUDLDBOMC-HNNXBMFYSA-N 329.469 3.700 0 50 EHAA O=C(c1csc(NC2CC2)n1)N1CCC(c2ccccc2)CC1 61721779 GIBBKIZYLPBVKD-UHFFFAOYSA-N 327.453 3.737 0 50 EHAA Cn1cc(C(=O)Nc2nc(C(C)(C)C)cs2)c2ccccc2c1=O 61718645 WNKULGAGJCZRHX-UHFFFAOYSA-N 341.436 3.545 0 50 EHAA CCN(C(=O)C1CCN(C(C)C)CC1)[C@@H](C)Cc1ccc(OC)cc1 65530960 UNMGMKQKXKMJGM-KRWDZBQOSA-N 346.515 3.595 0 50 EHAA COc1cccc([C@@H]2NC(=S)NC3=C2CCCc2ccccc23)c1 8925708 ZZAGYJZHSQZOFE-SFHVURJKSA-N 336.460 3.962 0 50 EHAA COc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2C1CC1 65396674 VFVKWAVWHBTZCP-MRXNPFEDSA-N 336.391 3.783 0 50 EHAA C[C@H](Cc1ccccn1)n1cnc2cccc(C(F)(F)F)c2c1=O 32520253 INQUWDSPEQAFAY-LLVKDONJSA-N 333.313 3.614 0 50 EHAA Cc1ccccc1Cn1cc(NC(=S)N2CCc3ccccc32)cn1 2799460 KBFPMGNHLULFJM-UHFFFAOYSA-N 348.475 3.999 0 50 EHAA Cc1cccc(OC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 4023824 OGEIPSHWRLGGQV-UHFFFAOYSA-N 334.297 3.969 0 50 EHAA OCCOc1cccc(CN2CCCC[C@@H]2c2cccc(F)c2)c1 72475839 TXIDMQIGVMTBCL-HXUWFJFHSA-N 329.415 3.924 0 50 EHAA Cc1cc(-c2ccc([C@H](C)N3CCOCC3)cc2)ccc1C(=O)O 32520397 FXGNTEFKOOOULT-HNNXBMFYSA-N 325.408 3.753 0 50 EHAA O=C(N1CCC2(CCOCC2)CC1)C1(Nc2ccccc2)CCCC1 71747249 SNXPABIRZBUUMA-UHFFFAOYSA-N 342.483 3.831 0 50 EHAA C[C@H](NC(=O)CN1CCC(Cc2ccccc2)CC1)c1ccccc1 7788128 MCTQACUZXRZMGP-SFHVURJKSA-N 336.479 3.819 0 50 EHAA Cc1cnc(CNc2cc(-c3ccccc3)nc3c(C)c(C)nn23)cn1 72457693 VPKXRAVRSUYSRT-UHFFFAOYSA-N 344.422 3.724 0 50 EHAA CSc1cccc(CN(Cc2ccncc2)C[C@H]2CCCO2)c1 215327499 NWIPCQZJKQZLME-GOSISDBHSA-N 328.481 3.985 0 50 EHAA O=C(c1ccc2cc[nH]c2c1)N1CCC([C@H](O)Cc2ccccc2)CC1 77504984 ORHJIDXVFUWDNX-OAQYLSRUSA-N 348.446 3.624 0 50 EHAA Cc1cccc(C)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 33088837 BDGVGLQLTNFRMC-AWEZNQCLSA-N 332.403 3.988 0 50 EHAA CC(C)(CCC(=O)O)NC(=O)COc1ccc(Cl)c2ccccc12 262097696 HDKWDSJZNUXIMP-UHFFFAOYSA-N 349.814 3.632 0 50 EHAA C[C@@H](NC(=O)C(C)(C)C1CCCC1)c1ccc(OCC(=O)O)cc1 262868882 AVIKCVNACMTVBD-CYBMUJFWSA-N 333.428 3.544 0 50 EHAA CC(=O)c1ccc(CNC(=O)c2cc3c(s2)CCCCC3)nc1C 157986912 RVQXYPCNIVPTIN-UHFFFAOYSA-N 342.464 3.853 0 50 EHAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1cnc2ccccc2c1 77458947 KINIWYSIPDKXNA-UHFFFAOYSA-N 342.402 3.693 0 50 EHAA CCc1ncc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)cn1 71761558 BKHDFCAQVMDJOV-MRXNPFEDSA-N 341.430 3.663 0 50 EHAA CCn1ccnc1[C@@H](NCCc1cccc(C)c1)C1CCOCC1 449315178 GZTMBXLQZPFMPL-IBGZPJMESA-N 327.472 3.511 0 50 EHAA C[C@@H](c1nc(O)c2ccccc2n1)N1CCC[C@H](c2ccncc2)C1 289385848 QLKPGMKLQBJIKP-HOCLYGCPSA-N 334.423 3.671 0 50 EHAA O=C(CC1CCCCCC1)N1CCC(c2nnc3ccccn23)CC1 175057688 PFAFGWJAZLXXOM-UHFFFAOYSA-N 340.471 3.796 0 50 EHAA COc1ccc(F)cc1-c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 426362086 UNPFBYVZHQCSJC-OKILXGFUSA-N 343.398 3.751 0 50 EHAA CCOC1(c2nc(-c3ccc(N4CCCC4)cn3)no2)CCCC1 288884338 ADGIPXUVFWPUFA-UHFFFAOYSA-N 328.416 3.538 0 50 EHAA S=C1NCN(Cc2ccco2)CN1c1cc(Cl)ccc1Cl 20384742 CTSZQWRJEGHYNJ-UHFFFAOYSA-N 342.251 3.698 0 50 EHAA COc1cc(Cl)cc2cc(C(=O)N3CCOC4(CCCC4)C3)oc12 426443090 XBADZKMCELKGIP-UHFFFAOYSA-N 349.814 3.880 0 50 EHAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)CCc2ccncc2)c1 97468676 OAKZOOGHOKUGPD-FQEVSTJZSA-N 338.451 3.530 0 50 EHAA Cc1ccsc1CN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1)C2 1565528016 WXFPMDIESSYMLP-WMZOPIPTSA-N 340.492 3.793 0 50 EHAA Fc1ccc2c(c1)[C@@H](NCC1CCC3(CC1)OCCO3)CCS2 170091543 TTWMMBVXFNJYCB-INIZCTEOSA-N 337.460 3.886 0 50 EHAA COc1cnccc1[C@H](C)NC(=O)N1CCCC[C@H]1c1nccs1 187491182 YIXLFNJYYHFDQW-JSGCOSHPSA-N 346.456 3.545 0 50 EHAA CCc1nc2cc(NC(=O)N[C@@H](C)c3ccncc3OC)ccc2o1 188214239 CFJRAUAOXRUKMC-NSHDSACASA-N 340.383 3.677 0 50 EHAA Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)co1 188886985 UWWGPHQJGBINJD-HUUCEWRRSA-N 339.313 3.555 0 50 EHAA Cc1ncsc1CN(C)[C@@H](C(=O)O)c1ccccc1C(F)(F)F 652409425 ZPNZBEHNNIWMIE-CYBMUJFWSA-N 344.358 3.728 0 50 EHAA Cc1nc(C)c(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)s1 1529151855 GCMJYUYJIRGASR-SJORKVTESA-N 344.480 3.998 0 50 EHAA Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)o1 474377 BPEFITAPUXTXOI-MDZDMXLPSA-N 344.436 3.669 0 50 EHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)C(C)(C)C)C1 12467186 HZDYPFNZAHGSHK-HXUWFJFHSA-N 349.446 3.586 0 50 EHAA CCCCNCc1ccc(OCc2ccc3c(c2)OCCO3)cc1 15356886 AHSCVGPJVKLGCZ-UHFFFAOYSA-N 327.424 3.927 0 50 EHAA CCCn1c(CN2CCC(C)CC2)nc2cc(NC(C)=O)ccc21 16647708 MVNHXXBCVOXQAR-UHFFFAOYSA-N 328.460 3.637 0 50 EHAA O=C([C@H]1[C@H]2CC[C@@]1(c1ccnn1C1CCC1)C2)N1CCC(F)(F)CC1 1857529542 XJBAOYPZASZQDP-XCRHUMRWSA-N 349.425 3.534 0 50 EHAA Cc1nccc(-c2ccccc2)c1C(=O)N[C@H]1CCCCCC[C@@H]1O 1857676152 KQILKESFUSWVJI-OALUTQOASA-N 338.451 3.871 0 50 EHAA Cc1ccc(-c2nccn2-c2c(N3CCCC3)nn(C)c2C)c(F)c1 1857694848 KIBKQXGAUGWZKW-UHFFFAOYSA-N 339.418 3.629 0 50 EHAA CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc[nH]c2C2CC2)cc1 252496061 PELXVNNEIHAWKX-UHFFFAOYSA-N 339.439 3.555 0 50 EHAA CCc1cc(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)oc1CC 163052166 CNDPYBWGASBLFR-UHFFFAOYSA-N 330.359 3.681 0 50 EHAA CC(C)c1ncsc1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1 910299147 QONFSIQRWCXYIH-QWHCGFSZSA-N 330.409 3.707 0 50 EHAA O=C(c1cnc(-c2ccccn2)nc1)N1CCCCC[C@@H]1c1ccco1 933197194 UQGVELCVKWMLGJ-QGZVFWFLSA-N 348.406 3.889 0 50 EHAA CCOc1ccc2nc(N3CCC[C@@H]3c3nnc(C)o3)sc2c1 1875287043 SOUCNAMJXNWRNE-CYBMUJFWSA-N 330.413 3.728 0 50 EHAA O=C(C[C@H]1CCNC[C@@H]1F)N1CCc2cc(-c3ccccc3)ccc21 1875267312 PJUBBJJJCIKWJJ-MJGOQNOKSA-N 338.426 3.580 0 50 EHAA Cc1ccc(NC(=O)OC(C)(C)C)c(OC[C@H]2C[N@]2CC2CC2)c1 1875383732 AGOYGIRQUFUSJR-VFNWGFHPSA-N 332.444 3.815 0 50 EHAA CC[C@@H](C)N1CCC(NC(=O)NCC2(c3ccccc3)CCC2)CC1 1875342465 SJCLGXIUBGGMMG-QGZVFWFLSA-N 343.515 3.670 0 50 EHAA CCOCc1nc(C)cc(N2CCC[C@H](c3nc(C)c(C)s3)C2)n1 892194825 ZGFBYLDXTPBHHF-HNNXBMFYSA-N 346.500 3.779 0 50 EHAA CCc1ccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2CO)cc1 1775992825 NHRSQWXSJCFQKN-UHFFFAOYSA-N 339.844 3.504 0 50 EHAA C[C@H](Oc1cccc(Cl)c1)c1nnc(/C=C/c2cnn(C)c2)o1 1323093463 RKVANQSHYPMQPR-MLRMMBSGSA-N 330.775 3.767 0 50 EHAA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 44472 MJLMZALQZIKYET-MRXNPFEDSA-N 348.830 3.844 0 50 EHAA CC(C)OCc1c(-c2nc([C@H](N)C3CC3)no2)oc2ccccc12 2325705583 NPDFZXGVMORCLS-OAHLLOKOSA-N 327.384 3.818 0 50 EHAA Cn1cnc2c1CCC[C@H]2C(=O)Nc1ccccc1-c1nccs1 2325781288 AEHHBVFRFYWAAL-CYBMUJFWSA-N 338.436 3.602 0 50 EHAA CCOC(=O)[C@@H]1CC2(CCC(O[Si](C)(C)C(C)(C)C)CC2)CN1 201747482 XAYBFASIKQZINL-CSLYMUCUSA-N 341.568 3.862 0 50 EHAA CN(C)Cc1ccc(C(=O)N2CC=C(c3cccc4ccccc34)C2)[nH]1 2325859758 JNUCTBIIZSCKDS-UHFFFAOYSA-N 345.446 3.769 0 50 EHAA O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)CNC2 2325863089 VCYSHDUPNRJXLR-UHFFFAOYSA-N 335.329 3.630 0 50 EHAA Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3Cl)[nH]n2)o1 2325873344 DRJWWUHVGSSLFH-UHFFFAOYSA-N 344.754 3.671 0 50 EHAA COc1cc(CN[C@@H]2CCCc3ccccc32)cc(OC)c1OC 169426 MYNIKCMGSZIZQP-QGZVFWFLSA-N 327.424 3.880 0 50 EHAA CCCc1cc(C(N)=O)c(NC(=O)c2ccc(F)cc2Cl)s1 6730391 OQPXCNKKSCRUMX-UHFFFAOYSA-N 340.807 3.844 0 50 EHAA COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(Cl)cc2)c1 8682732 HGLVADAAQKYPHS-UHFFFAOYSA-N 348.855 3.922 0 50 EHAA Cc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1nccs1 8909099 SMAPKBNXOQTNSF-UHFFFAOYSA-N 337.404 3.956 0 50 EHAA O=C(Nc1cccc(F)c1)N1CCN(C/C=C/c2ccccc2)CC1 55518275 ZZAJWCKFNHIZKU-VMPITWQZSA-N 339.414 3.689 0 50 EHAA Fc1ccc(Cn2ncc3c2CN(c2ncc(Cl)cc2F)C3)cc1 67677518 YYWWMWSPEUZQEK-UHFFFAOYSA-N 346.768 3.778 0 50 EHAA COc1ccc(-c2nc(Cn3cnc(C4CC4)n3)c(C)o2)c(C)c1C 67559550 ZPVNGXILADNNDS-UHFFFAOYSA-N 338.411 3.793 0 50 EHAA O=C(NC1CCCCCC1)C1CCN(Cc2ccccc2F)CC1 20100487 KFMAGQRBCSUAAE-UHFFFAOYSA-N 332.463 3.877 0 50 EHAA O=C(NCC12CC3CC(CC(C3)C1)C2)c1nc(-c2cccs2)no1 4694818 OYRWDKLWMBWSCC-UHFFFAOYSA-N 343.452 3.744 0 50 EHAA Cc1cccc(-c2c[nH]nc2C2CCN(Cc3[nH]cnc3C)CC2)c1 77393332 QJKBFDPQUXMWSX-UHFFFAOYSA-N 335.455 3.796 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(C)s3)C2)c1 229445153 WKCLDLFWQQCOBB-OWCLPIDISA-N 329.469 3.529 0 50 EHAA Cc1noc(C)c1CNC(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 253418468 QZQYNSANEMJTLU-GOSISDBHSA-N 344.455 3.719 0 50 EHAA CC(C)c1cc(N2CCC[C@@H](N(C)C)CC2)nc(C(F)(F)F)n1 72134299 MDBYEBMCDOUWHW-GFCCVEGCSA-N 330.398 3.539 0 50 EHAA O=C(c1cc2[nH]ccc2s1)N(Cc1ccco1)C[C@@H]1CCCO1 358900187 HZFCPZWHGHIBLI-ZDUSSCGKSA-N 330.409 3.644 0 50 EHAA Cc1nc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)cs1 72410891 SQSTTWRISFPLAA-GFCCVEGCSA-N 332.469 3.646 0 50 EHAA c1cc(C2CCN(Cc3cnc(N4CCCC4)s3)CC2)ccn1 215578999 OHXBRXLOKRIOMO-UHFFFAOYSA-N 328.485 3.518 0 50 EHAA CN(Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CCN(c2ccccc2)C1 77505600 DXPVCNDRHUTVSC-MRXNPFEDSA-N 336.439 3.628 0 50 EHAA COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c2ccccc12 41095712 BXGNRQJAPOLKJN-UHFFFAOYSA-N 348.811 3.698 0 50 EHAA CN(Cc1cc(-c2ccncc2)no1)C(=O)C[C@H]1CCc2ccccc21 82099511 GSVPWXHBXYGUQH-QGZVFWFLSA-N 347.418 3.815 0 50 EHAA O=C(Nc1cnn(Cc2ccccc2)c1)c1c(F)cccc1Cl 517469919 OWOXDVSIPCBCRT-UHFFFAOYSA-N 329.762 3.976 0 50 EHAA O=C(NCc1ccc(Cl)s1)N1CCO[C@@H](c2cccs2)C1 177880181 KNADNQSGQGXMLE-LLVKDONJSA-N 342.873 3.746 0 50 EHAA O=C(Nc1cnc(C2CC2)nc1)N1CCC(OCC2CCCC2)CC1 177835052 XWXZYLBCJRCUMB-UHFFFAOYSA-N 344.459 3.557 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)NCc1noc(-c2cccs2)n1 91931275 YHQSBMFWQFEYKW-ZDUSSCGKSA-N 339.420 3.534 0 50 EHAA Cc1ccc(Cc2ccccc2C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)cc1 91535651 CKTLIHMLIATPLN-PZJWPPBQSA-N 348.490 3.752 0 50 EHAA CN(Cc1nccs1)[C@H]1CC12CCN(C[C@H]1CC=CCC1)CC2 275841260 WCQGGTWAUDFTMP-IRXDYDNUSA-N 331.529 3.786 0 50 EHAA C[C@@H](CNC(=O)c1c[nH]nc1-c1ccsc1)Cc1cccs1 187377494 RKHCTHDQIBRHFA-LLVKDONJSA-N 331.466 3.808 0 50 EHAA O=C(Nc1ccc(Cl)cc1-c1ccccc1)N1CCS(=O)CC1 190697363 DTWDEENOMJEQAH-UHFFFAOYSA-N 348.855 3.603 0 50 EHAA COc1cccc2c1CCN(C(=O)c1coc(-c3ccccc3)n1)CC2 193238989 NDOIWQVJSPPOFA-UHFFFAOYSA-N 348.402 3.591 0 50 EHAA COc1ccc(NC(=O)Nc2cnn(C3CCCC3)c2C)c(C)n1 193664064 NXXZFNQIZQYJJL-UHFFFAOYSA-N 329.404 3.663 0 50 EHAA O=C(NC1CC2(CCC2)C1)c1cnc(-c2ccc3c(c2)OCO3)s1 652972009 NAWOHEALCIENBW-UHFFFAOYSA-N 342.420 3.601 0 50 EHAA Cc1ccc(N2CCC(NCCN3CCc4ccccc43)CC2)cc1 1506429305 WYMCBBDMRZMQQV-UHFFFAOYSA-N 335.495 3.616 0 50 EHAA CCc1c(C)noc1NC(=O)c1cccc(NC(=O)[C@H](C)CC)c1 1529179875 FTMYZLKLDILPSO-LLVKDONJSA-N 329.400 3.782 0 50 EHAA COc1ccc(CN2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cc1O 1529198876 NPUPCOUEXOYLBS-LEWJYISDSA-N 339.435 3.753 0 50 EHAA COc1ccc(CC[C@H](C)N2CCC(c3ccnc(O)c3)CC2)cc1 1772805743 RMKFTEXRWYOANK-INIZCTEOSA-N 340.467 3.997 0 50 EHAA C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H]1CCCO1 12383298 CQCZUELSBOMQDV-GZMMTYOYSA-N 327.808 3.991 0 50 EHAA CCn1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cn1 12716493 SKPBDOWQKRAYLO-MRXNPFEDSA-N 331.847 3.651 0 50 EHAA O=C(c1ccccc1F)N1CCN(Cc2cccc3ccccc23)CC1 19774014 VSTKPIMDYBVIOR-UHFFFAOYSA-N 348.421 3.937 0 50 EHAA O=C(CCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)cc1 19798550 FAQLEPILVVDIAQ-HXUWFJFHSA-N 327.399 3.862 0 50 EHAA CC[C@]12COC(=O)N1CCN(Cc1ccc(C3CCCC3)s1)C2 1857675224 OLCMPTVUVQXUMJ-SFHVURJKSA-N 334.485 3.822 0 50 EHAA CCn1c([C@@H]2CCCN2c2nc(C)cc(OC)n2)nc2ccccc21 674882161 ZBMGQBGEFQCSFB-INIZCTEOSA-N 337.427 3.505 0 50 EHAA Cc1cccnc1[C@@H](C)NC(=O)NCc1ccccc1Br 912389395 XVDKZQUOLZCLAM-GFCCVEGCSA-N 348.244 3.713 0 50 EHAA CC(C)n1cc(Br)c(C(=O)Nc2ncccc2Cl)n1 904109702 OVSICODLGFCYGS-UHFFFAOYSA-N 343.612 3.527 0 50 EHAA C[C@H]1CN(C(=O)NCCc2cccc(Cl)c2)CC2(CCCC2)O1 1223762224 DAXPSLPBRUJUBD-AWEZNQCLSA-N 336.863 3.626 0 50 EHAA CC1=Nc2ccccc2C12CCN(C(=O)c1cc(C3CC3)nn1C)CC2 823806470 YMGDXFGOESMFPG-UHFFFAOYSA-N 348.450 3.578 0 50 EHAA COc1cc(F)c([C@H](C)NCc2ccc(O)c(F)c2F)cc1OC 952993057 MJAFPMKLJHTCRN-VIFPVBQESA-N 341.329 3.678 0 50 EHAA CCCCc1cc(O)nc(COc2ccc(NC(=O)C(C)C)cc2)n1 1776004866 ZZQSOSDOTKCQMH-UHFFFAOYSA-N 343.427 3.698 0 50 EHAA COc1cc(OC)cc(C(=O)Nc2ccc3nc(C)c(C)nc3c2)c1 4512243 RQIFTBIYCWHKKF-UHFFFAOYSA-N 337.379 3.516 0 50 EHAA biogenic,in-vitro O=c1cc(CSc2nnc(-c3ccccc3)o2)c2ccccc2[nH]1 8584068 PGPFHYBBHHMMCD-UHFFFAOYSA-N 335.388 3.870 0 50 EHAA OCc1cnccc1N1CCC(c2nc3cc(F)ccc3s2)CC1 2325764457 GARKTEVUIWYZAX-UHFFFAOYSA-N 343.427 3.707 0 50 EHAA c1ccc2c(Cc3nc(Cc4ccn(C5CCCC5)n4)no3)noc2c1 2325803471 IUABTFYFKPUVKC-UHFFFAOYSA-N 349.394 3.704 0 50 EHAA COc1ccc2cc(CN[C@H](C)c3cnn4ncccc34)ccc2c1 2325856698 ZQPKOICWYOSGNE-CQSZACIVSA-N 332.407 3.742 0 50 EHAA C[C@H]1Cc2cc(CNCCn3cnc4cc(Cl)ccc43)ccc2O1 2325857539 FUDCISTVENFQNR-ZDUSSCGKSA-N 341.842 3.803 0 50 EHAA Cc1ccc(O)cc1C(=O)NCCc1nc(-c2ccccc2)oc1C 2325864409 NOYMUCGPQKIVKQ-UHFFFAOYSA-N 336.391 3.637 0 50 EHAA COc1ccc(NC(=O)c2sc(N)nc2-c2ccccc2)cc1 38151 UYQYKFCAEVZZCW-UHFFFAOYSA-N 325.393 3.653 0 50 EHAA CCc1c(C(=O)NC2(C(F)(F)F)CCOCC2)oc2ccccc12 410531206 TYHLTDZWLRWYLD-UHFFFAOYSA-N 341.329 3.837 0 50 EHAA O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccccc1O 110599 KCRFXPRSSRAERQ-UHFFFAOYSA-N 328.371 3.682 0 50 EHAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2)N1 186639 PWUCZOIMMZEDLA-HZPDHXFCSA-N 326.783 3.510 0 50 EHAA biogenic,in-vitro S=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2)CC1 452193 HGJSJRKHHGSOKL-UHFFFAOYSA-N 331.872 3.859 0 50 EHAA CCc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)cc1 1773431 FOHDPWUFUNRKKC-UHFFFAOYSA-N 341.407 3.818 0 50 EHAA CCCCc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N 2271416 IYORWILQJKXVFG-UHFFFAOYSA-N 333.844 3.835 0 50 EHAA CCOCc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 2848282 QOGJKWACIGILHS-UHFFFAOYSA-N 339.420 3.994 0 50 EHAA Nc1c(C(=O)Nc2ccc(Br)cc2)sc2ncccc12 10010077 JFTGRPBLEFEAJJ-UHFFFAOYSA-N 348.225 3.893 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)N(Cc1ccccc1)CC1CCC1 57399568 MQAOWWXVWBMXOF-UHFFFAOYSA-N 339.483 3.798 0 50 EHAA Cc1noc(C)c1C(=O)N(Cc1ccccc1)Cc1nccs1 55060602 KBDYTWOIWONOKU-UHFFFAOYSA-N 327.409 3.591 0 50 EHAA C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cn3cc(Cl)ccc3n2)C1 225603542 ANERHEYPLKFHOA-DYVFJYSZSA-N 326.831 3.966 0 50 EHAA Cc1cccc(N2CCC(N3CCC[C@@H](N4CCCC4)C3)CC2)c1C 20599848 DMDYETDBZAERDC-OAQYLSRUSA-N 341.543 3.832 0 50 EHAA COc1cccc(C[C@H]2CN(C/C(C)=C/c3ccco3)CCO2)c1 20539903 LIAADPIJDLLGKQ-PRDNPTHXSA-N 327.424 3.635 0 50 EHAA O=C(Nc1ncc[nH]1)c1cc(-c2ccccc2)nn1-c1ccccc1 170625682 FFTBRTJKWKTFAU-UHFFFAOYSA-N 329.363 3.515 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC[C@H]1Cc1ccc(F)cc1 344791256 SSFVIBOJUVPYEQ-SJCJKPOMSA-N 329.419 3.503 0 50 EHAA CCOc1ccccc1N1CCN(Cc2ccc(F)cc2F)CC1 55542927 HQVLSEHXUJPEAY-UHFFFAOYSA-N 332.394 3.686 0 50 EHAA CCc1oc(C(=O)N(C)[C@@H](C)c2nccs2)cc1CN(CC)CC 55341951 MZECWPSDNJWFSE-ZDUSSCGKSA-N 349.500 3.974 0 50 EHAA Cc1ccc(C(=O)NCCC2=CCCN([C@H]3C=CCCC3)C2)cc1F 65373584 JFWAKHJFMRHLOI-IBGZPJMESA-N 342.458 3.995 0 50 EHAA CC(C)c1ccc(N[C@H]2CCCN(CCCn3cccn3)C2)cc1 23379718 MKEVMNOWKOAPRB-FQEVSTJZSA-N 326.488 3.973 0 50 EHAA CC(C)c1cc([C@@H]2CCCN2C(=O)NCc2ccc(F)cc2)no1 64667167 JWGAISUPAVWHGM-INIZCTEOSA-N 331.391 3.984 0 50 EHAA COc1ccc(-c2nc(CN3CCC(C)CC3)c(C)o2)c(OC)c1 20997369 YSYCJGZAXCPQIN-UHFFFAOYSA-N 330.428 3.899 0 50 EHAA Cc1cc(NC(=O)COc2ccccc2F)n(-c2ccccc2C)n1 121689209 CMLSJPVPGDTWFJ-UHFFFAOYSA-N 339.370 3.646 0 50 EHAA CNCCCNC1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 63857311 BCYJJRYDMNVYKA-UHFFFAOYSA-N 341.474 3.661 0 50 EHAA C[C@H](C(=O)n1cccn1)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2777735 BDWNOLWWIQDNEL-SSDOTTSWSA-N 332.713 3.531 0 50 EHAA O=C(c1cccn1-c1ccc2c(c1)OCO2)C(Cl)(Cl)Cl 4050290 PRYFEOMUOMQRBW-UHFFFAOYSA-N 332.570 3.759 0 50 EHAA O=C(O)[C@@H]1CCN(C(=O)c2cc3c(s2)CCCC3)c2ccccc21 325891966 SPYNNWCISYHXCJ-CQSZACIVSA-N 341.432 3.846 0 50 EHAA COCC(C)(C)N(C)C(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1 424855202 XVRKIOQRCLOXAO-UHFFFAOYSA-N 337.423 3.727 0 50 EHAA Cc1cccc(Oc2ccccc2C(=O)Nc2cc(C)nc(O)n2)c1 253536315 SICUPZJIIMTSMI-UHFFFAOYSA-N 335.363 3.844 0 50 EHAA COc1cc2c(cc1CN1CCC[C@H]1c1ccccn1)OCCCO2 72143880 AVJPNKZEPHOBPE-KRWDZBQOSA-N 340.423 3.589 0 50 EHAA Cc1ncsc1CN(C/C=C/c1ccc(F)cc1)C[C@@H]1CCNC1 328637431 OPWFJONUPUBNBR-RCAFFNEUSA-N 345.487 3.716 0 50 EHAA O=C(CC1=CCCCC1)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 12712157 MKLXOYPLUGXELJ-SFHVURJKSA-N 348.450 3.923 0 50 EHAA O=C(O)c1ccc(C[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 72160896 VUHMFWGTLKFMCQ-MRXNPFEDSA-N 338.407 3.871 0 50 EHAA Cc1nc(CCSc2nnc(-c3ccc(F)cc3)n2C)cs1 156914037 SZZHTSGRHIGXQA-UHFFFAOYSA-N 334.445 3.721 0 50 EHAA Cc1nnc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)s1 71750875 VSSSDSRVJMPMDJ-CYBMUJFWSA-N 344.267 3.727 0 50 EHAA COc1ccc(C)cc1S(=O)(=O)N(C)[C@H](C)Cc1ccccc1C 443222253 ZNGFLHXXXGPQCV-MRXNPFEDSA-N 347.480 3.564 0 50 EHAA COc1ccccc1N1CC[C@@H](Nc2nc3cc(F)ccc3o2)C1 130040486 YGHYIRQEUULACN-CYBMUJFWSA-N 327.359 3.666 0 50 EHAA O=C(N[C@@H]1CSc2ccccc21)c1c[nH]nc1-c1ccsc1 444034709 IJJIMDRGSRQPTB-CYBMUJFWSA-N 327.434 3.715 0 50 EHAA CC(C)C1=NO[C@H](C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 217865108 BGNUZJVZTXTQQU-KRWDZBQOSA-N 345.830 3.507 0 50 EHAA Cc1ccc(-c2ccc(NC(=O)[C@H](C)OCCC(C)C)nc2)cn1 452152389 RDJYKIXJLSHJSC-HNNXBMFYSA-N 327.428 3.842 0 50 EHAA Cc1cc2nc(C(C)C)cc(N3CCC(c4ccncc4)CC3)n2n1 72429004 NYBHACBNHSNCDY-UHFFFAOYSA-N 335.455 3.940 0 50 EHAA 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SIMSANWXVJFUIF-SFHVURJKSA-N 329.831 3.969 0 50 EHAA CNC(=O)c1cccc(CCN[C@H]2C=C[C@@](C)(c3ccccc3)CC2)c1 1875305254 NRTWQHQWBYHXIA-JTHBVZDNSA-N 348.490 3.855 0 50 EHAA Cn1nc(C2CC2)cc1CNC(=O)C(C)(C)c1cccc(Cl)c1F 885827711 NRDHPVHURIGOFG-UHFFFAOYSA-N 349.837 3.684 0 50 EHAA CCc1ccc(C(C)(C)NCc2ccccc2S(C)(=O)=O)cc1 2325771788 PZSXTVXIWIKQQU-UHFFFAOYSA-N 331.481 3.677 0 50 EHAA Cc1c(-c2cnc(N3CCC(O)CC3)nc2)sc2ccccc12 2325806875 MEIHQLGHEBDMKU-UHFFFAOYSA-N 325.437 3.628 0 50 EHAA CC(C)c1ccc(-c2csc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2)cc1 2325866578 QECHOCVFTZLCGO-HOTGVXAUSA-N 341.480 3.648 0 50 EHAA Cc1cc(C)c2c(N)c(C(=O)N[C@H](C)c3ccccc3)sc2n1 61354 MCAYWJFTDPUQKE-GFCCVEGCSA-N 325.437 3.986 0 50 EHAA CCCCOC(=O)c1ccc(NC(=O)CSc2ccccn2)cc1 2356657 HUFIUKQEJHCRSY-UHFFFAOYSA-N 344.436 3.769 0 50 EHAA Cc1cc(C)c2nc(Nc3nc(=O)c4ccccc4[nH]3)nc(C)c2c1 4638184 QRYUIEMLNQWQPM-UHFFFAOYSA-N 331.379 3.535 0 50 EHAA Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c1 6178801 SKTSJUHHYGXUFX-UHFFFAOYSA-N 338.436 3.819 0 50 EHAA C[C@@H](O)c1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1 57354903 IPCCAFQOUXFBMM-OAHLLOKOSA-N 338.407 3.564 0 50 EHAA Cc1ccc(-c2nc(CN3CCC[C@H]3c3nonc3C)c(C)o2)o1 20783999 CAHLGFDIFSEQFD-AWEZNQCLSA-N 328.372 3.580 0 50 EHAA COc1ccc2cc(-c3n[nH]cc3CN3CCSCC3)ccc2c1 20256129 BDAKNRFXHBYFLQ-UHFFFAOYSA-N 339.464 3.787 0 50 EHAA CCc1cc(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)on1 67643114 XZLNPRMKVBWNNP-LEWJYISDSA-N 336.435 3.741 0 50 EHAA Cc1ccc2[nH]c(=O)c(CN(C)[C@H](c3ccccn3)C3CC3)cc2c1 67834329 ZBGJALMCZSWOCY-FQEVSTJZSA-N 333.435 3.815 0 50 EHAA C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H](C)N1C(=O)OC(C)(C)C 117871882 BQDWTKGOXJXCIY-HUUCEWRRSA-N 348.443 3.653 0 50 EHAA Cc1ccccc1-c1cccc([C@H]2CC(=O)NCc3nc(N)sc32)c1 65407229 TWVIEZUMCVTNCL-MRXNPFEDSA-N 349.459 3.853 0 50 EHAA COC(=O)CSc1nnc(SCc2ccccc2Cl)s1 25759711 BWSFZJZYSKUEIR-UHFFFAOYSA-N 346.886 3.749 0 50 EHAA CCc1cccc(C)c1NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 171575523 YASVDXCRLJQNQW-HNNXBMFYSA-N 342.443 3.735 0 50 EHAA Oc1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH]cn2)cc1 65393940 CVBXWDAQSYXFTF-UHFFFAOYSA-N 330.391 3.889 0 50 EHAA CC[C@H](O)CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67851523 IFGACTQOKCNFBY-KRWDZBQOSA-N 347.842 3.678 0 50 EHAA CCOC(=O)c1cnc(SC)nc1-c1cccc2cccnc12 67973684 APQNRJDLKFUETH-UHFFFAOYSA-N 325.393 3.590 0 50 EHAA COCc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)s1 215799850 VPWSTQIUMNIIQX-UHFFFAOYSA-N 329.343 3.843 0 50 EHAA COc1ccccc1O[C@@H]1CCCN(Cc2cncn2C(C)C)C1 425343682 CNNRNNXNWIYJOE-QGZVFWFLSA-N 329.444 3.516 0 50 EHAA Cn1c(-c2ccccc2Cl)nc2cc(C(=O)N3CCCC3)cnc21 77357549 UEYWFPPNBAZTFI-UHFFFAOYSA-N 340.814 3.525 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N[C@@H]1CCCN(C2CCCCC2)C1 129149174 YHAXPFCILJEMOL-OAHLLOKOSA-N 346.475 3.779 0 50 EHAA O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC[C@H]1c1ccc2c(c1)OCCO2 241644691 PSSNDJWGRCQQAP-OAGGEKHMSA-N 327.424 3.558 0 50 EHAA C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC2(CCOCC2)CC1 284894601 WMWXNFWZVXRPBY-AWEZNQCLSA-N 336.863 3.560 0 50 EHAA C[C@H](NC(=O)c1ccc(Cl)cc1F)c1nc(C(C)(C)C)no1 174699024 ZPQVUWKVMKSQGE-QMMMGPOBSA-N 325.771 3.651 0 50 EHAA NC(=O)c1cnc(-c2ccc(C3(N)CCC3)cc2)c(-c2ccccc2)c1 84705544 GIRZDHCBMNHMEH-UHFFFAOYSA-N 343.430 3.852 0 50 EHAA CCN(C(=O)NC1CCN(C2CCCC2)CC1)[C@H](C)c1cccnc1 176030894 SHKQBFKTIHECAQ-MRXNPFEDSA-N 344.503 3.581 0 50 EHAA Cc1nccn1CCC(=O)N1CCCC[C@H]1CCc1cccs1 82137567 QZHBEULUMNOOTQ-INIZCTEOSA-N 331.485 3.657 0 50 EHAA CSCCc1nc(CCCn2cccn2)n(C2CCCCC2)n1 96139993 WHIVTVDOUXZCIQ-UHFFFAOYSA-N 333.505 3.518 0 50 EHAA CN1C[C@@H](c2ccccc2)CC2(CCN(Cc3cccnc3)CC2)C1 96162551 QDFZILIUTXFHMB-NRFANRHFSA-N 335.495 3.783 0 50 EHAA C[C@@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)C1=CCCCC1 96151351 STYURDKMWWSTFE-CYBMUJFWSA-N 329.400 3.654 0 50 EHAA COc1cccc([C@@H]2CCCCN2CCC(=O)Nc2cccnc2)c1 244673705 HUFXXYVZBDVDGQ-IBGZPJMESA-N 339.439 3.646 0 50 EHAA CCCN(CC1CC1)c1nnc([C@H]2CCCO2)n1Cc1cccs1 296015864 OTXCZXKQFRSBSU-MRXNPFEDSA-N 346.500 3.866 0 50 EHAA C[C@H](C1CC1)n1nccc1NC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 297043047 XKUPOPITUNYSIO-UVLCOCDESA-N 326.444 3.530 0 50 EHAA Cc1cccc(NC2CCN(C(=O)Nc3ccncc3F)CC2)c1 184206836 PDYSRDSZIWSQGJ-UHFFFAOYSA-N 328.391 3.638 0 50 EHAA CN(C)CCN(C)C(=O)c1ccccc1Sc1ccccc1F 252507347 WIYHGRHKEYEQNI-UHFFFAOYSA-N 332.444 3.611 0 50 EHAA COc1ccccc1C1CCN(C(=O)N[C@H](C)C(F)(F)F)CC1 534650536 DFKRORUGFNJLAR-LLVKDONJSA-N 330.350 3.535 0 50 EHAA O=C(NCc1nc(C2CCCCC2)no1)c1cc(Cl)ccc1F 299788188 SHFUPZQPOZIHQI-UHFFFAOYSA-N 337.782 3.840 0 50 EHAA COCCN(Cc1ccccc1OC)C(=O)NC(C)(C)C(C)(C)C 584893373 LFZZKDROSQEHKX-UHFFFAOYSA-N 336.476 3.678 0 50 EHAA CCc1nc2cc(NC(=O)c3cnc(C(C)=O)s3)ccc2n1CC 952969479 FOJCDHMCNBKAOJ-UHFFFAOYSA-N 342.424 3.530 0 50 EHAA CC1([C@H]2CCCN(CCCc3cncc4ccccc34)C2)OCCO1 408514408 YOHGHJVXONZQLU-IBGZPJMESA-N 340.467 3.642 0 50 EHAA CO[C@H]1CCCC[C@@H]1OC(=O)c1cc(C)n(-c2nccs2)c1C 170593110 SRMBAZHBHCFWHK-GJZGRUSLSA-N 334.441 3.665 0 50 EHAA S=C(NC1CCCCC1)N1CCN(C/C=C/c2ccccc2)CC1 315557 KYBVUVYEFVLZDT-JXMROGBWSA-N 343.540 3.525 0 50 EHAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)CCCc1ccc(F)cc1)C2 1704344999 SPCDSEMEFQMSDC-QUCCMNQESA-N 333.447 3.956 0 50 EHAA CSCc1nnc2sc(Cc3cccc4ccccc34)nn12 1775972195 MSQMIEZQVJNSCD-UHFFFAOYSA-N 326.450 3.793 0 50 EHAA Cc1ccc2c(c1)CN(Cc1coc3ccccc3c1=O)C[C@@H](C)O2 11782758 RFACPQAUOOMDAH-OAHLLOKOSA-N 335.403 3.885 0 50 EHAA CN(C(=O)c1ccsc1)[C@@H]1CCCN(CCCc2ccccc2)C1 12094209 HYZCHUGNAROATJ-LJQANCHMSA-N 342.508 3.917 0 50 EHAA CC(C)c1cc(C(N)=O)c(NC(=O)CSc2ccccc2)s1 12382846 UIEXDGXALBHJJA-UHFFFAOYSA-N 334.466 3.701 0 50 EHAA CSCCC(=O)N1CCC(CCC(=O)Nc2cccc(C)c2)CC1 12701986 GSJJMIULCFCXGE-UHFFFAOYSA-N 348.512 3.705 0 50 EHAA O=C(N[C@H]1CCCN(CCCc2ccccc2)C1)c1ccc(F)cc1 14949525 TVHQRVHWIWEYBU-FQEVSTJZSA-N 340.442 3.653 0 50 EHAA Cc1nnc(NC(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)s1 16648577 UNGIGEXWEWOOSU-SNVBAGLBSA-N 344.465 3.822 0 50 EHAA C[C@H]1CC[C@H](NC(=O)NCc2cccc(N(C)C)n2)c2ccccc21 162678555 MKVUWAOPJVPRNF-KSSFIOAISA-N 338.455 3.585 0 50 EHAA COc1cc(/C=C/c2cc(C(F)(F)F)nc(O)n2)c(Cl)cc1O 4540791 ZVXHONLWZKTYDR-NSCUHMNNSA-N 346.692 3.739 0 50 EHAA C[Si](C)(C)CCOC(=O)N1CCC(c2cccc(CN)c2)CC1 202939723 XJBYOFRDUQQGHI-UHFFFAOYSA-N 334.536 3.800 0 50 EHAA NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 116287 QJIBDSLAIQGAQL-UHFFFAOYSA-N 344.414 3.823 0 50 EHAA O=C(c1ccccc1)N1CCN(c2nc(-c3ccccc3)cs2)CC1 801893 WNMUIOQELJGNGK-UHFFFAOYSA-N 349.459 3.773 0 50 EHAA O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)C12CC3CC(CC(C3)C1)C2 239760982 CIZFCIAPMFRGQV-YAVWMNLKSA-N 340.467 3.634 0 50 EHAA CCCC(=O)Oc1ccc2c3c(cccc13)C(=O)N(CCC)C2=O 575449251 SHXHTZRRMINVAE-UHFFFAOYSA-N 325.364 3.551 0 50 EHAA in-vitro C[C@H](NC[C@H](CCO)c1ccccc1)c1ccc(C(C)(C)O)cc1 863982367 FRULLYQLRDLLND-LPHOPBHVSA-N 327.468 3.731 0 50 EHAA COCC(C)(C)c1noc(-c2c(C)nn(-c3ccccc3)c2Cl)n1 952876344 NQLDOMUPRVVQDF-UHFFFAOYSA-N 346.818 3.808 0 50 EHAA Cc1nnc([C@H]2CCCN(Cc3cccc(OC(C)(C)C)c3)C2)o1 876665486 CDZQJBCONQVEHE-INIZCTEOSA-N 329.444 3.935 0 50 EHAA C[C@@H]1C[C@@H]1N(C(=O)c1ncnc2c1ccn2C1CC1)c1ccccc1 1875407954 KWQCEXFMDAHKSY-DYVFJYSZSA-N 332.407 3.821 0 50 EHAA COC1(c2noc(C[C@H](c3ccccc3)c3ncc[nH]3)n2)CCCC1 896183305 XLALBOKXNRUTLQ-OAHLLOKOSA-N 338.411 3.583 0 50 EHAA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2cccc(C)c2)NC(=O)N1 80307 NNQHZQSDSDHIPP-GOSISDBHSA-N 342.439 3.889 0 50 EHAA C[C@@H](NCCc1nn(C)c2ccccc12)c1ccc2c(c1)CCCO2 850463491 ZKQPVBOTZNBWOQ-OAHLLOKOSA-N 335.451 3.792 0 50 EHAA CCn1ccc2cc(NC(=O)c3cc4c(s3)CN(C)CC4)ccc21 2325855879 SHGIQRWAFQHLBH-UHFFFAOYSA-N 339.464 3.963 0 50 EHAA Cc1ccc([C@@H](CC(=O)N(C)C2CCC(F)(F)CC2)C(=O)O)cc1 899831511 SXAVOFKJOOKMNR-OAHLLOKOSA-N 339.382 3.590 0 50 EHAA CN(C)C(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 76471 YKPFZECYKCMBOB-UHFFFAOYSA-N 346.427 3.720 0 50 EHAA CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 77125 FABDFVRJVRKWHK-UHFFFAOYSA-N 326.402 3.819 0 50 EHAA O=C(O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 300081 TXCVDMINOJYADZ-UHFFFAOYSA-N 341.676 3.767 0 50 EHAA COc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc(OC)c1 318188 ZZXCWXASADFHFS-UHFFFAOYSA-N 329.396 3.845 0 50 EHAA CCOC(=O)c1c(NC(C)=O)sc(C(C)=O)c1-c1ccccc1 359468 XODYUEQCPTUAHF-UHFFFAOYSA-N 331.393 3.753 0 50 EHAA CCN(CC)C(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 462919 UZUKHSRFVNPUQK-UHFFFAOYSA-N 344.499 3.705 0 50 EHAA O=C(CCN1C(=O)c2ccccc2C1=O)Sc1ccc(Cl)cc1 464446 RUXZDPCRCMQQFE-UHFFFAOYSA-N 345.807 3.645 0 50 EHAA Cc1cc(C)cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 578990 CTLAARQYLKQGRN-UHFFFAOYSA-N 328.437 3.595 0 50 EHAA Cn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cccs3)nc21 20603356 WYLOMOYJULHEKI-UHFFFAOYSA-N 343.355 3.738 0 50 EHAA O=c1[nH]c2c(s1)[C@@H]1c3c(ccc4ccccc34)OC[C@H]1CS2 2484972 MCQQCBMARNECTO-GWCFXTLKSA-N 327.430 3.836 0 50 EHAA Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1 2944022 ZMRSCXZYEIGUOB-ZDUSSCGKSA-N 328.799 3.640 0 50 EHAA O=C(N[C@H]1CCOc2c(F)cccc21)C1(c2cccnc2)CCCC1 341409798 PABJYKVXPAVTIX-KRWDZBQOSA-N 340.398 3.673 0 50 EHAA O=C(CN1CCc2ccccc2C1)Nc1ccc(Cl)cc1Cl 6849167 MYVZVQRJAYZOOD-UHFFFAOYSA-N 335.234 3.990 0 50 EHAA O=C(Nc1ccccc1OCCCc1ccccc1)C1CCNCC1 55211872 XSDMJYUOIJOKRX-UHFFFAOYSA-N 338.451 3.636 0 50 EHAA COc1ccc(-c2cccc(-c3ccn(CCCO)n3)c2)cc1F 20586897 YCUUWJLGNHVYQJ-UHFFFAOYSA-N 326.371 3.747 0 50 EHAA CC[C@@H](C)N(Cc1cccnc1)C(=O)c1ccccc1-n1cccn1 55253020 CGTBMKJCRRSZDL-MRXNPFEDSA-N 334.423 3.708 0 50 EHAA O=C(Nc1cccc(F)c1)N1CCN(Cc2ccc(Cl)cc2)CC1 20437908 ZZRAJRDCCYVXCN-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA C[C@@H](NC(=O)CCCc1cccs1)c1nc2ccccc2n1C 136576632 FTVSVMIAVAQYBE-CYBMUJFWSA-N 327.453 3.835 0 50 EHAA CCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1ccccc1 65331103 UDSBOOCBRWWMKT-MRXNPFEDSA-N 333.391 3.745 0 50 EHAA Cc1noc(C)c1CN1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 280474333 PDEQVKRCEKCNCZ-WBMJQRKESA-N 340.345 3.618 0 50 EHAA Cc1c(Br)c(C(=O)Nc2ccc(C(C)C)cc2)nn1C 2763337 YEACKJJRTALSIC-UHFFFAOYSA-N 336.233 3.867 0 50 EHAA CC(C)OC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)O 5002938 OSMMTMKDUSZPCL-BTRQGYIVSA-N 336.387 3.546 0 50 EHAA biogenic CC(C)N1CCCC[C@@H]1CCn1cnc2cc(Cl)ccc2c1=O 32581806 SRCXPZMRUNGDDC-OAHLLOKOSA-N 333.863 3.703 0 50 EHAA O=C1CC[C@]2(CCCN(Cc3ccc4occc4c3)C2)CN1C1CC1 77458069 CXIDLIZKRIFZSN-NRFANRHFSA-N 338.451 3.800 0 50 EHAA CCS[C@@H]1CCCCN(C(=O)Nc2ccc(N3CCC3=O)cc2)C1 281340143 MIQXHDKQWHEEEW-MRXNPFEDSA-N 347.484 3.563 0 50 EHAA Cc1cc(C)n2ncc(CN3CC[C@@H](c4cccc(Cl)c4)C3)c2n1 215856717 NREVFVJBNFAWNL-MRXNPFEDSA-N 340.858 3.989 0 50 EHAA Cc1cccc(OC2CCN(Cc3cnn(C)c3C3CC3)CC2)c1 72474102 QPOSOGOGOLRTKB-UHFFFAOYSA-N 325.456 3.649 0 50 EHAA CS[C@@H]1CC[C@H](N(C)C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)C1 239366857 AGCXCKMCGPIILP-XMTFNYHQSA-N 348.512 3.690 0 50 EHAA O=C(O)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 238041464 RTQBRRGSJPWZKB-UHFFFAOYSA-N 345.345 3.569 0 50 EHAA O=C(NC1CCC(C(=O)O)CC1)c1cc(Cl)cc(C(F)(F)F)c1 263041900 DRHJWUWZTKDFOL-UHFFFAOYSA-N 349.736 3.732 0 50 EHAA CCc1noc(C)c1CN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 286070113 CVNCDOQUTPKOFZ-HZPDHXFCSA-N 346.431 3.507 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(-c2ccccn2)c1 263457721 BCWBKDLBPYZVGB-RLLQIKCJSA-N 336.435 3.966 0 50 EHAA O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H](c2ccn[nH]2)C1 193944416 PBSRUHPZGJNEDR-MRXNPFEDSA-N 336.439 3.620 0 50 EHAA CC(C)(C)OC(=O)NCCC[C@H](NCc1cc[nH]n1)c1ccccc1 289776419 XVRADPHENKDEMS-KRWDZBQOSA-N 344.459 3.546 0 50 EHAA C[C@H](Cn1cccn1)c1nc(Cc2cccs2)nn1C(C)(C)C 95507851 SWCYIDYRGQDSHL-CYBMUJFWSA-N 329.473 3.686 0 50 EHAA Cc1cc([C@@H]2CCCCN2C(=O)Nc2ccc3c(c2)CCC3=O)no1 95527104 XNIYFCSXGDWHSJ-KRWDZBQOSA-N 339.395 3.871 0 50 EHAA CCN(CC1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 96148913 XIWKYRWLBCXCFC-UHFFFAOYSA-N 330.350 3.986 0 50 EHAA Cc1cc(N2CCCN(C(=O)c3ccc(Cl)c(C)c3)CC2)ccn1 91780951 JIMHCTOOOBRBAY-UHFFFAOYSA-N 343.858 3.704 0 50 EHAA CCn1cncc1CNC(=O)c1sc2cccc(F)c2c1Cl 92098858 MHSSDIPXOKWABS-UHFFFAOYSA-N 337.807 3.840 0 50 EHAA Cc1ncsc1CCN(C)[C@H](C(=O)O)c1c(F)cccc1Cl 95369875 DTFDVLSHEFPGMY-AWEZNQCLSA-N 342.823 3.544 0 50 EHAA Cc1cscc1NC(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 291306780 LAMXMEMRZYXPLO-LJQANCHMSA-N 344.480 3.906 0 50 EHAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CCN2CCC[C@@H]2C1 243893040 ANUKZPKDVJPUBV-LJQANCHMSA-N 339.414 3.805 0 50 EHAA Cc1ccc2nc(CCCN[C@@H](C)CCn3ccnc3C)[nH]c2c1C 534653374 GZMDVXMBADCMII-HNNXBMFYSA-N 339.487 3.686 0 50 EHAA CCCn1c(C)nc2cc(NC(=O)[C@@H]3CCOC(C)(C)C3)ccc21 823024255 IMHYOGANIIGODU-CQSZACIVSA-N 329.444 3.898 0 50 EHAA O=C(Cc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1)NC1CC1 828140128 YIUPAZIRCYHBFO-UHFFFAOYSA-N 346.789 3.553 0 50 EHAA CN1C[C@H](C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)CCC1=O 827714518 RXBSHIPIDIJTPU-OAHLLOKOSA-N 342.826 3.814 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3[nH]c(C)nc3C)c2)cn1 584900604 VSUDTHKWGIMZME-CYBMUJFWSA-N 334.423 3.888 0 50 EHAA CC(C)c1cc(C(=O)Nc2ccc3cn(C(C)C)nc3c2)nn1C 408513389 SKYPTLWZLVLAMD-UHFFFAOYSA-N 325.416 3.726 0 50 EHAA Cn1cncc1[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2Cc2ccccc2)CCO1 275400033 CLRJBYOEJJFQLX-BNDYYXHWSA-N 339.483 3.641 0 50 EHAA COc1cccc(Cl)c1CN[C@@H](c1ccccc1)c1ncc[nH]1 188463130 IXOQCUHWNFFIOT-KRWDZBQOSA-N 327.815 3.951 0 50 EHAA Cc1cc(N2CC[C@H](OCc3ccncc3)C2)c2cc(F)ccc2n1 192907695 NDZUCVOCVBXUCS-KRWDZBQOSA-N 337.398 3.873 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)N1CCCN(C(=O)C2CCC2)CC1 1188717038 WBQYPIDXVNTQFP-UHFFFAOYSA-N 349.862 3.515 0 50 EHAA COC[C@H](c1ccccn1)N(C)Cc1cc(C2CCCCC2)no1 1506431543 OHQVZANEYMHASN-LJQANCHMSA-N 329.444 3.937 0 50 EHAA O=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)NCc1ncc[nH]1 12439331 VUWCSDJDQSPIIW-QGZVFWFLSA-N 339.826 3.902 0 50 EHAA CCn1ccnc1CN1CCC[C@@H](CCc2ccc(OC)cc2)C1 12445587 VDAGUOTXSRDZCI-SFHVURJKSA-N 327.472 3.756 0 50 EHAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCCC2)cc1 12904489 WMDHRTAQNLORRE-UHFFFAOYSA-N 342.826 3.757 0 50 EHAA O=C(C1=COCCC1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 162291442 NMIJGTREWIPNTO-SFHVURJKSA-N 343.448 3.505 0 50 EHAA CC[C@H](C)Cc1nc(-c2cccc(N3CCCC3=O)c2)n(CC)n1 1857677363 YKIQVKJZEQPUQX-AWEZNQCLSA-N 326.444 3.680 0 50 EHAA O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(Br)cc1 1597185 MFFKBANEBMPBIN-UHFFFAOYSA-N 347.617 3.870 0 50 EHAA Cc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccc(C)cc2)cc1 2527995 XNOJRWBFTJJQCC-UHFFFAOYSA-N 327.411 3.828 0 50 EHAA in-vitro COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@@H]2CCOC2)cc1 328587388 KYXOHIMXBUTKST-CRAIPNDOSA-N 339.435 3.918 0 50 EHAA Cc1nc(NC(=O)N(C)[C@H](C)c2ccccn2)ccc1Br 128445511 BVTWVCNJVSGTBG-LLVKDONJSA-N 349.232 3.772 0 50 EHAA CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1c[nH]nc1C 162279573 QWVQMFIICMFPHW-UHFFFAOYSA-N 345.834 3.834 0 50 EHAA CCC1(CC)CN(C(=O)[C@H](O)c2cccc(OC)c2)c2ccccc21 857476226 VSERPFZVMHIKRW-LJQANCHMSA-N 339.435 3.833 0 50 EHAA Cc1ccc(O)c(NC(=S)NC(=O)c2cc3ccccc3o2)c1 355413 OLXRLSKPTBZUHX-UHFFFAOYSA-N 326.377 3.574 0 50 EHAA C[C@H](NC(=O)[C@]12CCCC[C@H]1CC(F)(F)C2)C1(O)CCCCC1 2325790168 VQRYJZORHPVGRX-DZKIICNBSA-N 329.431 3.792 0 50 EHAA CC(C)(C)c1ccc(COC(=O)c2ccn(-c3cccnc3)n2)cc1 2325855103 IALFEXPVULOFME-UHFFFAOYSA-N 335.407 3.922 0 50 EHAA CCc1ccc(S(=O)(=O)N[C@H](C)Cc2ccc(Cl)s2)s1 2325869945 CGMIQFCVWNMBOX-SECBINFHSA-N 349.930 3.935 0 50 EHAA COC(=O)c1cccc(NC(=O)CSc2ccc(C)cc2)c1C 609308 IRWKHQUNTUJYEI-UHFFFAOYSA-N 329.421 3.821 0 50 EHAA CCC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1 859138 DNEDACHRXDBZND-UHFFFAOYSA-N 346.452 3.761 0 50 EHAA CC(C)N1CCC[C@@]2(CCCN2Cc2ccc(F)cc2Cl)C1=O 2356138826 QSHNAVDKZNTREC-SFHVURJKSA-N 338.854 3.845 0 50 EHAA CCn1nc(C2CCOCC2)nc1-c1ccc2cccc(F)c2n1 2356168534 HRBUJOCXRQQUQW-UHFFFAOYSA-N 326.375 3.546 0 50 EHAA COc1ccc(Nc2nc3ccccc3n3cnnc23)cc1Cl 4823160 LIUNQPQMWUFIQW-UHFFFAOYSA-N 325.759 3.683 0 50 EHAA Cc1cccc(C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)c1 4832995 XAOXZQGTWXNDAZ-UHFFFAOYSA-N 334.375 3.770 0 50 EHAA Cc1ccc(Cl)c(OCCCn2cnc3ccccc3c2=O)c1 6686550 XWZMDYRRXHVYJG-UHFFFAOYSA-N 328.799 3.827 0 50 EHAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(F)c1 6697888 BSINLZINCGNRGA-UHFFFAOYSA-N 325.343 3.538 0 50 EHAA O[C@@H]([C@@H]1CCCN1Cc1ccccc1C(F)(F)F)C(F)(F)F 109756434 QPBVHRXKGVFFNT-RYUDHWBXSA-N 327.268 3.593 0 50 EHAA CCOCCOc1ccccc1NC(=O)COc1ccc(Cl)cc1 10506408 CDNZKLKCHTUCNK-UHFFFAOYSA-N 349.814 3.773 0 50 EHAA COCCN(Cc1cccs1)Cc1ccc(-c2cc[nH]n2)s1 55253897 IWQVZNXCQLTZCL-UHFFFAOYSA-N 333.482 3.848 0 50 EHAA CC(C)(CNC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1cccs1 114604784 HQNRXXBOCYDFOK-MRXNPFEDSA-N 343.496 3.922 0 50 EHAA CN(Cc1ccc2cccc(O)c2n1)Cc1c[nH]nc1-c1ccccc1 67817336 LUTKAVWIOPRDEK-UHFFFAOYSA-N 344.418 3.963 0 50 EHAA COc1cc2c(cc1-c1nccn1CCn1nc(C)cc1C)CCC2 67539905 LDOLQADZBWHEOL-UHFFFAOYSA-N 336.439 3.561 0 50 EHAA O=C(c1cccs1)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280245097 YEWGGPBIMZTDOF-GWCFXTLKSA-N 341.354 3.715 0 50 EHAA Cc1cccc(-c2c[nH]nc2C2CCN(C[C@H]3CCOC3)CC2)c1 67694864 RNZKMMRPVHSDSI-MRXNPFEDSA-N 325.456 3.601 0 50 EHAA COCCC[C@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 72435768 JMNJLNRQZDXCFZ-GOSISDBHSA-N 347.499 3.669 0 50 EHAA Cc1ncsc1CN(C)C(=O)NCCCc1cccc(Cl)c1 171760615 BSARLBWPPCSUIE-UHFFFAOYSA-N 337.876 3.879 0 50 EHAA COc1ccc2cc([C@@H]3CN(c4ncccc4F)CCO3)ccc2c1 71774580 AUXKYPQGGXDCND-IBGZPJMESA-N 338.382 3.960 0 50 EHAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cc(C(F)(F)F)n(C)n1 36620594 IQMQAJMGGVNLLN-CQSZACIVSA-N 337.345 3.725 0 50 EHAA CC(C)=CCN1CCCC[C@H]1C(=O)Nc1ccc(-n2cccn2)cc1 14975134 FPDOXDRFJUBVSM-IBGZPJMESA-N 338.455 3.632 0 50 EHAA Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@@H]2c2ccc[nH]2)c1C 125785496 RXOJAGVGDGOZCZ-IEBWSBKVSA-N 328.456 3.517 0 50 EHAA CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CN)cc1 34760807 KHBAZSBJXFMJSA-UHFFFAOYSA-N 341.411 3.745 0 50 EHAA CSc1ccccc1[C@@H](C)NC(=O)NCc1ccc(CO)c(F)c1 239869330 CYHRLULSTXXYHT-GFCCVEGCSA-N 348.443 3.600 0 50 EHAA COc1ccc2c(c1)[C@@H](C)N(C(=O)c1csc(SC)n1)CC2 426403777 UHLSPSGCVRYMLF-SNVBAGLBSA-N 334.466 3.633 0 50 EHAA CC[C@H](SC)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 178577686 VYYWOSPQMOZRJO-JTQLQIEISA-N 345.346 3.836 0 50 EHAA Cc1c(CNC(=O)[C@@H](C)n2ccnc2C(C)C)oc2ccccc12 95531657 VYVWEOAWKOIISE-CQSZACIVSA-N 325.412 3.939 0 50 EHAA COc1nc2ccccc2cc1-c1c[nH]c(C(=O)N2CCCCC2)c1 96165223 XGOIFYRFBSWRRL-UHFFFAOYSA-N 335.407 3.865 0 50 EHAA COC[C@H](c1ccccn1)N(C)Cc1nc(C)cc(-c2ccccc2)n1 244882474 XSKZTSKKRYARTC-HXUWFJFHSA-N 348.450 3.667 0 50 EHAA O=C(O)[C@@H]1CCCN1Cc1ccc(Oc2ccccc2F)c(F)c1 299746226 VWSXUJUSWKJLKP-HNNXBMFYSA-N 333.334 3.806 0 50 EHAA Cc1cc(C(=O)N2CCC3(CC2)OCCc2ccsc23)ccc1F 352173870 HLGQGCFFVYDDMH-UHFFFAOYSA-N 345.439 3.900 0 50 EHAA Cc1ccc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)cc1C 263617581 OOPVFRDKRBOZOY-UHFFFAOYSA-N 329.403 3.828 0 50 EHAA COc1ccc(Cn2c(=O)ccc3cc(Br)ccc32)cc1 117982666 LBXRCDQFPJSLLO-UHFFFAOYSA-N 344.208 3.821 0 50 EHAA Cc1nc2ccc(NC(=O)c3cc4ccccc4c(=O)s3)cc2[nH]1 825106337 UYHJPEVXCMYVGN-UHFFFAOYSA-N 335.388 3.699 0 50 EHAA Nc1nc(CCNC(=O)c2ccc(-c3cccc(F)c3)cc2)cs1 826618783 ANXBNARSQCTHMW-UHFFFAOYSA-N 341.411 3.504 0 50 EHAA CCc1ncoc1C(=O)Nc1c(-c2cccc(F)c2)n[nH]c1C1CC1 1336519886 HKHZAJDRHHDPNV-UHFFFAOYSA-N 340.358 3.896 0 50 EHAA Cc1ccccc1N1CCC(NCCCn2ccnc2C(C)C)CC1 952976425 WIVSEHKDWYUISZ-UHFFFAOYSA-N 340.515 3.964 0 50 EHAA Cc1cc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc(C)c1Br 101510266 QABXOPSAHXPLOQ-CHWSQXEVSA-N 334.213 3.522 0 50 EHAA Cc1ccccc1[C@@H](O)CNC1CCN(c2ccc(F)cc2C)CC1 1506405902 IJUOWPZAYMQMAT-NRFANRHFSA-N 342.458 3.735 0 50 EHAA COc1ccc(NC(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)c(C)c1 1704359781 XUCMXSNBHUCMOO-IEBWSBKVSA-N 332.444 3.817 0 50 EHAA CC[C@H](Nc1cncc(C(=O)N2CCCC2)n1)c1ccc(C)c(C)c1 1704339416 FMHCXGXMWZCPMK-KRWDZBQOSA-N 338.455 3.893 0 50 EHAA CCCN1CCC(NC(=O)Nc2cccc(Cl)c2Cl)CC1 5061100 VOKMFEIZQLHGOK-UHFFFAOYSA-N 330.259 3.989 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)NCc1ccccc1 5063575 FYEKBVDGRTWTGQ-UHFFFAOYSA-N 342.508 3.784 0 50 EHAA COc1ccc(CCN2CCC[C@@H](CN(C)CC=C(C)C)C2)cc1 11842064 TYMXQFRNZYRIFK-FQEVSTJZSA-N 330.516 3.848 0 50 EHAA Cc1cnc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1 12459816 QHNDVGPRIVRVBA-AWEZNQCLSA-N 345.393 3.548 0 50 EHAA Cc1ccnc2c(N3C(=O)[C@H]4CC=C(Cl)C[C@@H]4C3=O)cccc12 18181576 ZJJOAPCYMNANPF-KBPBESRZSA-N 326.783 3.565 0 50 EHAA O=C(CC[C@H]1CCCCO1)N1CCCc2cc(OC(F)F)ccc21 110244480 LAHWGFPWHFNABD-CQSZACIVSA-N 339.382 3.917 0 50 EHAA CC(C)(C)N(Cc1ccccn1)C(=O)c1ccc(OC(F)F)nc1 904792379 SULNJNJBDBNXMV-UHFFFAOYSA-N 335.354 3.519 0 50 EHAA O=C(O)c1ccc(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2F)cc1 911546646 VJKMAOONGLQVHP-QGZVFWFLSA-N 345.345 3.569 0 50 EHAA CCc1nc(NC(=O)c2cncc(C(=O)O)c2C)sc1C(C)(C)C 1875277936 OIXJFSGTJMMSTL-UHFFFAOYSA-N 347.440 3.657 0 50 EHAA Cc1cccc(Oc2ccc(C(=O)N3CCCn4nc(C)cc43)nc2)c1 1875274650 PRSSZOFTYDRFLT-UHFFFAOYSA-N 348.406 3.738 0 50 EHAA CN1CCc2ccccc2[C@@H]1CNC(=O)c1ccc(Cl)c(Cl)c1 1772644336 LIYLICKKTYEDQP-KRWDZBQOSA-N 349.261 3.952 0 50 EHAA in-vitro COc1ccc([C@H]2OC(=O)C3(CCCCC3)C(=O)C2(C)C)cc1OC 88981 KJUPAGCZUPBSBZ-MRXNPFEDSA-N 346.423 3.848 0 50 EHAA CC(C)c1ccc(NC(=O)NC[C@@H]2CC[C@]3(CCCOC3)O2)cc1 2325775730 MRXOKGKMTMUCDA-HKUYNNGSSA-N 332.444 3.660 0 50 EHAA O=C(CCc1ncc[nH]1)N1Cc2ccccc2[C@H](c2cccs2)C1 2325792780 LRYUMRUAVIFNEE-MRXNPFEDSA-N 337.448 3.578 0 50 EHAA Cc1cc(NC(=O)c2coc3ccccc23)ccc1N1C(=O)CCC1=O 113056207 DEHKOQKWRVBTGP-UHFFFAOYSA-N 348.358 3.647 0 50 EHAA Cc1ccnc(NC(=O)c2ccc(C(=O)Nc3cc(C)ccn3)cc2)c1 29130 ANOFQPHRTZIDQK-UHFFFAOYSA-N 346.390 3.598 0 50 EHAA CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 528398 MZHHQHDJNHIRME-UHFFFAOYSA-N 343.858 3.734 0 50 EHAA O=C(OCCC1=CC=CC=CC=C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4567279 BQPZZHOOQXMAIK-UHFFFAOYSA-N 342.307 3.659 0 50 EHAA Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](C)c1cccc(O)c1)CCC2 112457852 HTDLXSBJVDKNOI-MEDUHNTESA-N 345.468 3.937 0 50 EHAA c1ccc(-c2ncn(CCCNc3cccnc3)c2[C@H]2CCOC2)cc1 65534849 GZHGDYHDOVSDDI-SFHVURJKSA-N 348.450 3.951 0 50 EHAA CCn1ncc(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1C 67805021 ZZJQBJCMYNBGQF-FCHUYYIVSA-N 349.478 3.715 0 50 EHAA Cc1ccc2nc([C@@H]3CCCN3Cc3nnc(C(C)C)o3)[nH]c2c1 72146487 IZKSVAPUEHDWON-HNNXBMFYSA-N 325.416 3.715 0 50 EHAA CN(C)CC[C@H]1CCCCN1Cc1cnc(-c2cccs2)nc1 72425787 AUGCQIVGIUJEOM-MRXNPFEDSA-N 330.501 3.511 0 50 EHAA Cc1c(C(=O)N2CCO[C@@H](C(F)(F)F)C2)[nH]c2ccc(Cl)cc12 71748193 SDKMEBXZCPGWAF-GFCCVEGCSA-N 346.736 3.533 0 50 EHAA Cc1c(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)oc2ccc(F)cc12 333091341 OHJMYBAPPBAZRU-MRXNPFEDSA-N 341.386 3.837 0 50 EHAA COc1cc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)ccc1O 71281302 WVNRFUPSFWGPAJ-ZDUSSCGKSA-N 327.384 3.836 0 50 EHAA C[C@H]1CCN(C(=O)Nc2nc(C3CCC3)cs2)C[C@@H]1n1ccnc1 283105984 WXTWLVROSPRQKH-WFASDCNBSA-N 345.472 3.722 0 50 EHAA Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)C2)no1 241465976 NTQULSJETKHAGH-XLAORIBOSA-N 345.487 3.766 0 50 EHAA COc1cccc(C2CCN(C(=O)c3cccc4[nH]cnc34)CC2)c1 241869012 STSUWRNRQYFTSN-UHFFFAOYSA-N 335.407 3.591 0 50 EHAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 174852468 RCNGTAFXUDLHFY-YLJYHZDGSA-N 334.419 3.896 0 50 EHAA Cc1cccc2sc(NC(=O)CC3(CC(=O)O)CCCC3)nc12 17068367 DVOLIZWSCVJKSO-UHFFFAOYSA-N 332.425 3.968 0 50 EHAA CCc1ccc(C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)[nH]1 426632891 OUEPQAWKNNXOJQ-UHFFFAOYSA-N 340.402 3.612 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)NCc1cnn(Cc2ccccc2)c1 91656066 ZNGLWOPHVHLEGX-FQEVSTJZSA-N 345.446 3.668 0 50 EHAA CN1CCCC[C@@H]1C(=O)NCCCSCc1ccccc1Cl 97637917 JBNKCKHKUOHWQR-MRXNPFEDSA-N 340.920 3.564 0 50 EHAA CC(C)Cc1ncc2c(n1)CN(C(=O)C[C@@H]1CCc3ccccc31)C2 91505793 FDRXETSJXAZFOT-INIZCTEOSA-N 335.451 3.637 0 50 EHAA Cc1c(F)cccc1NC(=O)CN1CCCC[C@H]1c1ccccn1 244584356 CXRHDSJEXRXQRP-SFHVURJKSA-N 327.403 3.695 0 50 EHAA COc1cc(CNc2nnc(CC3CCCCC3)o2)cc(OC)c1 181971468 LCNQPPHRBZIXOY-UHFFFAOYSA-N 331.416 3.822 0 50 EHAA Cc1noc(C)c1CCc1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 299751274 QDOBQAZAUWZDQB-FUHWJXTLSA-N 339.395 3.705 0 50 EHAA CC(C)Cc1cc(CNC(=O)c2ccc([C@@H]3CCCO3)s2)on1 670464598 PMHCVHOPOSPJQY-AWEZNQCLSA-N 334.441 3.716 0 50 EHAA CCOc1cc(Br)ccc1C(=O)NC1CCCCC1 65337442 FFYXCPSJGXPOGV-UHFFFAOYSA-N 326.234 3.910 0 50 EHAA in-vitro CCCc1cc(CNCc2cccc(OCc3ccccn3)c2)on1 952965428 HDHAPRZCBOHZFB-UHFFFAOYSA-N 337.423 3.891 0 50 EHAA Brc1cccc(CN2CCN(c3ccccc3)CC2)c1 55543401 IBOJYAHHQFJTCO-UHFFFAOYSA-N 331.257 3.771 0 50 EHAA C[C@H](NC(=O)c1onc2c1CCCC2)c1ncc(-c2ccccc2)o1 669043035 RQAJYRKXYGPGQX-LBPRGKRZSA-N 337.379 3.699 0 50 EHAA Cc1nccnc1[C@H](C)NCC1(c2ccc(Cl)cc2)CCOCC1 187870082 XZRALEUPZDEYTE-HNNXBMFYSA-N 345.874 3.837 0 50 EHAA Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3OCCc4ccccc43)c2C)o1 192471622 IQUXAXLQWAFYRH-QGZVFWFLSA-N 337.379 3.539 0 50 EHAA O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)[C@@H](O)c1ccccc1 768640778 QQKMBAWHQJGYKH-LEWJYISDSA-N 346.382 3.887 0 50 EHAA CCO[C@H](C)c1ccc(-c2ccc3ncnc(NCCO)c3c2)cc1 1506425203 OEBZLOJAJZUCSA-CQSZACIVSA-N 337.423 3.799 0 50 EHAA O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H](C2(O)CC2)C1 1772809933 AGDFORVTVLWDCJ-IBGZPJMESA-N 335.447 3.582 0 50 EHAA CCN1CCN(c2c(Cl)cccc2NC(=O)c2cccs2)CC1 5027978 JDUCMBYBGXMHJY-UHFFFAOYSA-N 349.887 3.796 0 50 EHAA CC(C)c1ccccc1O[C@H](C)C(=O)NC1CCN(C(C)C)CC1 12383116 NCEXPFONTQIDNO-MRXNPFEDSA-N 332.488 3.566 0 50 EHAA C[C@@H](NC(=O)[C@H]1CC(Cc2ccccc2)=NO1)c1ccccc1Cl 14994610 BEJODHWYWYMKAP-FZKQIMNGSA-N 342.826 3.905 0 50 EHAA Cc1ccc(OCc2nnc(NC(=O)c3ccccc3)s2)cc1C 15724113 TWIGQODUHIOOPA-UHFFFAOYSA-N 339.420 3.986 0 50 EHAA C[C@@H]1C[C@@H](OC[C@@H](O)CN2CCc3ccccc3C2)CC(C)(C)C1 15724562 QUUUPSHLTILKRI-LSTHTHJFSA-N 331.500 3.637 0 50 EHAA CCSc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 19849979 QLXNDGAQXJRZPO-UHFFFAOYSA-N 340.492 3.757 0 50 EHAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(C)(C)Cc1ccccc1 117793030 GBXOJAWOGBDFDV-SFHVURJKSA-N 339.483 3.969 0 50 EHAA COc1cccc(-c2nsc(NC(=O)c3ccc(F)cc3C)n2)c1 123799411 IKEXASJSIOWNHG-UHFFFAOYSA-N 343.383 3.914 0 50 EHAA CNc1cccc(-c2cn(C[C@H]3CCCC34CCOCC4)nn2)c1 1875282806 STTAPBNTOWHJIK-MRXNPFEDSA-N 326.444 3.584 0 50 EHAA COc1ccc2c(c1)CC[C@H]1[C@H]2OCCN1C(=O)C1(F)CCCCC1 1875326899 KBYQOUWHBRWERL-ROUUACIJSA-N 347.430 3.582 0 50 EHAA Cc1nnc2ccc(C(=O)N3CC=C(c4ccccc4)C3)cc2c1C 1875340858 VRLIEZFDNJICBR-UHFFFAOYSA-N 329.403 3.786 0 50 EHAA CC1(C)CCN(C(=O)c2ncn(C(C)(C)C)n2)C[C@@H]1c1ccccc1 887579460 SNCXMNOWJNTDOQ-MRXNPFEDSA-N 340.471 3.689 0 50 EHAA CC[C@H](O)c1nc2ccccc2n1CCCOc1ccccc1OC 8843357 MNRGDDLXTIJMQR-KRWDZBQOSA-N 340.423 3.957 0 50 EHAA Cc1cc(N2CC[C@H](c3nc(C)cs3)C2)nc(-c2ccncc2)n1 872735291 ZCKXFFLBWZUUCG-HNNXBMFYSA-N 337.452 3.606 0 50 EHAA COc1cc(SC)ccc1C(=O)Nc1ccc(N(C)C(C)=O)cc1 31754 BOMLQJJXSNBALV-UHFFFAOYSA-N 344.436 3.652 0 50 EHAA O=C(Nc1ccc(Cc2ccc(NC(=O)C3CC3)cc2)cc1)C1CC1 35345 FZXIZSVZOKNDMJ-UHFFFAOYSA-N 334.419 3.974 0 50 EHAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)NCc1ccc2c(c1)OCO2 351879 IWSJHAZYDPEJJX-YGRLFVJLSA-N 342.222 3.623 0 50 EHAA O=C(NC[C@H]1CCCO1)c1ccc(COc2ccc(Cl)cc2)cc1 472083 KCNPKHXRTXOJDY-GOSISDBHSA-N 345.826 3.828 0 50 EHAA COc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccco1 2825844 QSUUSQSVZORRJM-UHFFFAOYSA-N 342.376 3.854 0 50 EHAA CC(C)c1ncncc1C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 411070857 SHEVEBJLWCZASC-KRWDZBQOSA-N 349.438 3.844 0 50 EHAA CC1=CC[C@@H]2C(=O)N(c3ccc(Br)cc3C)C(=O)[C@@H]2C1 101482425 YXSAFFXYMGIBBR-QWHCGFSZSA-N 334.213 3.603 0 50 EHAA CC(=O)N[C@H]1C[C@@H](c2[nH]nc(C)c2Cl)O[C@@H](C2CCCCC2)C1 67871936 SQIVKVVYLZIGTJ-KFWWJZLASA-N 339.867 3.677 0 50 EHAA Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(F)cc2)c1 20279706 UMWGSFRFZIKYIV-SFHVURJKSA-N 340.398 3.686 0 50 EHAA O=C(O)[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 151344 ZPSCGBCFUMEHEO-CYBMUJFWSA-N 347.296 3.886 0 50 EHAA CC(=O)c1cn(CC(=O)NCc2ccc(Cl)cc2)c2ccccc12 32072109 ZUSNABWMSONIFZ-UHFFFAOYSA-N 340.810 3.814 0 50 EHAA O=C(Nc1ccccc1Oc1ccccc1)N1CCN2CCC[C@H]2C1 171886488 AIWZCMBTNDGEPZ-INIZCTEOSA-N 337.423 3.791 0 50 EHAA CC(=O)[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCc3nc(C)sc32)C1(C)C 153267858 FJGJMLSWSZWXNK-GZBFAFLISA-N 334.485 3.539 0 50 EHAA CCCNc1ncc(CN2CCCC[C@H]2c2nc(C(C)C)no2)cn1 216330035 AUJOQPZDPDLYST-HNNXBMFYSA-N 344.463 3.532 0 50 EHAA CCCc1nc(C(=O)N2CCN(c3ccccc3C)C[C@@H]2C)cs1 77355533 OQNFABXHZGNZMB-HNNXBMFYSA-N 343.496 3.755 0 50 EHAA Cc1ccc(C2(c3noc(Cn4cnc(C5CC5)n4)n3)CCCC2)cc1 72150998 JCAAHTQCEQTKBE-UHFFFAOYSA-N 349.438 3.755 0 50 EHAA O=C(Cc1ccsc1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 77424046 UWXPKOYBYLWBKX-OAHLLOKOSA-N 339.420 3.704 0 50 EHAA C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)[C@@H]1C[C@H]1c1ccccc1 241644255 PPOCVNLBPKXWPS-ZOCIIQOWSA-N 329.465 3.639 0 50 EHAA O=C(c1coc(-c2ccccc2)n1)N1CCOC[C@H]1c1ccccc1 374107148 LSBANZJLGZZMJP-SFHVURJKSA-N 334.375 3.555 0 50 EHAA FC(F)Oc1ccccc1CN(Cc1ccncc1)C[C@@H]1CCCO1 215817481 YLNZHXREXDRGQP-KRWDZBQOSA-N 348.393 3.864 0 50 EHAA CCc1nccn1CCC(=O)N1CCCC[C@H]1c1ccc(F)cc1 77341110 JSOOUJXZQFZIOV-KRWDZBQOSA-N 329.419 3.729 0 50 EHAA CC(C)OCCCNC(=O)c1cccc(-c2cccc([C@@H](C)O)c2)c1 426359065 NHBWVBKSPKEVLF-MRXNPFEDSA-N 341.451 3.952 0 50 EHAA Cn1ccc2cc(-c3ccc(C(=O)NCCCCCO)cc3)ccc21 426403430 BWGISRWDMFHVEM-UHFFFAOYSA-N 336.435 3.738 0 50 EHAA Cc1ccc(-c2ccc(C(=O)N3CC[C@H](CN)C3)c(F)c2)cc1C 178552821 YIRBFGWLHJZFIX-OAHLLOKOSA-N 326.415 3.530 0 50 EHAA CC(C)c1noc(Cn2nc(-c3ccccc3)c3ccccc3c2=O)n1 95389333 RDGOQQWCNDWYIZ-UHFFFAOYSA-N 346.390 3.618 0 50 EHAA COc1cccc([C@@H]2CCN2C(=O)c2cnn(Cc3ccccc3)c2)c1 97823529 YDUKHJMXUROCQY-FQEVSTJZSA-N 347.418 3.527 0 50 EHAA CCCCOC(=O)c1ccc(Nc2nc(Cl)nc3[nH]cnc23)cc1 143661848 LBNYFWLDNPTHOD-UHFFFAOYSA-N 345.790 3.707 0 50 EHAA CCN(CC1CCOCC1)C(=O)Nc1ccnn1CC1CCCCC1 95512353 SSIVZNYUJGEUAA-UHFFFAOYSA-N 348.491 3.744 0 50 EHAA CCc1cccc(C)c1NC(=O)CCN(C)Cc1csc(C)n1 244853053 VEJIPDYCFMKRHP-UHFFFAOYSA-N 331.485 3.783 0 50 EHAA CCc1cc2c(CN[C@H](C)c3cccc(O)c3)cc(=O)oc2cc1O 181534695 LGEPOISKWPVUDV-GFCCVEGCSA-N 339.391 3.617 0 50 EHAA CC(C)c1nc(C(=O)N(C)Cc2n[nH]c3c2CCCCC3)cs1 252509428 YNRSICHOWUJASM-UHFFFAOYSA-N 332.473 3.531 0 50 EHAA Cc1nn(C(C)C)c(C)c1CNC(=O)CCCC(=O)c1ccccc1 299758230 PTHVRYHSEPBNNB-UHFFFAOYSA-N 341.455 3.750 0 50 EHAA CC(C)n1ccc2c(C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)cccc21 952963400 QVKFYIDSFLTJFT-SHTZXODSSA-N 342.439 3.843 0 50 EHAA C[C@@H]1CN(c2nc(C(F)F)nc3ccc(Cl)cc23)CCCO1 408521048 GEFSMPYGTRPXSL-SECBINFHSA-N 327.762 3.836 0 50 EHAA Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@H]1CCO[C@H]1C1CC1 390832950 CWZLBUZTPNEZFE-HKUYNNGSSA-N 337.423 3.746 0 50 EHAA CCc1cc(N2CC[C@H](c3ccc4cccnc4n3)C2)nc(CC)n1 895001120 XSACXTAFVGCFQD-HNNXBMFYSA-N 333.439 3.539 0 50 EHAA c1ccc2[nH]c([C@@H]3CCCCN3c3cc(-n4ccnc4)ncn3)cc2c1 170664988 OZBQMZGDQVOFOJ-SFHVURJKSA-N 344.422 3.875 0 50 EHAA CCNc1ccc(Cl)cc1C(=O)N1CCC(Cn2cccn2)CC1 192371826 CMCLLRJYEOSYKC-UHFFFAOYSA-N 346.862 3.521 0 50 EHAA COc1ccc(OC)c(CN(C(=O)CCSC)C2CCCC2)c1 1506425357 AJQIJUFGSHUMTA-UHFFFAOYSA-N 337.485 3.728 0 50 EHAA CC1=CC(C)(C)N2C(=O)[C@@](O)([C@@H]3CCCCCC3=O)c3cccc1c32 1740816873 YQSVFYREPRJDMI-QVKFZJNVSA-N 339.435 3.566 0 50 EHAA O=C(CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)N1CCCO1 11812934 ITSWGQQZSZTKNJ-UHFFFAOYSA-N 349.390 3.500 0 50 EHAA O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN1CC1CC1 11820594 CESJQVQRNHMGJT-GOSISDBHSA-N 337.423 3.687 0 50 EHAA COc1ccccc1-c1cccc(-c2ccn(Cc3noc(C)n3)n2)c1 19745603 UYOLCZCYBVSELW-UHFFFAOYSA-N 346.390 3.965 0 50 EHAA c1ccc(-n2ccnc2-c2cnsc2)c(OC[C@@H]2CCCO2)c1 1857702195 DEVXEJGJBAHSNS-AWEZNQCLSA-N 327.409 3.554 0 50 EHAA CC(C)c1nc(-c2nccn2C[C@H]2COc3ccccc3O2)co1 1857704233 JPANNOFLELUKHC-ZDUSSCGKSA-N 325.368 3.502 0 50 EHAA Cc1cc(-c2noc(CN3CCCc4occc4C3)n2)ccc1F 329591907 ZBXWIXCMBVKZNW-UHFFFAOYSA-N 327.359 3.726 0 50 EHAA Cc1cc(NC(=O)N2CCC(CCc3ccccc3)CC2)nn1C 122604920 PIZNTFOBSFPSRV-UHFFFAOYSA-N 326.444 3.605 0 50 EHAA COc1cccc([C@@H]2CCCN2c2nnc(-c3ccccn3)s2)c1 225563479 IPKIUKHWDNRAEK-INIZCTEOSA-N 338.436 3.950 0 50 EHAA C[C@@H]1[C@@H](NC(=O)c2cccc(Cl)c2)CCCN1Cc1cccnc1 1875302975 PSOIFEKKQMCOCM-KDOFPFPSSA-N 343.858 3.518 0 50 EHAA CC1(C)CCc2nc(-c3nc([C@@H](N)c4ccccc4)no3)ccc2C1 2325806834 JSXZPVYEFYXDHY-KRWDZBQOSA-N 334.423 3.695 0 50 EHAA CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 116231803 JKKRYYTVQXUOKL-UHFFFAOYSA-N 339.370 3.979 0 50 EHAA CC1=C(C(=O)OCCC(C)C)[C@H](c2ccc(Cl)cc2)NC(=O)N1 44062 PGBLGNPEGKXQIB-HNNXBMFYSA-N 336.819 3.557 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)c(Br)c1 130468 GXKIORLQMXWUCD-HNNXBMFYSA-N 348.196 3.536 0 50 EHAA CCc1c(C)sc(NC(=O)[C@H](CC)c2ccccc2)c1C(N)=O 433728 PAIFKTXNBCUPSK-CQSZACIVSA-N 330.453 3.850 0 50 EHAA O=S(=O)(Nc1ccccn1)c1ccc(Cl)c(Cl)c1Cl 452090 PIWBJNJGBLRETH-UHFFFAOYSA-N 337.615 3.843 0 50 EHAA CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 2058678 HGSRFHZRKJVQAW-OAHLLOKOSA-N 336.819 3.653 0 50 EHAA Cc1ccoc1C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1 2532384 ZXRUTWUSBSDOCM-UHFFFAOYSA-N 328.315 3.734 0 50 EHAA COc1ccc(Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)cc1 4413277 VCVGMKODPRMVJK-LBPRGKRZSA-N 335.363 3.735 0 50 EHAA CSc1cccc(NC(=O)c2ccc(-n3cnnc3)cc2Cl)c1 6701752 KRVMUBVHNMZFIO-UHFFFAOYSA-N 344.827 3.895 0 50 EHAA COC(=O)c1c(C)[nH]c(-c2csc(-c3ccccc3O)n2)c1C 109346605 KYYVVQGPTVEJTL-UHFFFAOYSA-N 328.393 3.914 0 50 EHAA COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 10301932 ZGCQSNDZNIHSOV-UHFFFAOYSA-N 329.780 3.597 0 50 EHAA O=C1CN(C2CCCC2)C(=O)N1Cc1ccc(Cl)cc1Cl 113008493 IZSRJUYJCPOZQC-UHFFFAOYSA-N 327.211 3.700 0 50 EHAA CCCCC(=O)Nc1ccc(C(=O)N(CC)Cc2ccncc2)cc1 55576421 LNBXZAPDYZCJOJ-UHFFFAOYSA-N 339.439 3.873 0 50 EHAA COC[C@@H](c1ccccn1)N(C)C(=O)CC12CC3CC(CC(C3)C1)C2 55405082 MGBCOHBIQIZMTI-ILCGBQQYSA-N 342.483 3.834 0 50 EHAA Cc1cccnc1C[C@@H](C)N(C)C(=O)c1ccc([C@@H]2CCCN2)s1 20149323 NMCIFNLODLKHFE-CABCVRRESA-N 343.496 3.579 0 50 EHAA CCc1n[nH]c2c1CN(Cc1ccc(-c3ccc(OC)cc3)o1)CC2 23430219 YEEWKBIHGLRIQP-UHFFFAOYSA-N 337.423 3.799 0 50 EHAA CCOc1ccc(C(=O)NCc2ccccc2-n2ccnc2C)cc1 65740046 CIRRPFMSLGVSAE-UHFFFAOYSA-N 335.407 3.509 0 50 EHAA CC(=O)N1CCCC[C@H]1C1=CCCN(Cc2cc(F)ccc2C)C1 65470468 UWAQMKBGLBSQGH-FQEVSTJZSA-N 330.447 3.667 0 50 EHAA C[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O 1539116 NUQZXROIVGBRGR-SNVBAGLBSA-N 344.754 3.927 0 50 EHAA biogenic,in-vitro Cc1cc([C@@H]2CCCCN2Cc2cc3ccccc3n(C)c2=O)no1 215460524 BJFAZSYANWXIQH-IBGZPJMESA-N 337.423 3.562 0 50 EHAA CCCCNC(=S)Nc1c(C)nn(Cc2ccccc2C)c1C 2793850 NRENRFXMAYZLCS-UHFFFAOYSA-N 330.501 3.943 0 50 EHAA O=C(Nc1ccccc1C(F)(F)F)c1nn2cccnc2c1Cl 2793812 PGPVWZSARJBXPN-UHFFFAOYSA-N 340.692 3.654 0 50 EHAA Cc1ccccc1Cn1cnc(NC(=O)c2ccc(Cl)cc2)n1 2797948 HOHKYXNUMNIJMW-UHFFFAOYSA-N 326.787 3.541 0 50 EHAA CC(C)c1nc2n(n1)C[C@H](N[C@H]1C[C@H](c3ccccc3)C1(C)C)CC2 123501650 SAHDQMYOYITBSI-KURKYZTESA-N 338.499 3.888 0 50 EHAA Fc1ccc(-c2cnn3c(-c4ccc5c(c4)OCO5)ccnc23)cc1 71385404 GRRLOFWYHVFABE-UHFFFAOYSA-N 333.322 3.931 0 50 EHAA Cc1ccc(OC(F)F)c(CNC[C@@H](O)c2ccc(F)cc2F)c1 253404245 HUZLIYATALGNAC-OAHLLOKOSA-N 343.320 3.698 0 50 EHAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3ncc(F)cc3F)C2)cc1 77427705 SHFCMSWXUPFVCY-AWEZNQCLSA-N 346.377 3.599 0 50 EHAA COC[C@H]1CCC[C@H]1Nc1cc(-c2ccccc2F)nc2ccnn12 72165334 MCPWZXAKQXNJFB-CZUORRHYSA-N 340.402 3.762 0 50 EHAA CC(C)c1oc([C@@H]2CCCN2C(=O)C[C@@H](C)N)nc1-c1ccccc1 261887115 SNROWYIXHAYFQT-ZBFHGGJFSA-N 341.455 3.866 0 50 EHAA O=C(N=c1cc[nH][nH]1)Nc1ccc(Cc2nc3ccccc3s2)cc1 494189312 QOINUAMLEBVPFY-UHFFFAOYSA-N 349.419 3.676 0 50 EHAA O=C(N[C@H]1CSc2ccccc21)c1c[nH]nc1-c1ccsc1 444034711 IJJIMDRGSRQPTB-ZDUSSCGKSA-N 327.434 3.715 0 50 EHAA C[C@H]1CN(c2ccc(CN[C@H]3CCCc4sccc43)cn2)CCO1 240444186 FWLJBSGNLQZFNG-YOEHRIQHSA-N 343.496 3.535 0 50 EHAA C[C@]1(CNC(=O)c2csc(-c3ccc(Cl)s3)n2)CCCO1 446301862 FLBXYRUXHSBWMM-CQSZACIVSA-N 342.873 3.824 0 50 EHAA COc1ccc([C@@H](C)N(C)C(=O)c2sc(C)cc2OC)c(OC)c1 215806751 ARWAFAKXSMOMGJ-GFCCVEGCSA-N 349.452 3.916 0 50 EHAA C[C@@H]1C[C@H](N)CCN1C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 237412888 GKMISEYKBZRDSK-BXUZGUMPSA-N 343.858 3.717 0 50 EHAA CC[C@H](NC(=O)c1cccc(-c2cccc(F)c2)c1)[C@H]1C[C@H](O)C1 223476984 GZLIFFUVNAUVPC-UHOSZYNNSA-N 327.399 3.772 0 50 EHAA CC[C@@H](C)c1ccc([C@@H](CC)NC(=O)c2c(C(=O)O)cnn2C)cc1 20616511 OBQVDMOPTVHBGL-MLGOLLRUSA-N 343.427 3.513 0 50 EHAA Cc1[nH]c2c(F)cccc2c1CC(=O)N[C@H](C)Cc1ccsc1 91830179 MOSXUXUNFSVWFV-LLVKDONJSA-N 330.428 3.967 0 50 EHAA CCCn1ncc(C(=O)N(CC)CCOc2cccc(Cl)c2)c1C 91808111 MFPRPBXFWVPRCG-UHFFFAOYSA-N 349.862 3.796 0 50 EHAA Cc1ccc2nc(C)c(C)c(C(=O)NCCc3cscn3)c2c1 95360146 KRJYSJXYQRUEPZ-UHFFFAOYSA-N 325.437 3.589 0 50 EHAA Cc1nc(CCCNc2nccc(-c3ccccn3)n2)sc1C 96133379 FBWWVGOMXZMURO-UHFFFAOYSA-N 325.441 3.657 0 50 EHAA CCc1ccccc1C(=O)N[C@H](C)c1cnc(-c2ccncc2)nc1C 91819889 NPYWHIUKUOYWMJ-OAHLLOKOSA-N 346.434 3.900 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 239296738 DDYUTCUZZQMLEM-AJABAVSMSA-N 334.202 3.551 0 50 EHAA c1ccc(SCc2ccc(-c3nc([C@@H]4CCOC4)no3)cc2)nc1 96160108 YNZJUJUSELQEET-OAHLLOKOSA-N 339.420 3.928 0 50 EHAA CN(C(=O)c1ccccc1-c1nc[nH]n1)[C@H]1CCCc2ccccc21 91650356 HJJYVRJILDJNJK-SFHVURJKSA-N 332.407 3.621 0 50 EHAA Cc1cc(C)nc(N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)n1 244874715 XGAVRHOOGGLDPG-HHXXYDBFSA-N 334.423 3.566 0 50 EHAA CC1(C)C[C@@]1(CNCc1ccc(OCC(=O)O)cc1)c1ccccc1 902489097 KKRQCYNHSXRKCD-OAQYLSRUSA-N 339.435 3.608 0 50 EHAA C[C@@H](NCc1ccc(OCC(=O)N2CCCC2)cc1)C1=CCCCC1 952988755 UJGXYDRHDJYKCG-QGZVFWFLSA-N 342.483 3.666 0 50 EHAA C[C@H](C(=O)N1CCC(OC2CCCCC2)CC1)[C@@H](N)c1ccccc1 408513557 GPWSWKHNXRSPFY-OXJNMPFZSA-N 344.499 3.663 0 50 EHAA CCc1nc(NC[C@H](O)c2c(F)cccc2F)c2ccsc2n1 170055112 HIJADZCJEKNQQO-LBPRGKRZSA-N 335.379 3.677 0 50 EHAA CCC1(CC)CCCN(C(=O)NCc2nnc3n2CCCCC3)CC1 188502563 IAQZQKYTQRLWQM-UHFFFAOYSA-N 347.507 3.506 0 50 EHAA C[C@@H](c1ccco1)N1C(=O)CC[C@@H]1CCNCc1ccc(F)cc1 11784068 QZPHZCTYLSLPIU-WMLDXEAASA-N 330.403 3.651 0 50 EHAA CN(Cc1ccccc1)Cc1cc(C(=O)N(C)Cc2ccccc2)no1 11816433 MTPJENQWFACSFO-UHFFFAOYSA-N 349.434 3.579 0 50 EHAA CCN1CCC[C@@H](CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)C1 12075952 YDPDDZJIPFINDI-AWEZNQCLSA-N 348.878 3.554 0 50 EHAA COC(=O)c1sccc1NC(=S)Nc1ccc(F)cc1F 13497582 HPWNBVGLVLBXET-UHFFFAOYSA-N 328.365 3.622 0 50 EHAA CCC(CC)C(=O)NC[C@@H]1Cc2cccc(-c3ncccc3C)c2O1 15000645 JMDXLSWDQTVDTA-KRWDZBQOSA-N 338.451 3.913 0 50 EHAA CCC(=O)Nc1cc(-c2nc3ncccc3o2)cc(Cl)c1OC 16648958 HOCKLHNBARSHIJ-UHFFFAOYSA-N 331.759 3.900 0 50 EHAA Fc1cc(F)cc(-c2nccn2[C@@H]2CCOC3(CCOCC3)C2)c1 1857735502 QBIOMFCKIATJPF-MRXNPFEDSA-N 334.366 3.729 0 50 EHAA COCc1cccc(N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 221730403 HTYUYRRLJDWJRK-OXJNMPFZSA-N 325.456 3.551 0 50 EHAA CCc1ccc([C@@H]2CCN(C(=O)c3ccnc(OC(F)F)c3)C2)cc1 452154866 AKNMFZTXZBORFM-MRXNPFEDSA-N 346.377 3.875 0 50 EHAA O=C(Nc1ccns1)N(Cc1nc2ccccc2s1)C1CC1 932019735 FTODYOCRRVJGOC-UHFFFAOYSA-N 330.438 3.949 0 50 EHAA CCCn1ccc2ccc(NC(=O)C3CCC(C(=O)O)CC3)cc21 851694180 YBSJLUKQCINLAU-UHFFFAOYSA-N 328.412 3.881 0 50 EHAA CCC1CCC(N(C(=O)c2cccc3ncnc(O)c23)C2CC2)CC1 1142405098 MJJGSTKPHVIFKX-UHFFFAOYSA-N 339.439 3.909 0 50 EHAA CC(C)(C)c1coc(COc2cnn(Cc3ccc(F)cc3)c2)n1 1875327581 ADCYXRCJOYYVKC-UHFFFAOYSA-N 329.375 3.935 0 50 EHAA CC1=C(C(=O)N2CCC[C@H]([C@@H]3CCN(C(=O)CC(C)C)C3)C2)CCC1 1875358476 XNDBXRQJORLVNN-ZWKOTPCHSA-N 346.515 3.620 0 50 EHAA Cc1nnsc1CNC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 895027970 QNYYXRLOEIGGAF-OAHLLOKOSA-N 344.484 3.572 0 50 EHAA CC(C)(C)OC(=O)Nc1cccc(Cl)c1CN1CCC[C@@H](O)C1 1776006253 NRXHAKOCDOYVEU-GFCCVEGCSA-N 340.851 3.644 0 50 EHAA O=C(Nc1ccc2cnccc2c1)N1CC[C@H](Cc2ccccn2)C1 2325790994 FUHGQBSAYDYOIW-OAHLLOKOSA-N 332.407 3.726 0 50 EHAA CC(C)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 57012 MYMGENAMKAPEMT-IBGZPJMESA-N 325.408 3.542 0 50 EHAA CCc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)cc1 121606 YDZRLCHVISDWEG-UHFFFAOYSA-N 326.783 3.685 0 50 EHAA O=C(Nc1cccc(Br)c1)c1cc2ccccc2oc1=O 187288 WLJWSBVHUKWRGZ-UHFFFAOYSA-N 344.164 3.808 0 50 EHAA O=C(O)c1ccccc1C(=O)N1CCS[C@@H]1c1ccc(Cl)cc1 194556 WBMUDYPJDDBFRN-MRXNPFEDSA-N 347.823 3.926 0 50 EHAA C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)C1 2634210 ALBPCHSSLHAJOF-PHIMTYICSA-N 337.876 3.813 0 50 EHAA COc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(OC)c1 2951635 WWSWYVNKELTZPE-UHFFFAOYSA-N 349.814 3.992 0 50 EHAA COc1cc(CNc2ccc3cn[nH]c3c2)cc(Br)c1O 3876211 HAQJVQIANZZEIJ-UHFFFAOYSA-N 348.200 3.652 0 50 EHAA CCc1c(C)sc(NC(=O)[C@@H](CC)Oc2ccccc2)c1C(N)=O 6122948 ILLDHQNNNPGKBT-CQSZACIVSA-N 346.452 3.514 0 50 EHAA Cc1oc2c(C)c(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1 6556309 GHLWYUWNSCMSBF-UHFFFAOYSA-N 332.359 3.968 0 50 EHAA CC[C@H](C)Oc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 10011967 PIJURTKUVMCDRQ-KRWDZBQOSA-N 338.451 3.826 0 50 EHAA COCCN(Cc1ccc(C)cc1)Cc1cccn1-c1nccs1 55575545 TXDILCDLLJOQAB-UHFFFAOYSA-N 341.480 3.891 0 50 EHAA CC[C@@H](C)N(Cc1ccc(S(C)(=O)=O)cc1)Cc1ccsc1 55131578 RGZQCMXVNVBARE-CQSZACIVSA-N 337.510 3.952 0 50 EHAA Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](n3nc(C)cc3C)C2)c1 247946253 WNYBIWVKWLLVAW-HSALFYBXSA-N 337.467 3.776 0 50 EHAA CC(=O)Nc1ccc(C)cc1NC(=O)CCC(=O)c1ccc(F)cc1 171096665 DRSHSPXPZKLNQQ-UHFFFAOYSA-N 342.370 3.694 0 50 EHAA C[C@H](OC[C@H]1CCCO1)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 250150030 WJXNSAFYBYNJLL-IJEWVQPXSA-N 331.412 3.536 0 50 EHAA CCCCc1ccc(CN2CCC[C@]3(CCN(C(C)=O)C3)C2)s1 67588921 RORREGYDMLJOQR-IBGZPJMESA-N 334.529 3.925 0 50 EHAA O=C(c1cc2sccc2[nH]1)N1CCCC[C@@H]1CCn1ccnc1 67920372 SNQQCVJLHYVJKX-CYBMUJFWSA-N 328.441 3.511 0 50 EHAA COc1ccc([C@H](NC(=O)NCC2(C3CC3)CC2)C(F)F)cc1F 252506348 VZVQSILWJDMHQD-AWEZNQCLSA-N 342.361 3.630 0 50 EHAA O=C(CCCC(=O)N1CCC[C@H]1c1nccs1)c1ccccc1 219408923 JGOYGCLVNAEFED-HNNXBMFYSA-N 328.437 3.860 0 50 EHAA Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)Nc1nccs1 120950835 DIGOPXDLDJDXRK-NSHDSACASA-N 338.502 3.663 0 50 EHAA CCc1c(C)sc(NC(=S)N2CCCC[C@@H]2C)c1C(=O)OC 6708238 ALNTXHUFVGQRDE-JTQLQIEISA-N 340.514 3.977 0 50 EHAA COC[C@@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccccn1 77423277 CEJHIUQNJCGLPT-QGZVFWFLSA-N 332.831 3.562 0 50 EHAA C[C@H](NC(=O)c1ccc2c(c1)ncn2C)c1cccc(OC(F)F)c1 124012899 DJZROWMCRIJNKI-NSHDSACASA-N 345.349 3.666 0 50 EHAA COc1ccc2nc(C(F)(F)F)nc(N3CCc4cnccc43)c2c1 360990569 MFXINRBABMMWFB-UHFFFAOYSA-N 346.312 3.746 0 50 EHAA Cn1c([C@@H]2CCCN2Cc2nc3ccccc3o2)nc2c1CCCC2 328628411 HEZNCQRFVVGTAP-KRWDZBQOSA-N 336.439 3.777 0 50 EHAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)Cc4ccc(O)cc4)C3)nc12 77470160 SEJITTKXVIHNRM-MRXNPFEDSA-N 349.434 3.526 0 50 EHAA C[C@@H](CN)C(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 262554732 PHQZQHPYCCCMIJ-JTQLQIEISA-N 349.887 3.798 0 50 EHAA O=C(Cc1ccc(CO)cc1)N1CCCC[C@H]1c1cccc(F)c1 77375859 VLQJESNQOGICNK-IBGZPJMESA-N 327.399 3.614 0 50 EHAA O=C1CC[C@]2(CCCO2)CCN1Cc1ccc(C(F)(F)F)cc1 72163974 AFZCZSKMJRGUHI-MRXNPFEDSA-N 327.346 3.767 0 50 EHAA Cc1cc(C(F)F)c2c(N)c(C(=O)Nc3cc(C)on3)sc2n1 44920267 YJCBPCSLRYTMQA-UHFFFAOYSA-N 338.339 3.673 0 50 EHAA O=C(Cc1ccc2ccccc2c1)NCc1ccccc1-n1ccnc1 19741307 LUMCREIHBXPHRZ-UHFFFAOYSA-N 341.414 3.884 0 50 EHAA CNC[C@@H]1CCN(C(=O)/C=C/c2sc3ccccc3c2Cl)C1 178978630 WLPRPYZTWFYQKA-SYTKJHMZSA-N 334.872 3.636 0 50 EHAA COCc1cc(N[C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)ncn1 91860273 YNZNAMLNJXDGJB-KRWDZBQOSA-N 325.416 3.617 0 50 EHAA COc1ccc(NC(=O)[C@H](NC(=O)[C@H]2CCCC[C@H]2C)C(C)C)cc1 245253935 UEANFMBUAUUYHG-FHLIZLRMSA-N 346.471 3.601 0 50 EHAA O=C(NCc1cc(-c2cccc(F)c2)no1)N1CCCCCCC1 534655957 NAVJDZVERGOIQF-UHFFFAOYSA-N 331.391 3.956 0 50 EHAA CSc1ccc(NC(=O)N2CCCC[C@H]2CN2CCCC2)cc1 299763943 HPWNJZBKZVFPEY-INIZCTEOSA-N 333.501 3.891 0 50 EHAA CCC(CC)n1nc(C)cc1NC(=O)N(CC)C[C@H]1CCCCO1 299766286 IAXPQTGORBYNEA-MRXNPFEDSA-N 336.480 3.976 0 50 EHAA CCc1c(C)sc2ncn(CCCc3c(C)noc3C)c(=O)c12 584901373 AXMVGFPXMUTDKT-UHFFFAOYSA-N 331.441 3.566 0 50 EHAA CC(C)Cc1cc(C(=O)Nc2ccc(N3C(=O)CC[C@H]3C)cc2)on1 952868768 SWRVSSLTJNMXTP-CYBMUJFWSA-N 341.411 3.641 0 50 EHAA Cc1ccsc1CN(C(=O)c1cc(CC(C)C)nc(O)n1)C1CC1 952966490 WUKINYSAIWVOBX-UHFFFAOYSA-N 345.468 3.555 0 50 EHAA Cc1cc(C)c(NC(=O)N2CC(C)(C)OC3(CCCC3)C2)c(C)n1 408469240 RWQWUJCSDSGDGI-UHFFFAOYSA-N 331.460 3.962 0 50 EHAA O=C(NCc1cccnc1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 275143349 QNQFKUARBNZYOI-XUVXKRRUSA-N 335.451 3.949 0 50 EHAA CCOc1cc2nccc(NC[C@@H](O)c3ccco3)c2cc1OCC 170626119 ZJYGOJKSVQKJLA-MRXNPFEDSA-N 342.395 3.771 0 50 EHAA Cc1nnc(NCCOc2cccc3cccnc23)c2ccccc12 1529133978 JLLFYDPDOSKYGX-UHFFFAOYSA-N 330.391 3.977 0 50 EHAA CCc1ccc(CN2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)o1 12197809 ADPRHUUZWKLORV-HNNXBMFYSA-N 341.407 3.666 0 50 EHAA C[C@H](NC(=O)C[C@@H](C)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 12383387 JNDAQUMQXJWVKQ-IXDOHACOSA-N 338.451 3.767 0 50 EHAA O=S(=O)(Cc1ccccc1F)Nc1ccccc1C(F)(F)F 16577291 JBDWVBLVDRIOHE-UHFFFAOYSA-N 333.306 3.786 0 50 EHAA CC(C)(C)OC(=O)N1CCN(c2nc3cc(Cl)ccc3o2)CC1 204113406 HASXMDZGFHHPMQ-UHFFFAOYSA-N 337.807 3.538 0 50 EHAA Cc1nnc(CN2CCC[C@H](COc3ccccc3Cl)C2)s1 253418443 MYNRLBMIIMKNLG-ZDUSSCGKSA-N 337.876 3.791 0 50 EHAA O=C(O)C[C@@H](c1ccccc1)C1CCN(Cc2cccc(O)c2)CC1 901599446 LSXPMEIWRNEVOT-FQEVSTJZSA-N 339.435 3.863 0 50 EHAA c1ccc(Oc2cc(Nc3cnn(-c4ccncc4)c3)ncn2)cc1 1875339001 SKTNCPDHZKRLLC-UHFFFAOYSA-N 330.351 3.593 0 50 EHAA Cc1ccc2c(nc3s/c(=C\c4ccc(Cl)cc4)c(=O)n32)c1C 49568 XPSJHWKHVRLYRI-DHDCSXOGSA-N 340.835 3.727 0 50 EHAA Brc1cnccc1CNCCc1cccc2cc[nH]c12 2325855467 BSFLLRWYYUXRBM-UHFFFAOYSA-N 330.229 3.658 0 50 EHAA Cc1nc(NC(=O)c2cccc(CN3CCCCC3)c2)c2cc[nH]c2n1 2325857460 BXOOSWZAZDWASW-UHFFFAOYSA-N 349.438 3.505 0 50 EHAA COc1nc2ccccc2cc1CN[C@@H]1CCN(c2ccccc2)C1 2325859616 DDDDXRINTOWBHS-GOSISDBHSA-N 333.435 3.612 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@H]2C(=O)O 100629359 WLUUNDKHYAJMCU-AHCXZYCDSA-N 327.424 3.935 0 50 EHAA Cc1c(C)c2ccc(OCC(=O)OCc3ccccc3)cc2oc1=O 455173 ZZRQXHMHBHDITM-UHFFFAOYSA-N 338.359 3.532 0 50 EHAA O=C(Cc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 469177 SNEZXSGGTIYYBX-UHFFFAOYSA-N 344.414 3.798 0 50 EHAA COc1cccc(C(=O)Nc2nnc(C3CCCCC3)s2)c1OC 473740 OEXCSPDRTGHJBO-UHFFFAOYSA-N 347.440 3.855 0 50 EHAA COc1cc2c(cc1OC)[C@H](c1ccc(OC(C)C)cc1)CC(=O)N2 4488779 ZMJXROHTIWCAQC-HNNXBMFYSA-N 341.407 3.965 0 50 EHAA COc1ccc(Cl)cc1CNc1ccc(N2CCOCC2)cc1 4911844 HWCVRUZPQQJUOU-UHFFFAOYSA-N 332.831 3.797 0 50 EHAA O=S(=O)(c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 5947542 LIXYWYGLRUVSSW-HNNXBMFYSA-N 344.461 3.822 0 50 EHAA O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21 6475935 IAUZTOZLTFSMIE-UHFFFAOYSA-N 328.327 3.577 0 50 EHAA in-vivo O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1ccncc1 6743281 YDBUVWBCWOQSJK-UHFFFAOYSA-N 334.375 3.792 0 50 EHAA COc1cc(OC)c(NC(=O)c2c(F)cccc2F)cc1Cl 9447583 VMVDGHNLQPZYNU-UHFFFAOYSA-N 327.714 3.888 0 50 EHAA Cc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)C2CCCC2)O3)nc1 12184394 JSMPRKOVHQXFRP-GOSISDBHSA-N 336.435 3.667 0 50 EHAA OCc1ccc(CN2CCC[C@H](CCc3ccc(F)cc3F)C2)o1 12302391 XAMJDVBVVACBGF-CQSZACIVSA-N 335.394 3.895 0 50 EHAA Cc1cccc(C)c1-n1nnnc1C1(N2CCCC2)CCCCC1 12618726 CQMOABIPIGOFJE-UHFFFAOYSA-N 325.460 3.534 0 50 EHAA CC(C)=CC(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2F)C1 14970741 JAPAABYCZCVHQN-KRWDZBQOSA-N 332.463 3.505 0 50 EHAA Clc1ccc(Cn2c(CN3CCOCC3)nc3ccccc32)cc1 20058788 NPQUNOKMEXBAMH-UHFFFAOYSA-N 341.842 3.570 0 50 EHAA COc1ccc(C(=O)N2CCSC[C@@H]2c2ccc(OC)cc2)cc1 20733369 TUIBPMIEYANJRP-GOSISDBHSA-N 343.448 3.634 0 50 EHAA CCCCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H]1CCCC(=O)O1 44676007 AWRLHDHWBSHXSP-DDEBSAQFSA-N 336.472 3.523 0 50 EHAA in-vitro CCCOC[C@H]1CCN(C(=O)c2cc3cc(C)ccc3nc2C)C1 55109347 QSYPBMLIHCXJGH-INIZCTEOSA-N 326.440 3.740 0 50 EHAA Cc1cccc(CN2CCOc3c(O)cc(-c4cccnc4)cc3C2)n1 67895912 QMVLJVMZAWSVAS-UHFFFAOYSA-N 347.418 3.552 0 50 EHAA CCc1noc([C@H](C)Nc2cc(-c3ccccc3)nc3cc(C)nn23)n1 72476291 MODDGLFRTZJOCN-ZDUSSCGKSA-N 348.410 3.823 0 50 EHAA CCC[C@@H](NC(=O)c1oc2c(F)cccc2c1C)c1nccn1C 77406198 UPLQBVZPWXAADA-CQSZACIVSA-N 329.375 3.885 0 50 EHAA CC(=O)N[C@@H]1CN(c2cc(C)c3ccccc3n2)C[C@H]1c1ccc(C)o1 91504068 RSRNEQDYZBENSO-IEBWSBKVSA-N 349.434 3.553 0 50 EHAA CC(C)=CCN1CC2(CCN(Cc3c(F)cccc3F)CC2)CC1=O 91645060 UEBLMBNQUCOYDD-UHFFFAOYSA-N 348.437 3.746 0 50 EHAA COc1ccc(CN2C[C@@](C)(c3ccccc3)CCC2=O)c(OC)c1 91665653 PYDWLDCVPJUVSK-NRFANRHFSA-N 339.435 3.784 0 50 EHAA C[C@@]1(c2ccccc2)CCCN(c2ncccc2C(=O)N2CCCC2)C1 91873370 DMSRRCUBIBKCRH-JOCHJYFZSA-N 349.478 3.876 0 50 EHAA Cc1cc(C)c2c(NCC[C@H]3CCCCN3C(C)C)ncnc2n1 95355615 UQHIUKOXBMXYLZ-MRXNPFEDSA-N 327.476 3.707 0 50 EHAA CC(=O)c1cc(CC(=O)N(C)CCn2ccc3ccccc32)cs1 97681778 IUWRVFIVWSNYQP-UHFFFAOYSA-N 340.448 3.607 0 50 EHAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](c1nc(C2CC2)no1)C(C)C 119706598 ZWGUIJKAGXTMFK-HZSPNIEDSA-N 345.468 3.934 0 50 EHAA Cn1c(S[C@@H]2CCCCc3ccccc32)nnc1-c1cnccn1 155612699 XCOKHSGAZUCJCH-MRXNPFEDSA-N 337.452 3.832 0 50 EHAA C[C@@H]1C[C@H](NC(=O)Nc2ccsc2)CCN1Cc1ccccc1 157155132 MNGQGRWQGKPIMI-GDBMZVCRSA-N 329.469 3.923 0 50 EHAA Cc1oc(-c2cccs2)nc1CNc1cccc2c1C(=O)NC2 170652796 QZDLLEFGCDZXRE-UHFFFAOYSA-N 325.393 3.567 0 50 EHAA COc1ccccc1[C@H](NCc1cnn2ccccc12)c1ccco1 178870797 PAIWNUVNNODLIJ-FQEVSTJZSA-N 333.391 3.815 0 50 EHAA CC(C)(C)N1CCN(C(=O)c2ncc(F)cc2F)c2ccccc21 190825147 CYVUFYKYLJGSOS-UHFFFAOYSA-N 331.366 3.625 0 50 EHAA CC(=O)c1cc(CN(C)Cc2nnc(-c3ccccc3)o2)cs1 215265703 BZQZFBOXBMWAAA-UHFFFAOYSA-N 327.409 3.633 0 50 EHAA COCC[C@@H]1CCCCN1Cc1ccc(OC)c(OC)c1Cl 216426986 NXQGITUHKATZOF-AWEZNQCLSA-N 327.852 3.748 0 50 EHAA O=C1CCCN1Cc1cccc(-c2noc(CC3CCCC3)n2)c1 225594708 CMPWZSBLDHGPAR-UHFFFAOYSA-N 325.412 3.592 0 50 EHAA C[C@H]1[C@H](C)CCC[C@H]1N1CN=C(Nc2nc3ccccc3s2)NC1 239038555 DKVCDNJJRMBTJV-VNHYZAJKSA-N 343.500 3.709 0 50 EHAA CC[C@@H]1C[C@H](C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CCO1 241588246 PBEZGNOLFGAORV-OBKDMQGPSA-N 327.468 3.986 0 50 EHAA CCC(CC)n1nc(C)cc1C(=O)N1CCOc2ccc(F)cc2C1 252502658 USMIBWYNYKXKFG-UHFFFAOYSA-N 345.418 3.727 0 50 EHAA O=C(c1ccccc1OCC1CC1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 253623478 VTYVZXSWIIEILY-UHOSZYNNSA-N 343.467 3.631 0 50 EHAA C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@H]2[C@H](O)C[C@]2(C)[C@@H]3CC[C@]2(C)O)CC1=O 257358218 SFKLNBOMRUIZOU-VWBINTCBSA-N 334.500 3.566 0 50 EHAA CCn1c(NC(=O)c2cn(C(C)(C)C)nc2C)nc2ccc(F)cc21 273256885 PMIXYBHYXKDUHS-UHFFFAOYSA-N 343.406 3.708 0 50 EHAA Cc1cnc([C@@H](C)NC(=O)c2cc(C)c(Br)cc2C)o1 330724837 ZCGCGNKUXGVBNT-LLVKDONJSA-N 337.217 3.853 0 50 EHAA Cc1nc(C(=O)N2CCC(c3ccnc4ccccc34)CC2)c(C)o1 408522282 GSVROBPTQFTVHP-UHFFFAOYSA-N 335.407 3.859 0 50 EHAA Cc1nc2c(C)cccc2cc1C(=O)N1CCC[C@H](c2ccncn2)C1 426420458 UZIPHGIRLMWECR-KRWDZBQOSA-N 346.434 3.661 0 50 EHAA C[C@@]1(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)CC=CCC1 449991294 USZXEBBXYIXDAX-MRXNPFEDSA-N 341.377 3.881 0 50 EHAA CC[C@@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccncc1 453188321 WHYUKPUZIKUNEL-SJORKVTESA-N 347.821 3.720 0 50 EHAA CCCn1ncnc1-c1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1 534637130 RNMUYLRBLXCHNA-CQSZACIVSA-N 338.411 3.781 0 50 EHAA Cc1[nH]c(-c2ccncc2)nc(=N[C@@H]2CCO[C@H](CC(C)C)C2)c1C 679003663 RQHVEMZKVGCVBF-QZTJIDSGSA-N 340.471 3.583 0 50 EHAA Cc1ccccc1CNc1ccccc1NC(=O)[C@@H](O)c1cccnc1 782776922 VRCWOBGJNMMAFV-FQEVSTJZSA-N 347.418 3.674 0 50 EHAA O=C(OC[C@H]1CC[C@@H](c2ccccc2)O1)c1ncnc2ccsc12 851047128 VBRUURFVJVERKW-HIFRSBDPSA-N 340.404 3.768 0 50 EHAA Cc1nccc(C(=O)N2CCC[C@]2(C)Cc2cc(Cl)cs2)n1 885247556 HCPUCGBHLRFAIM-MRXNPFEDSA-N 335.860 3.737 0 50 EHAA COCc1csc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 888102132 DHERQZZJXIIXQI-INIZCTEOSA-N 344.480 3.745 0 50 EHAA COc1cc(F)ccc1CN[C@H]1CCCN(Cc2cccs2)C1 952980760 QJINNMHTBRBFQG-INIZCTEOSA-N 334.460 3.650 0 50 EHAA Cc1onc(-c2cccs2)c1C(=O)Nc1nc(C2(C)CC2)ns1 1336569183 JKQRUYOEMHMOOJ-UHFFFAOYSA-N 346.437 3.867 0 50 EHAA O=C(O)C1(CC(F)F)CCN(Cc2cnc3ccsc3c2)CC1 1875283606 XQJULODVOAPDFI-UHFFFAOYSA-N 340.395 3.618 0 50 EHAA COc1ccc([C@H]2CN(c3nc4c(s3)CCCC4)CCO2)cc1 1875307518 OWDYXRSPWLTKGR-MRXNPFEDSA-N 330.453 3.608 0 50 EHAA Cc1nc2c(s1)CCC[C@H]2NC(=O)c1cccc2ncsc12 2100482599 LEZRQMPVXUPZPY-LLVKDONJSA-N 329.450 3.869 0 50 EHAA C[C@@H](c1nc(-c2ccc(-c3cccc(CO)c3)s2)no1)N(C)C 2325803493 KEIANDCUZUYRIU-NSHDSACASA-N 329.425 3.580 0 50 EHAA Cc1ccc2ccnc(N3CCN(c4ccncc4Cl)CC3)c2c1 2325855969 XFMBVXAXTZNOLS-UHFFFAOYSA-N 338.842 3.918 0 50 EHAA COc1cc2c(cc1-c1cccc(C(=O)N3CCCCC3)c1)OCO2 2356139931 MVRLNWPLHVIRIT-UHFFFAOYSA-N 339.391 3.717 0 50 EHAA Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3ccco3)cc12 198425 WEWOJFYJMJQWKK-UHFFFAOYSA-N 337.404 3.918 0 50 EHAA Cc1ccc(C)c(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)c1 307687 NXYYTTWZILQXKN-GOSISDBHSA-N 338.407 3.905 0 50 EHAA Nc1c(C(=O)c2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1 2522149 RORQAHLLARLTJT-UHFFFAOYSA-N 332.190 3.992 0 50 EHAA CN(Cc1ccc(CC(F)(F)F)cc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356153679 QLLNTDDEACSZMJ-WNKDZCFJSA-N 327.390 3.773 0 50 EHAA Cc1ccc(NC(=O)[C@H](C)[C@H]2Sc3ccccc3NC2=O)c(C)c1 2874616 CVEIIVIHVHUOIJ-CXAGYDPISA-N 340.448 3.991 0 50 EHAA Cc1cccc(-c2noc(CNC(=O)Cc3ccc(Cl)cc3)n2)c1 4838344 VAUKSZLBAMJUGU-UHFFFAOYSA-N 341.798 3.557 0 50 EHAA Cn1c(/C=C/c2cccc(Br)c2)nc2ccccc2c1=O 4844277 VTYRWUYCGWRDIB-MDZDMXLPSA-N 341.208 3.866 0 50 EHAA O=S(=O)(NCCCc1ccc(F)cc1)c1ccc2ccccc2c1 10543323 ZCPGPWLKLSQQCM-UHFFFAOYSA-N 343.423 3.890 0 50 EHAA Cc1oc(-c2ccoc2)nc1CN(C)C[C@H]1COc2ccccc2O1 55090830 PSESVZOKJQGEBS-HNNXBMFYSA-N 340.379 3.515 0 50 EHAA CC(C)c1cc(C(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)on1 55357681 QEZDJVDKXWOJHL-UHFFFAOYSA-N 342.374 3.599 0 50 EHAA CN(Cc1ccccc1)c1ncccc1CNc1cc(C2CC2)ncn1 67982073 WJULRHBTLGAQRO-UHFFFAOYSA-N 345.450 3.998 0 50 EHAA CC(C)C[C@@H](NC(=O)c1cc2ccccc2o1)c1nnc2ccccn12 20728630 PFSOHXPXTKVHEI-OAHLLOKOSA-N 348.406 3.993 0 50 EHAA c1ccc(-c2ncn(CCSc3cnn[nH]3)c2-c2ccncc2)cc1 65396286 JYFJWVPBELZJQN-UHFFFAOYSA-N 348.435 3.523 0 50 EHAA CCc1nc(C)cc(N2CCC[C@H]2c2cc(OC)ccc2OC)n1 253419300 LDPLZPMQXSAKRK-INIZCTEOSA-N 327.428 3.706 0 50 EHAA Cc1nn(C)c(C)c1C(=O)N1CCC(F)(c2ccccc2Cl)CC1 328586682 YHXBWBMUTQXJPX-UHFFFAOYSA-N 349.837 3.791 0 50 EHAA CC(C)c1csc([C@@H]2CCCN(Cc3ncnn3C(C)(C)C)C2)n1 253392590 RCYGMQSITFGWQL-CQSZACIVSA-N 347.532 3.993 0 50 EHAA Cc1cc(NC(=O)NCc2ccoc2)cnc1N1CCCC[C@H]1C 331468385 VVTKVFFKUUGVCB-CQSZACIVSA-N 328.416 3.684 0 50 EHAA COc1ccc(CN2CCCC[C@H]2CCc2nccn2C)c(F)c1 77540524 MARAINZZCGTDEY-INIZCTEOSA-N 331.435 3.555 0 50 EHAA CCC[C@H]1CCc2nc(NC(=O)[C@H](C)c3cncnc3)sc2C1 333533788 YMESCVDJUJGYLL-NEPJUHHUSA-N 330.457 3.580 0 50 EHAA CC(C)c1cnc(NC(=O)CCc2nnc(-c3ccsc3)o2)s1 172673995 MQKOEFVUDNNQRP-UHFFFAOYSA-N 348.453 3.949 0 50 EHAA CC[C@H](NC(=O)Cc1ccccc1C(F)(F)F)c1nccs1 219830989 RIIUDOBQKAWFSI-LBPRGKRZSA-N 328.359 3.972 0 50 EHAA O=C(O)C1(Cc2ccc(Cl)cc2)CCN(c2ncccc2F)CC1 71749879 ZMTSKJUVUBRNMS-UHFFFAOYSA-N 348.805 3.788 0 50 EHAA Cc1sc2nc(S)n(-c3cc(Cl)ccc3O)c(=O)c2c1C 17071063 NEJGVZNXKBTQNG-UHFFFAOYSA-N 338.841 3.712 0 50 EHAA O=C(Nc1cccc(Oc2cccnn2)c1)C(F)(F)c1ccccc1 175915037 GRAFOCWKDJGBRJ-UHFFFAOYSA-N 341.317 3.999 0 50 EHAA Cc1nc(CN[C@H]2c3ccccc3CC23CCOCC3)sc1C 290238538 YUFMHNNFXKTQNQ-SFHVURJKSA-N 328.481 3.944 0 50 EHAA CC(C)c1cc(C(=O)N(Cc2ccncc2)C2CCCCC2)n(C)n1 82137321 FLNOXLYYWLLYBQ-UHFFFAOYSA-N 340.471 3.914 0 50 EHAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N[C@H](C)Cc3cncs3)c2c1 91943875 ZCTKMZSPVPMJQQ-CYBMUJFWSA-N 341.480 3.840 0 50 EHAA CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 253617029 MDCCMZGGNCMFPQ-KZUPDQSHSA-N 346.511 3.876 0 50 EHAA biogenic Cc1cc2c(cc1NC(=O)N[C@H]1CCc3cc(F)ccc31)OCO2 183796991 ASYSELNTJZAWEO-AWEZNQCLSA-N 328.343 3.672 0 50 EHAA COc1ccc([C@](C)(O)[C@H](c2ccccc2)[C@H]2CCCCN2)cc1 257356294 HGOAFHCXOPDXNZ-NJYVYQBISA-N 325.452 3.829 0 50 EHAA Cc1ccc(S[C@@H](C)C(=O)N2CCC(CCC(=O)O)CC2)cc1 538583050 CTABNYBZQOMFTB-AWEZNQCLSA-N 335.469 3.579 0 50 EHAA C[C@H](c1cccc(-c2c(C(=O)O)nc3ccccn23)c1)N1CCCC1 534670077 PWAHQQXNWCOOFF-CQSZACIVSA-N 335.407 3.856 0 50 EHAA CC(C)c1ocnc1C(=O)NCCCc1nc2ccccc2s1 299784731 MSLATAFAIIIVDG-UHFFFAOYSA-N 329.425 3.770 0 50 EHAA Cc1cc2n(n1)CCCN(C(=O)Nc1ccc3sc(C)nc3c1)C2 299781823 DZQJFOQNOIHJDA-UHFFFAOYSA-N 341.440 3.547 0 50 EHAA CCC(=O)Nc1ccc(OC)cc1NC(=O)CSc1ccccc1 822535811 IJGZXHFGWOYNFC-UHFFFAOYSA-N 344.436 3.775 0 50 EHAA CC(C)(C)OC(=O)N1[C@H]2CC[C@@H](COc3ccc(F)cn3)[C@H]1CC2 498050869 JJKONTFXNFFKQB-AEGPPILISA-N 336.407 3.778 0 50 EHAA FC(F)(F)c1cccc(OC2CCN(CCc3ncc[nH]3)CC2)c1 670436121 KGTUKSPLTKDZPP-UHFFFAOYSA-N 339.361 3.514 0 50 EHAA CC(=O)c1ccc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cc1 1565507034 HCVNLIMOTJGCPX-GGAORHGYSA-N 348.490 3.986 0 50 EHAA Cc1nc(N2CCN(c3ncc(C(F)(F)F)s3)CC2)sc1C 276769105 NDJAYNXGMJNFGX-UHFFFAOYSA-N 348.419 3.562 0 50 EHAA CCCC(=O)N1CCC[C@H](C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 170621255 AOBBONYGRHHJMK-XWTMOSNGSA-N 335.488 3.927 0 50 EHAA CCN(C(=O)c1cc(Br)c(F)cc1F)c1cccnc1 192262763 NIWBEDQGONTHKQ-UHFFFAOYSA-N 341.155 3.789 0 50 EHAA COc1cccc2c1CCN(Cc1c[nH]nc1-c1ccc(C)o1)CC2 194571677 OBKJEHOWQMBFSH-UHFFFAOYSA-N 337.423 3.588 0 50 EHAA CCN1CCC[C@H]1CNC1CCN(c2ccc(C)c(Cl)c2)CC1 1506414257 XAUJLMHVRIAMML-SFHVURJKSA-N 335.923 3.691 0 50 EHAA Cc1cc(C(=O)N2C[C@H]3CCC[C@](O)(c4ccccc4)[C@H]3C2)c(C)o1 1704300152 PJLOFIBQHDZKBU-PBEJRMEISA-N 339.435 3.656 0 50 EHAA O=C(NCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)cc1 5427695 HDEQHZYXATZHBO-UHFFFAOYSA-N 346.749 3.851 0 50 EHAA CCc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 5354918 FFGLJUMVIJBFLE-HNNXBMFYSA-N 334.423 3.723 0 50 EHAA Clc1ccc(N2CCC(N[C@@H]3COc4ccccc4C3)CC2)cc1 11873301 IOVZJYFMCDOEHB-SFHVURJKSA-N 342.870 3.902 0 50 EHAA Cc1cc(C)c(CN[C@@H]2COc3ccccc3C2)c(-n2cccn2)c1 19771023 QIMYIKFBUBGZGU-SFHVURJKSA-N 333.435 3.582 0 50 EHAA CN(C(=O)[C@H]1CCOc2ccc(Cl)cc21)c1ccc(Cl)cn1 253419579 PTSVSIHKQGADCN-LBPRGKRZSA-N 337.206 3.918 0 50 EHAA CCc1c(-c2csc([C@@H]3CCCN3C(C)=O)n2)[nH]c(C)c1C(C)=O 864368158 KUBXPNGJKZPEPH-HNNXBMFYSA-N 345.468 3.895 0 50 EHAA O=C(OCc1ccccc1C(F)(F)F)[C@@]12OCCC[C@@H]1C2(F)F 1875267228 ZCMNLQPDEYGXPG-AAEUAGOBSA-N 336.256 3.563 0 50 EHAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1cc[nH]c2nccc1-2 1875305181 KQCUPEVBSSMCEZ-KOMQPUFPSA-N 335.407 3.635 0 50 EHAA O=C(c1csc(Nc2ccccn2)n1)N1CC[C@@H]1C1CCCC1 889400241 GHUKKGXRDUAKDK-CQSZACIVSA-N 328.441 3.686 0 50 EHAA C[C@@H](CCc1cccnc1)Nc1ncnc2c1ncn2-c1ccccc1 2325854971 BPCZAHBVDZLGJX-HNNXBMFYSA-N 344.422 3.644 0 50 EHAA CC(C)Cc1nnc2n1CCN(Cc1ccc(Cl)c(Cl)c1)C2 242191441 XFNOUCBXYYKWFP-UHFFFAOYSA-N 339.270 3.799 0 50 EHAA CCOc1ccc(C(=O)Nc2cccc3nsnc23)cc1Cl 104067 JTSLANWLBWAOPX-UHFFFAOYSA-N 333.800 3.996 0 50 EHAA CC(C)c1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 187833 CSVSRMZSIDQBRX-MOPGFXCFSA-N 334.419 3.980 0 50 EHAA biogenic O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1O 456021 NBSSIRPAGFZXQJ-JXMROGBWSA-N 332.812 3.572 0 50 EHAA CCn1cc(Br)c(C(=O)Nc2cccc(SC)c2)n1 614297 YGEIQTBYSITAFE-UHFFFAOYSA-N 340.246 3.640 0 50 EHAA Cn1c(SCc2nc3ccccc3s2)nnc1-c1cccnc1 615123 KKEUXIBJGFLMMP-UHFFFAOYSA-N 339.449 3.779 0 50 EHAA Cc1cc2ncn(S(=O)n3cnc4cc(C)c(C)cc43)c2cc1C 2217352 UGWUAQPEJCQBFC-UHFFFAOYSA-N 338.436 3.595 0 50 EHAA CCCCCCc1c(C)c2ccc(OCC(=O)O)c(C)c2oc1=O 2479765 XVWAHGIUZVRYQQ-UHFFFAOYSA-N 332.396 3.996 0 50 EHAA biogenic CCOCCCNC(=O)CCCOc1ccc(Cl)cc1Cl 2821393 BQIIODPUTSWJRA-UHFFFAOYSA-N 334.243 3.695 0 50 EHAA O=C(Nc1ccc(Cl)cc1)c1ccc(-n2cnnc2)cc1Cl 6702615 HVTDPJWEDZXQNB-UHFFFAOYSA-N 333.178 3.826 0 50 EHAA Cc1nc(N2CCCC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 9420837 HEUCOGAMRJICLV-OAGJVSPASA-N 333.435 3.844 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)N1CCOCC1 12439175 MJLCBWYOXMOCKR-KRWDZBQOSA-N 329.827 3.721 0 50 EHAA COc1cc(-c2nc(CN(C)[C@@H](C)c3ccon3)c(C)o2)ccc1F 12577065 JEVGTKBIMYHEHC-NSHDSACASA-N 345.374 3.979 0 50 EHAA OC1(Cc2cc(-c3ccccc3)no2)CCN(CC2CCCC2)CC1 12595975 IFJQQDPXQXNARK-UHFFFAOYSA-N 340.467 3.901 0 50 EHAA Cc1cccc(C)c1-n1nnnc1C1(Nc2ccc(O)cc2)CCCC1 15636749 QALAVYHZZWYOEV-UHFFFAOYSA-N 349.438 3.866 0 50 EHAA O=C(NC1CCCC1)c1cc(-c2cn[nH]c2)nc2ccc(Cl)cc12 19770947 QWEWOZDEWSIZAX-UHFFFAOYSA-N 340.814 3.951 0 50 EHAA Cc1nc(-c2cccc(-c3cccc(-c4ccn(CCO)n4)c3)c2)no1 20541470 DJJOYVNHFZAZSJ-UHFFFAOYSA-N 346.390 3.568 0 50 EHAA CC[C@@H](C(=O)Nc1ccccc1)n1ccc(C(=O)Nc2ccccc2)n1 20617698 FHPWWWNWLHWZLJ-SFHVURJKSA-N 348.406 3.725 0 50 EHAA CCn1nc(C(C)C)cc1C(=O)N(Cc1ccccc1OC)C1CC1 55269897 NFGBAUSNMUBIRE-UHFFFAOYSA-N 341.455 3.840 0 50 EHAA Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C)c3)nc2c1 65407352 KBGSBLSFSQPAES-CQSZACIVSA-N 334.423 3.568 0 50 EHAA CC(C)N(CC1CC1)C(=O)c1cc(CN(C)Cc2ccccc2)on1 67675531 LGSRUAKXFBYSPB-UHFFFAOYSA-N 341.455 3.567 0 50 EHAA O=C(O)c1ccc(C[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 72160897 VUHMFWGTLKFMCQ-INIZCTEOSA-N 338.407 3.871 0 50 EHAA COc1cccc(OC[C@@H]2CCCN(c3nc(C)nc(C)c3C)C2)c1 77356987 VOLFKTAMAWPAAT-QGZVFWFLSA-N 341.455 3.706 0 50 EHAA c1ccc2c(-c3nccn3[C@H]3COC[C@@H]3N3CCCCC3)ccnc2c1 77438935 AJJLGIONOFJIEO-PMACEKPBSA-N 348.450 3.524 0 50 EHAA Cc1ncsc1CCC(=O)N(C)Cc1nc2ccccc2s1 82109497 YVJNRMJRIOJXJL-UHFFFAOYSA-N 331.466 3.652 0 50 EHAA COc1ccc(-c2ccc(C(=O)N3CCC[C@]4(CCOC4)C3)o2)cc1 91327179 BDFIZYMZVSPGBH-FQEVSTJZSA-N 341.407 3.598 0 50 EHAA CCn1nc(C)c(CN2CCC[C@H](c3ccc(C(=O)O)cc3)C2)c1C 95383915 BNAARUKRYQWQTC-SFHVURJKSA-N 341.455 3.598 0 50 EHAA CCc1nc(C)c([C@H](C)N(C)C(=O)Cc2noc3ccccc23)s1 120054313 LVQNVZKHDMZFFY-LBPRGKRZSA-N 343.452 3.917 0 50 EHAA O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1CCCc2[nH]ncc21 134565787 KDMXNMKFNGBMRG-SFHVURJKSA-N 347.418 3.938 0 50 EHAA C[S@@](=O)C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 173141886 CMCQXHHHMIPKRX-UZUQRXQVSA-N 349.883 3.509 0 50 EHAA CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccccc1C 174896495 OVERDHLHVAEVFQ-UHFFFAOYSA-N 337.467 3.769 0 50 EHAA C[Si](C)(C)CCOCn1ccc2c(Cl)c(C(=O)O)cnc21 201409984 YYPDDWJAZPVCTI-UHFFFAOYSA-N 326.856 3.700 0 50 EHAA CCOCc1ccc(NC(=O)c2ncccc2Br)cc1 225421141 MNXJVBXYOGMAEK-UHFFFAOYSA-N 335.201 3.633 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NCCC1=CCCCC1)[C@@H]2C(=O)O 225634756 ZTUAJOYALITIFU-JOCBIADPSA-N 331.456 3.686 0 50 EHAA C[C@H](OC[C@H]1CCCO1)C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 229509884 WJXNSAFYBYNJLL-OFQRWUPVSA-N 331.412 3.536 0 50 EHAA C[C@H](NC(=O)N1CCCC[C@@H]1c1ccnn1C)c1cccc(F)c1F 239653709 BKVQFPBWJDZXFL-BLLLJJGKSA-N 348.397 3.696 0 50 EHAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1cccnc1 248241836 HKILIUQQHGBKRB-KNXALSJPSA-N 345.240 3.825 0 50 EHAA Cn1nccc1[C@@H]1OCC[C@H]1CNCc1cc2ccccc2s1 275565713 OCSSVKDCJILSHA-KBXCAEBGSA-N 327.453 3.502 0 50 EHAA CCCc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)sc1C 299077741 FBDUUQGGRPPUHD-UHFFFAOYSA-N 333.457 3.720 0 50 EHAA Cc1cc2ccccc2n1CC(=O)Nc1cc(-c2nc[nH]n2)ccc1F 344344097 MDNIBCIFIHMSAW-UHFFFAOYSA-N 349.369 3.513 0 50 EHAA Cc1ccc(-c2cncc(F)c2)cc1NC(=O)Nc1cnn(C)c1 374828911 ZFHMDEYSDPCLJH-UHFFFAOYSA-N 325.347 3.574 0 50 EHAA C[C@@H](C(=O)N1CCC(OC2CCCCC2)CC1)[C@H](N)c1ccccc1 408513559 GPWSWKHNXRSPFY-UZLBHIALSA-N 344.499 3.663 0 50 EHAA C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1nccs1 411459349 ZGYDYSLXPINMDJ-SNVBAGLBSA-N 344.358 3.537 0 50 EHAA COc1ccc([C@H](NCc2cccnc2N(C)C)C2CC2)c(F)c1 421822153 VZWFUKFWUPOIHE-GOSISDBHSA-N 329.419 3.536 0 50 EHAA Cc1nn(C)c(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)c1Cl 426438576 IZHOETVCCYIAHM-ZFWWWQNUSA-N 349.837 3.662 0 50 EHAA CO[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(N(C)C)c3)cc2)C1 426727297 BIVXZWYZDWMSSK-HXUWFJFHSA-N 338.451 3.671 0 50 EHAA Cn1cc(CN[C@@H]2CCc3cc(O)ccc3C2)c(C2CCCCC2)n1 683474382 ICLUEWGEWXXYIE-LJQANCHMSA-N 339.483 3.821 0 50 EHAA Cc1ccn2cc(C(=O)N3CCCC[C@@H]3CCc3ccccn3)nc2c1 825240774 BUKMTHGFUCTCSD-GOSISDBHSA-N 348.450 3.665 0 50 EHAA O=C(Nc1c(F)cccc1-n1cccn1)[C@H]1CCOC2(CCCC2)C1 906608663 PJTYURKDQHTGDE-AWEZNQCLSA-N 343.402 3.689 0 50 EHAA CCCCc1cc(Nc2cnn(-c3cnc4ccccc4n3)c2)ncn1 1162987952 QOZKOYRSKGQJLP-UHFFFAOYSA-N 345.410 3.692 0 50 EHAA CCCCCc1nnc(NC(=O)c2cccc3c2CCC3=O)s1 1506417372 QVLFAGKDSHTBNP-UHFFFAOYSA-N 329.425 3.652 0 50 EHAA C[C@@H](c1ccccc1)n1nccc1NC(=O)c1cccc(CN(C)C)c1 1529091975 TVNNKYAJFJLSEQ-INIZCTEOSA-N 348.450 3.806 0 50 EHAA FC(F)(F)Oc1ccc2nc(C(F)(F)Br)[nH]c2c1 1775956232 DWRSOAIJOYKKJC-UHFFFAOYSA-N 331.038 3.906 0 50 EHAA Cc1ccccc1[C@H](C)CC(=O)N[C@@H](CO)c1cccc(Cl)c1 1875255962 SUJSKZXDXWZVCS-KDOFPFPSSA-N 331.843 3.992 0 50 EHAA O=C([C@@H]1CCC=CCCC1)N1Cc2ccccc2O[C@]2(CCOC2)C1 2325770174 NTVFMBGFKGFUNO-DYESRHJHSA-N 341.451 3.703 0 50 EHAA Fc1c[nH]cc(Br)c1=NCCc1cnc2ccccc2c1 2325855465 BQFSHHIILFVTRX-UHFFFAOYSA-N 346.203 3.608 0 50 EHAA CC(C)[C@H](Nc1ncc2c(n1)CCCC2)c1ccc2c(c1)OCCO2 2325865379 AEQFHVGXYYNWHL-IBGZPJMESA-N 339.439 3.936 0 50 EHAA O=C(c1cccc2ncsc12)N1CCCC[C@H]1CCn1cccn1 2356141784 PLXKTCQJULJOSI-AWEZNQCLSA-N 340.452 3.578 0 50 EHAA CCOc1cc(OCC)cc(C(=O)Nc2cccc3nsnc23)c1 104075 LBNBRDHACQKDIX-UHFFFAOYSA-N 343.408 3.741 0 50 EHAA Cc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)O)c1 312683 RATILUUXTZRZDZ-UHFFFAOYSA-N 334.169 3.708 0 50 EHAA CCOC(=O)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 318949 GNTQPOKMAQQMDK-UHFFFAOYSA-N 345.226 3.800 0 50 EHAA COc1cc(NC(=O)COc2ccc3ccccc3c2)cc(OC)c1 443410 HSLSOAPAQWVGLM-UHFFFAOYSA-N 337.375 3.875 0 50 EHAA COc1cc(-c2noc(-c3ccc(C)cc3)n2)cc(OC)c1OC 1190517 UEOOTOKJGAWPCJ-UHFFFAOYSA-N 326.352 3.738 0 50 EHAA Cc1nccn1[C@H](C)CC(=O)Nc1nn(CC2CC2)c2ccccc12 2356134931 JCJKGWFIRKULFD-CYBMUJFWSA-N 337.427 3.541 0 50 EHAA COc1cccc(-c2noc(CCC(=O)Nc3ccccc3C)n2)c1 2877670 QQUKKGOEWGENHP-UHFFFAOYSA-N 337.379 3.625 0 50 EHAA CC1CCN(CCOCCOc2cccc(Br)c2)CC1 3000913 BMFIXXUAPANNDZ-UHFFFAOYSA-N 342.277 3.576 0 50 EHAA CCCCOc1ccc(C(=O)CCN[C@H](C(=O)O)[C@H](C)CC)cc1 4195666 LWUHBOOSZNTMQV-KDOFPFPSSA-N 335.444 3.527 0 50 EHAA Cc1cccc2ncc(CN3CC(Cc4ccc(F)c(F)c4)C3)n12 459627535 KZLOQZLMWSOHGM-UHFFFAOYSA-N 327.378 3.595 0 50 EHAA O=C(CN1C(=O)c2cccc3cccc1c23)N1CCCc2ccccc21 6128140 VJJOPPXSANYSQY-UHFFFAOYSA-N 342.398 3.779 0 50 EHAA Cc1noc(C)c1CN(C)Cc1cnc2c(-c3ccccc3)cnn2c1 67676194 UCXSGHMKLZPXII-UHFFFAOYSA-N 347.422 3.633 0 50 EHAA Cc1ccc2c(Cc3nc(CCc4ccccc4)n[nH]3)cc(=O)oc2c1 65403416 RFDLPLFVVKTXEC-UHFFFAOYSA-N 345.402 3.596 0 50 EHAA COc1ccc(-c2ccc(CN[C@H]3CN4CCC3CC4)o2)cc1Cl 20477314 BZQORBIUJOEMMG-KRWDZBQOSA-N 346.858 3.792 0 50 EHAA C[C@H](Cc1ccccc1F)NCc1ccc(C(=O)N2CCCC2)cc1 65455763 FJNHCJPHPCOGIL-MRXNPFEDSA-N 340.442 3.783 0 50 EHAA CCC(CC)N(C)C(=O)c1cc(CN(C)Cc2ccccc2)on1 67560489 YUGGNICCTLETCI-UHFFFAOYSA-N 329.444 3.567 0 50 EHAA O=C(c1ccco1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 20479553 BBMIIJPBALFQTD-UHFFFAOYSA-N 339.222 3.544 0 50 EHAA NC(=O)c1cccc(NCc2ccc(Sc3ccccn3)o2)c1 351843676 HECQZKTTWPILBJ-UHFFFAOYSA-N 325.393 3.537 0 50 EHAA O=C(Nc1ccccc1-c1ccncc1)N1CCOCC2(CCC2)C1 253419209 KOZCOMXMWWZKBE-UHFFFAOYSA-N 337.423 3.783 0 50 EHAA COc1ccc(C=O)c(COc2c(F)c(F)c(F)c(F)c2F)c1 2114985 IQZFNQLQXWOQAI-UHFFFAOYSA-N 332.224 3.782 0 50 EHAA Cc1cccc2c1N(C(=O)CCc1nc(C3CCCC3)no1)CCC2 128368930 UPXGGHRKRPLSDF-UHFFFAOYSA-N 339.439 3.948 0 50 EHAA COc1ccc(-n2ccnc2-c2nc(-c3cccs3)oc2C)cn1 72168321 LLNVLAHLXWDFOF-UHFFFAOYSA-N 338.392 3.968 0 50 EHAA CCN(c1ccc(Cl)cc1F)S(=O)(=O)c1sc(C)nc1C 331265051 HCKFTNYWXAWEID-UHFFFAOYSA-N 348.852 3.768 0 50 EHAA Cc1cc(C)nc(CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)c1 72435397 IGUIDDXKQREAMX-UHFFFAOYSA-N 340.467 3.674 0 50 EHAA Cc1ccc(Oc2ccccc2)c(NC(=O)N2CC[C@H](C(=O)O)C2)c1 263058041 OBIIJVGONMWNDX-AWEZNQCLSA-N 340.379 3.726 0 50 EHAA Cc1cc(C)cc(Oc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 40451247 HRMHHNNXVGSQJJ-AWEZNQCLSA-N 325.364 3.533 0 50 EHAA COc1ccc(OC)c([C@H](C(=O)O)N(C)Cc2ccccc2Cl)c1 95386475 VPCNIPFOHYIGOH-QGZVFWFLSA-N 349.814 3.615 0 50 EHAA Cc1nc2ccc(C(=O)N[C@@H](C)Cc3ccsc3)cc2nc1C 92081305 ZQHRUXZGTCVABU-NSHDSACASA-N 325.437 3.669 0 50 EHAA O=C(CSc1nc2ccccc2[nH]1)Nc1cccc2cccnc12 334162958 JEYUGFKZVRBDFB-UHFFFAOYSA-N 334.404 3.842 0 50 EHAA COCCN(Cc1ccsc1)C(=O)Nc1cc(C)nn1C(C)C 96140651 QTBJZQXKJCHWGC-UHFFFAOYSA-N 336.461 3.514 0 50 EHAA c1ccc(CN2CCC[C@@H]2CN(Cc2nccs2)C2CC2)cc1 252485536 GXWXZHHKZHXYPT-GOSISDBHSA-N 327.497 3.772 0 50 EHAA CC(C)(C)OC(=O)NCc1nc(C23CC4CC(CC(C4)C2)C3)no1 255189478 QBXMDGUPFDVBCE-UHFFFAOYSA-N 333.432 3.562 0 50 EHAA Cc1nc(C(=O)Nc2ccc(F)cc2F)nn1-c1cccc(Cl)c1 261490540 FRMOLBBWNSKPMU-UHFFFAOYSA-N 348.740 3.760 0 50 EHAA CS(=O)(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1 34658649 VVEKYBWQOSAVMZ-UHFFFAOYSA-N 328.311 3.502 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)NC1CCN(c2ccccc2)CC1 299756129 CNBVZTVJWAGJSI-UHFFFAOYSA-N 343.496 3.974 0 50 EHAA Nc1nnc(CCNC(=O)Nc2ccc(C3CCCCC3)cc2)s1 299786750 QHQOJWPSVKVXHT-UHFFFAOYSA-N 345.472 3.532 0 50 EHAA Cc1c(NC(=O)C[C@H]2CCc3ccccc32)cccc1-c1nncn1C 827807459 YQLIGUFVCAJVJJ-MRXNPFEDSA-N 346.434 3.849 0 50 EHAA Cc1nc(C(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)cs1 825317540 VSIKYNNGMQQQKW-OAHLLOKOSA-N 332.425 3.652 0 50 EHAA CC[C@@H](NC(=O)N(C)Cc1cc(C)cc(C)n1)c1ccc(OC)cc1 584896050 POVGWOXXQDTHSR-LJQANCHMSA-N 341.455 4.000 0 50 EHAA Cc1cc2ccccc2n1CCNCc1cc(CN(C)C)cs1 952980303 GKAGPSBVRXBNQH-UHFFFAOYSA-N 327.497 3.863 0 50 EHAA CC1=C(CNC[C@H](c2ccccn2)N2CCOCC2)C(C)(C)CCC1 952974163 YNZJNBLFOBRNLC-HXUWFJFHSA-N 343.515 3.571 0 50 EHAA COC(=O)c1cc(-c2ccc(F)cc2)nn1-c1ccc(F)cc1F 95100068 IKGJNDNLRZXVEV-UHFFFAOYSA-N 332.281 3.743 0 50 EHAA in-vitro COc1cc(NC(=O)NC[C@@]2(C)CC2(F)F)cc(Cl)c1OC 667287595 MMHORFSGUGGZTK-CYBMUJFWSA-N 334.750 3.524 0 50 EHAA Cn1c(=O)oc2ccc(NC(=O)C[C@H]3CCCc4ccccc43)cc21 170991429 HQOQCKFZRHFQFB-CQSZACIVSA-N 336.391 3.580 0 50 EHAA CCCN1C[C@H](NCc2ccc(SC3CCCCC3)o2)CC1=O 1506396788 KJBMYZNELZCMRX-CQSZACIVSA-N 336.501 3.805 0 50 EHAA CSc1cccc(CN(C(=O)c2ccc(N(C)C)nc2)C(C)C)c1 1506413671 JUTGXCPMMXPGQG-UHFFFAOYSA-N 343.496 3.920 0 50 EHAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc(F)c1 5451163 LXUKYOZAKWRASD-UHFFFAOYSA-N 339.370 3.846 0 50 EHAA CC(C)Cc1n[nH]c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)n1 5563305 KTHWCQWZTGMQPU-JTQLQIEISA-N 338.864 3.776 0 50 EHAA C[C@H]1CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C[C@@H](C)O1 12377869 QBWOAWBMDYYGON-GASCZTMLSA-N 337.485 3.532 0 50 EHAA Cc1cc(CNC(=O)CN2Cc3ccccc3C2)c2[nH]c(C)c(C)c2c1 12443753 KXCUOUQDKKYFAN-UHFFFAOYSA-N 347.462 3.725 0 50 EHAA Clc1ccccc1CN1CCc2nnc(-c3ccccc3)n2CC1 19335140 LWMRDBMBHAESEF-UHFFFAOYSA-N 338.842 3.657 0 50 EHAA O=C(Cc1c[nH]c2ccccc12)NCc1cnoc1-c1ccc(F)cc1 169751134 NJFCPRPRQIAKES-UHFFFAOYSA-N 349.365 3.821 0 50 EHAA Cc1c(Cl)cccc1NC(=O)c1n[nH]nc1-c1ccc(F)cc1 206651445 OSJGTFLUJRNBJV-UHFFFAOYSA-N 330.750 3.825 0 50 EHAA c1ccc(-n2nccc2-c2nccn2CCCNc2cccnc2)cc1 1857689660 URXROZZUTKEPEE-UHFFFAOYSA-N 344.422 3.633 0 50 EHAA c1ccc(COCCCCN2CCc3[nH]nc(C4CC4)c3CC2)cc1 1857728016 JPLWZSSSNMBLOZ-UHFFFAOYSA-N 339.483 3.685 0 50 EHAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccc(Cl)c(Cl)c1 2575636 WJEUUKADFJNOHW-JTQLQIEISA-N 348.226 3.904 0 50 EHAA in-vitro COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cccc(-c2ncc[nH]2)c1 225608604 AVRJOSOMJZWWHQ-ZWKOTPCHSA-N 347.418 3.505 0 50 EHAA Cc1nc([C@H](C)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n[nH]1 331397890 GPCDAAKHZWLGDO-CABZTGNLSA-N 341.242 3.634 0 50 EHAA Cc1ocnc1C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 457356957 IGAYXSAJYJTPIB-CQSZACIVSA-N 344.802 3.880 0 50 EHAA CCC[C@@]1(C(F)(F)F)CCCN1C(=O)C[C@H](C)N1CCCCC1=O 253393192 WFAXDFADNWECBR-BBRMVZONSA-N 348.409 3.501 0 50 EHAA Cc1cc(OCC(=O)Nc2c(C)ccnc2C)ccc1Br 905433929 CRAWWQBYOUFAJH-UHFFFAOYSA-N 349.228 3.787 0 50 EHAA COc1ccc(COCCN2CCC[C@H]2c2cncc(C)c2)cc1 879748074 YCSOKONOWVQPOT-FQEVSTJZSA-N 326.440 3.752 0 50 EHAA N[C@H](C(=O)N[C@H](c1cccc(Cl)c1)c1ccccc1Cl)C1CC1 2325828192 AIQBJDBDWHXUOO-DLBZAZTESA-N 349.261 3.936 0 50 EHAA COc1ccc(CN)cc1C(=O)Nc1ccc2c(C)cc(C)cc2n1 2325828215 BDJZMXFJTLHUJP-UHFFFAOYSA-N 335.407 3.571 0 50 EHAA COc1cccc(CNC(=O)NC[C@H]2CCCc3ccccc32)c1F 2325842750 HHUXGGLHBLTMMO-OAHLLOKOSA-N 342.414 3.754 0 50 EHAA CCOc1ccccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O 124397 MBOSLJJAFXHOQG-MRXNPFEDSA-N 342.420 3.527 0 50 EHAA CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3F)coc2c1C 302572 SYKYXBQKJQMBPW-UHFFFAOYSA-N 328.295 3.958 0 50 EHAA COc1cc(OC)c(NC(=O)COc2cc(C)cc(C)c2)cc1Cl 307767 VNWFHUOKFGKHQW-UHFFFAOYSA-N 349.814 3.992 0 50 EHAA Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccccc1Cl)N2 524898 QERNRJXGSNPFPY-CABCVRRESA-N 343.793 3.799 0 50 EHAA COc1cc(NC(=O)COc2cc(C)ccc2C)c(OC)cc1Cl 858919 OALCCZLYVOIVBC-UHFFFAOYSA-N 349.814 3.992 0 50 EHAA O=C(Nc1ncn(Cc2ccccc2Cl)n1)c1cccc(Cl)c1 1053837 QUGHTZRLXWLSPV-UHFFFAOYSA-N 347.205 3.886 0 50 EHAA CCCOc1cccc(C(=O)NC(=S)Nc2ccc(F)cc2)c1 3002960 KWJBNZLTQOMLRW-UHFFFAOYSA-N 332.400 3.741 0 50 EHAA CCOc1cccc(OCCCCn2cnc3ccccc3c2=O)c1 3003833 BMBDSBHIOUNEBI-UHFFFAOYSA-N 338.407 3.654 0 50 EHAA C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 3602898 GHMLZCJJLQGRDN-LLVKDONJSA-N 333.771 3.517 0 50 EHAA Cc1cc(C)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1 6715927 KUEBEEJUGNMQKV-UHFFFAOYSA-N 326.415 3.713 0 50 EHAA CS(=O)(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 6730174 NPHORDLDVBWEEH-ZDUSSCGKSA-N 340.857 3.512 0 50 EHAA Cc1cc(C)c(NC(=O)CSc2nc3ccncc3[nH]2)c(C)c1 6752352 SWWINBLIKAPGSG-UHFFFAOYSA-N 326.425 3.614 0 50 EHAA COc1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1 55031635 MHEOIFFQVLXZTF-UHFFFAOYSA-N 346.858 3.679 0 50 EHAA Cc1cccc(OCCCN(C)C(=O)CCc2c(C)n[nH]c2C)c1C 55072518 YDYQHKSNMPZQQQ-UHFFFAOYSA-N 343.471 3.503 0 50 EHAA CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@H](O)c1ccccc1Cl 133629046 JPPWGHUYQVYTIQ-SFHVURJKSA-N 341.842 3.896 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2F)cc1C 20252315 KSFJXYYBBZMIDV-GOSISDBHSA-N 340.398 3.686 0 50 EHAA CCOCCOc1cccc(C(=O)Nc2ccnn2[C@H](C)C(C)C)c1 55344623 BAFMDQXBKCGDTC-OAHLLOKOSA-N 345.443 3.768 0 50 EHAA COc1ccc(-c2ccc(C)c(NC(=O)c3nc(C)oc3C)c2)cn1 353236080 RWHKTRUTDCQIAA-UHFFFAOYSA-N 337.379 3.923 0 50 EHAA COCCOc1ccccc1NC(=O)N1CC[C@@H](c2ccccc2)C1 120874552 PKBIPVSSSPVBAO-QGZVFWFLSA-N 340.423 3.733 0 50 EHAA C[C@H]1CCCCN1C1CN(C(=O)c2[nH]c3ccccc3c2Cl)C1 215019833 ZGGVCUVGVIDVKO-LBPRGKRZSA-N 331.847 3.520 0 50 EHAA CC[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)c1nccs1 219830941 RIIUDOBQKAWFSI-GFCCVEGCSA-N 328.359 3.972 0 50 EHAA CSc1cccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1C 253418027 UZUYPOCFNXNSRI-KSSFIOAISA-N 334.485 3.876 0 50 EHAA Cc1cccc(SC2CCN(C(=O)[C@@H](C)Cn3cccn3)CC2)c1 77517278 JYHDODBVNXCGQQ-INIZCTEOSA-N 343.496 3.611 0 50 EHAA O=C(CCC(F)(F)F)N1CCC[C@H](COc2cccc(F)c2)C1 77488685 WDMNLHMUEDTFDA-LBPRGKRZSA-N 333.325 3.786 0 50 EHAA O[C@@]1(c2ccccc2)CCN(Cc2cnc(C3CCCCC3)nc2)C1 215489375 BLGPUAVQXXPTAN-NRFANRHFSA-N 337.467 3.618 0 50 EHAA O=C1CC[C@]2(CCCO2)CCN1Cc1cc(F)cc(C(F)(F)F)c1 72149943 PRQLVLVHOBVMDO-MRXNPFEDSA-N 345.336 3.906 0 50 EHAA O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1C[C@H]2C3CCC(CC3)[C@H]2C1 71756971 QQOFVIHLZKSIDK-GNSZPUGASA-N 348.446 3.550 0 50 EHAA O=C(c1ccncc1Br)N1CCCSc2ccccc21 127427467 DFDMFCITYAHQHX-UHFFFAOYSA-N 349.253 3.987 0 50 EHAA Cc1ccc2c(c1)[C@@H](NC(=O)Nc1c(C)cc(N(C)C)cc1C)CO2 156735947 MBAWDOIADIQFIB-KRWDZBQOSA-N 339.439 3.933 0 50 EHAA C[C@H](N)[C@@H](C)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 261873051 VLRKFIQZYBHASW-KGLIPLIRSA-N 347.422 3.585 0 50 EHAA CCN1CCC[C@@H]1CNC(=O)Cc1coc2cc(C)c(Cl)cc12 215308830 FQZAYLLIESGHNE-CQSZACIVSA-N 334.847 3.538 0 50 EHAA O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 241738512 QYDNSIZCDWHQPW-IVJVFBROSA-N 345.870 3.824 0 50 EHAA Cc1ccc(C)c(-c2[nH]ncc2CN2CCC(c3nccn3C)CC2)c1 215310420 WQHWJBUDRPBZNS-UHFFFAOYSA-N 349.482 3.807 0 50 EHAA Cc1ccc(CN(C(=O)c2ccc(C(=O)O)c(C)n2)C2CC2)cc1C 263308573 FWFFBVCPFXGKQD-UHFFFAOYSA-N 338.407 3.510 0 50 EHAA O=C(NC1CCN(C2CCCCC2)CC1)c1cc2ccccc2o1 177257426 QMGWVDWBWVNESJ-UHFFFAOYSA-N 326.440 3.960 0 50 EHAA O=C1N(CC2CC2)CCC[C@@]12CCN(Cc1cccc(Cl)c1)C2 91575360 BDXLJLYTOBYRGH-IBGZPJMESA-N 332.875 3.565 0 50 EHAA Cc1nc(C(=O)N(CCc2ccccc2)Cc2ccco2)cs1 96148194 VTEAIYBCHIAUDZ-UHFFFAOYSA-N 326.421 3.930 0 50 EHAA CC(C)[C@@H]1CN(Cc2cnc(C3CCCCC3)nc2)C[C@H]1N(C)C 95518560 YRSYUGOIUXDGBQ-RBUKOAKNSA-N 330.520 3.542 0 50 EHAA Cc1cc(Cl)cc(Cl)c1CN=c1cc([C@@H]2CCOC2)nc[nH]1 426612603 IHENPPINVYHSGA-LLVKDONJSA-N 338.238 3.630 0 50 EHAA CN1CCCCC[C@@H]1C(=O)N(Cc1cccnc1)Cc1ccsc1 95356221 GUTSYZWXZMHQSF-GOSISDBHSA-N 343.496 3.546 0 50 EHAA Cc1cccc2c(CCC(=O)N3CCC[C@@H](CCC(=O)O)C3)c[nH]c12 237760290 JJKVYRMVUUVGCB-HNNXBMFYSA-N 342.439 3.512 0 50 EHAA COC(=O)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 97756940 LQGACBFZBXVHOT-UHFFFAOYSA-N 349.049 3.613 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1cccs1 180294505 PWOHRJZKHXHNBJ-HNNXBMFYSA-N 332.473 3.915 0 50 EHAA CCOc1cc(C(C)C)c(S(=O)(=O)Nc2ccccn2)cc1C 256029764 DWTFVXQHRJVISZ-UHFFFAOYSA-N 334.441 3.713 0 50 EHAA C[C@@H]1C[C@@H](C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CCO1 271910874 SAOHLTDLVGUHOD-HIFRSBDPSA-N 335.407 3.984 0 50 EHAA Cc1ccc(-c2n[nH]cc2CNc2ccc(-c3ncn(C)n3)cc2)cc1 170597262 QTLJCHVHBPAEAJ-UHFFFAOYSA-N 344.422 3.793 0 50 EHAA O=C(NCc1ccc(O)nc1)C1(Cc2cccc(Cl)c2)CCCC1 170639029 KDYLTGAAJDVUKC-UHFFFAOYSA-N 344.842 3.860 0 50 EHAA Cc1[nH]c2ccccc2c1C1CCN(C(=O)CCc2ccncn2)CC1 191780117 BXGHEDHJKPJLMV-UHFFFAOYSA-N 348.450 3.605 0 50 EHAA O=C1CC[C@@H](NCc2ccc(Cl)c(Cl)c2)CCN1CC1CC1 1506396180 QBIZVGAZUBOGQM-CQSZACIVSA-N 341.282 3.874 0 50 EHAA Cc1ccoc1C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 12317450 ADXIOHGQOAPZQN-UHFFFAOYSA-N 341.798 3.830 0 50 EHAA COc1cc(N[C@@H](C)CCc2ccc(O)cc2)cc(OC)c1OC 12383414 XIJFWHPCETZRBS-ZDUSSCGKSA-N 331.412 3.851 0 50 EHAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)NC1CCCCC1 15062760 QMFIWNQZCKYYFG-AWEZNQCLSA-N 339.443 3.540 0 50 EHAA Cc1cc(C)c(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1C 16676214 DKIJKHDZDRPPGY-GRSHGNNSSA-N 348.471 3.999 0 50 EHAA O=C(/C=C/c1cccc(Br)c1)NCc1ccc(F)cc1 2506086 RKRATSSZBOAODW-RMKNXTFCSA-N 334.188 3.918 0 50 EHAA COc1ccc(CCNc2ncnc3sc(C)c(C)c23)cc1OC 87381 DTGXBKSYGGIECV-UHFFFAOYSA-N 343.452 3.980 0 50 EHAA C[C@H](CC(=O)N1CC[C@H](N)C[C@H]1C)c1ccccc1C(F)(F)F 408519163 KYBTUTIUMIJNER-UPJWGTAASA-N 328.378 3.537 0 50 EHAA Cc1oc2ncnc(NC(=O)[C@@H]3CCC(=O)c4ccccc43)c2c1C 225447834 BHTFPMKPKLRHLM-CQSZACIVSA-N 335.363 3.538 0 50 EHAA Cc1cnccc1NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 122038442 HVGZUQAUHKHKTN-INIZCTEOSA-N 338.455 3.737 0 50 EHAA C[C@H](NC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1nc2ccccc2[nH]1 332926198 QQOVUMFGCRHILA-LJISPDSOSA-N 326.444 3.892 0 50 EHAA O=C(Nc1cc(Br)ccn1)N[C@H](c1ccncc1)C1CC1 931089527 BDYMXPHULAPZGM-AWEZNQCLSA-N 347.216 3.512 0 50 EHAA Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@H](n2cncn2)C1 931991116 FSBIRMYYEGOVPI-KRWDZBQOSA-N 346.434 3.731 0 50 EHAA COc1cc(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)ncn1 935335281 OREKATZWKJLSQO-VFNNOXKTSA-N 343.452 3.645 0 50 EHAA O=C(O)c1ccc(C(=O)N[C@@H]2CSc3ccccc32)c(Cl)c1 1875334731 BCSUIFMVMNWCNR-CYBMUJFWSA-N 333.796 3.615 0 50 EHAA C[C@@H]1[C@H](NC(=O)c2cccnc2)CCCN1Cc1ccccc1Cl 1875302973 PPESTHQSDUKDBG-RDTXWAMCSA-N 343.858 3.518 0 50 EHAA CC(=O)Nc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)nc1 1320073489 CSUPDENZSYSCOJ-UHFFFAOYSA-N 341.386 3.630 0 50 EHAA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 619329 DHHKDVRFWHKBKY-UHFFFAOYSA-N 333.409 3.514 0 50 EHAA O=C(c1scc2c1CCCC2)N1CCN(Cc2ccccc2)CC1 19848796 SYVSDDXKXZVSJT-UHFFFAOYSA-N 340.492 3.585 0 50 EHAA CC1CCN(C(=O)NCC2CCN(c3ccc(Cl)cc3)CC2)CC1 2325900139 MGLBGTSYHDPLQS-UHFFFAOYSA-N 349.906 3.998 0 50 EHAA COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CC[C@@H](C)C2 64654 FOZWQDASVSXMSS-SNVBAGLBSA-N 349.477 3.902 0 50 EHAA CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1C 64672 RHMYLSCYCYSANN-UHFFFAOYSA-N 333.409 3.803 0 50 EHAA COc1cc(C)c(CN2CCN(c3ccc(F)cc3)CC2)cc1C 292167 XNLNTDYKOIVBSS-UHFFFAOYSA-N 328.431 3.773 0 50 EHAA O=C(Nc1sc2c(c1C(=O)N1CCCC1)CCCC2)c1ccco1 2615843 LJUHATAVIMNRRB-UHFFFAOYSA-N 344.436 3.708 0 50 EHAA Fc1ccc(N2CCN(CC[C@H]3OCCc4ccccc43)CC2)cc1 3812549 UKOCGOXTVCIACM-OAQYLSRUSA-N 340.442 3.652 0 50 EHAA in-vitro CCOc1ccc(Cl)cc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3 4810984 ZGNPIRLGZNIEBK-LLVKDONJSA-N 345.782 3.942 0 50 EHAA CC[C@@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccccc1 4814519 IENFCYKXYIXLOS-OAHLLOKOSA-N 329.396 3.845 0 50 EHAA COc1ccccc1OCCN1CCC(C(=O)c2ccccc2)CC1 51379568 DFKKTIMLHAWQBQ-UHFFFAOYSA-N 339.435 3.669 0 50 EHAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1nc(Cl)ccc1Cl 247723325 BXBYAUZULNCBMQ-ATFQUMLSSA-N 325.239 3.943 0 50 EHAA C[C@H](CNC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccccc1 67540696 GNSMFNPHNIFGOE-OAHLLOKOSA-N 335.407 3.522 0 50 EHAA Cc1cccc(C)c1Oc1ncccc1CNc1ccc(C(N)=O)cn1 20234013 SIGAZTXAHLSNEM-UHFFFAOYSA-N 348.406 3.597 0 50 EHAA Clc1ccccc1-c1ccc(CNc2ncnc3c2CCNC3)o1 67675900 RHPBAFRRAJSNFS-UHFFFAOYSA-N 340.814 3.648 0 50 EHAA C[C@H](Cc1cccs1)NCCC(=O)N1CCCc2ccccc21 65403746 SLLUZCKLSAEOFJ-OAHLLOKOSA-N 328.481 3.638 0 50 EHAA COc1ccc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccncc2F)cc1 253392313 UIWBEKRJDUTKLH-SCLBCKFNSA-N 343.402 3.837 0 50 EHAA Cc1cnc(C)c(N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)n1 67654976 FBWSNRJKRZCAJO-IBGZPJMESA-N 345.874 3.568 0 50 EHAA CCCC[C@H]1CN(CCC(=O)N[C@@H](C)CC)Cc2ccccc2O1 11870247 MPTABDQFUILGFO-WMZOPIPTSA-N 332.488 3.745 0 50 EHAA Cc1nn(C)cc1-n1c(S)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 2792713 QLPAOHKFUILJPP-OLZOCXBDSA-N 345.859 3.522 0 50 EHAA CSCCN1CCN(Cc2ccc(-c3ccc(C)o3)cc2)CC1 215278736 FICNUOZYTNGSRR-UHFFFAOYSA-N 330.497 3.736 0 50 EHAA Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)s1 257365816 QAWMKRMGHRCNKT-OAGGEKHMSA-N 343.496 3.874 0 50 EHAA CC(C)(C)Oc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1 156057632 FFJHYYFHQOSKHC-UHFFFAOYSA-N 343.471 3.732 0 50 EHAA COc1ccc(CNC2CCCC2)cc1-c1cc(N)nc2[nH]ccc12 72147910 VCSUXQCYUMWLGY-UHFFFAOYSA-N 336.439 3.853 0 50 EHAA CC1(C)C[C@@H](CN2CCCN(Cc3ccccc3F)CC2)CCO1 72127345 AYCRXVAKLJHQQE-KRWDZBQOSA-N 334.479 3.539 0 50 EHAA O=C(c1ccccc1)[C@@H]1CCCN([C@@H]2CCN(c3ccccc3)C2)C1 32561063 SCUUTEDYFUSFSY-TZIWHRDSSA-N 334.463 3.860 0 50 EHAA c1ccc(COC2CCN(Cc3cnc(-c4ccco4)nc3)CC2)cc1 72170449 QJMYDYIFQNLKJQ-UHFFFAOYSA-N 349.434 3.918 0 50 EHAA COc1cccc([C@H]2CCCN2C(=O)c2cnc(C(C)C)nc2C)c1 82147466 GHECKGXWGQVNGP-GOSISDBHSA-N 339.439 3.894 0 50 EHAA CCC(CC)n1ncc(C(=O)Nc2ccc(O)cc2COC)c1C 458066412 SCXUEMIFHCTQIW-UHFFFAOYSA-N 331.416 3.657 0 50 EHAA COC[C@H]1CCCN(C(=O)NCc2ccc(C(F)F)cc2)CC1 458652979 PMTYHVCUWMOTEY-AWEZNQCLSA-N 326.387 3.582 0 50 EHAA O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCCC[C@@H]1c1cccnc1 91412357 KPBXBCDTMSVTLB-GOSISDBHSA-N 348.406 3.545 0 50 EHAA Cc1cc(N2CCC[C@H](CCC(=O)N(C)C)C2)nc2ccc(F)cc12 96148738 WTJSNDSCFDEVDK-OAHLLOKOSA-N 343.446 3.767 0 50 EHAA Cc1cc([C@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)no1 92081830 OUTYYROGJCKSBT-GOSISDBHSA-N 336.395 3.741 0 50 EHAA COc1ccccc1-c1ncc(Cn2c(=O)[nH]c3ccccc32)s1 95505357 JCOYWGGAROKLOI-UHFFFAOYSA-N 337.404 3.510 0 50 EHAA Cc1ccc2nc(C(=O)N(C)[C@H](C)c3nc(C)sc3C)cn2c1 91849425 CAZZIZDPWGPNKD-LLVKDONJSA-N 328.441 3.549 0 50 EHAA O=C(c1ccc(C(F)(F)F)cc1O)N(Cc1ccccn1)C1CC1 182007054 VGAOONGKIQDTMZ-UHFFFAOYSA-N 336.313 3.611 0 50 EHAA CCN(C(=O)c1cc(C)n(-c2ccccc2Cl)n1)c1cccnc1 183469744 SJEBTRSGJZJREI-UHFFFAOYSA-N 340.814 3.896 0 50 EHAA c1ccc([C@H]2OCC[C@@H]2c2nnc(Cn3ncc4ccccc43)o2)cc1 299743751 MAJHDIZCUFVHSW-QFBILLFUSA-N 346.390 3.713 0 50 EHAA CCn1c(C)cc2cc(NC(=O)N[C@@H](C)Cc3cnccn3)ccc21 299790626 BLTGFDHUBYYTOT-ZDUSSCGKSA-N 337.427 3.512 0 50 EHAA CCOc1ccccc1NC(=O)N1CC[C@](O)(c2ccccc2C)C1 299756264 FMSUALJXXYCDER-HXUWFJFHSA-N 340.423 3.519 0 50 EHAA O=C(NCCc1nccc(-c2ccccc2)n1)[C@H]1C[C@@H]1c1ccccc1 1565509174 POHIRAAUJRDKPP-MOPGFXCFSA-N 343.430 3.606 0 50 EHAA CCCC(O)(CCC)CC(=O)Nc1ccc(N=S(C)(C)=O)cc1 408518329 AUPAQMSBDBVCNR-UHFFFAOYSA-N 340.489 3.706 0 50 EHAA Cc1ccc(NC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)c(C)n1 185398524 VEJIZFQOAWCPNQ-QGZVFWFLSA-N 345.830 3.957 0 50 EHAA O=c1cc(CN2Cc3ccccc3C3(CC3)C2)c2ccc(O)cc2o1 186180047 OCGSPFVSVMNFBG-UHFFFAOYSA-N 333.387 3.546 0 50 EHAA COc1ccc2cc(NC(=O)N3CCc4ccccc4CC3)ccc2n1 170629360 ZGVBSHKAYAJMGN-UHFFFAOYSA-N 347.418 3.876 0 50 EHAA O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)[C@H]1CCCOC1 170796621 ZCBMURJXGHHEKA-LBPRGKRZSA-N 332.787 3.892 0 50 EHAA O=C(Nc1cn(Cc2ccccc2)nn1)c1cc2c(s1)CCCC2 187024345 LDGYBWIBAXSYCV-UHFFFAOYSA-N 338.436 3.519 0 50 EHAA O=C1CC(c2cc(Br)ccc2O)=Nc2ccccc2N1 100493582 YBRVBCGGIDKHLD-UHFFFAOYSA-N 331.169 3.618 0 50 EHAA Cc1cccc(CN(CC[C@@H]2CCS(=O)(=O)C2)C2CCCCC2)c1 1529189737 WNOGCMGLMFYDRG-GOSISDBHSA-N 349.540 3.955 0 50 EHAA CN(C)C(=O)c1ccc(NCC2(c3ccccc3F)CCCC2)nc1 1529147454 ZQIQHYTZZDEGAB-UHFFFAOYSA-N 341.430 3.846 0 50 EHAA COc1cccc(OC)c1-c1nccn1-c1ccc2c(c1)C[C@@H](C)O2 1772704852 LTYWWJYSFHDWQJ-CYBMUJFWSA-N 336.391 3.880 0 50 EHAA O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2ccncc2)c1 12406073 BRSNPDVVOZDSQV-UHFFFAOYSA-N 345.402 3.905 0 50 EHAA Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1Cl 14399428 YKJXNMRZNGHNMN-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA O=C(Cc1noc(-c2cccnc2)n1)Nc1cc(Cl)cc(Cl)c1 16579789 IZXFBCNKHDVECM-UHFFFAOYSA-N 349.177 3.620 0 50 EHAA CCOC(=O)[C@H](C(=O)NCc1ccc(Cl)cc1)C1CCCCC1 18195223 XZKRVLXOVXSVJL-INIZCTEOSA-N 337.847 3.716 0 50 EHAA COc1cccc(C2(F)CCN(C(=O)c3scnc3C)CC2)c1 225597108 MTKPMMTWPRNPBJ-UHFFFAOYSA-N 334.416 3.561 0 50 EHAA O=C(Nc1cncc(F)c1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 455367496 BPYQEZFZZARLPN-OAHLLOKOSA-N 335.766 3.559 0 50 EHAA Cc1noc(C)c1[C@H](C)CC(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 245552228 PNMCOHZUWSHCEH-LBTNJELSSA-N 342.439 3.774 0 50 EHAA CCNC(=O)N1CCc2ccc(N[C@@H](c3ccccn3)C3CC3)cc21 903146154 CPAAQHHCZQIZNJ-LJQANCHMSA-N 336.439 3.737 0 50 EHAA Cc1c(NC(=O)N[C@H](c2ccccn2)C2CC2)cnn1-c1ccccc1 930471757 FTZNPMQMLUINIQ-IBGZPJMESA-N 347.422 3.849 0 50 EHAA C[C@@H](NC[C@](C)(O)c1ccsc1)c1cc(-c2ccccc2)no1 863982689 YSZNJQHONSPHND-ACJLOTCBSA-N 328.437 3.961 0 50 EHAA CC(C)C[C@H]1CCCC[C@H]1NC(=O)c1cc(N2CCCCC2)ncn1 1875357317 BGWFUWQFHHOXIN-IAGOWNOFSA-N 344.503 3.802 0 50 EHAA Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(F)cc4ccoc34)C2)nc1 899675938 IYHAVSOABKSWAF-OAHLLOKOSA-N 340.354 3.569 0 50 EHAA COc1ccc(CNc2ccc3[nH]ncc3c2)cc1Br 23283292 QYOXUNWBBUCHQQ-UHFFFAOYSA-N 332.201 3.946 0 50 EHAA CC(C)N1CCC[C@]2(CCCN2C(=O)Nc2cccc(Cl)c2)C1=O 2100534460 JKUMEJFHACCMHQ-SFHVURJKSA-N 349.862 3.737 0 50 EHAA CC(C)(C)OC(=O)c1ccc(NC(=O)c2cnc(N)c(Cl)c2)cc1 2325717723 GIZPEDNCNSPVCW-UHFFFAOYSA-N 347.802 3.525 0 50 EHAA Fc1cc(F)cc(-c2nsc(N3CCC[C@H](C(F)F)C3)n2)c1 2325775653 XCBMQZOATQAVAJ-QMMMGPOBSA-N 331.338 3.965 0 50 EHAA Cc1cnc(Cl)cc1NC(=O)N=c1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH][nH]1 2325840499 CMYNVEJRACGRNK-SDDRHHMPSA-N 345.834 3.736 0 50 EHAA CN1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 38313 PUTHMEDLACMYEX-UHFFFAOYSA-N 342.443 3.639 0 50 EHAA COc1ccc(C(=O)N2CCc3ccccc32)cc1Br 38882 DFZLIWNEWKHSFE-UHFFFAOYSA-N 332.197 3.661 0 50 EHAA COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC 56555 XQYZDYMELSJDRZ-UHFFFAOYSA-N 339.391 3.860 0 50 EHAA biogenic,world O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2)N1 186648 PWUCZOIMMZEDLA-HOTGVXAUSA-N 326.783 3.510 0 50 EHAA biogenic,in-vitro COc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)C(C)C 570408 WVOKLZFJMXBKGP-UHFFFAOYSA-N 330.359 3.681 0 50 EHAA C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)OCCO2 2746139 ZWSDOYPMKGWGJT-LLVKDONJSA-N 333.771 3.517 0 50 EHAA CN(C)CCNC(=O)CC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 2849742 KSZULVLHQDYTAK-OTXOEQGISA-N 340.511 3.593 0 50 EHAA Cc1ccc(C)c(S(=O)(=O)Nc2cccc(Br)c2)c1 7052604 QEMIDJCCCSDOBQ-UHFFFAOYSA-N 340.242 3.867 0 50 EHAA C[C@H]1c2ccsc2CCN1C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 222028111 KLEKXESOEDLSHB-BVZIGLSBSA-N 345.508 3.915 0 50 EHAA Fc1ccc([C@@H]2C=C(c3ccc(F)c(F)c3)Nc3ncnn32)cc1 100716200 ULAFEGBGAIOAQL-INIZCTEOSA-N 328.297 3.751 0 50 EHAA COc1ccccc1-c1nnc(NC(=O)Nc2ccccc2F)s1 8768721 KUSQIUJEIFWPTH-UHFFFAOYSA-N 344.371 3.997 0 50 EHAA CCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cnc2ccccc2n1 225506316 CNDNOJDFNIEZOB-IBGZPJMESA-N 348.381 3.857 0 50 EHAA Cn1ncc(COc2cccc(N3CCCC3)c2)c1C(F)(F)F 225825643 YADMSDUNHRSODR-UHFFFAOYSA-N 325.334 3.618 0 50 EHAA CC[C@@H](C)N(Cc1ccsc1)C(=O)CCn1nnc2ccccc21 55195539 PTUQHVMEKORYOX-CQSZACIVSA-N 342.468 3.710 0 50 EHAA COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(O)c(C)c2)CC(=O)N3)c1 65532121 XCNUCTNYKYQMLV-HNNXBMFYSA-N 349.390 3.573 0 50 EHAA NC[C@H]1Cc2cc(Cl)cc(-c3ccc(-c4ccccc4)nn3)c2O1 67691618 LJDLITAENUQZKS-OAHLLOKOSA-N 337.810 3.726 0 50 EHAA CCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccccc1 65331102 UDSBOOCBRWWMKT-INIZCTEOSA-N 333.391 3.745 0 50 EHAA c1ccc(Cn2ccnc2-c2ccc(Oc3ncccn3)cc2)nc1 67649706 SZPJNVKXIYTRTL-UHFFFAOYSA-N 329.363 3.576 0 50 EHAA Cc1nc(N2CCOCC2)ccc1NCc1ccc([C@@H]2C[C@@H]2C)o1 119985127 LREMBTKKDJVNSB-XJKSGUPXSA-N 327.428 3.555 0 50 EHAA CCc1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 33088842 CQIASNFONCFCLV-ZDUSSCGKSA-N 332.403 3.933 0 50 EHAA Cc1ccc(-c2cc(NC(N)=S)n(-c3ccc(F)cc3F)n2)cc1 215855195 ATKWLSVWCRYNCG-UHFFFAOYSA-N 344.390 3.781 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1ccccc1C(F)(F)F 215578600 IAOSFKSPINNKEH-LLVKDONJSA-N 325.334 3.879 0 50 EHAA CCOc1nccc(C)c1C(=O)N1CCC[C@@H](CC(C)(C)C(=N)O)C1 331323951 LXJWVNXERVSNJO-AWEZNQCLSA-N 347.459 3.592 0 50 EHAA CCCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1C(=O)NC 240333631 FEKZRIKLWPLSQK-MRXNPFEDSA-N 331.460 3.505 0 50 EHAA CCCN(C[C@@H]1CCCCO1)C(=O)c1c[nH]nc1-c1ccc(F)cc1 172788491 VWTMQGMUFKXORW-INIZCTEOSA-N 345.418 3.637 0 50 EHAA Cc1ncc(CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)s1 261649748 HHOCSXWBTGZLPG-MRXNPFEDSA-N 333.526 3.657 0 50 EHAA Cc1nc([C@H]2CCCN2C(=O)c2cc3ccccc3c(=O)o2)cs1 241132816 JLXHOXAXXYBMBR-OAHLLOKOSA-N 340.404 3.535 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)cn1 72427287 LAACGECXKBRBCK-OAHLLOKOSA-N 326.440 3.585 0 50 EHAA CN1C(=O)CCc2cc(NCc3ccc(OC(F)F)cc3)ccc21 130302644 PQPGOORJZHZVIF-UHFFFAOYSA-N 332.350 3.809 0 50 EHAA Cc1cc(-c2ccc(C(=O)N[C@@H](c3nccn3C)C(C)C)cc2)ccn1 426674020 IRSVDVSYENQWLX-LJQANCHMSA-N 348.450 3.918 0 50 EHAA COc1ccc(F)c(F)c1C(=O)N[C@H]1CCCc2sc(C)nc21 220193615 FGQQSPJWSLAIIF-JTQLQIEISA-N 338.379 3.546 0 50 EHAA O=C(NCCCOC1CCCCC1)c1cccc(-c2cn[nH]c2)c1 97600922 JJASKDPBBIDDBH-UHFFFAOYSA-N 327.428 3.546 0 50 EHAA CC[C@H](c1ccnn1C)n1cc(-c2ccccc2-c2ccco2)nn1 91594085 UTIYHDQHSXMOEM-QGZVFWFLSA-N 333.395 3.938 0 50 EHAA CC(=O)N[C@@H]1CN(Cc2ccccc2OC2CCCC2)C[C@H]1C(C)C 95531832 OLGMGEPVDUUIJX-VQTJNVASSA-N 344.499 3.601 0 50 EHAA COc1ccc(Cl)cc1NC(=O)N(C)Cc1cc(C2CC2)on1 96151495 BTDLNUCHLUWWKE-UHFFFAOYSA-N 335.791 3.878 0 50 EHAA C[C@H]1CCCCN1C1CN(Cc2ccc(CN3CCCCC3)s2)C1 244894029 YYSCVZPXYYWMJP-KRWDZBQOSA-N 347.572 3.793 0 50 EHAA O=C(N[C@H]1CCOc2c(Cl)cccc21)c1coc(CC2CC2)n1 184312121 TVPSLPJBCGVEJA-ZDUSSCGKSA-N 332.787 3.534 0 50 EHAA CN(C)C[C@@H](c1ccccc1)N(C)C(=O)NCC1C(C)(C)C1(C)C 534588809 CDWYSZIDCNQEAL-INIZCTEOSA-N 331.504 3.613 0 50 EHAA CC[C@H](C)C(=O)Nc1cccc(C(=O)NCc2nc(C)c(C)s2)c1 822559319 CGRAEBUUUSIDHD-NSHDSACASA-N 345.468 3.675 0 50 EHAA C[C@H]1CCC[C@H]1CNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 1459543295 VTLFDKXGCFMBGH-AAEUAGOBSA-N 344.436 3.705 0 50 EHAA CC(C)(C)Oc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 186076575 BQAAOQVAXXRGDV-OAHLLOKOSA-N 343.431 3.741 0 50 EHAA O=C(N1CCC[C@H]1c1csc(-c2cccc(O)c2)n1)C(F)(F)F 170084256 OBUMDSGEZTVDOJ-LBPRGKRZSA-N 342.342 3.742 0 50 EHAA Cn1cc(CN2CC[C@@H](CSc3ccccc3)C2)c(C(F)F)n1 170598069 IIAATOBMKDOMPA-CYBMUJFWSA-N 337.439 3.972 0 50 EHAA O=C([C@H]1Cc2cccc(F)c2O1)n1cccc/c1=N\C1CCCCC1 170640125 HHGBWYQZAPZHID-SFAXUQRRSA-N 340.398 3.505 0 50 EHAA Cc1nc(CC2CC2)sc1C(=O)N[C@H]1CCOc2ccccc21 189943454 KCPIQLNFSQWVAP-AWEZNQCLSA-N 328.437 3.658 0 50 EHAA O=C(NCc1ccc2ncccc2c1)N1CC[C@@H](c2ccccc2)C1 194605697 RDXJFRVHUDIOCR-LJQANCHMSA-N 331.419 3.934 0 50 EHAA COc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1Cl 453599 XQLXJVRGSIWWET-XVNBXDOJSA-N 331.755 3.729 0 50 EHAA CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O[C@H](C)CC)cc1 5550914 PZMKNRGLZYFPOT-ZTFGCOKTSA-N 345.439 3.948 0 50 EHAA O=C1CCN(C/C=C/c2ccco2)CCN1Cc1ccccc1Cl 12161217 OVEJPXOBZFKWFS-ZZXKWVIFSA-N 344.842 3.681 0 50 EHAA CSc1ccccc1OCc1cc(C(=O)N2CCC[C@H](C)C2)no1 12590349 BCUJGALTCWGBHZ-ZDUSSCGKSA-N 346.452 3.848 0 50 EHAA CC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3)c2C2CC2)c1 16652363 KUHWXOVCBQHDQA-UHFFFAOYSA-N 346.390 3.600 0 50 EHAA O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CN1CCCCC1 19287112 WBTOBXWCPOEQED-GXDHUFHOSA-N 336.844 3.820 0 50 EHAA COc1cnc(C)cc1C(=O)NCC1(c2ccccc2F)CCCC1 1857668056 XDOUVRXKGQUKJD-UHFFFAOYSA-N 342.414 3.780 0 50 EHAA Cc1ccc2c(CCNC(=O)N3CCC[C@@H]3c3ccc[nH]3)c[nH]c2c1 265121361 GJTQEFWCSDEDRR-LJQANCHMSA-N 336.439 3.894 0 50 EHAA O=C(O)C[C@@H](c1ccccc1)C1CCN(Cc2cncs2)CC1 901599641 MFTKIIJAYGZUKP-KRWDZBQOSA-N 330.453 3.614 0 50 EHAA C[C@@H](CNC(=O)OC(C)(C)C)c1noc(-c2coc(C3CCC3)n2)n1 809429298 MEHVCMQIIZUICU-JTQLQIEISA-N 348.403 3.620 0 50 EHAA CSc1ccc(-c2noc([C@@H](C(=O)OC(C)(C)C)C3CC3)n2)nc1 952963453 IVWUXJYARPXPHR-ZDUSSCGKSA-N 347.440 3.689 0 50 EHAA O=C(O)c1occc1CNC1(c2cccc(Br)c2)CC1 1875270638 XNVNLSXEQHQWMC-UHFFFAOYSA-N 336.185 3.519 0 50 EHAA O=C(c1cc2c[nH]nc2s1)N1CC[C@@H]2CC[C@@]21c1cccs1 1875396677 QNMBYLZNDBYRBB-ZBEGNZNMSA-N 329.450 3.837 0 50 EHAA O=C(Nc1cccc2c1CNCC2)c1cnc(-c2ccccc2)s1 2325721744 GFXOFUHAAFGZOB-UHFFFAOYSA-N 335.432 3.708 0 50 EHAA COC(=O)c1cc2ccccc2cc1OC(=O)/C=C/c1cncs1 2325748816 ZZHPQCPFZWTSAS-VOTSOKGWSA-N 339.372 3.702 0 50 EHAA O=C(O)c1cc(-c2cccnc2)nc2ccc(Br)cc12 68136 AVLAIBAXSCQGEN-UHFFFAOYSA-N 329.153 3.758 0 50 EHAA Cc1sc2ncnc(SCC(=O)NCc3ccccc3)c2c1C 99003 QTVKQMGYEFWMFT-UHFFFAOYSA-N 343.477 3.717 0 50 EHAA O=C1C[C@@H](c2cccc(Br)c2)c2cc3c(cc2N1)OCO3 427642 CBQBUJKRIFKPMJ-NSHDSACASA-N 346.180 3.652 0 50 EHAA CCOc1cc(OCC)cc(C(=O)Nc2ccccc2C(=O)OC)c1 447485 SINCNWPDAAISQZ-UHFFFAOYSA-N 343.379 3.523 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(Cl)cc2N2CCOCC2)cc1 4858267 AZVGKHUCHCYNRI-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA C/C(=C\C(=O)N[C@@H](C)Cn1ccnc1)C12CC3CC(CC(C3)C1)C2 222168541 TXDYKDUCEKGTEU-SIAZSYRFSA-N 327.472 3.551 0 50 EHAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc(C)n1 8715810 AWYKQAKPERRMNX-UHFFFAOYSA-N 334.441 3.631 0 50 EHAA Cc1noc(CN(C)Cc2nc(-c3cccc(Cl)c3)oc2C)n1 67770824 MZCBOUVMDQLANC-UHFFFAOYSA-N 332.791 3.627 0 50 EHAA CNC(=O)c1ccc(OC)c(-c2ccccc2OC(F)(F)F)c1 67771345 JIJOTYRLDQVVDZ-UHFFFAOYSA-N 325.286 3.620 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)N1c2ccccc2C[C@H]1C 6571418 OZKAVODXYZCKLP-SNVBAGLBSA-N 346.477 3.991 0 50 EHAA CC(=O)c1cc(C(=O)Nc2ccc(-c3ncccn3)cc2)ccc1C 253431121 ZLYQDVUUVQDOJD-UHFFFAOYSA-N 331.375 3.907 0 50 EHAA CCc1ccc(-c2nccn2[C@@H]2CCCN(c3ncccn3)C2)cc1 77407479 SEGNXNCGOOKKCO-GOSISDBHSA-N 333.439 3.744 0 50 EHAA Cc1oc(C(C)C)cc1C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C 376005940 CBMCHDJPQSHTIL-GFCCVEGCSA-N 330.432 3.643 0 50 EHAA O=C(Nc1ccccc1-c1ccncc1)N1CC[C@@H]([C@@H]2CCOC2)C1 241126037 JJBNACDEBZSWAB-IAGOWNOFSA-N 337.423 3.639 0 50 EHAA CC(C)(C1=CCCCC1)c1noc([C@H]2CC(=O)N(C(C)(C)C)C2)n1 333180745 MOSNKQDRIRCUQL-ZDUSSCGKSA-N 331.460 3.962 0 50 EHAA Cc1cncc(CN2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1 372511503 GZUCNEMZIDSGIY-KRWDZBQOSA-N 334.366 3.565 0 50 EHAA Cc1nnsc1C(=O)N1CCC[C@H]1C[C@H]1CCCc2ccccc21 372829709 HNENWYVFUIPEJC-CVEARBPZSA-N 341.480 3.961 0 50 EHAA Cc1ccc(Nc2nc(CN3C[C@H](C)C[C@@H](C(=O)O)C3)cs2)cc1 263110631 BSDSXXDVMLSKHH-ZIAGYGMSSA-N 345.468 3.738 0 50 EHAA CC1CCC(N(Cc2ccc(C(=O)O)cc2)C[C@@H]2CCCO2)CC1 263566511 GCPDPNXLNUDICN-PPSBMQLTSA-N 331.456 3.945 0 50 EHAA Cc1ccc(F)c(C(=O)N[C@H](C)c2nnc(C(C)C)o2)c1Cl 426409247 YJSYNOFTZLTYKY-SECBINFHSA-N 325.771 3.785 0 50 EHAA COCc1nc(C(=O)N[C@H]2CCCc3sc(Cl)cc32)cs1 292113783 NTZXYHFDLCHPTH-VIFPVBQESA-N 342.873 3.812 0 50 EHAA CNC(=O)C[C@H](C)N(C)C(=O)Nc1ccc(-c2ccccc2C)cc1 97772884 BQEYPBLKTFSJPC-HNNXBMFYSA-N 339.439 3.650 0 50 EHAA CCc1nnc(CN(C)C(=O)c2ccc(-c3ccccc3Cl)o2)o1 91551338 BBOHGBDOVMUJNU-UHFFFAOYSA-N 345.786 3.818 0 50 EHAA Cc1cc(C(=O)N(Cc2ccccc2)Cc2scnc2C)on1 97657141 AEVRBXPDLFRVCN-UHFFFAOYSA-N 327.409 3.591 0 50 EHAA COC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 245242314 ZXGPHADSLBDYNB-INDMIFKZSA-N 336.387 3.614 0 50 EHAA COc1ccc(NC(=O)CN2CC[C@@H]2c2ccc(F)cc2)cc1Cl 244724308 MRPYDOABSVTCHP-MRXNPFEDSA-N 348.805 3.873 0 50 EHAA Cc1noc(C)c1C[C@H](C)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 299745124 WHNRTPMJSDXSDJ-XEGUGMAKSA-N 333.432 3.939 0 50 EHAA C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 182202871 LTTXHZIBUTYNSA-LIRRHRJNSA-N 332.407 3.695 0 50 EHAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N[C@@H]1COC2(CCCCC2)C1 299770457 UFMYZOLOQDQPAN-INIZCTEOSA-N 339.439 3.607 0 50 EHAA Cc1ccc(C(C)(C)NC(=O)c2cnn(C3CCCC3)c2C)cn1 1326575525 ZJVJOFOOGWBGRN-UHFFFAOYSA-N 326.444 3.675 0 50 EHAA Cc1nc(N2CC[C@]3(C2)OCc2ccccc23)c2c(C)csc2n1 302429529 PNCWYKHEZRCMMT-LJQANCHMSA-N 337.448 3.944 0 50 EHAA COC[C@@H](C)N(Cc1cccc(OC)c1)Cc1sc(C)nc1C 1206179627 YAHKIGXNXBIQAW-CYBMUJFWSA-N 334.485 3.806 0 50 EHAA CC(C)[C@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O 170050069 WQBQIULRKANBHT-NSHDSACASA-N 343.267 3.923 0 50 EHAA CSc1ccsc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C 187243319 SFWQNYDVNRUVPA-DOMZBBRYSA-N 334.510 3.891 0 50 EHAA CN(CC1CCC1)C(=O)[C@H]1CCc2sc(-c3ccncc3)nc2C1 1772813148 XJWFKPNFEGGVDN-HNNXBMFYSA-N 341.480 3.569 0 50 EHAA CSc1cccc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1 11842354 STDRYRMNKCOICE-FQEVSTJZSA-N 344.524 3.633 0 50 EHAA Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)C(C)(C)C 12385435 ONXWFDSPVZWQSM-ZDUSSCGKSA-N 332.492 3.777 0 50 EHAA CCOC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccco3)nc21 12397181 XJNGHGQJBVERPT-UHFFFAOYSA-N 335.310 3.500 0 50 EHAA CCCCNC(=O)N1CCC[C@H](C(=O)c2cc(C)c(OC)c(C)c2)C1 12507470 VZRIJEFNWHKOLA-INIZCTEOSA-N 346.471 3.716 0 50 EHAA Cc1c([C@@H](C)NC(=O)/C=C/c2ccco2)cnn1-c1cccc(F)c1 12580890 YMMAAOSKZLPKOB-MMQHEFTJSA-N 339.370 3.803 0 50 EHAA C[C@H](NC(=O)c1cn(C2CCCCC2)nn1)c1ccccc1Cl 12706165 WIMNWDGGTQZEHX-LBPRGKRZSA-N 332.835 3.928 0 50 EHAA CC[C@H](C)N[C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 14989485 LBAWGNYBAXPYOM-RDJZCZTQSA-N 326.488 3.994 0 50 EHAA COCC[C@@H]1CCCCN1Cc1nc(Cc2ccccc2Cl)no1 15077832 JNUMHRMJCBSPFI-HNNXBMFYSA-N 349.862 3.705 0 50 EHAA CSc1ccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 19841892 YYOPYTVYCPQLAZ-UHFFFAOYSA-N 344.455 3.506 0 50 EHAA CS(=O)(=O)c1ccc(-c2nccn2C[C@@H]2CC[C@H]3CCC[C@H]32)cc1 1857710621 HNPLLRKSWQBXHR-UWWQBHOKSA-N 344.480 3.780 0 50 EHAA O=C(N[C@@H]1CCCOc2c(Cl)cccc21)[C@@H]1CCc2cccnc21 333480035 PFOTXJDSOYBQAQ-GDBMZVCRSA-N 342.826 3.795 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@H](n3ccnc3C)C2)c2ncccc12 932120384 IHTFFCSFGYEBRZ-INIZCTEOSA-N 334.423 3.525 0 50 EHAA C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCCN3)Cc2ccccc2O1 1875362603 MEXPWDMHGDCJPN-OAHLLOKOSA-N 336.435 3.858 0 50 EHAA Cc1ccc(-c2cncc(C(=O)N[C@@H]3CCC[C@@H]3n3ccnc3)c2)cc1 889016163 UWUSCGZKZCQMHP-UXHICEINSA-N 346.434 3.777 0 50 EHAA Cc1ccccc1C[C@H](CO)CNCc1ccc(Br)cc1 2325720195 SDWPOOLAYOLPOL-INIZCTEOSA-N 348.284 3.698 0 50 EHAA CC(C)(C)c1cncc(N2C(=O)[C@H]3CC[C@@H](C(C)(C)C)CN3C2=O)c1 2325796242 CKKVZHBFUFRJLK-CZUORRHYSA-N 343.471 3.972 0 50 EHAA COc1cc(C)c(C(=O)Nc2ncc(C)s2)cc1Br 2325854613 MLZFCHDGNKNFQU-UHFFFAOYSA-N 341.230 3.783 0 50 EHAA NCC1(c2ccccc2)CCN(c2nc3cccc(F)c3s2)CC1 2325858252 FQKBGVADWXMLLK-UHFFFAOYSA-N 341.455 3.932 0 50 EHAA C[C@H](CN1CCN(c2ccncn2)CC1)c1ccc2ccccc2c1 2325860282 BHFCGEYYIBSWID-QGZVFWFLSA-N 332.451 3.556 0 50 EHAA O=C(Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccco1 200950 WKIHDZJCOJECHE-UHFFFAOYSA-N 330.723 3.747 0 50 EHAA Cc1ccccc1OCCn1c(SCC(=O)O)nc2ccccc21 316323 WVQOZCSNHXAYHV-UHFFFAOYSA-N 342.420 3.600 0 50 EHAA COc1cccc(CNC(C)(C)CO)c1OCc1ccc(Cl)cc1 359885 YHLKTTZKCGFPFB-UHFFFAOYSA-N 349.858 3.788 0 50 EHAA COC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1C 435992 YLSLXGULXDVDNQ-UHFFFAOYSA-N 332.425 3.788 0 50 EHAA O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccnc1 570389 ITXRBYMURJIJKD-UHFFFAOYSA-N 349.781 3.721 0 50 EHAA c1ccc(CO[C@H]2CCCN(Cc3cccc4ncsc34)C2)nc1 2356138203 HZLCHDWUXYWYES-KRWDZBQOSA-N 339.464 3.873 0 50 EHAA COc1cc(NC(=O)c2cc(-c3ccco3)on2)c(OC)cc1Cl 3908425 CWMTUEXMOZWHSH-UHFFFAOYSA-N 348.742 3.858 0 50 EHAA COc1ccccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 9259212 POCDLKQOVKPSNV-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA Cc1nc(CC(=O)NCCSc2ccc(Cl)cc2)cs1 23922628 JBEYPDZBOSPULO-UHFFFAOYSA-N 326.874 3.556 0 50 EHAA CC(C)Cc1ncc2c(n1)CN(C(=O)c1scc3c1CCCC3)C2 67514726 KYPSHKGPBOERNS-UHFFFAOYSA-N 341.480 3.771 0 50 EHAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)COC(C)C)C2)cc1 67696507 JXKKUCTYIQYAJJ-QGZVFWFLSA-N 341.455 3.516 0 50 EHAA COCc1c(-c2nc(CC(C)C)nn2-c2ccc(F)cc2)noc1C 65469837 VYTPJHRDDFLWKR-UHFFFAOYSA-N 344.390 3.715 0 50 EHAA CC(C)c1nc(-c2csc(CN(C)C)n2)n(-c2ccccc2)n1 65410007 AJXDGMRZABIOGW-UHFFFAOYSA-N 327.457 3.576 0 50 EHAA CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3F)n2)cc1 472382600 BVXCDNDZYMXBEL-LBPRGKRZSA-N 339.370 3.929 0 50 EHAA Cc1ccc(C)c([C@@H]2CC(=O)Nc3cc(N4CCCC4=O)ccc32)c1 65381600 VTGBIFREWSSUSH-GOSISDBHSA-N 334.419 3.904 0 50 EHAA CCC(CC)c1n[nH]c(=NC(=O)N2CC3(CCC3)[C@H]2C(C)C)s1 432642874 NWVUWMCQFIBMSF-CYBMUJFWSA-N 336.505 3.906 0 50 EHAA CCN(CC(=O)Nc1ccc(F)cc1)Cc1ccc2[nH]ccc2c1 252486412 HLBHJQCEFPKWOT-UHFFFAOYSA-N 325.387 3.768 0 50 EHAA CCC(CC)n1ncc(C(=O)N[C@@H]2COc3cccc(F)c32)c1C 252536091 HPAHVXRWSAXQJG-OAHLLOKOSA-N 331.391 3.555 0 50 EHAA COc1ccccc1N1CCN(Cc2csc(C(C)=O)c2)[C@@H](C)C1 215311129 FPWORZSIZXCTGZ-AWEZNQCLSA-N 344.480 3.670 0 50 EHAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCCN3CCCCCC3)c2c1 215425321 ZDLIQGKSISZLHP-UHFFFAOYSA-N 341.499 3.628 0 50 EHAA O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cc2ccccc2c(O)n1 481555688 NBTHTGYXOUWRFG-KOMQPUFPSA-N 336.366 3.756 0 50 EHAA C[C@H](NC(=O)c1cc2cc(F)ccc2n1C)c1nc2ccccc2[nH]1 215712108 HNJWOVGEEMKQPH-NSHDSACASA-N 336.370 3.685 0 50 EHAA Cc1nn(C)c2c1[C@H](c1cccc(OC3CCCC3)c1)CC(=O)N2 72119184 YPGCNTIMSFTEKC-INIZCTEOSA-N 325.412 3.524 0 50 EHAA COC(C)(C)C(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 71775601 CTDVNEFLVRFVGH-ZDUSSCGKSA-N 325.399 3.561 0 50 EHAA Cc1ccccc1S(=O)(=O)/N=C(\O)Nc1c(C)cccc1Cl 34132907 MJBBKDRZGWVKMY-UHFFFAOYSA-N 338.816 3.672 0 50 EHAA O=C([C@@H]1CC(C(c2ccccc2)c2ccccc2)=NO1)N1CCCCC1 14881406 IGXAZKWJGQUCRZ-FQEVSTJZSA-N 348.446 3.976 0 50 EHAA CCc1ccc(NC(=O)N2CCCC[C@H]2CCn2ccnc2)cc1 72165604 CRPYBYXSQZUIQC-SFHVURJKSA-N 326.444 3.922 0 50 EHAA CS(=O)(=O)CCc1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 129590360 NHJOZLHGEYZXKN-UKRRQHHQSA-N 349.418 3.807 0 50 EHAA Cc1cccc(COc2cccc(C(=O)N(C)C[C@@H]3CCOC3)c2)c1 177327677 SKSGQAAEEYOZSH-SFHVURJKSA-N 339.435 3.683 0 50 EHAA CC(C)[C@H](C)n1ncc2[nH]c(-c3ccc(OCCN(C)C)cc3)nc21 19790937 FPXPNPHSVKHZCM-AWEZNQCLSA-N 341.459 3.584 0 50 EHAA CCc1nc(NC(=O)c2ccccc2-c2nnc(C)o2)sc1C 177949766 DHAUWYARVPHBPF-UHFFFAOYSA-N 328.397 3.625 0 50 EHAA Cc1cccc2[nH]c(C3CCN(c4cccc([C@H](C)O)n4)CC3)nc12 96163852 XNDINBYTPKXKQY-AWEZNQCLSA-N 336.439 3.704 0 50 EHAA Cc1nccn1CCN(C)C(=O)c1ccc(-c2ccccc2Cl)o1 91695583 YCNLXBFBPBWYFY-UHFFFAOYSA-N 343.814 3.877 0 50 EHAA Cc1ncsc1CCCNC(=O)Cc1c(C)[nH]c2c(F)cccc12 91973686 VNJZVDJJJBUFBQ-UHFFFAOYSA-N 345.443 3.672 0 50 EHAA CC(C)c1nnc(CN(CCO)[C@@H]2CCCc3ccccc32)s1 294942865 LRXGEVXAYJMKRU-MRXNPFEDSA-N 331.485 3.533 0 50 EHAA C[C@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@@H]1CC=C2CC(=O)O 257358879 WXRCQADVBJRAON-IANKGOGOSA-N 346.467 3.580 0 50 EHAA CN(C(=O)Nc1ccnn1C[C@H]1CC=CCC1)C1CCSCC1 299788168 XINREKSBZCBPQN-AWEZNQCLSA-N 334.489 3.599 0 50 EHAA O=C(Nc1ccccc1Cc1ccccc1)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 299772975 BSFJNPZLFCZVRI-RUYXUALKSA-N 336.435 3.512 0 50 EHAA Cc1cc2occ(CC(=O)N(C)C[C@@H]3CCCCO3)c2cc1Cl 299794235 INWTWYLHNPDTRZ-AWEZNQCLSA-N 335.831 3.965 0 50 EHAA Cc1ccc(F)cc1CC(=O)Nc1cccc(N2C(=O)CC[C@@H]2C)c1 827848545 WXVQVPXRNAENJU-AWEZNQCLSA-N 340.398 3.831 0 50 EHAA O=C(NCCCSCc1ccccc1Cl)[C@@H]1CCC[C@H](O)C1 1074604416 GVOREIGKTSJMAW-HIFRSBDPSA-N 341.904 3.631 0 50 EHAA C[C@H]1C[C@@H](CCNC(=O)Cc2cccc(C(F)(F)F)c2)CCO1 273613339 ULMJZFVGNSXPFI-STQMWFEESA-N 329.362 3.569 0 50 EHAA CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc3ccccc3s2)C1 190103890 SPSACWJQQKGTLH-UKRRQHHQSA-N 329.425 3.555 0 50 EHAA Cc1ncc(CN[C@@H]2CCc3cc(O)ccc3C2)n1-c1ccccc1 683473576 NKNQHWSOHVDWPC-GOSISDBHSA-N 333.435 3.533 0 50 EHAA C[C@H](CCCC(C)(C)O)NCc1cn(C)nc1-c1ccccc1F 12057055 OUCWRBMEMUOKDX-CQSZACIVSA-N 333.451 3.646 0 50 EHAA O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C1CCCCC1 12470439 ZHGSOKJLARQEBZ-LJQANCHMSA-N 338.455 3.608 0 50 EHAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)C(=O)CC(C)C)C1 12595411 DYFOQCUHMQZOMO-AWEZNQCLSA-N 349.858 3.685 0 50 EHAA O=C(c1ccnc(Cl)c1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 12717705 CCTGWFBGOLGYFI-OAHLLOKOSA-N 333.794 3.591 0 50 EHAA CCCC(=O)N[C@@H](N(C)Cc1ccccc1)C(Cl)(Cl)Cl 19607523 KDKDVGMLNCJBQQ-ZDUSSCGKSA-N 337.678 3.731 0 50 EHAA COc1cccc([C@H]2CCN(c3cnc4ccccc4n3)C2)c1OC 1857695554 ONSNZDYZBANQOD-AWEZNQCLSA-N 335.407 3.641 0 50 EHAA NCc1ccccc1NC(=O)N[C@H]1CCCOc2cc(Cl)ccc21 904645876 DVXVLDLQXJZYLD-INIZCTEOSA-N 345.830 3.834 0 50 EHAA C=CC(=O)N(Cc1c(F)cc(C)cc1Cl)[C@@H]1CCCOCC1 1875382924 XKWJQVCNQVAMQA-CYBMUJFWSA-N 325.811 3.871 0 50 EHAA COc1ccc(CN[C@@H](C)c2cnc(-c3ccncc3)nc2C)cc1 20208651 FZJOQEKJGJHOHW-AWEZNQCLSA-N 334.423 3.706 0 50 EHAA Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)nc1-c1ccccc1 204919 WBTSRBHBHLSUHT-ZIAGYGMSSA-N 342.420 3.724 0 50 EHAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 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Nc1ccccc1NC(=O)CCCCCC(=O)Nc1ccccc1 29054251 ZAIULUYKQLVQFH-UHFFFAOYSA-N 325.412 3.797 0 50 EHAA in-vitro CCN(Cc1noc(CC(C)C)n1)Cc1ccc(F)c(OC)c1F 55195927 SZSQCKKLYAFBNS-UHFFFAOYSA-N 339.386 3.577 0 50 EHAA Cc1ccc(-c2nn3c(CN4CCCCCC4)nnc3s2)cc1C 57524555 AMYFRPBDIHEYDM-UHFFFAOYSA-N 341.484 3.846 0 50 EHAA O[C@H](CN1CCOCC1)c1ccc(-c2ccc(F)cc2Cl)cc1 67834122 WGBBNFVCCCHBPE-GOSISDBHSA-N 335.806 3.512 0 50 EHAA Cc1cccc(C)c1NC(=O)[C@@H]1CCCN1C(=O)c1cccc(F)c1 20402134 WFWSHIBTJFVXEA-KRWDZBQOSA-N 340.398 3.686 0 50 EHAA C[C@H]1CN(Cc2ccccn2)CC[C@H]1NCCSc1ccccc1 252486166 GFDXIFPRYFCMGT-FXAWDEMLSA-N 341.524 3.674 0 50 EHAA Cc1c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)n(C)c2ccccc12 67722872 JJGIRZYRQJFLQH-UHFFFAOYSA-N 348.450 3.730 0 50 EHAA Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(CO)c(Cl)c3N2)cc1 226857 ZQQZMXWRKVVNBH-PWSUYJOCSA-N 345.752 3.998 0 50 EHAA O=C1CC[C@@]2(CCCN(c3nccs3)C2)CN1Cc1ccccc1 72410554 KOBIQECTJFSBFX-LJQANCHMSA-N 341.480 3.552 0 50 EHAA CC(=O)c1cc(F)c(NC(=O)CCc2cccc(N(C)C)c2)c(F)c1 253416462 DWRCOVKWGBPQAL-UHFFFAOYSA-N 346.377 3.805 0 50 EHAA Cc1cc(C)n(C[C@H](C)n2ccnc2-c2ccc(-c3cc[nH]n3)o2)n1 71422221 ZDPQYICJOPEBID-AWEZNQCLSA-N 336.399 3.608 0 50 EHAA Cc1cccc2c1cc(C(=O)N1CCC([C@H](O)CC(C)C)CC1)n2C 77516718 HLWYVUZELLMTTP-HXUWFJFHSA-N 342.483 3.746 0 50 EHAA Cc1oc(C(C)C)cc1C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C 376005941 CBMCHDJPQSHTIL-LBPRGKRZSA-N 330.432 3.643 0 50 EHAA COc1cc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)ccc1O 71281304 WVNRFUPSFWGPAJ-CYBMUJFWSA-N 327.384 3.836 0 50 EHAA O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1C[C@H]1C1CCCCC1 172832739 TWKKHNHEUWSDOT-HOTGVXAUSA-N 325.456 3.828 0 50 EHAA O=C(CCCc1cccs1)Nc1cccc(N2CCCNC2=O)c1 174092752 YXBMAZDSWHGUPH-UHFFFAOYSA-N 343.452 3.629 0 50 EHAA COc1cccc([C@H](N[C@@H](C)c2nccnc2C)c2ccccn2)c1 242302322 YRKWUEYPRHLTBV-YWZLYKJASA-N 334.423 3.629 0 50 EHAA CSCCCNC(=O)N(Cc1ccccc1)Cc1cccc(C)n1 426698278 OHRQOOCTRUGZKM-UHFFFAOYSA-N 343.496 3.855 0 50 EHAA Cc1cc(C)n([C@H](C)C(=O)Nc2cnccc2-c2cccc(F)c2)n1 177532518 OIAAXXGTSRZDTJ-CQSZACIVSA-N 338.386 3.901 0 50 EHAA Cc1ccc2c(C)c(C(=O)N3CCC[C@@H](Cn4ccnc4)C3)oc2c1 92061901 ZTLFPDYITHVMOY-INIZCTEOSA-N 337.423 3.799 0 50 EHAA FC(F)Oc1ccc(CN2CC(c3nc4ccccc4[nH]3)C2)cc1 97370466 UQKORQCHYFVBNP-UHFFFAOYSA-N 329.350 3.764 0 50 EHAA c1ccc(C[C@@H]2CN(Cc3csc(-c4ccoc4)n3)CCO2)cc1 181563288 YWWBNHIKUNNZLR-GOSISDBHSA-N 340.448 3.847 0 50 EHAA CN(CCN)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 252461629 NDAWUPLIPPNPGL-TUGIDLRSSA-N 348.575 3.649 0 50 EHAA CC(=O)[C@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)C3=CC[C@]21C 253497333 RTLDIGDDKDWOPF-WDCBCXKUSA-N 346.511 3.876 0 50 EHAA CCCn1nc(C)c(CNC(=O)c2c(F)ccc(C)c2Cl)c1C 252483582 FFOKORZUQUPBGM-UHFFFAOYSA-N 337.826 3.941 0 50 EHAA CC1(C)[C@@H]2C[C@@H]1CC1=C2[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 257357666 PIJBQVKSBJJYPY-IPJBKVAJSA-N 333.431 3.805 0 50 EHAA CCCOc1ccc([C@@H](C)Nc2ccc(C(=O)N(C)C)cn2)cc1 264846041 IFBYHXQKKRIKMC-CQSZACIVSA-N 327.428 3.745 0 50 EHAA O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CC(c2ccncc2)C1 952984672 QKHKOQZWEZJOIC-UHFFFAOYSA-N 341.842 3.575 0 50 EHAA Cc1csc(CN(C)c2nc(C)nc3sc4c(c23)CCC4)n1 170631078 BBEDMDNSRUDPPL-UHFFFAOYSA-N 330.482 3.890 0 50 EHAA Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CCOc2ccc(F)cc21 188954815 JYTGHXTWEPJAND-CQSZACIVSA-N 346.427 3.797 0 50 EHAA CC(C)N(CC1CCC1)C(=O)NCC1CCN(c2ccncc2)CC1 194282379 GDCCYQUIECAXIV-UHFFFAOYSA-N 344.503 3.518 0 50 EHAA O=C(O)C1CCC(C(=O)NCC2(Cc3ccccc3)CCCC2)CC1 194444746 SAIWWZHUGVCFTR-UHFFFAOYSA-N 343.467 3.797 0 50 EHAA C[C@H](Nc1cccc(CN(C)Cc2cscn2)c1)[C@@H]1CCOC1 195099762 SNMXFPKBTHFJIE-GOEBONIOSA-N 331.485 3.612 0 50 EHAA CCCN1C[C@@H](NCc2ccc(SC3CCCCC3)o2)CC1=O 1506396775 KJBMYZNELZCMRX-AWEZNQCLSA-N 336.501 3.805 0 50 EHAA O=C1C[C@H](CN=c2cc[nH]c3ccc(Cl)cc23)CN1C1CCCC1 1529125617 RSVXSOOQCHNFCA-CYBMUJFWSA-N 343.858 3.513 0 50 EHAA CCc1cnc(C)nc1N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1704297866 FAVGNLLGTIQQOZ-YLJYHZDGSA-N 348.450 3.565 0 50 EHAA Cn1nnc2c(-n3ccnc3-c3ccc([C@@H]4CCCCO4)o3)cccc21 1775983312 VRCIYMXBAOCPLC-HNNXBMFYSA-N 349.394 3.656 0 50 EHAA CCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2)c1 5524267 FWDXXSUWEZQHSC-UHFFFAOYSA-N 332.787 3.706 0 50 EHAA CSCCC(=O)N[C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 12457540 SLDGDGCSRGQPFI-LJQANCHMSA-N 348.556 3.719 0 50 EHAA O=C1CC[C@H](CCNCc2cccc(C(F)(F)F)c2)N1CC1CC1 14962949 ZEQXUTDSTFHTAJ-MRXNPFEDSA-N 340.389 3.586 0 50 EHAA C[C@H](NC(=O)[C@@H]1CC(Cc2ccccc2)=NO1)c1ccccc1Cl 14994608 BEJODHWYWYMKAP-UGSOOPFHSA-N 342.826 3.905 0 50 EHAA Cc1cc(C)cc(NC(=S)N2CCN(Cc3ccccc3)CC2)c1 19815047 OCCCSBAZPGTJOI-UHFFFAOYSA-N 339.508 3.818 0 50 EHAA C[C@H]1CC[C@@](C)(C(=O)NCc2nccc(C(F)(F)F)n2)C1(C)C 412597722 ALDNBFBNJPTQKA-BONVTDFDSA-N 329.366 3.574 0 50 EHAA CC(C)CCO[C@H](C)c1nc(-c2cn(C)nc2C(F)(F)F)no1 426228209 PPLIOXGYCDMUCC-SECBINFHSA-N 332.326 3.613 0 50 EHAA C[C@@H](NCc1ccc(N2CCCNC2=O)cc1)c1cc2ccccc2[nH]1 926730326 GQSYNWPKMGXYAJ-OAHLLOKOSA-N 348.450 3.938 0 50 EHAA Oc1ccc(F)c(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c1F 858017702 TXXFRFYBJUJING-AWEZNQCLSA-N 346.377 3.596 0 50 EHAA C[C@H](NC(=O)c1ccc(CCC(N)=O)cc1)c1cccc2ccccc12 1875259199 NEYRWYOEQQZIDF-HNNXBMFYSA-N 346.430 3.749 0 50 EHAA O=C(Nc1nnc([C@@H]2CCOC2)s1)c1cc(Cl)ccc1Cl 1875320399 BXKFKVRMIWDAEW-SSDOTTSWSA-N 344.223 3.601 0 50 EHAA O=C(c1nocc1Cl)N1CC(OCc2cccc3ccccc23)C1 1875336567 BWJMABWSHQVJAG-UHFFFAOYSA-N 342.782 3.522 0 50 EHAA CSc1ccc(NC(=O)C[C@@H](Cc2ccccc2)C(=O)O)cc1 1875360653 DKDOMOIUFLCRHI-CQSZACIVSA-N 329.421 3.681 0 50 EHAA COc1cccc(C2CCN(c3nc4ccncc4n3C)CC2)c1F 1875305523 VOWMZPKZXQLESV-UHFFFAOYSA-N 340.402 3.500 0 50 EHAA CCOc1ccc(/C=C/c2nnc([C@H]3CCCOC3)o2)cc1OC 886035349 SVKHCUXFCYZEAX-KGXGESDWSA-N 330.384 3.541 0 50 EHAA COCCn1cc(-c2ccc(C(F)(F)F)cc2OC(F)F)cn1 888095521 PFZYDEHJHMKSKN-UHFFFAOYSA-N 336.260 3.817 0 50 EHAA CC(C)(C)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 76474 QJDASIZKRQHFFS-JTQLQIEISA-N 336.501 3.983 0 50 EHAA O=C(CSCc1c(Cl)cccc1Cl)NCc1cccnc1 382668 DNMQGCWATKNXSP-UHFFFAOYSA-N 341.263 3.938 0 50 EHAA CCOc1ccc(NC(=O)CCC(=O)c2ccc(OC)cc2)cc1 450791 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COc1ccc(-n2ccnc2-c2ccc(NC(C)=O)cc2)cc1OC 67654295 YKTWGLSUCVKGDZ-UHFFFAOYSA-N 337.379 3.515 0 50 EHAA CC(C)c1nccc(-c2nc(-c3ccccc3)nn2-c2ccccn2)n1 65528260 UZAPYMNBCQGNIH-UHFFFAOYSA-N 342.406 3.910 0 50 EHAA CCSc1ncc(-c2nccn2-c2ccc(-c3ccn[nH]3)cc2)cn1 71755481 VMLBGPQKTBCUPD-UHFFFAOYSA-N 348.435 3.831 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CC=C(c4cccs4)CC3)[nH]n2)o1 172152953 BKAKNOPKTFOIEN-UHFFFAOYSA-N 339.420 3.969 0 50 EHAA CC(=O)c1cccc(CN2CCCN(Cc3ccc(F)cc3)CC2)c1 72165607 KTLGMDVTWMONEB-UHFFFAOYSA-N 340.442 3.736 0 50 EHAA Cc1cc(NC(=O)N2CCC(c3ccc(F)cc3C)CC2)n(C)n1 332148587 PNSCVLLKDUYULN-UHFFFAOYSA-N 330.407 3.588 0 50 EHAA O=C(CC[C@H]1CCNC1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 261852268 MZLKTFVAZQBULV-AWEZNQCLSA-N 334.423 3.558 0 50 EHAA Cc1ncsc1CCC(=O)NCc1scnc1-c1ccccc1 82099419 MRNROBFEMBGHRF-UHFFFAOYSA-N 343.477 3.824 0 50 EHAA C[C@H]([C@H]1CCCO1)n1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 17070775 YSISXRAGZZJPCJ-MWLCHTKSSA-N 336.482 3.739 0 50 EHAA CCCCc1ccccc1NS(=O)(=O)c1cc(OC)ccc1OC 17072596 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Cc1oc(CN(C)C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)cc1C(=O)O 299753329 XVGNTKKUDHZOOB-HUUCEWRRSA-N 347.798 3.702 0 50 EHAA COC[C@@H]1CCCN1C(=O)Nc1cccnc1Oc1ccccc1F 299778346 GAXHQDKQLUMQMM-ZDUSSCGKSA-N 345.374 3.656 0 50 EHAA Cc1cc(C)cc(N2CCC(NCc3cncn3CC(C)C)CC2)c1 821502185 REZVGURIKFZZBE-UHFFFAOYSA-N 340.515 3.915 0 50 EHAA COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cn1 171019 PEPGUTKUTJJKCT-UHFFFAOYSA-N 341.592 3.758 0 50 EHAA O=C(CSc1ccccc1)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273355152 ZIDOYCHJFURWCF-AEFFLSMTSA-N 345.439 3.954 0 50 EHAA O=C(c1ccoc1Cl)N(Cc1ccc(F)cc1)C1CCOCC1 277299970 BUAYJAGRVAMFEC-UHFFFAOYSA-N 337.778 3.894 0 50 EHAA CC(=O)c1csc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)c1 170945293 WKLKRAYILWCXMH-UHFFFAOYSA-N 329.356 3.528 0 50 EHAA Cc1nc([C@@H]2CC[C@H](CN[C@H](C)c3oc4ccccc4c3C)O2)n[nH]1 1775957606 DHBHECKGIVSTRM-MRRJBJDNSA-N 340.427 3.739 0 50 EHAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C(=O)CO 1857619413 CYKYBWRSLLXBOW-MNZDUMJDSA-N 334.500 3.568 0 50 EHAA Cc1ccc(S(=O)(=O)Oc2ccccc2Br)cc1 1621389 ZXJVRRGBOXUFSQ-UHFFFAOYSA-N 327.199 3.525 0 50 EHAA in-vitro c1ccc2nc(N3CCC4(CC3)OCCc3sccc34)cnc2c1 1704308062 FNBMAAROAAHIBZ-UHFFFAOYSA-N 337.448 3.760 0 50 EHAA Cc1ccc(NS(=O)(=O)c2[nH]ncc2-c2cccc(Cl)c2)cc1 12415342 DPSPWYJFWDWNOZ-UHFFFAOYSA-N 347.827 3.839 0 50 EHAA OC[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 15065189 CXHUYXOFHYSHJL-KRWDZBQOSA-N 347.462 3.948 0 50 EHAA Cc1ncc2c(c1-c1noc(-c3cc(F)ccc3Cl)n1)CCNC2 19952807 XAMWGAJXWLGBHD-UHFFFAOYSA-N 344.777 3.545 0 50 EHAA O=C(CCCCc1ccccc1)N1CCc2[nH]nc(C3CC3)c2CC1 1857677435 BOWSCHAGNQWYJV-UHFFFAOYSA-N 337.467 3.627 0 50 EHAA C[C@@H]1CCC[C@@H](CNC(=O)N2CCC(Oc3ncccc3F)CC2)C1 333433667 NZYYUEPZNRVFAV-HUUCEWRRSA-N 349.450 3.600 0 50 EHAA COc1cccc(-c2nc(C(=O)N(C3CCCC3)C3CC3)c(C)[nH]2)c1 130567240 PYCLYTYJMBLIDU-UHFFFAOYSA-N 339.439 3.941 0 50 EHAA Cn1ncc(CNc2ccc3nc(-c4ccccn4)[nH]c3c2)c1C1CC1 1875283785 ADCBUDHYNGGDPH-UHFFFAOYSA-N 344.422 3.848 0 50 EHAA O=S(=O)(c1ccco1)N1CCCC[C@H]1Cc1ccccc1Cl 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3.619 0 50 EHAA C[C@H](CCCC(C)(C)O)NC1CCN(CCc2ccccc2)CC1 4030556 MHODNBZBPRFJBM-GOSISDBHSA-N 332.532 3.613 0 50 EHAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(F)c1 4805743 HYCGHHDWYDVNGO-UHFFFAOYSA-N 326.371 3.704 0 50 EHAA CCCCN(Cc1ccc(C)s1)C(=O)CN(C)Cc1cccnc1 55195479 BTINBFVRHVDOFS-UHFFFAOYSA-N 345.512 3.712 0 50 EHAA Cc1ccc(NC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 20367781 HWDMGHXQQRXJRG-UHFFFAOYSA-N 343.858 3.998 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccc(F)c2)c(F)c1 20293315 GAGJXPMAQWYFMD-QGZVFWFLSA-N 344.361 3.517 0 50 EHAA O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1c[nH]nc1-c1ccc(F)cc1 463992252 TVZGPIIDKOTDCZ-MAUKXSAKSA-N 335.382 3.577 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(F)cc2)c(F)c1 20399331 HYKJDEWXPXFHCG-KRWDZBQOSA-N 344.361 3.517 0 50 EHAA CCCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(C(C)=O)c1 65506504 KJVUPOJSFZWPCI-UHFFFAOYSA-N 345.464 3.941 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc(OC(F)F)c(F)c1 136802321 QEVSGYJQKSNRCM-QMMMGPOBSA-N 341.333 3.899 0 50 EHAA C[C@H](C(=O)NCCCO[C@@H]1CCCc2ccccc21)c1ccccn1 252495501 ORVVNTGHBZMJPI-OXJNMPFZSA-N 338.451 3.786 0 50 EHAA CN(C)c1cccc(C(=O)N2CCC(OCc3ccccc3)CC2)c1 77453439 BIHHEMGOBPSZKA-UHFFFAOYSA-N 338.451 3.574 0 50 EHAA O=C([C@H]1CCc2ccccc21)N(Cc1ccccn1)Cc1ccco1 215901981 MZOHWXAPKZVSJT-FQEVSTJZSA-N 332.403 3.933 0 50 EHAA Cc1ncc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 331513864 JJHAWRYJGKPJPR-KGLIPLIRSA-N 337.345 3.803 0 50 EHAA CC(C)Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3C)C2)cc1 82100132 LQDJRYGGXGSKCR-GOSISDBHSA-N 325.456 3.638 0 50 EHAA Nc1ccc2c(c1)Oc1cc(O)ccc1[C@]21OC(=O)c2ccccc21 43199396 OKFGUUIODGPPLE-HXUWFJFHSA-N 331.327 3.542 0 50 EHAA Cc1nc(-c2ccc([C@H](C)N3CCOCC3)cc2)cc(C(C)C)n1 426635522 SJFMBJDAPCEOEI-HNNXBMFYSA-N 325.456 3.969 0 50 EHAA C[C@@H]1CN(C(=O)CC2C[C@@H]3CC[C@H](C2)N3)CC[C@@H]1c1ccccc1 237562880 RTRKFVLPPZQZNX-DSLRARGZSA-N 326.484 3.559 0 50 EHAA CC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H]1C[C@H](O)C1 252536670 JDBMIMARVQFGHL-FWDPORAESA-N 335.753 3.638 0 50 EHAA 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Cc1scc(C(=O)N2CCC3(CC2)OCCO3)c1-c1ccccc1 1055177 RNNFWGOABXOUSV-UHFFFAOYSA-N 343.448 3.703 0 50 EHAA CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2)NC(=O)N1 1190146 PZMITUAWCYEHLB-INIZCTEOSA-N 341.798 3.607 0 50 EHAA O=C(Cc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 1218655 RPYXPTYUGHDSKY-UHFFFAOYSA-N 349.261 3.885 0 50 EHAA O=C1N(C2CC2)CCC[C@@]12CCCN2CCCCc1ccccc1 2356136997 NWXOVWCSGIXDKP-NRFANRHFSA-N 326.484 3.629 0 50 EHAA CC(=O)c1c(C)nc2nc(SCc3ccccc3Cl)nn2c1C 6758956 GSTWIOYLPUTSTR-UHFFFAOYSA-N 346.843 3.889 0 50 EHAA CCOC(=O)c1cnc(C(F)(F)F)nc1-c1ccccc1Cl 8700172 PLONULZIEOZLDE-UHFFFAOYSA-N 330.693 3.993 0 50 EHAA CCCc1nc(CN(CC)C(=O)c2cc(F)c(F)cc2Cl)no1 55107922 VAEQTZMNAZDQKW-UHFFFAOYSA-N 343.761 3.616 0 50 EHAA Cc1cccc(-c2noc(CN(C)C(=O)c3sccc3C)n2)c1 55200119 PBGBCKFWRVMZPU-UHFFFAOYSA-N 327.409 3.687 0 50 EHAA COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 10301976 GVJFUBIYTMOUDG-UHFFFAOYSA-N 349.305 3.654 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2F)c(F)c1 20252577 QEBVSCVRJBJZOK-KRWDZBQOSA-N 344.361 3.517 0 50 EHAA Cc1cc(C)cc(NC(=O)N2CCN(Cc3ccccc3C)CC2)c1 20418540 FBAKGTZTRSHIJU-UHFFFAOYSA-N 337.467 3.962 0 50 EHAA CC(C)n1ccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)n1 280601014 WSTCLYRTHZCIQR-IRXDYDNUSA-N 342.443 3.584 0 50 EHAA C[C@H](CCCC(C)(C)O)CCNCCc1cnn(-c2ccccc2)c1 32520181 CPNUKTBOKGCDID-GOSISDBHSA-N 343.515 3.972 0 50 EHAA CCc1cc(C(=O)OC)c(NC(=O)Cc2ccccc2Cl)s1 2807742 IUDUIAUXNYBKFE-UHFFFAOYSA-N 337.828 3.932 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N(C)CCc3c(C)n[nH]c3C)c2c1 77393865 PTFCEOSKZAUCLA-UHFFFAOYSA-N 336.439 3.506 0 50 EHAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)Cc4ccc(O)cc4)C3)nc12 77470161 SEJITTKXVIHNRM-INIZCTEOSA-N 349.434 3.526 0 50 EHAA CC(C)C[C@H](O)C1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1 77356611 UVJBIULQXHHQDZ-FQEVSTJZSA-N 344.499 3.546 0 50 EHAA CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc([C@H]3C[C@H]3C)o2)cn1 328655221 YEOKSYBJTUIDCW-JYYRGQEPSA-N 329.444 3.629 0 50 EHAA Cc1ccc2sc(C(=O)N3CCOC[C@@H]3c3cccn3C)cc2c1 487131722 QSIKERUPPVDOSF-MRXNPFEDSA-N 340.448 3.762 0 50 EHAA Cc1ccc(N2CC[C@@H](CNc3cc(C)nc4cc(C)nn34)C2)cc1 72431164 GJDFSWNIZWGLKS-KRWDZBQOSA-N 335.455 3.593 0 50 EHAA C[C@H]1C[C@H](C(=O)O)CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 263213959 ZNKCXEHNIBDWJN-YOEHRIQHSA-N 338.407 3.928 0 50 EHAA Cc1ccc2nccc(N3CCC[C@H](CCC(=O)N(C)C)C3)c2c1 96141665 CORUUPWPSVCYNX-MRXNPFEDSA-N 325.456 3.628 0 50 EHAA O=C1CCc2cc(C(=O)Nc3nccc4sccc34)c(F)cc2N1 162681433 WQOVRAMWWQLIQY-UHFFFAOYSA-N 341.367 3.572 0 50 EHAA Cc1ncsc1CCC(=O)N1CCC[C@@H](C(=O)c2cccs2)C1 96152921 HGCNCTWLZNCGBL-CYBMUJFWSA-N 348.493 3.567 0 50 EHAA CC(C)[C@H](NC(=O)[C@H]1CCn2ccnc2C1)c1ccc(Cl)cc1F 184002913 KAELZGKMATYBOS-SJCJKPOMSA-N 349.837 3.752 0 50 EHAA Cc1nn(C)c(C(=O)O)c1-c1ccc([C@@H](C)N2CCCCC2)cc1 534658185 CKOIUNWNKAHCKZ-CQSZACIVSA-N 327.428 3.641 0 50 EHAA COc1c(F)cccc1C(=O)N(C)CCOc1cccc(Cl)c1 952974104 PXGYDYLIZOQSLM-UHFFFAOYSA-N 337.778 3.639 0 50 EHAA O=C(c1nc2c(s1)CCCC2)N1CCCC[C@H]1c1ccccn1 952968366 CAZZEPCHVWGGTR-HNNXBMFYSA-N 327.453 3.784 0 50 EHAA 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339.233 3.839 0 50 EHAA O=C(c1ccc(-n2cccc2)nc1)N1CC2(CCC2)[C@@H]1c1cccnc1 898409317 GRDTUKCOJFUKFZ-IBGZPJMESA-N 344.418 3.635 0 50 EHAA N=c1cc(N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(Cl)c[nH]1 2325764469 SBHBLDLHZBJVSU-JTQLQIEISA-N 346.793 3.812 0 50 EHAA COc1ccc2ccnc([C@@H](C)NC(=O)c3cccc(O)c3C)c2c1 2325842830 JRUBBDPMNJEPAM-CYBMUJFWSA-N 336.391 3.748 0 50 EHAA Cc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2cccnc2)n1 2332237381 GMCYMERWWWGCLA-UHFFFAOYSA-N 349.438 3.580 0 50 EHAA CCCc1cc(=O)[nH]c(SCc2ccc(Br)cc2)n1 142246 QPGRUCOXQIFHRJ-UHFFFAOYSA-N 339.258 3.777 0 50 EHAA O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cccs1 331175 QIVRYIZYLPVJQB-UHFFFAOYSA-N 330.356 3.894 0 50 EHAA O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1 367927 GJYGXOBOHNUOJM-UHFFFAOYSA-N 346.386 3.826 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 479653 YPIYABZVOPHNJQ-UHFFFAOYSA-N 325.817 3.848 0 50 EHAA COC(=O)CSc1nc(-c2cccc(C)c2)nc2c1CCCC2 608399 MBLCKBZHEDPNRO-UHFFFAOYSA-N 328.437 3.596 0 50 EHAA 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3.835 0 50 EHAA CSc1ccccc1C(=O)N(C)Cc1cc(-c2ccncc2)no1 82108805 RFNHTQHOOXSQKC-UHFFFAOYSA-N 339.420 3.731 0 50 EHAA COc1cccc(-c2cc(C(=O)N(C)Cc3ccc(C)s3)[nH]n2)c1 91678982 PMMUUCQDNGCFRS-UHFFFAOYSA-N 341.436 3.727 0 50 EHAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1ccc2ncccc2c1 95498964 DWYPHHJYQRGVKC-KRWDZBQOSA-N 337.427 3.668 0 50 EHAA O=C1CCC(c2ccccc2)(c2ccccc2)CN1CCCCCO 91594748 RWCVQNLATQSDDV-UHFFFAOYSA-N 337.463 3.758 0 50 EHAA Cc1nc(C2CC2)ncc1C(=O)N1CCC[C@@](C)(c2ccccc2)C1 91650525 AWHNJKDOZBHNAP-OAQYLSRUSA-N 335.451 3.856 0 50 EHAA Cc1nc([C@@H](C)NC(=O)C2CCN(C3CCCCC3)CC2)c(C)s1 95376072 MAOKPINBCQJGLN-CYBMUJFWSA-N 349.544 3.982 0 50 EHAA CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(OC)cc2C)c1 607794250 AAVDEBWGJMLDNJ-UHFFFAOYSA-N 326.396 3.913 0 50 EHAA Cc1nn(C)c(C)c1C[C@H](C)Nc1cc(Cl)c2cccnc2n1 1336532377 QBADUALWJMLAGR-JTQLQIEISA-N 329.835 3.677 0 50 EHAA COc1ccc(Br)cc1NC(=O)N1CCC=C(F)C1 273266023 YSEUUMWCMURPSH-UHFFFAOYSA-N 329.169 3.549 0 50 EHAA COc1ccc(F)cc1C(=O)Nc1ccc(-c2csnn2)cc1 408526052 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O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCCCCC[C@@H]1O 1857676241 MBENEIOUVIPZCU-OALUTQOASA-N 328.456 3.691 0 50 EHAA O=S1(=O)CCC(n2ccnc2-c2cc(Cl)ccc2Cl)CC1 1857731606 LZZZCBGGAIMYSI-UHFFFAOYSA-N 345.251 3.607 0 50 EHAA Cc1nc2c(C(=O)N3CCC[C@H](Nc4ccccc4)C3)cccc2o1 253420892 NHIFSQWWZIMJQS-INIZCTEOSA-N 335.407 3.853 0 50 EHAA CN(CCCC(C)(C)C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 952879309 CZNLFHXLOXOWPK-GFCCVEGCSA-N 332.414 3.661 0 50 EHAA O=C(N[C@@H](Cc1ccccc1)c1ccco1)c1cncnc1C1CC1 1875297782 CYOKYIOFKDSEHX-KRWDZBQOSA-N 333.391 3.661 0 50 EHAA Cc1nc(-c2cccnc2)[nH]c1C(=O)N1CC=CCC2(CCCC2)C1 1875298324 XBVKSTZVJXCNFS-UHFFFAOYSA-N 336.439 3.743 0 50 EHAA Clc1cc2ccccc2c(N2CCN(Cc3cccnc3)CC2)n1 1875337480 VWQNCMSLSFIPDH-UHFFFAOYSA-N 338.842 3.605 0 50 EHAA C/C(=C\c1cncc(-n2cccn2)c1)C1CN(C(=O)OC(C)(C)C)C1 1875317187 QOHVKDPZFXJCCE-RIYZIHGNSA-N 340.427 3.538 0 50 EHAA CC(C)[C@@H]1CCc2sc(C(=O)NC3([C@@H]4CCCNC4)CC3)cc2C1 1875406039 VJRURFLPBNOGEV-GDBMZVCRSA-N 346.540 3.771 0 50 EHAA 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GARMDYLWECVQLZ-CHWSQXEVSA-N 337.803 3.734 0 50 EHAA Fc1cccc([C@@H]2c3nc[nH]c3CCN2Cc2ccc(F)c(F)c2)c1 67742358 MBYJGSURPDGSGU-LJQANCHMSA-N 343.352 3.975 0 50 EHAA O=C(NCC1=CCCN(Cc2cc(F)ccc2Cl)C1)c1ccco1 65380761 GBVLSJGUFVTWKF-UHFFFAOYSA-N 348.805 3.634 0 50 EHAA COc1ccc(-c2nc(Cn3ccnc3C)c(C)o2)c(OC)c1C 67934162 VZDZRZNMVSZGPW-UHFFFAOYSA-N 327.384 3.529 0 50 EHAA Cc1c(C(=O)NC[C@H](C)Oc2ccccc2F)cnn1C1CCCC1 122973773 LPTVIEWBVSWARO-ZDUSSCGKSA-N 345.418 3.643 0 50 EHAA C[C@H](C(=O)N(C)C)n1cnc(-c2ccccc2)c1-c1ccsc1 65493716 IJDLFYGHVCJNRP-CYBMUJFWSA-N 325.437 3.928 0 50 EHAA Cc1ccc2cc(C(=O)N[C@@H]3CC[C@H]4SCCS[C@@H]34)[nH]c2c1 229987305 FFQBFLZNXWZANH-WQVCFCJDSA-N 332.494 3.586 0 50 EHAA CC[C@@H](NC(=O)C(=O)N[C@H](c1ccccc1)C(C)C)c1ccccc1 252488079 IIXPALUCZKQOBF-MOPGFXCFSA-N 338.451 3.767 0 50 EHAA Cc1cc(C)nc(Nc2cccc(OCc3nc(C4CC4)no3)c2)n1 72150079 NHEQJIZJDWGRBI-UHFFFAOYSA-N 337.383 3.676 0 50 EHAA CCCOc1ccccc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 71749730 YGFNXLNPWPRZCT-LJQANCHMSA-N 343.398 3.828 0 50 EHAA CCCCc1nc(Cl)c(CN2CCc3[nH]nc(C4CC4)c3C2)[nH]1 216116057 XHRZZBOASZRZJL-UHFFFAOYSA-N 333.867 3.565 0 50 EHAA C[C@@H]1CN(Cc2nc(C3CCCC3)no2)C[C@H](c2ccsc2)O1 155578438 WIYCXBOUUWZQGX-IUODEOHRSA-N 333.457 3.751 0 50 EHAA Cc1c(C(=O)NC(C)(C)c2cccs2)nnn1CC1CCCC1 333311395 NPDWMVREMXQANO-UHFFFAOYSA-N 332.473 3.503 0 50 EHAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccco3)no2)cc1 33012298 XNWNCRNGNJYTBQ-MRXNPFEDSA-N 338.363 3.921 0 50 EHAA Cn1cccc1[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 174399082 OTATTZOIDQQXHO-LJQANCHMSA-N 334.423 3.783 0 50 EHAA Cc1cccc(-c2nn3c(-c4c(C)nc5ccccn45)nnc3s2)c1 227142764 UNXDTRCXBDWDQC-UHFFFAOYSA-N 346.419 3.784 0 50 EHAA CC1(C)CN(c2ncccc2C(=O)N2CCCC2)C[C@@H]1c1ccccc1 426647921 MSDRUJPOBNCUML-LJQANCHMSA-N 349.478 3.948 0 50 EHAA Cc1cc2cc(C(=O)N3CC[C@](O)(c4ccccc4C)C3)ccc2o1 91270350 IZFFDMDBFDHSOQ-OAQYLSRUSA-N 335.403 3.783 0 50 EHAA C[C@H]1CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CCCO1 95518308 JBSUHYUADCZADS-HNNXBMFYSA-N 347.418 3.548 0 50 EHAA C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@H]12 253596667 USPYDUPOCUYHQL-RXUDORDSSA-N 332.484 3.776 0 50 EHAA CCc1ccc(Br)cc1C(=O)Nc1nc(C)ncc1C 1337871605 GKHDSUPYQBGKKP-UHFFFAOYSA-N 334.217 3.671 0 50 EHAA CCc1nc2cc(NC(=O)c3ccn(C(C)C)n3)ccc2n1CC 952983229 VIPKXNNQABBMLZ-UHFFFAOYSA-N 325.416 3.648 0 50 EHAA C[C@@H]1C[C@H](N[C@H]2CCO[C@@H]2c2nccn2C)C[C@@H](c2ccccc2)C1 275550788 NJPRDARFMGDSGD-JBDAPHQKSA-N 339.483 3.812 0 50 EHAA Cc1c(NCc2cn(C)nc2-c2ccncc2)cnn1CCC(C)C 170063652 RYTZQTCOCWUZNK-UHFFFAOYSA-N 338.459 3.645 0 50 EHAA CN(Cc1ccccc1OC(F)(F)F)[C@@H]1CCCc2c1cnn2C 170591430 QKGRFSXRUWHSTK-CQSZACIVSA-N 339.361 3.828 0 50 EHAA c1ccc([C@H](NCC2CCC3(CC2)OCCO3)c2nccs2)cc1 192199803 NIKPBBOAPHDWCR-KRWDZBQOSA-N 344.480 3.755 0 50 EHAA CCCc1cnc(C)nc1N1CCC2(CC1)OCCc1sccc12 1704304074 AKYHGGHGKNGDAO-UHFFFAOYSA-N 343.496 3.867 0 50 EHAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775978303 MLYIPTOAVHEWEQ-JZYVYDRUSA-N 348.752 3.593 0 50 EHAA O=C(O)c1cnn(-c2nc(-c3cccs3)cs2)c1C(F)(F)F 5763881 VDBHEQWWNJWTBU-UHFFFAOYSA-N 345.327 3.774 0 50 EHAA Cc1cc(C)c(OCCN2C[C@H](C)O[C@H](C)C2)c(Br)c1 13153560 OKXJVJAKOAJGBF-OKILXGFUSA-N 342.277 3.554 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1ccccc1F)N1CCSCC1 14954276 PTVTWJMJWUHVDB-KRWDZBQOSA-N 329.440 3.923 0 50 EHAA CCn1cc([C@H]2OCCC[C@@H]2NCc2csc(C(C)(C)C)n2)cn1 328652968 WRFSOSGLINXREU-JKSUJKDBSA-N 348.516 3.667 0 50 EHAA O=C(NCCc1cc2ccccc2o1)c1ccc(C(F)(F)F)nc1 123924468 TVFISIDLQDYOEY-UHFFFAOYSA-N 334.297 3.819 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(Br)s1 250101828 GZQMLOCPMLFHIA-WCQGTBRESA-N 344.274 3.728 0 50 EHAA CCOC1(C)CCN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CC1 358674761 DGFWYAKTPVIJEL-UHFFFAOYSA-N 334.847 3.781 0 50 EHAA O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc2nc[nH]c2c1F 828169731 CSYWKWBQKODPLA-UHFFFAOYSA-N 327.363 3.725 0 50 EHAA C[C@@H](NC(=O)c1ccc2ocnc2c1)c1cccc(OC(F)F)c1 1875324595 FCMFCNQBVFXEBE-SNVBAGLBSA-N 332.306 3.920 0 50 EHAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1coc(CC2CC2)n1 1875305074 FOBWBAJMQOTDLI-JCNLHEQBSA-N 340.423 3.747 0 50 EHAA O=C(Nc1cccc(C(F)(F)F)c1)c1scc2c1OCCO2 141696 BFPBORWTUDOVTL-UHFFFAOYSA-N 329.299 3.790 0 50 EHAA CC(C)N(C(=O)c1ccccc1-c1nc(C2CC2)n(C)n1)C(C)C 2100482274 NHMGAOQNOOZJMF-UHFFFAOYSA-N 326.444 3.619 0 50 EHAA CCOC(=O)c1oc(N2CCC[C@@H]2c2cc(F)ccc2F)nc1C 2325780719 KEBVCGPNCLUUOG-CQSZACIVSA-N 336.338 3.779 0 50 EHAA CC1(C)CCc2nc(-c3nc([C@H](N)c4ccccc4)no3)ccc2C1 2325806835 JSXZPVYEFYXDHY-QGZVFWFLSA-N 334.423 3.695 0 50 EHAA Cc1nc(CN(C)Cc2ccc(-c3cccnc3)c(F)c2)n(C)c1C 2325808763 PICSVQRHVXNSSJ-UHFFFAOYSA-N 338.430 3.870 0 50 EHAA Cc1ncc2c(n1)CC[C@H](C(=O)OCCC1=CC[C@H]3C[C@@H]1C3(C)C)C2 2325865151 PFQSIFCSRQTGOF-SZMVWBNQSA-N 340.467 3.816 0 50 EHAA CC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 302782 ROQMCHFIZXNWKS-UHFFFAOYSA-N 326.396 3.786 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(Cl)c1 359999 BGVHQPOMPNPFDV-UHFFFAOYSA-N 343.858 3.653 0 50 EHAA O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(F)cc1 411399 LZPJAGRIKMJMLB-UHFFFAOYSA-N 343.383 3.530 0 50 EHAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(C)cc1 452843 OMNXCRHGIOYJBF-UHFFFAOYSA-N 334.828 3.784 0 50 EHAA O=C(c1cccc(OCc2ccc3cc[nH]c3n2)c1)N1CCCCC1 2356138860 REWOEZPLBRULEA-UHFFFAOYSA-N 335.407 3.768 0 50 EHAA Cc1cccc(C)c1OS(=O)(=O)c1ccc(Br)cc1 2999840 UJRVNNDJKSRZBD-UHFFFAOYSA-N 341.226 3.834 0 50 EHAA O=C(Nc1ccc(Br)cn1)Nc1ccc(F)cc1F 6715544 DXQMVDWEXQVFJN-UHFFFAOYSA-N 328.116 3.766 0 50 EHAA Cc1sc(NC(=O)c2ccc(F)cc2Cl)c(C(N)=O)c1C 6731521 YCTQJRCJPTVUOP-UHFFFAOYSA-N 326.780 3.509 0 50 EHAA CCc1ccc([C@H](NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)C(C)(C)C)o1 225398755 KKWPXPALZFUFQN-HBPKQKSZSA-N 346.471 3.748 0 50 EHAA O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1Cl 28021629 KLDWAJNWFKLQAQ-INIZCTEOSA-N 328.799 3.583 0 50 EHAA CCOc1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 136684087 PIGNSXKZJHBQPT-KDOFPFPSSA-N 337.485 3.675 0 50 EHAA Cc1cccc(-n2nc(C)nc2[C@H]2CC(=O)OC23CCCCC3)c1 65405361 YFGHSZOHYUBGRT-MRXNPFEDSA-N 325.412 3.618 0 50 EHAA Cc1nc2ccc(C(=O)N(C)[C@H](C)c3c(C)nn(C)c3C)cc2s1 216022047 ISEGAUUHTAIKGX-LLVKDONJSA-N 342.468 3.788 0 50 EHAA CSCC1CCN(C(=O)c2c(C)c3cc(F)ccc3n2C)CC1 215185551 GHQVQTAGZHSHEC-UHFFFAOYSA-N 334.460 3.841 0 50 EHAA Fc1ccccc1OC1CN(Cc2ccc(CN3CCCC3)s2)C1 214948916 WDHPJMNKHGOJAA-UHFFFAOYSA-N 346.471 3.746 0 50 EHAA CC(=O)Nc1ccc(C)c(-c2nc(-c3ccc(O)c(F)c3)no2)c1 436879429 NLXLOBOQDPHBQV-UHFFFAOYSA-N 327.315 3.515 0 50 EHAA O=C(O)c1cc(-c2ccc(CN3CCC[C@H](CO)C3)o2)ccc1Cl 215738297 DBBSYWBAHZKYLC-LBPRGKRZSA-N 349.814 3.503 0 50 EHAA O=C1CCCN1c1cccc(C(=O)N2CCCC[C@@H]2c2ccccn2)c1 72408673 YPWUUEPIHQGOBU-LJQANCHMSA-N 349.434 3.576 0 50 EHAA Oc1ccc(-c2noc([C@@H]3C[C@H]3c3c(F)cccc3Cl)n2)cn1 445438759 KWQHDTALBXHELP-NXEZZACHSA-N 331.734 3.901 0 50 EHAA CCc1cc([C@@H](C)NC(=O)c2ccc(-n3nc(C)cc3C)cc2)on1 77428007 PZEOKPCFQUOSPA-CQSZACIVSA-N 338.411 3.531 0 50 EHAA O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1ccn2ccnc2c1 159372753 VUDKYLUNFORBQM-UHFFFAOYSA-N 343.346 3.723 0 50 EHAA C[C@H](c1nncn1C)n1ccnc1C(c1ccccc1)c1ccccc1 72163782 NZUOWPBCQZVLKV-MRXNPFEDSA-N 343.434 3.801 0 50 EHAA CSCc1noc(CN2CCCC[C@H]2CCc2ccc(O)cc2)n1 72154810 VJDWPMUMNUQPTH-HNNXBMFYSA-N 347.484 3.626 0 50 EHAA COc1cccc(F)c1[C@H](C)NC(=O)c1cnc(O)c2ccccc12 241287119 LKCCWGLLIQJZJW-NSHDSACASA-N 340.354 3.579 0 50 EHAA O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 241738511 QYDNSIZCDWHQPW-FDARSICLSA-N 345.870 3.824 0 50 EHAA COc1ccccc1CCNC(=O)Cn1ccc2c(Cl)cccc21 40286883 DMFIYNYGCHGQRW-UHFFFAOYSA-N 342.826 3.662 0 50 EHAA Cc1ccc(-c2ccc(CCC(=O)NCc3n[nH]c4c3CCC4)o2)cc1 426397330 CLAYOYVQIQYCCP-UHFFFAOYSA-N 349.434 3.716 0 50 EHAA COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2)c(C)c1 426487284 CHJHPOSKPBOMPY-MRXNPFEDSA-N 339.435 3.515 0 50 EHAA Cc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@@H](C)C1=CCCCC1 97528951 UTIGWWXXANVHEX-AWEZNQCLSA-N 329.444 3.707 0 50 EHAA COc1ncnc(C)c1-c1ccccc1C(=O)N(C(C)C)C(C)C 426465075 CWXJZXJXYPSNMM-UHFFFAOYSA-N 327.428 3.720 0 50 EHAA Cc1c(CCC(=O)N[C@@H]2CCCc3sc(Cl)cc32)cnn1C 292106717 MWYJTMRKMZRCRR-CYBMUJFWSA-N 337.876 3.570 0 50 EHAA CCc1ccccc1OC1CN(C(=O)c2cccc3c2ccn3C)C1 95365279 XMDKSZYPWXMDRJ-UHFFFAOYSA-N 334.419 3.644 0 50 EHAA CCCOc1cc(C)c(Cl)cc1S(=O)(=O)Oc1ccccn1 231416388 ODMNQIDEPZRBQL-UHFFFAOYSA-N 341.816 3.600 0 50 EHAA CSCC[C@H](C(=O)NCCc1c[nH]c2ccccc12)n1cccc1 263586414 UELCZTNPKQAAPB-GOSISDBHSA-N 341.480 3.623 0 50 EHAA biogenic O=C([C@H](c1ccc(F)cc1)N1CCCCC1)N1CCCCC12CC2 826583302 CPIRURRNOJXFPW-SFHVURJKSA-N 330.447 3.898 0 50 EHAA CC(C)(C)C[C@@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)c1cccnc1 828211449 DZCKIANYIGXWTB-GOSISDBHSA-N 349.438 3.774 0 50 EHAA COc1ccccc1Oc1ccc(NC(=O)CCc2ccncc2)cn1 824827536 HFWHDFQISXXQST-UHFFFAOYSA-N 349.390 3.849 0 50 EHAA CC(C)n1nccc1C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 271774198 ARENGXLSNKPZQF-AWEZNQCLSA-N 333.819 3.761 0 50 EHAA Cc1noc([C@H](N[C@H](C)c2ccc(-n3ccnc3C)cc2)C(C)C)n1 168005592 BDXDAQLGZZDSMX-FZKQIMNGSA-N 339.443 3.920 0 50 EHAA CC[C@]1(C)CN(C(=O)Nc2ncc(Cc3ccccc3)s2)CCO1 191022347 AFMVPQCEEGLKSS-GOSISDBHSA-N 345.468 3.767 0 50 EHAA CC(C)[C@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@@H](c2ccccc2)O1 1529195426 KRBIOQXMIOKRQH-CVEARBPZSA-N 349.381 3.517 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cc(Cl)ccc3F)C[C@H]2C1 1529100168 OZAMMKGHIAHMBP-CUFDPUGPSA-N 338.854 3.670 0 50 EHAA COc1ccc(/C=C(/C(=O)NC[C@H]2CCCO2)c2ccccc2)cc1 859117 SWUHAJHAXLJFDF-YFQSIASUSA-N 337.419 3.531 0 50 EHAA CC(C)N1C[C@@H](CN(C)Cc2ccccc2C(F)(F)F)CCC1=O 1772807440 WMYKUJDVRMBCFW-CQSZACIVSA-N 342.405 3.784 0 50 EHAA COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1OC 12380789 DWKSLPRHSTXRBR-LLVKDONJSA-N 335.787 3.763 0 50 EHAA COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1C 12432071 XAMJTDVBOLHIDT-SFHVURJKSA-N 338.451 3.802 0 50 EHAA CCCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1Cl 18005026 WEUWZYGTTMKDRP-BETUJISGSA-N 345.892 3.795 0 50 EHAA CC(=O)c1cccc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)c1 19228188 YKEMZDYVJDMGRF-HXUWFJFHSA-N 340.442 3.783 0 50 EHAA c1ccc2c(c1)CCC[C@@H]2OCCCNc1ncnc2ncccc12 119478204 RXVDVFVQAWDXOS-SFHVURJKSA-N 334.423 3.921 0 50 EHAA CCCN1C[C@@H]2CC[C@H]1CN(Cc1nn(C)c3cccc(Cl)c13)C2 248008728 BGLHAGZBWSQSBL-CABCVRRESA-N 346.906 3.533 0 50 EHAA CC(C)Oc1ccc(CC(=O)N2CCC(c3nccs3)CC2)cc1 253430248 DYKRTOUBZPEECD-UHFFFAOYSA-N 344.480 3.879 0 50 EHAA NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 33359231 WVLHHLRVNDMIAR-LJQANCHMSA-N 349.482 3.576 0 50 EHAA Cc1cc2nccc(NC(=O)N(Cc3cccs3)C(C)C)n2n1 932441079 VNWNXGBTNTTWQC-UHFFFAOYSA-N 329.429 3.542 0 50 EHAA Cc1ccc([C@H](C)C(=O)N[C@H](CCC(=O)O)Cc2ccccc2)cc1 1875264012 COWSYEVJXZDVPL-QFBILLFUSA-N 339.435 3.691 0 50 EHAA O=C(Nc1cc(C(F)(F)F)c(Cl)cc1F)C1(n2cccn2)CC1 1875392249 LYUNFISDYVOSNE-UHFFFAOYSA-N 347.699 3.822 0 50 EHAA CCCc1[nH]ccc1C(=O)N(Cc1nc(C)cs1)C[C@@H]1CCCO1 1775986527 CDJLJFRESHQMHD-AWEZNQCLSA-N 347.484 3.554 0 50 EHAA CCc1noc(C)c1C(=O)Nc1ccc(Br)cc1F 13325631 SBJYLAQURDTJQQ-UHFFFAOYSA-N 327.153 3.699 0 50 EHAA O=CNCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl 12360418 YNKOKUSSZDDJCY-UHFFFAOYSA-N 345.805 3.556 0 50 EHAA CCc1cccc2c(C(=O)COC(=O)c3cn(C(C)C)cn3)c[nH]c12 2325736138 UFKWEWWWEXCJAM-UHFFFAOYSA-N 339.395 3.547 0 50 EHAA CS(C)(=O)=Nc1ccccc1NC(=O)c1ccnc(C2CC2)c1 891323166 FCKVPXWTCFCZQG-UHFFFAOYSA-N 329.425 3.570 0 50 EHAA COc1ccc(CC(=O)Nc2ccccc2C(F)(F)F)cc1OC 30138 YSDQXFOZSZUTHS-UHFFFAOYSA-N 339.313 3.904 0 50 EHAA COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OC 260835 WKCKCFDBHNNWAG-UHFFFAOYSA-N 335.787 3.927 0 50 EHAA COc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)c(OC)c1 452752 PSNZPDNDPOIFFU-UHFFFAOYSA-N 333.343 3.658 0 50 EHAA CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccccc1 469967 JSEFXKUBKXSVII-UHFFFAOYSA-N 337.448 3.864 0 50 EHAA CCc1cccc(C)c1NC(=O)COc1cccc(NC(C)=O)c1 470808 HMIOSRBMNUZDLB-UHFFFAOYSA-N 326.396 3.533 0 50 EHAA CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 571611 BPGFNBXVULENPF-UHFFFAOYSA-N 341.816 3.548 0 50 EHAA CCn1c(SCc2cccc(OC)c2)nnc1-c1cccnc1 2865776 UUMNUDBDQKBHDW-UHFFFAOYSA-N 326.425 3.661 0 50 EHAA CN(C)C(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12 6704046 YTQDMFXHOICLIQ-UHFFFAOYSA-N 332.403 3.723 0 50 EHAA CCSc1nc(CC(=O)NCc2cccc3[nH]ccc23)cs1 55228148 CCSDNPWNHZALIE-UHFFFAOYSA-N 331.466 3.595 0 50 EHAA Cc1cnc([C@H](C)NCc2cn(-c3cccc(F)c3)nc2C)s1 414373784 ZWWCHIDOTOFZRP-ZDUSSCGKSA-N 330.432 3.936 0 50 EHAA CCCN1CCC(CC(=O)N(Cc2ccncc2)[C@H](C)CC)CC1 55253093 DECXUKNPERYIBB-QGZVFWFLSA-N 331.504 3.721 0 50 EHAA O=C(Nc1ccc2ccccc2c1)c1ccc(CN2CCOCC2)cc1 22185096 TUCYTAJTNZLCEP-UHFFFAOYSA-N 346.430 3.924 0 50 EHAA Cc1cc(CN2CC[C@H](CNC(=O)Nc3ccccc3)C2)oc1C 67920681 AKMKFNNEWSTBIH-MRXNPFEDSA-N 327.428 3.540 0 50 EHAA C[C@H](CC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1)c1c[nH]c2ccccc12 346331963 IAAOQPDPXBTWLH-BZUAXINKSA-N 326.440 3.547 0 50 EHAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1cccn1C 253395089 MEWRVCPIIIPRSN-SCTDSRPQSA-N 338.451 3.891 0 50 EHAA CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2c2cc(C)on2)C12CCCC2 252517099 ZOFAEVWSAZLZQB-YESZJQIVSA-N 347.459 3.567 0 50 EHAA CC(C)[C@H](NCc1ncc(C2CC2)o1)c1ccc2c(c1)OCCO2 253419223 HLAWQIRBEHZRIK-IBGZPJMESA-N 328.412 3.810 0 50 EHAA CC[C@H](C)C(=O)Nc1cccc2c1C[C@@H](C)N(C(=O)[C@@H](C)CC)C2 253427889 BDLGQXOLGLOUCH-SOUVJXGZSA-N 330.472 3.991 0 50 EHAA CCc1[nH]c2ccc(CNc3cc(C(=O)NC4CC4)ccn3)cc2c1C 71419227 JOWPRESLOCVSAY-UHFFFAOYSA-N 348.450 3.938 0 50 EHAA CCc1nccn1CC(=O)N1CCC[C@H](CCc2ccccc2C)C1 71738875 YBANGOFWVJRZQZ-GOSISDBHSA-N 339.483 3.625 0 50 EHAA Cc1nc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c(C)o1 77518156 QQGBSNLQXPCLBZ-UHFFFAOYSA-N 334.803 3.628 0 50 EHAA CN(C[C@H]1CC12CCN(Cc1nc3ccccc3s1)CC2)C1CC1 374287196 JKMCFQYUTPFRJJ-OAHLLOKOSA-N 341.524 3.993 0 50 EHAA COc1ncc(C)cc1NC(=O)c1cc(-c2cccc(Cl)c2)no1 173512233 ZKEUXVTVQOCGHC-UHFFFAOYSA-N 343.770 3.959 0 50 EHAA CN(Cc1ccc2ccccc2n1)C(=O)Cc1cc(F)c(F)c(F)c1 223637850 PFOPFQOZUGSDCZ-UHFFFAOYSA-N 344.336 3.853 0 50 EHAA CCc1nc(CCNC(=O)c2cc(C)nc3cc(F)ccc23)cs1 82109359 OJHJEZOJFFIPRH-UHFFFAOYSA-N 343.427 3.674 0 50 EHAA CC(C)c1cnc(-c2ccc(NC(=O)N3CC[C@H](C)[C@H]3CO)cc2)o1 225507166 IKRRFPIQBUTRFD-XJKSGUPXSA-N 343.427 3.700 0 50 EHAA Cc1ccsc1CCNC(=O)N1CCCN(c2ccccc2)CC1 426531595 LYCMUTFYPGJNNF-UHFFFAOYSA-N 343.496 3.521 0 50 EHAA Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccn(C(F)F)n1 426510285 XZFUHDDTNJDWTR-CYBMUJFWSA-N 335.354 3.619 0 50 EHAA COCC[C@]1(O)CCN(Cc2ccc(-c3ccccc3F)o2)C[C@H]1C 91550402 CZUNPRLYMRFVOP-FOIQADDNSA-N 347.430 3.695 0 50 EHAA Cc1ccc(-c2ccc(C(=O)N3CC[C@H](n4cccn4)C3)s2)o1 291155287 IRTNCZDINFCNHK-ZDUSSCGKSA-N 327.409 3.600 0 50 EHAA O=C(O)c1ccc(C(=O)Nc2ccc(COC3CCCC3)cc2)o1 238046438 PBGIUFNLXZMMPV-UHFFFAOYSA-N 329.352 3.689 0 50 EHAA COCCC(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C 91950943 DFAFLOOZGLKLEK-CQSZACIVSA-N 337.423 3.548 0 50 EHAA CCOCCOc1ccccc1NC(=O)N[C@@H]1C[C@H]1c1ccccc1 96136411 YYKMWZPRYFCMMJ-FUHWJXTLSA-N 340.423 3.780 0 50 EHAA CN1CC[C@]2(CCN(C(=O)Nc3ccccc3OC3CCCC3)C2)C1 292580088 ICHRQCJEMINPAF-FQEVSTJZSA-N 343.471 3.568 0 50 EHAA OC[C@@]1(CC2CC2)CCCN(Cc2cnc(C3CCCCC3)nc2)C1 91645166 GQIDIMPGPZEUNK-OAQYLSRUSA-N 343.515 3.899 0 50 EHAA Cc1ccc(C(=O)c2ccccc2-c2nc(-c3cccnn3)no2)cc1 91586489 PBQHGDIGCZMNRC-UHFFFAOYSA-N 342.358 3.733 0 50 EHAA Cc1ccn2c(F)c(C(=O)N(C)Cc3csc(C(C)C)n3)nc2c1 91574593 GLVFHCSGEBECIB-UHFFFAOYSA-N 346.431 3.634 0 50 EHAA Cc1cc([C@H]2CCCCN2Cc2cc(C(N)=O)oc2C(C)(C)C)no1 244673828 HWILGHMQIZYPDN-OAHLLOKOSA-N 345.443 3.700 0 50 EHAA CC(C)(C)OC(=O)N[C@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 43898870 VKAOZRGFKAVEKA-LLVKDONJSA-N 334.199 3.514 0 50 EHAA O=C(Nc1cccc(CN2CCCC2)c1)c1ccc2c(c1)CCCO2 828166655 UYYFPLZXPAUKGJ-UHFFFAOYSA-N 336.435 3.860 0 50 EHAA Cc1cc(=O)n(C)cc1NC(=O)N[C@H](CC(C)(C)C)c1ccccc1 268414485 VMBKEVAZFDYQNI-MRXNPFEDSA-N 341.455 3.993 0 50 EHAA CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cscn1 164173454 CBNQIEYDPHOVLU-CYBMUJFWSA-N 345.468 3.639 0 50 EHAA CCCn1ccc2ccc(NC(=O)N(C)CCc3cnccn3)cc21 408513771 MEMHXTJSIGWWKA-UHFFFAOYSA-N 337.427 3.548 0 50 EHAA Cc1ccc(-n2nnnc2N2CCC[C@@H](c3ccccc3)CC2)cc1 170620643 XKILCYNZRPRCQR-GOSISDBHSA-N 333.439 3.745 0 50 EHAA CCOc1ccc(N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1Cl 771889149 FUJHKWVMAPWMKN-SFHVURJKSA-N 344.798 3.710 0 50 EHAA CCc1ccccc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 781343401 BRYQEAJSSAKUOP-INIZCTEOSA-N 346.471 3.768 0 50 EHAA CCC(CC)n1nccc1NC(=O)[C@H](c1ccc(C)cc1)N(C)C 1529185344 LDDQXMHKWKCHGJ-SFHVURJKSA-N 328.460 3.794 0 50 EHAA c1ccc2c(C[C@@H]3COC[C@H]3Nc3cc(C4CC4)ncn3)ccnc2c1 1704301061 IIMRTWSSLZMJRF-OXQOHEQNSA-N 346.434 3.572 0 50 EHAA C[C@H]1C[C@H](C)CN(C(=O)CCCCC(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 18085580 HNQLCWVJARYCJT-XLAORIBOSA-N 336.520 3.556 0 50 EHAA CCOc1cc(CN2CCN([C@@H]3CCC[C@H](C)C3)CC2)ccc1OC 19831778 DXNPGRXEKLISFW-PKOBYXMFSA-N 346.515 3.790 0 50 EHAA Cc1cc2c(cn1)CN(C(=O)COc1ccc(Cl)cc1Cl)C2 1857675345 UOTABPCHVOULPU-UHFFFAOYSA-N 337.206 3.618 0 50 EHAA CC[C@H](C(=O)NC1(c2nc(C)cs2)CCOCC1)c1ccccc1 225745482 QMWKPBDBOOVROK-INIZCTEOSA-N 344.480 3.767 0 50 EHAA CC(C)S(=O)(=O)c1ccccc1C(=O)N1C[C@H](C)c2ccccc21 130104341 HGILFWCDKPDVTE-AWEZNQCLSA-N 343.448 3.633 0 50 EHAA CC1(C)Oc2cc3oc(-c4cc(O)cc(O)c4)cc3cc2C[C@H]1O 14610083 QFUCSEIKNTUPPA-GOSISDBHSA-N 326.348 3.585 0 50 EHAA endogenous,in-man CN(C)c1nc2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2o1 1775996655 BWJPIGFHDRXMCJ-UHFFFAOYSA-N 346.390 3.937 0 50 EHAA Cc1cc(F)ccc1[C@H](C)n1cc(C[C@@H](O)c2ccccc2)nn1 899735567 MENLKRIQWULTBG-IFXJQAMLSA-N 325.387 3.611 0 50 EHAA CCOc1ccc([C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 104439 CPTNENMTAHUBJQ-CQSZACIVSA-N 327.380 3.577 0 50 EHAA CCCc1cc(NCc2cccnc2)n2nc3nc(C)cc(C)c3c2n1 5346031 KZGWSNCFXYKYPH-UHFFFAOYSA-N 346.438 3.854 0 50 EHAA CC(C)(C)O[C@H]1C[C@@H](COC(=O)Cc2ccc3cnccc3c2)C1 2325780794 PTXUYEQKOSFKMF-RHNCMZPLSA-N 327.424 3.914 0 50 EHAA Cc1ccc(C)c(N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)c1 262491 ZFLLXUHJHFHDKN-LLVKDONJSA-N 338.666 3.683 0 50 EHAA CCOCCOC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 1771501 JEZRCSUNJXITFS-UHFFFAOYSA-N 347.798 3.786 0 50 EHAA c1ccc(C2(c3csc(N4CCCCC4)n3)CCNCC2)cc1 2356170158 XWGJTVONSZAGNI-UHFFFAOYSA-N 327.497 3.803 0 50 EHAA COc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2)cc1OC 6741841 SUWDZDZALRTURY-GFCCVEGCSA-N 349.814 3.613 0 50 EHAA O=C(COCc1cc(-c2cccs2)on1)Nc1cccc(F)c1 6876577 UVKNIFQCJVCVPN-UHFFFAOYSA-N 332.356 3.698 0 50 EHAA CC[C@H](CO)N(Cc1ccsc1)Cc1ccc(F)c(OC)c1F 55183186 RARDTWJPQXVRHQ-CQSZACIVSA-N 341.423 3.808 0 50 EHAA O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 20301295 HIFBRHUYTZXRDZ-MRXNPFEDSA-N 328.799 3.583 0 50 EHAA Cc1ccc2[nH]c(=O)c(CN3CCC(c4cccc(O)c4)CC3)cc2c1 67974771 MCPJYEZKLGDPBT-UHFFFAOYSA-N 348.446 3.922 0 50 EHAA O=C(O)COc1ccc(NC(=O)[C@H]2Cc3ccccc32)c2ccccc12 346028185 PUQYYOHCIMXRMC-KRWDZBQOSA-N 347.370 3.582 0 50 EHAA CC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H]2c2cccs2)cc1 251016454 ASVTUSWKXGUDDQ-WMZOPIPTSA-N 345.464 3.528 0 50 EHAA Cc1nc(CC(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)cs1 65403301 FJRRKLABXXWZAZ-UHFFFAOYSA-N 343.452 3.749 0 50 EHAA Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2c(C)noc2C)c(C)c1 33086850 JTXCBJHSIMSZNT-MRXNPFEDSA-N 348.468 3.743 0 50 EHAA CCOC(=O)CSc1ncc(-c2cccc(C(F)(F)F)c2)cn1 1400804 UOUAPOAILXLAQY-UHFFFAOYSA-N 342.342 3.818 0 50 EHAA COC(=O)c1sccc1NC(=O)c1cccc(C(F)(F)F)c1 4105000 KPQFPXZMBKGDPG-UHFFFAOYSA-N 329.299 3.806 0 50 EHAA O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1Cc1ccccc1 71769249 UMYUQJBKBWIWSK-UHFFFAOYSA-N 342.398 3.682 0 50 EHAA C[C@H](Nc1ncnc2ccc(F)cc12)c1noc(Cc2ccccc2)n1 356769785 ABKOLOOIZBHXGH-LBPRGKRZSA-N 349.369 3.916 0 50 EHAA CN(Cc1cnc(-c2ccco2)nc1)Cc1cccc2ncccc12 72165247 QGPDVAALMJHRNZ-UHFFFAOYSA-N 330.391 3.917 0 50 EHAA Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1C 33088839 BSFFNNIXUQPMNR-AWEZNQCLSA-N 332.403 3.988 0 50 EHAA C[C@H](c1ccccc1)[C@@H](O)CN1CC=C(c2c[nH]c3ncccc23)CC1 450509342 JVPIKYNPRCDDPX-IERDGZPVSA-N 347.462 3.817 0 50 EHAA Cc1ccccc1[C@H](C)N(C)C(=O)CCc1ccccc1C(=O)O 263519866 GQGFOGVGUOOTGC-HNNXBMFYSA-N 325.408 3.845 0 50 EHAA Cc1ccc(-c2ccc(CCC(=O)N[C@@H](C)c3nc(C)no3)o2)cc1 426525878 IXTARYDRNLYKGT-ZDUSSCGKSA-N 339.395 3.756 0 50 EHAA Nc1nc(-c2ccc(-c3cccc(C(=O)NC4CC4)c3)cc2)cs1 96180087 SLEDLKAZXIUFKE-UHFFFAOYSA-N 335.432 3.952 0 50 EHAA CCCN1C[C@H]2CC[C@@H]1CN(Cc1ccc3c(ccn3CC)c1)C2 95383744 FMAQVNTWIDZVEJ-AZUAARDMSA-N 325.500 3.967 0 50 EHAA Cc1ccc(CN(C(=O)c2cn3cccnc3n2)C2CCCC2)s1 97654041 DXAKNQKHSAWCRE-UHFFFAOYSA-N 340.452 3.684 0 50 EHAA COc1cnc(CN(C)C[C@]2(c3ccccc3)CC2(C)C)cc1O 244574780 CRIKRLPXKARYGE-FQEVSTJZSA-N 326.440 3.596 0 50 EHAA O=C(Cc1ccc2c(c1)CCO2)N[C@@H]1CCCc2c1[nH]c1ccccc21 253401652 FTLRGKHCOXIBBK-LJQANCHMSA-N 346.430 3.839 0 50 EHAA biogenic Cc1cccc2cc(CO)c(C[C@H]3CC(=O)N(c4ccccc4)C3)nc12 252489262 JNFLRQRVPUULBV-INIZCTEOSA-N 346.430 3.631 0 50 EHAA CC(C)c1nc(CCNC(=O)Nc2ccc3c(cnn3C)c2)cs1 299779932 OJCRZTPPLGVKEM-UHFFFAOYSA-N 343.456 3.517 0 50 EHAA CC(C)c1nnc([C@@H](C)NC(=O)Nc2ccc3scnc3c2)o1 299781119 KYOHYXWGNPPZDR-SECBINFHSA-N 331.401 3.685 0 50 EHAA CCCN1C[C@@H]2CC[C@H]1CN(Cc1c[nH]nc1-c1cccc(F)c1)C2 1565526453 OOBIZORMCQHZKT-BEFAXECRSA-N 342.462 3.522 0 50 EHAA Cc1cnc(NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2O)s1 170639231 VWPSEEAOYVUSJD-UHFFFAOYSA-N 342.424 3.719 0 50 EHAA C[C@@H](O)c1ccc(CNCc2c(F)cccc2Br)cc1 192500633 VKERWSMACFBEKU-LLVKDONJSA-N 338.220 3.931 0 50 EHAA CCc1cc(N2CC[C@@H](OCc3ccncc3)C2)c2ccccc2n1 192901385 WGEHZHXFRPPTRN-GOSISDBHSA-N 333.435 3.988 0 50 EHAA CCn1ncc(NC(=O)c2csc(Cc3ccccc3)n2)c1C 1529119419 HIXYINBXCLGICV-UHFFFAOYSA-N 326.425 3.511 0 50 EHAA CN(Cc1cccc2c1oc1ccccc12)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704297790 FFIUSXXFSXCVSI-IXDOHACOSA-N 348.446 3.933 0 50 EHAA CN(C)c1nccnc1N1CCC[C@H](c2nc3ccccc3s2)C1 1704326291 TVHWQUBCHAIHMW-ZDUSSCGKSA-N 339.468 3.536 0 50 EHAA CO[C@@H]1CCC[C@]12CCCN(Cc1ccc(Cn3cccn3)cc1)C2 1704298487 HWJPCRHJTXNVIX-NHCUHLMSSA-N 339.483 3.713 0 50 EHAA Cc1ccc(OCc2nn3c(CSC(C)C)nnc3s2)cc1 1776111001 ILCGZKMLJIYIJB-UHFFFAOYSA-N 334.470 3.715 0 50 EHAA COc1ccc([C@H](CC(=O)NCc2cccnc2)c2ccccc2)cc1 12434818 VYSDBVUDKVRFHJ-OAQYLSRUSA-N 346.430 3.929 0 50 EHAA COc1cccc(-c2nc(CC(=O)Nc3cc(C)ccc3C)no2)c1 16578387 WSFMJQZBCKAVKE-UHFFFAOYSA-N 337.379 3.543 0 50 EHAA Cn1c(=N)n(CCOc2ccc(Cl)cc2Cl)c2ccccc21 19952292 ZHLOTZCCDNWAHG-UHFFFAOYSA-N 336.222 3.845 0 50 EHAA O=C1OC(c2ccccc2Br)=N/C1=C\c1cccs1 4589113 ZRTHJWZDMLTDLA-WQLSENKSSA-N 334.194 3.855 0 50 EHAA Cc1ccc2ncnc(N3CCC[C@@H](c4nc5ccccc5o4)C3)c2n1 1857701478 LIHPFNLWHYXXAJ-CQSZACIVSA-N 345.406 3.858 0 50 EHAA CC(=O)[C@H](C)n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 145080 RAAPKQCTOQNXEV-VIFPVBQESA-N 332.812 3.928 0 50 EHAA Cc1ocnc1-c1noc(C2(c3ccc(Cl)cc3)CCOCC2)n1 333708504 LSDFNKJNTWDALL-UHFFFAOYSA-N 345.786 3.783 0 50 EHAA C[C@H](c1nc(-c2ccccc2)no1)N1CCCC2(CCOCC2)C1 266044524 WXJBIBVVHFVBAN-OAHLLOKOSA-N 327.428 3.690 0 50 EHAA COc1ccc(Br)c(C(=O)NC[C@@H]2CCCC2(F)F)c1 391090353 SEEKKVJSUAQICY-VIFPVBQESA-N 348.187 3.623 0 50 EHAA Cc1cnc([C@@H](C)Nc2cnn(Cc3cc(F)ccc3Cl)c2)[nH]1 2325773878 QRYLCXMDXFJXCH-LLVKDONJSA-N 333.798 3.929 0 50 EHAA O=C(c1cc2n(c1)CCOC2)N1CCC[C@@H](c2c[nH]c3ccccc23)C1 2325783597 KSQVLPMLOXVZGM-OAHLLOKOSA-N 349.434 3.519 0 50 EHAA COc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 2170474 MBQWDEIQZCGNID-UHFFFAOYSA-N 327.424 3.802 0 50 EHAA O=C(NCCOc1ccccc1Cl)c1ccc2ccccc2n1 3000226 DSUOXWWEROHIAI-UHFFFAOYSA-N 326.783 3.697 0 50 EHAA O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc3c(c2)OCO3)on1 3908214 RNRYJSMYZALSSL-UHFFFAOYSA-N 342.738 3.976 0 50 EHAA aggregator COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 4869351 DAPHIDDDHZDNLX-UHFFFAOYSA-N 342.395 3.551 0 50 EHAA CC(=O)Oc1c(C)cc(CN[C@H](C)c2cn3ccsc3n2)cc1C 55393586 YVUWFFZZKCHYPW-CYBMUJFWSA-N 343.452 3.789 0 50 EHAA Cc1oc(-c2cccs2)nc1CN(C)Cc1ccc2nonc2c1 55165887 QEYINZJAXAMDFR-UHFFFAOYSA-N 340.408 3.880 0 50 EHAA Cc1ccc(C[C@H](NC(=O)c2cccc(CO)c2)c2ccccn2)cc1 343472479 JKFAWQKPKRLUTH-NRFANRHFSA-N 346.430 3.596 0 50 EHAA Cc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1 100976435 HAMRNWUBIAERMU-OAHLLOKOSA-N 341.777 3.830 0 50 EHAA O=C(c1ccccc1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67855005 FJGGSZDHQIDREK-LEWJYISDSA-N 331.415 3.830 0 50 EHAA C[C@H]1CCCCN1C[C@H]1CCCN(c2nnc(C(F)F)s2)C1 252486147 FTFUAJAEUGQSQX-NWDGAFQWSA-N 330.448 3.567 0 50 EHAA Cc1sc(NC(=O)CCCC(=O)O)nc1-c1ccc(Cl)cc1 2785362 FAPVYXCQQTXBAC-UHFFFAOYSA-N 338.816 3.965 0 50 EHAA CN1CCCC[C@H]1CCn1cnc2c(Cl)cc(Cl)cc2c1=O 32590384 ZZRCAQFRSBSYLJ-LBPRGKRZSA-N 340.254 3.578 0 50 EHAA Cc1ccccc1SC1CCN(C(=O)c2ccc(CO)cc2)CC1 77389492 CYDSSMTUVFZNAS-UHFFFAOYSA-N 341.476 3.884 0 50 EHAA Cc1nc(CN2CCC[C@@H](c3[nH]ncc3Cc3ccccc3)C2)co1 77565407 KAERFGMULDOIIT-QGZVFWFLSA-N 336.439 3.677 0 50 EHAA CC[C@H](NC(=O)C(=O)N(Cc1ccccc1)C(C)C)c1ccccc1 253411640 QOMKXFSSKWGATN-IBGZPJMESA-N 338.451 3.691 0 50 EHAA Cc1cc(C(=O)N(CC(F)(F)F)C2CCC2)nn1[C@@H](C)C1CC1 253419835 JUIKQXHZQAIMQE-NSHDSACASA-N 329.366 3.720 0 50 EHAA C[C@H](C(=O)Nc1ccc2c(c1)CNCCO2)c1cc2ccccc2o1 361095981 KSGKVZZNQWJRKZ-ZDUSSCGKSA-N 336.391 3.657 0 50 EHAA CC1(C)C(=O)Nc2cc(C(=O)NCc3c(F)cccc3Cl)ccc21 338799001 CEVMJOBMWAJXRP-UHFFFAOYSA-N 346.789 3.639 0 50 EHAA CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)c1cn(C)nc1C 172598812 OYRARGWSUGSERZ-IAQYHMDHSA-N 332.473 3.570 0 50 EHAA COc1cccc2c1OCCCN(Cc1csc(C(C)=O)c1)C2 215277057 DSVYFJYRIPXAJS-UHFFFAOYSA-N 331.437 3.744 0 50 EHAA CS(=O)(=O)c1ccc(CN2CCCC[C@@H]2c2cccc(F)c2)cc1 72149972 MJQFMDPOQUUPOW-LJQANCHMSA-N 347.455 3.956 0 50 EHAA Fc1ccc(CN2CCC[C@]3(CCN(c4nccs4)C3)C2)cc1 72129596 UZWIRYJKUNEIHA-SFHVURJKSA-N 331.460 3.775 0 50 EHAA CC(C)Cc1cc(-c2nccn2Cc2cc(-c3cccnc3)no2)n[nH]1 72147886 MSTXOBQKCAVSIT-UHFFFAOYSA-N 348.410 3.570 0 50 EHAA Cc1ccc(C(=O)N2CCCN(c3ccccc3C)CC2)cc1F 82096830 PFDMZLMLDZQHSD-UHFFFAOYSA-N 326.415 3.795 0 50 EHAA Cc1cc(-c2ccc(C(=O)N(C)CC3(CO)CCCC3)cc2)ccn1 426728171 DJUDSTLXEXTTPE-UHFFFAOYSA-N 338.451 3.682 0 50 EHAA COc1cccc(-c2cccc(C(=O)NCCC[C@@H]3CCOC3)c2)c1 223098578 JQTAXBRUSYMKDC-MRXNPFEDSA-N 339.435 3.909 0 50 EHAA Cc1cccc2[nH]c(C3CCN(C(=O)CCc4ccncc4)CC3)nc12 82087799 IFCCMUXJJZYUFL-UHFFFAOYSA-N 348.450 3.605 0 50 EHAA CC[C@H]1CN(C(=O)c2ccc(-c3ccco3)cc2)CCN1C(C)C 82127117 ZYHPYQLNUWYBSZ-SFHVURJKSA-N 326.440 3.891 0 50 EHAA Cc1[nH]ccc1C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 426599465 BQDHXKRPLRPLAT-LJQANCHMSA-N 325.456 3.670 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 239235777 WRMKUJGQZUHHSR-YXUGBTPSSA-N 331.371 3.790 0 50 EHAA Cc1nc(CNC(=O)C[C@@H](c2ccccc2)c2ccccn2)cs1 95510812 PWFYOTKBMSWFKA-KRWDZBQOSA-N 337.448 3.685 0 50 EHAA COC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3cccs3)nc21 20615150 QJGXFYJKJOBZGV-UHFFFAOYSA-N 337.351 3.579 0 50 EHAA C[C@@H](NC(=O)CCCc1cn[nH]c1)c1ccccc1C(F)(F)F 97370505 IULLLSTWPVWMCX-LLVKDONJSA-N 325.334 3.629 0 50 EHAA Cc1ccccc1[C@H](C(=O)NCc1cc(-c2ccccc2)no1)N(C)C 95381480 LJCXHTODBWXJTC-HXUWFJFHSA-N 349.434 3.569 0 50 EHAA CC1(C)CN(Cc2cc(CN3CCCCC3)cs2)CC[C@]1(C)O 91817614 FGRFSMJVTRQYPB-IBGZPJMESA-N 336.545 3.717 0 50 EHAA CCCOc1c(CNC(=O)N(C)Cc2ccc(C)o2)cccc1OC 534640199 HPTALAGFGUBZNN-UHFFFAOYSA-N 346.427 3.727 0 50 EHAA C[C@H]1CCc2sc(C(=O)N3CCC(c4ccncn4)CC3)cc2C1 298447007 SFBLDAUOQNHRNH-ZDUSSCGKSA-N 341.480 3.683 0 50 EHAA O=C([C@H]1SCCc2sccc21)N1CCC(c2ccncc2)CC1 192267925 ISTVQRMBDXXFIL-KRWDZBQOSA-N 344.505 3.880 0 50 EHAA C[C@@H](C[C@H]1CCOC1)Nc1nc(-c2cccnc2)nc2ccccc12 759700287 NNNPOEPTWIRVMM-LSDHHAIUSA-N 334.423 3.919 0 50 EHAA O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1 5027748 OQDSNEKQMIAGFC-UHFFFAOYSA-N 346.430 3.994 0 50 EHAA CCOC(=O)C1(CCOC)CCN(Cc2ccc(Cl)cc2)CC1 11874282 QJIQYHGCBIIBBN-UHFFFAOYSA-N 339.863 3.522 0 50 EHAA CC(C)Oc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1 12382772 CHQMVPXMPLIWBZ-UHFFFAOYSA-N 340.423 3.563 0 50 EHAA C[C@H](NC(=O)C(C)(C)Oc1cc(Cl)ccc1Cl)[C@@H]1CCCO1 12383222 AQUSPUMZQCMORO-GWCFXTLKSA-N 346.254 3.835 0 50 EHAA CCC(=O)N1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2=O)C1 15074049 UCDYYSPWLJQWOZ-OAQYLSRUSA-N 342.483 3.561 0 50 EHAA CCCCOc1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl 16647964 WGCNNQSRNLOIFS-UHFFFAOYSA-N 340.832 3.715 0 50 EHAA Cc1cc(CNc2ccc(-c3nc(Cc4ccccc4)no3)cn2)no1 19113017 GVMZCJZDNWTYPI-UHFFFAOYSA-N 347.378 3.631 0 50 EHAA CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NCC=Cc1ccccc1OC 1857529003 JYNBPCYJPAOBCO-MJGOQNOKSA-N 344.499 3.581 0 50 EHAA CCCN1CCC[C@@H](n2ccnc2-c2c(F)ccc(OC)c2F)C1 1857672873 KVUSRDXEDIHIJL-CYBMUJFWSA-N 335.398 3.884 0 50 EHAA C[C@H](Nc1ccc(-c2cnc(C3CC3)o2)cc1)C1(O)CCOCC1 1875285460 NXCANFSPFBBBDX-ZDUSSCGKSA-N 328.412 3.561 0 50 EHAA CC(C)n1ccc(Cc2nc(-c3cnc4c(F)cccc4c3)no2)n1 1875334485 PNCSJEIBLVNGMB-UHFFFAOYSA-N 337.358 3.792 0 50 EHAA C=CC(=O)N(C)c1ccc(C(=O)Nc2nccc(C)c2C2CC2)cc1 1875373892 TUTSFJWNQIQZBB-UHFFFAOYSA-N 335.407 3.669 0 50 EHAA CCn1cc([C@@H]2OCCC[C@H]2CN[C@@H](C)c2ccncc2Cl)cn1 886080535 XXVUGSZLVKDERO-SUNYJGFJSA-N 348.878 3.770 0 50 EHAA C[C@H](CC(=O)N1CC[C@H]([C@@H]2CCCO2)C1)c1c[nH]c2ccccc12 894703891 IFJISBDIGOMXEL-VCBZYWHSSA-N 326.440 3.689 0 50 EHAA NCc1nc(CC(=O)N(Cc2ccccc2)C2CCCCC2)cs1 912490017 RFVVBSCSTVTIBA-UHFFFAOYSA-N 343.496 3.506 0 50 EHAA CN(C)C[C@H](c1ccccc1)N(C)C(=O)c1cc2sccc2[nH]1 2325781419 NPASEVUKQLEZMZ-MRXNPFEDSA-N 327.453 3.604 0 50 EHAA O=C1CCN(Cc2ccc(F)c(Br)c2)CC12CCC2 2325869931 BUXJMCLBKGERML-UHFFFAOYSA-N 326.209 3.533 0 50 EHAA CC(C)CNC(=O)COc1ccc(Br)cc1C(C)(C)C 120536 WGDXYISZBDCJMS-UHFFFAOYSA-N 342.277 3.898 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 444586 PETHJMGOBLIXRF-UHFFFAOYSA-N 332.787 3.949 0 50 EHAA COc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1Br 450843 CVJGUVKKYPAAKY-UHFFFAOYSA-N 348.196 3.913 0 50 EHAA COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 528603 CFEDFRXSHUOJHH-UHFFFAOYSA-N 345.342 3.823 0 50 EHAA COc1ccccc1CNC(=O)COc1ccc(C(C)(C)C)cc1 1204888 DEUIGYPYOXHDFJ-UHFFFAOYSA-N 327.424 3.688 0 50 EHAA CC(C)(C)c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 2860670 FUNVNBDTOOIXEZ-MRXNPFEDSA-N 325.408 3.554 0 50 EHAA C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(C(F)(F)F)nc2ccccc21 4107074 FVZGLESQZIKOLB-VXGBXAGGSA-N 339.361 3.845 0 50 EHAA c1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)nc1 4755608 LCFIUIWCUVHYII-UHFFFAOYSA-N 335.455 3.529 0 50 EHAA CCCOc1cc(S(=O)(=O)Nc2ncccc2C)ccc1Cl 4970552 CAESTNLVTNXMPF-UHFFFAOYSA-N 340.832 3.633 0 50 EHAA CCSc1ccccc1C(=O)NCCc1ccc(OC)c(OC)c1 6698036 PPENRUVQCAYXQB-UHFFFAOYSA-N 345.464 3.788 0 50 EHAA Cc1ccc(-c2noc(CNC(=O)c3ccc(C)c(Cl)c3)n2)cc1 6746772 GMFIAOLSIRRXFH-UHFFFAOYSA-N 341.798 3.937 0 50 EHAA CCN1CCC(C(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)CC1 11759132 MYNBUZHCXBBVQM-SFHVURJKSA-N 346.490 3.729 0 50 EHAA Cc1c([C@@H](C)NC(=O)/C=C/c2cccs2)cnn1-c1ccccn1 12196323 UXMSXFAKXUOELJ-MMQHEFTJSA-N 338.436 3.528 0 50 EHAA S=C(Nc1ccc(Cl)c(Cl)c1)N1CCC2(CC1)OCCO2 13784707 NPYZNIXTVZZDBY-UHFFFAOYSA-N 347.267 3.529 0 50 EHAA CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccccc1 17722140 DCIRBJLVXMMCBR-IAQYHMDHSA-N 331.441 3.962 0 50 EHAA Cc1ccccc1C(=O)N[C@@H](NC(C)(C)C)C(Cl)(Cl)Cl 19228740 JUTGVENKSWWTSC-LBPRGKRZSA-N 337.678 3.809 0 50 EHAA O=C(c1ccc(-c2cccc(-c3ccn(CCO)n3)c2)cc1)C1CC1 20601393 DLNMTWHBJXRJLS-UHFFFAOYSA-N 332.403 3.802 0 50 EHAA CN(CCc1ccccn1)Cc1coc2ccc(Cl)cc2c1=O 23281677 IIVSLKZPNJENOQ-UHFFFAOYSA-N 328.799 3.516 0 50 EHAA O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1cccc(F)c1 35476526 YMKKSZGCYCNQJB-OAHLLOKOSA-N 328.343 3.923 0 50 EHAA CC(=O)Nc1cc(NC(=O)COc2ccccc2Cl)ccc1C 48887001 POCJGJIJOSGHIY-UHFFFAOYSA-N 332.787 3.624 0 50 EHAA CCc1noc([C@@H](C)n2cnc(-c3ccccc3)c2-c2cc(C)n[nH]2)n1 67673953 IWADAJLAHVKPGJ-CYBMUJFWSA-N 348.410 3.803 0 50 EHAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3cccnc3)C2)cc1 67691884 NNHHCWFODBVSHF-SFHVURJKSA-N 346.434 3.800 0 50 EHAA NCC[C@H]1CCCN(Cc2c(-c3ccccc3)nc3ccccn23)C1 67975616 ZGWYVQWRGBFPLO-QGZVFWFLSA-N 334.467 3.562 0 50 EHAA O=C(O)c1ccccc1[C@@H]1CCN(Cc2ccccc2-n2cccn2)C1 72164990 DZCKYWXAKGEEOX-MRXNPFEDSA-N 347.418 3.560 0 50 EHAA CCc1nc(C)c(CNC(=O)c2ccc(CCC(C)(C)O)cc2)s1 72412252 CYGRBVBACXDQJD-UHFFFAOYSA-N 346.496 3.647 0 50 EHAA Cc1cc2nc(-c3ccccc3)cc(NCC[C@@H](C)n3ccnc3)n2n1 72412258 OXKZWOAMQYWJKZ-MRXNPFEDSA-N 346.438 3.964 0 50 EHAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1Cc2ccccc2[C@H](O)C1 82121592 NKHLZABEPSTGKC-LJQANCHMSA-N 348.446 3.711 0 50 EHAA CC[C@H]1C=CCN1C(=O)Nc1cccc(NC(=O)C2CCCC2)c1 96131256 UAHIAWXJIBGSRS-KRWDZBQOSA-N 327.428 3.998 0 50 EHAA O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Cl)c(Cl)c1 100546254 TWVBJEWTBDEVNZ-UHFFFAOYSA-N 346.217 3.872 0 50 EHAA Cc1cc(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)c(C)o1 110619636 NPLDBIMXCMZUEE-RHSMWYFYSA-N 332.469 3.771 0 50 EHAA COc1cc(C(=O)N(C)C)ccc1NC(=O)c1cccc(C)c1Cl 119252979 OCUDPWADBUGGIC-UHFFFAOYSA-N 346.814 3.611 0 50 EHAA Cc1cccc([C@@H]2CCCCN2C(=O)c2cccc(C(N)=O)c2)c1C 173513711 KFDOVYLGMGYMOD-IBGZPJMESA-N 336.435 3.770 0 50 EHAA CCCc1csc(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)n1 184023878 UYKXSDACHRZKOJ-UHFFFAOYSA-N 347.488 3.543 0 50 EHAA COc1ccc2nc(C(=O)N(c3ccccc3)[C@H]3CCOC3)ccc2c1 192063118 MLLMXNOVEKKGPS-KRWDZBQOSA-N 348.402 3.679 0 50 EHAA FC(F)(F)COc1cc(NCc2ccc(-n3cccn3)cc2)ccn1 225429452 MWIKHRJSRLXUKC-UHFFFAOYSA-N 348.328 3.821 0 50 EHAA O=C(NCCc1ccc(F)cc1)Nc1ncc(C(F)(F)F)s1 225610154 BOSWBXGGGSTGAK-UHFFFAOYSA-N 333.310 3.665 0 50 EHAA CCSc1ccc([C@@H](C)NC(=O)CC2C[C@@H]3CC[C@H](C2)N3)cc1 236945572 VKHSGCHTBALZNY-ZBSSRIJBSA-N 332.513 3.897 0 50 EHAA C[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2OCc2ccccc2)C[C@@H](C)O1 242106226 WHYLULXTBJLJFL-LHDHZVESSA-N 345.483 3.834 0 50 EHAA CCN(Cc1ccccc1)C(=O)C(=O)N[C@H](c1ccccc1)C(C)C 253410543 HRIIUUWMSVNZPB-IBGZPJMESA-N 338.451 3.549 0 50 EHAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CCc1ccccc1C(=O)O 263565219 FIVOWTHNAITWGA-CYBMUJFWSA-N 343.345 3.507 0 50 EHAA Cc1ccc(-c2ccnn2C)cc1NC(=O)N1CCSC(C)(C)C1 281321221 JROJFYGZXUHVHH-UHFFFAOYSA-N 344.484 3.755 0 50 EHAA COc1c(C)cnc(CN(C)C(=O)c2ccoc2C(F)(F)F)c1C 290112102 ISXAEUUBSBORCT-UHFFFAOYSA-N 342.317 3.591 0 50 EHAA Cc1cccc(C)c1NC(=O)c1c(O)c2cccc3c2n(c1=O)[C@@H](C)C3 299738215 KBTMJHKAXHWMEZ-ZDUSSCGKSA-N 348.402 3.693 0 50 EHAA FCCn1ncnc1CN1CCCC[C@H]1c1nc2ccccc2s1 328588487 QEWMVNBICAPXSG-AWEZNQCLSA-N 345.447 3.585 0 50 EHAA CCn1cc([C@H]2OCCC[C@@H]2NC2CC(c3ccccc3)C2)cn1 328639429 PMDSJRYSZYZTCL-DXBWTPJFSA-N 325.456 3.659 0 50 EHAA C[C@@H](NC(=O)c1cccc(Br)c1F)c1cncc(F)c1 346533787 UPCOQCCIXASTMZ-MRVPVSSYSA-N 341.155 3.613 0 50 EHAA Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C(C)(C)O 408514652 OKAYOQYTFQHIBI-UHFFFAOYSA-N 346.814 3.610 0 50 EHAA CCc1ocnc1C(=O)N(CC)CCc1ccc(C(F)(F)F)cc1 425166109 VOYOTSSIVLSQHQ-UHFFFAOYSA-N 340.345 3.961 0 50 EHAA Cc1cc(-c2ccc(C(=O)NCC(=O)NC(C)C)cc2)ccc1Cl 426414188 BGLUIWHDPZMFSY-UHFFFAOYSA-N 344.842 3.570 0 50 EHAA O=C(CCc1ccccc1C(=O)O)NC1(c2ccccc2F)CCC1 649259973 WQUFVLYQFBWLLA-UHFFFAOYSA-N 341.382 3.652 0 50 EHAA Cc1noc(C)c1CCCNC(=O)CC12CC3CC(CC(C3)C1)C2 753685009 RTYRAKHDPZBPOK-UHFFFAOYSA-N 330.472 3.947 0 50 EHAA C[C@@H](c1cccc(CN2CCN(Cc3cccs3)CC2)c1)N(C)C 823648984 MXFZMXGMLZFTPB-KRWDZBQOSA-N 343.540 3.689 0 50 EHAA CCO[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)C1 885330701 JWPBLALYZRHVDE-INIZCTEOSA-N 346.814 3.778 0 50 EHAA Cc1csc([C@@H]2CCCN(Cc3cccc4nc(O)oc34)C2)n1 891879849 XYEKBSLLBFMBFE-CYBMUJFWSA-N 329.425 3.678 0 50 EHAA O=C(Nc1ncc(C(F)(F)F)s1)N[C@@H](c1ccncc1)C1CC1 931049903 SPXWWUPCVZSAAP-LLVKDONJSA-N 342.346 3.830 0 50 EHAA Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@@H]2C)cc1C 951723487 ULNWIHAINQCQKG-LBPRGKRZSA-N 346.290 3.629 0 50 EHAA CCSCc1nnc2sc(-c3ccc(OC)c(Cl)c3)nn12 1772491415 NYCNGOHMTUJKJU-UHFFFAOYSA-N 340.861 3.768 0 50 EHAA CCc1nc([C@H]2CCCN(CCC(C)C)CC2)n(-c2cccnc2)n1 1772705096 KOZZEEGHXCFWJX-KRWDZBQOSA-N 341.503 3.840 0 50 EHAA Cn1c(Sc2cc(=O)oc3ccccc23)nnc1-c1cccs1 2325843469 GKNXEOUXWLUGER-UHFFFAOYSA-N 341.417 3.801 0 50 EHAA CCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)c2ccccc12 229547 CLYPHKWGOSSFIF-CQSZACIVSA-N 333.453 3.802 0 50 EHAA COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1OC 315769 PKLFGDBGUNXASS-UHFFFAOYSA-N 326.396 3.556 0 50 EHAA CC(C)CNC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 449573 ZXUCCWOMAAIKGD-UHFFFAOYSA-N 344.842 3.907 0 50 EHAA CCOc1cc(CN2[C@H]3CCC[C@@H]2C[C@H](O)C3)c(Cl)cc1OC 2356163123 YQIJXAFIDYSTGA-FICVDOATSA-N 339.863 3.625 0 50 EHAA O=C(COc1ccc(Br)cc1Cl)Nc1cccnc1 4705005 DWIFHWQSPYCUMF-UHFFFAOYSA-N 341.592 3.515 0 50 EHAA COc1cc(CNC2CCCC2)ccc1OC[C@H](O)c1ccccc1 4867598 LEFVRXOMVVUFKQ-IBGZPJMESA-N 341.451 3.840 0 50 EHAA Cc1ccc([C@@H]2CC(=O)c3cnn(-c4nc5ccccc5[nH]4)c3C2)cc1 8992886 NMKBJENVYGEOOV-HNNXBMFYSA-N 342.402 3.970 0 50 EHAA Cc1ccc(C)c(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c1 21806950 SQGWDXUJIIHWPE-UHFFFAOYSA-N 331.725 3.961 0 50 EHAA Cc1ccc(OCC(=O)Nc2nc(-c3ccc(C)s3)ns2)cc1 21806028 JMPZMBSORVTDPD-UHFFFAOYSA-N 345.449 3.901 0 50 EHAA Clc1cc(Br)ccc1OCCCCN1CCOCC1 20118106 QOORRGSUVLRXIF-UHFFFAOYSA-N 348.668 3.594 0 50 EHAA CN(c1ccccc1NC(=O)N1[C@H]2CC[C@H]1CC(O)C2)C1CCCC1 246630072 WXWPZNJDMWHEBB-HOTGVXAUSA-N 343.471 3.585 0 50 EHAA O=C(Nc1ccccc1OC(F)F)c1cccc(-n2cccn2)c1 116618099 ZAIRCNQUEVGSQY-UHFFFAOYSA-N 329.306 3.726 0 50 EHAA Cc1ccc(C(C)(C)C)c(OCCOCCN2C[C@H](C)O[C@@H](C)C2)c1 20166964 RLBQMDYNUFUHGQ-ROUUACIJSA-N 349.515 3.797 0 50 EHAA Cc1c(Cl)c(CN2CCCN3CCC[C@H]3C2)nc2ccccc12 247814538 BXLWPJROONDENE-HNNXBMFYSA-N 329.875 3.867 0 50 EHAA Cc1nnc(CN(C)Cc2c[nH]nc2-c2cccc3ccccc23)o1 23129324 NTPBGBYAYTTXGD-UHFFFAOYSA-N 333.395 3.553 0 50 EHAA Cc1cc(C(=O)N2CCC3(CCO3)CC2)c2ccc(Cl)cc2n1 215795231 CAFGVRCMDUXMLM-UHFFFAOYSA-N 330.815 3.592 0 50 EHAA Cc1ccccc1SC1CCN(C(=O)C[C@@H](C)n2cccn2)CC1 77427154 BLZZXEQXZSUBCK-MRXNPFEDSA-N 343.496 3.926 0 50 EHAA O=C(c1ccnc(O)c1)N1CCC[C@H]1C[C@H]1CCCc2ccccc21 328588976 VXQZPCPJBBXROW-AEFFLSMTSA-N 336.435 3.902 0 50 EHAA O=C(c1ccccc1)N1CCC[C@H]1c1nc(Cc2cccs2)no1 328587309 ZNOJDJBDGCWQQS-HNNXBMFYSA-N 339.420 3.699 0 50 EHAA Cc1nc2ccc(C(=O)Nc3ccc(F)cc3OC(F)F)cc2n1C 356224866 VOKVKRYQOOHSLQ-UHFFFAOYSA-N 349.312 3.875 0 50 EHAA O=C(c1cn(-c2ccccc2)nn1)N1CCCCC[C@H]1c1ccco1 72163677 DRVBLZCHPAQXMI-KRWDZBQOSA-N 336.395 3.618 0 50 EHAA CN(C)C(=O)c1ccc(CN[C@H]2CC(C)(C)CCc3ccccc32)[nH]1 253425547 DEPOCUPQELGCQF-IBGZPJMESA-N 339.483 3.910 0 50 EHAA COC[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2OC(C)C)C1 215954268 ORORABRNULBQAH-CQSZACIVSA-N 341.879 3.994 0 50 EHAA Clc1ccccc1-c1cc(Cn2ccnc2[C@H]2CCOC2)no1 77378835 OXKOETBGJPRLFP-LBPRGKRZSA-N 329.787 3.744 0 50 EHAA C[C@@H](C1CCCCC1)N(C)C(=O)Nc1cc([C@H]2CCCOC2)nn1C 331563437 GSAHSHRWEVUQFJ-HOCLYGCPSA-N 348.491 3.747 0 50 EHAA CN(CCCc1nccn1C)Cc1ccc(CN2CCCCC2)s1 216524066 HNTHAXJPGGNYCM-UHFFFAOYSA-N 346.544 3.532 0 50 EHAA COc1ccc([C@H](C)NC2CCN(CC(F)(F)F)CC2)cc1F 237247806 JKYGPFXYUPIRQC-NSHDSACASA-N 334.357 3.512 0 50 EHAA Cc1cc(N[C@@H]2CC(=O)N(CC(C)(C)C)C2)nc(-c2ccccc2)n1 72133539 KCNOEPIXHVOCEX-MRXNPFEDSA-N 338.455 3.511 0 50 EHAA Cc1nc(C(C)C)cc(N2CCC(c3nccn3CC3CC3)CC2)n1 82121139 ZBXQTECMBZFZDG-UHFFFAOYSA-N 339.487 3.899 0 50 EHAA CCCNC(=O)N[C@H]1CCCc2c1cnn2-c1cccc(C)c1C 91526303 LZZHHKVXPOMRJV-INIZCTEOSA-N 326.444 3.576 0 50 EHAA Cc1sc2nc(CN3Cc4ccccc4C[C@@H]3C)[nH]c(=O)c2c1C 179208046 HIBPPHDHTSJIMA-NSHDSACASA-N 339.464 3.548 0 50 EHAA CCn1nc(C)c(CN2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)c1C 95383916 BNAARUKRYQWQTC-GOSISDBHSA-N 341.455 3.598 0 50 EHAA Cc1nc2cc(C(=O)N[C@H](C)c3nc(CC(C)C)no3)ccc2s1 97514331 SWPWWYWIEJJBCG-SNVBAGLBSA-N 344.440 3.677 0 50 EHAA Cc1cccnc1[C@@H](NC(=O)Nc1cc(C(C)C)nn1C)C1CC1 299772853 CNOBDEJCPHPWPO-KRWDZBQOSA-N 327.432 3.520 0 50 EHAA O=C(c1cccc(Oc2ccccc2)c1)N1CCC(C2(O)CC2)CC1 652672032 XCTZLMCNEFEUBY-UHFFFAOYSA-N 337.419 3.856 0 50 EHAA Oc1cc(Cl)cc(CNc2ccc(CN3CCC(O)CC3)cc2)c1 1352739828 KPVZLGXUVRQRLF-UHFFFAOYSA-N 346.858 3.614 0 50 EHAA Cc1ncccc1C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 187685440 LODJEGUEMFAGJQ-PXAZEXFGSA-N 330.815 3.646 0 50 EHAA CN(C)Cc1ccc(CN(C)C(=O)c2ccc3ncccc3c2)cc1 738516025 JHMFHTYOLUHJJL-UHFFFAOYSA-N 333.435 3.569 0 50 EHAA COC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCC2 38736 SXIXREYSWSWKRU-ZHACJKMWSA-N 327.405 3.675 0 50 EHAA CN(C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1)C1CCCCC1 12431278 FUHDNWVXLNTJIC-QGZVFWFLSA-N 334.504 3.596 0 50 EHAA Cc1cc(F)ccc1-c1nccn1[C@@H]1CCOC2(CCOCC2)C1 1857729246 BDOCBSBHXWEHHI-MRXNPFEDSA-N 330.403 3.898 0 50 EHAA CCc1nc([C@@]2(c3cccs3)CC2(C)C)n(CCc2cnc[nH]2)n1 1857732370 NNKLZLXGYBZOGR-SFHVURJKSA-N 341.484 3.584 0 50 EHAA CSc1cnn(-c2ccccc2)c1NC(=O)N1CCCSCC1 126678179 CBIPKTAGYRJEIG-UHFFFAOYSA-N 348.497 3.565 0 50 EHAA C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 248331667 HQLLRHCTVDVUJB-AZRLMQBVSA-N 332.440 3.721 0 50 EHAA biogenic CC(C)n1cnnc1[C@@H]1CCCN(c2ncc(Cl)cc2Cl)C1 252500942 TZYQXSAKYIFSCS-LLVKDONJSA-N 340.258 3.945 0 50 EHAA Cc1nc(-c2ccccc2)ccc1C(=O)NC1[C@H]2CCC[C@H]1CC(N)C2 261905046 SCAJEEAARUGTKJ-IRDVNMAFSA-N 349.478 3.693 0 50 EHAA Cc1ccc(S(=O)(=O)[C@H](C)c2nnc(-c3cccs3)o2)c(C)c1 864091442 VPHHUSVWRNDXPL-GFCCVEGCSA-N 348.449 3.950 0 50 EHAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@H](C)c1ccncc1Cl 886095441 WMDVZUCEUSIWJI-OMPKRAJASA-N 348.878 3.514 0 50 EHAA CCc1ccc(N2C[C@H](C(=O)Nc3cccc(C)c3C)CC2=O)cc1 60602 ZDASGEBEYWNXCS-QGZVFWFLSA-N 336.435 3.857 0 50 EHAA COc1ccc(-n2c(S)nnc2-c2ccc3ccccc3n2)cc1 5911021 CXJYKQMDRHBWAR-UHFFFAOYSA-N 334.404 3.780 0 50 EHAA Cc1cc(C(=O)N2CCCC2)ccc1NCc1ccnc2[nH]ccc12 2325752166 LHKKNLGKOWACTQ-UHFFFAOYSA-N 334.423 3.719 0 50 EHAA CC(C)(C)c1coc(CNC(=O)Nc2cccc([C@@]3(C)CCO3)c2)n1 2325804086 UTMCXWHZBSTGNO-LJQANCHMSA-N 343.427 3.929 0 50 EHAA COc1ccc2nc(CN3C[C@@H](C)NCc4ccccc43)sc2c1 2325860859 XMLCFEVZNISXOO-CYBMUJFWSA-N 339.464 3.803 0 50 EHAA CC(=O)N(C)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 143415 FDIPTKMFEKWCEQ-UHFFFAOYSA-N 348.402 3.840 0 50 EHAA Brc1ccccc1CN1CCC(N2CCCCC2)CC1 212510 ABMFWSOWVJVGGG-UHFFFAOYSA-N 337.305 3.899 0 50 EHAA CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)OCC)c(Cl)cc12 435253 ZZSHWNPEHJKGGQ-SNVBAGLBSA-N 338.787 3.729 0 50 EHAA COc1cccc(NC(=O)c2cc(Br)ccc2OC)c1 451008 LCXBDRJRDUTDKB-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA CC1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1 463584 RNPUBDXDHRUJSD-UHFFFAOYSA-N 327.819 3.705 0 50 EHAA CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccccc2)c1 479586 AQCCBVYFIRIUPJ-KRWDZBQOSA-N 327.380 3.659 0 50 EHAA O=C(c1ccn(COc2cccc(Cl)c2)n1)N1CCCCCC1 2799260 LYMZAWFTAANHOO-UHFFFAOYSA-N 333.819 3.589 0 50 EHAA CCOc1c(Cl)cc(C(=O)NCCN2CCCCC2)cc1Cl 4278516 WZWVHFXBDWSRHH-UHFFFAOYSA-N 345.270 3.608 0 50 EHAA Cc1cc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cs1 4749326 KYFIJYQZQGXIBD-UHFFFAOYSA-N 328.437 3.935 0 50 EHAA CCCOc1ccc(C(=O)N[C@@H](C)Cc2ccccc2)cc1OC 4856739 BVQPGBQVSNZFDO-HNNXBMFYSA-N 327.424 3.845 0 50 EHAA biogenic CCOc1ccc([C@@]2(C)N(O)[C@H](CC)C(c3ccccc3)=[N+]2[O-])cc1 4872676 ZDBDMQMQRXWMFY-QUCCMNQESA-N 340.423 3.741 0 50 EHAA O=C1[C@H]2CS[C@@H](c3cccs3)N2C(=S)N1C1CCCCC1 6883965 FECLDQJPGTUCRJ-RISCZKNCSA-N 338.523 3.624 0 50 EHAA COc1ccccc1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 8160820 FHILQFHHQBNDBZ-MRXNPFEDSA-N 327.380 3.505 0 50 EHAA CCOc1ccc(-c2nc(CN3CCC[C@@H](OC)C3)c(C)o2)cc1 12057186 SLYBFZZBDDYQPX-QGZVFWFLSA-N 330.428 3.660 0 50 EHAA Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12459439 NBGMOXFUYFIZNU-INIZCTEOSA-N 340.398 3.625 0 50 EHAA O=C(CC[C@@H]1CCCN(Cc2cccnc2)C1)Nc1ccccc1F 12460073 KZTZVVNQWCTFRE-INIZCTEOSA-N 341.430 3.852 0 50 EHAA Nc1nc(N)c2cc(Sc3cccc(C(F)(F)F)c3)ccc2n1 13282326 BFQQHTILCQZRGX-UHFFFAOYSA-N 336.342 3.964 0 50 EHAA CCn1cc(C(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)cn1 15075324 MFRWJTPFCRLTHE-INIZCTEOSA-N 329.419 3.527 0 50 EHAA CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(CC)cc2)cc1 17068635 KSSKTHMAKWPAHH-CQSZACIVSA-N 333.453 3.687 0 50 EHAA CC(C)(C)OC(=O)NC1CN(C(c2ccccc2)c2ccccc2)C1 21300930 BIVZFVCCXSAZAR-UHFFFAOYSA-N 338.451 3.985 0 50 EHAA Cc1cc(O[C@H]2N(c3ccc(Cl)cc3)C(=O)N(C)C2(C)C)no1 22203747 AZZPUFKKDPNMFB-CQSZACIVSA-N 335.791 3.692 0 50 EHAA Cc1noc(-c2ccccc2NC(=O)c2ccc(Br)o2)n1 22461464 DOEBFEHYYUOFJJ-UHFFFAOYSA-N 348.156 3.653 0 50 EHAA N=c1n(CC(=O)c2ccccc2)c2ccccc2n1Cc1ccccc1 23634391 QKCMSJUSFMQZHE-UHFFFAOYSA-N 341.414 3.853 0 50 EHAA Cc1ncnc(N2CCc3onc(-c4ccc(Cl)cc4)c3C2)c1C 67804628 CKBSOCSWCDFFGI-UHFFFAOYSA-N 340.814 3.965 0 50 EHAA CC(C)[C@H]1CN(C(=O)c2cc3sccc3[nH]2)CCCN1CC1CC1 71748213 MYZDQSTXVJBTFF-QGZVFWFLSA-N 345.512 3.812 0 50 EHAA CN(C)c1ncc(CN2CCCC[C@H]2CCc2ccc(O)cc2)s1 72137269 NHMIGMNKVHUKJW-INIZCTEOSA-N 345.512 3.902 0 50 EHAA CC(=O)Nc1cccc(-n2ccnc2-c2cccc(-n3cccn3)c2)c1 72140136 FQGQAWFITNRLJR-UHFFFAOYSA-N 343.390 3.683 0 50 EHAA CCCC(=O)Nc1ccc(-n2ccnc2-c2cnc(CC)nc2)cc1C 77485327 FYTHYHGHAIGUNB-UHFFFAOYSA-N 349.438 3.939 0 50 EHAA O[C@H](Cc1ccccc1)C1CCN(c2nc(-c3ccccc3)no2)CC1 77519378 CYAFSVGJRABZBP-LJQANCHMSA-N 349.434 3.557 0 50 EHAA O=C1[C@H]2CC[C@H](CN(Cc3ccc4occc4c3)C2)N1CC1CCC1 91526685 MRWBVKRNRJEZGQ-RBUKOAKNSA-N 338.451 3.656 0 50 EHAA CCCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 101359446 FKHDYDYCAMBLJJ-RNIPGJKVSA-N 337.419 3.733 0 50 EHAA CC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 153987199 BYUBFCYEIVAKTP-CQSZACIVSA-N 348.358 3.700 0 50 EHAA C[C@@H](NCc1cc(N(C)C)nc2ccccc12)c1ccc2c(c1)OCO2 154493857 HEKPUIFJQAKCQD-CQSZACIVSA-N 349.434 3.880 0 50 EHAA O=C(NC1CCN(CC2CC2)CC1)c1cc2cc(F)ccc2s1 194231096 RORAIOSBALKFJY-UHFFFAOYSA-N 332.444 3.645 0 50 EHAA Nc1c(Cl)ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1Cl 242389422 ZXDFZPHHRDLTNM-PVXIVEMSSA-N 333.218 3.644 0 50 EHAA O=C(CC1=CCCC1)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244811574 SHCKWQSMHVWHDM-PLMTUMEDSA-N 336.435 3.663 0 50 EHAA COC(=O)c1nc([C@@H]2CCCN2c2nc3ccccc3o2)sc1C 253430198 KBBXSOFZMOHEDA-LBPRGKRZSA-N 343.408 3.721 0 50 EHAA COCCc1ccccc1NC(=O)N1Cc2ccccc2OC[C@H]1C 253430305 IQIGRIXMHZKXDM-OAHLLOKOSA-N 340.423 3.691 0 50 EHAA CC(C)c1noc(Cc2ccc(NC(=O)NCc3ccco3)cc2)n1 284442269 QGQGXTPDTAZBME-UHFFFAOYSA-N 340.383 3.699 0 50 EHAA Cc1cnc(C2CCN(C(=O)c3oc(C(C)C)nc3C)CC2)s1 293064826 GRYPKVMIKFRMMK-UHFFFAOYSA-N 333.457 3.891 0 50 EHAA CC[C@H](COCC(F)(F)F)NC(=O)c1ccc(F)cc1Cl 295462878 QAZOGZCODSWXJT-SECBINFHSA-N 327.705 3.566 0 50 EHAA CCC(CC)n1ncc(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2)c1C 408520849 OUIRUJSTKKMMQM-MJGOQNOKSA-N 341.455 3.501 0 50 EHAA CNC(=O)c1ccc(-c2ccc(C(=O)N3CCCCCCC3)cc2)o1 426368302 LOHLEUYTNLJETB-UHFFFAOYSA-N 340.423 3.713 0 50 EHAA COc1cccnc1-c1cccc(C(=O)N2CCC(F)(F)CC2)c1 426434136 QLZZLIQFUDBNBR-UHFFFAOYSA-N 332.350 3.629 0 50 EHAA NC1(c2nc(-c3cccc(N4CCCC4=O)c3)cs2)CCCC1 434658663 HFQVGPYCOXESSU-UHFFFAOYSA-N 327.453 3.665 0 50 EHAA O=C(Nc1ccc2c(c1)CNC2)[C@@H]1C[C@H]1c1c(F)cccc1Cl 449674689 WFHIRIQHVFLKOH-ZIAGYGMSSA-N 330.790 3.825 0 50 EHAA COC1(c2nc(-c3ccnc(-n4ccnc4)c3)no2)CCCCCC1 904003884 NXROYBUEJYDHAT-UHFFFAOYSA-N 339.399 3.513 0 50 EHAA Cc1c(NC(=O)CCc2ccccc2C(=O)O)cnn1C1CCCC1 910657110 XJGCZZSLNUMIGX-UHFFFAOYSA-N 341.411 3.576 0 50 EHAA Cn1cc(NC(=O)N2CCCCc3ccccc32)c(C(F)(F)F)n1 930813579 AKLOPWZSTPFTQT-UHFFFAOYSA-N 338.333 3.814 0 50 EHAA CCN1CCCC[C@H]1CNCc1cc2ccc(Cl)cc2nc1O 952971441 OIGVKRGCELWCBC-INIZCTEOSA-N 333.863 3.558 0 50 EHAA Cc1ccc2oc(N3CCC[C@H]3c3nc(-c4ccccn4)no3)nc2c1 1529141784 PRGCENHQTWBEOZ-HNNXBMFYSA-N 347.378 3.923 0 50 EHAA CC(C)(C)c1ccc([C@H](O)CCC(=O)NC2([C@H]3CCCO3)CC2)cc1 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CN(C)CCCNC(=O)N1c2ccccc2Sc2ccccc21 2361035 RIQIQGRYHDMRHF-UHFFFAOYSA-N 327.453 3.951 0 50 EHAA CCOC(=O)c1cc(-c2ccccc2)nn1CC(=O)c1ccc(C)cc1 2520665 VISIZHMQHAMFSO-UHFFFAOYSA-N 348.402 3.918 0 50 EHAA CC(C)(C)OC(=O)N1C[C@H](CCCc2ccccc2)C[C@H]1C(=O)O 4241502 OCUJXRNPSZBQPM-CVEARBPZSA-N 333.428 3.720 0 50 EHAA COc1ccc(NC(=O)CCc2ccc(OC)c(Cl)c2)c(OC)c1 4542048 QLQWZVBZPNABOM-UHFFFAOYSA-N 349.814 3.937 0 50 EHAA CCCN(Cc1ccc(SC)cc1)Cc1cnc(COC)nc1 55393170 CFTDDGHFEHSABF-UHFFFAOYSA-N 331.485 3.757 0 50 EHAA Cc1occc1C(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 225404358 KZFLYMUNYXZZEJ-ABAIWWIYSA-N 339.313 3.555 0 50 EHAA CC(C)c1nc([C@H](C)NC(=O)c2c[nH]c(=O)c3ccccc23)cs1 225540749 LMEORRLRDZBHCX-NSHDSACASA-N 341.436 3.599 0 50 EHAA CCCc1nc(CN(CC)Cc2ccc([C@H]3CCCCO3)o2)no1 55370666 NVIWNRUDHAIDJC-OAHLLOKOSA-N 333.432 3.879 0 50 EHAA CN(C)[C@@H](CNCc1c[nH]nc1-c1ccc(F)cc1)c1cccs1 53945847 MSSSSGHHGIYLOC-INIZCTEOSA-N 344.459 3.670 0 50 EHAA CC(C)(C)c1ncc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cn1 114812564 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Cc1cccc(-c2nccn2[C@@H](CCn2cncn2)c2ccccc2)n1 71777081 PATKJGOPSFCMPT-IBGZPJMESA-N 344.422 3.525 0 50 EHAA CC(C)(C)C(=O)N1CCOc2ccc(NC3CCSCC3)cc21 125938290 IOFREQNAAPQUKU-UHFFFAOYSA-N 334.485 3.766 0 50 EHAA FC(F)(F)Oc1ccccc1CN1CC[C@H](N2CCCCC2)C1 215951646 HIHRCYVJSDCERU-HNNXBMFYSA-N 328.378 3.645 0 50 EHAA CC[C@H](NS(=O)(=O)c1cccc2cccnc12)c1ccc(C)cc1 14219724 VVLXDNCAFKYGGE-KRWDZBQOSA-N 340.448 3.973 0 50 EHAA COc1cc(CNC(=O)N2CCCCC[C@H]2c2ccco2)ccc1O 77550498 JVEWDJXZORZDFJ-HNNXBMFYSA-N 344.411 3.821 0 50 EHAA O=C(N[C@H]1CCO[C@@H](c2cccnc2)C1)N1CCCC12CCCCC2 334090301 NUXDXIONXOOFIF-ZWKOTPCHSA-N 343.471 3.810 0 50 EHAA Cc1ccc(-c2cncc(C(=O)N[C@H](C(=O)O)c3ccccc3)c2)cc1 237736538 XLAUZMKCXKSYAS-IBGZPJMESA-N 346.386 3.613 0 50 EHAA CC1(C)C(C(=O)N2CCC(n3cc(C4CCCC4)nn3)CC2)C1(C)C 48246269 UTPBOGSRVYQCPU-UHFFFAOYSA-N 344.503 3.781 0 50 EHAA CCCc1noc([C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n1 91846334 GLIXTCCEYMCHJS-CQSZACIVSA-N 347.846 3.624 0 50 EHAA CCCc1nc(C)cc(N2CCC(N[C@H](C)c3nccs3)CC2)n1 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EHAA COc1ccc(/C=C/CN[C@H](C)CN2CCc3ccccc3C2)cc1 952863509 WSWIZZDTAHPISB-DUMMIQTOSA-N 336.479 3.745 0 50 EHAA COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(C)=O)c(OC)c1 170614212 NQXFLSNJSXHNNP-LJQANCHMSA-N 338.407 3.710 0 50 EHAA CCOC(=O)[C@@H]1CCC[C@@H](CNc2ccccc2O[C@@H]2CCOC2)C1 170616068 JHCWDBUFZMMZRW-BRWVUGGUSA-N 347.455 3.636 0 50 EHAA CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(O)c1OC 170618948 ZCYWMVRPLDMRQF-CYBMUJFWSA-N 330.409 3.550 0 50 EHAA CCCN(C[C@H]1CCCCO1)C(=O)c1c[nH]nc1-c1ccsc1 186701789 FZTONHUGNDFATE-CQSZACIVSA-N 333.457 3.560 0 50 EHAA CC[C@@H](OC1CCCC1)C(=O)NC(C)(C)c1nc2ccccc2n1C 186806798 HXCUVZFHBNIACZ-QGZVFWFLSA-N 343.471 3.662 0 50 EHAA CC[C@@H](C)NC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F 649474180 TZCUWITTXHWIKI-SNVBAGLBSA-N 338.333 3.767 0 50 EHAA COc1cccc2c1OCCCN([C@@H]1CCN(c3ccccc3)C1)C2 1506407989 ZWNIQCGCFJUJHP-LJQANCHMSA-N 338.451 3.559 0 50 EHAA Cc1cccc(C(=O)N[C@H](NC(C)(C)C)C(Cl)(Cl)Cl)c1 19228717 NVIWTGAZEAERMP-GFCCVEGCSA-N 337.678 3.809 0 50 EHAA COc1cc(=O)n2c(c1C(=O)Nc1cccc(C(C)C)c1)CCCC2 169752873 QUPCABQZUTUYET-UHFFFAOYSA-N 340.423 3.569 0 50 EHAA CC(C)(C)c1ccc2oc(N3CCC4(CCC(=O)NC4)CC3)nc2c1 1857668733 GDJZSMMDTWCLKK-UHFFFAOYSA-N 341.455 3.622 0 50 EHAA O=C(O)c1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)cc1 2527191 XAOKKIBZXDQKGS-UHFFFAOYSA-N 339.391 3.901 0 50 EHAA in-vitro CC1(c2nccc(NC(=O)c3ccccc3OC(F)(F)F)n2)CC1 788120868 JNTSXZHALRIUKB-UHFFFAOYSA-N 337.301 3.679 0 50 EHAA O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CC2CCC1CC2 371452506 VUIOJIASFLCFMN-UHFFFAOYSA-N 334.419 3.698 0 50 EHAA CC1CCN(c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ncn2)CC1 243310463 LHJFNWLOCSWIGJ-UHFFFAOYSA-N 348.809 3.758 0 50 EHAA C[C@@H](C(=N)NOCCCOc1cccc(C(C)(C)C)c1)n1ccnc1 2325731513 JCWUOAGTCOPOPI-HNNXBMFYSA-N 344.459 3.709 0 50 EHAA Cc1ccc(NS(C)(=O)=O)cc1-c1cc([C@@H](C)O)ccc1Cl 2325797884 KCRRZYFXECGVAF-LLVKDONJSA-N 339.844 3.740 0 50 EHAA COc1ccc2nc(NC(=O)COc3cccc(Cl)c3)sc2c1 144541 WTOIJLDVVWTBSR-UHFFFAOYSA-N 348.811 3.976 0 50 EHAA CCC(=O)NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F 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CN(CCC1CCOCC1)C(=O)CSCc1ccccc1Cl 55108498 GYOKSDULACJZIJ-UHFFFAOYSA-N 341.904 3.848 0 50 EHAA COc1ccccc1CN(Cc1cccc(C)c1)C(=O)c1ccnnc1 55254624 PRCNAXUNLICOMC-UHFFFAOYSA-N 347.418 3.636 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(F)c2)c(F)c1 20293313 GAGJXPMAQWYFMD-KRWDZBQOSA-N 344.361 3.517 0 50 EHAA CC(C)c1noc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)cc12 248153782 CNUMSGGFUUICDC-MOVJQLJTSA-N 339.439 3.901 0 50 EHAA Cc1ncc(CN2CCOc3c(O)cc(-c4ccccc4C)cc3C2)[nH]1 67654181 KXCUCRPIEVHBJB-UHFFFAOYSA-N 349.434 3.794 0 50 EHAA CC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1cnn2cccnc12 65535776 KFKMMSKMTPZXTC-INIZCTEOSA-N 347.422 3.857 0 50 EHAA CC(C)(C)NC(=O)c1ccc(NC(=O)CCCC2CCOCC2)cc1 280896671 DIHMNNYMLQPJKC-UHFFFAOYSA-N 346.471 3.750 0 50 EHAA Cc1cc(C(=O)NCC[C@@H](C)n2ccnc2)c2ccc(C)c(C)c2n1 77342486 LFQLVFYKOKINKZ-OAHLLOKOSA-N 336.439 3.738 0 50 EHAA C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CCO)cc1 252508119 XDHZWAZRNIHZRS-OAHLLOKOSA-N 335.403 3.781 0 50 EHAA Cc1ccc(NC(=O)C2CC2)cc1N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 253369550 DXWVIULFMMBWTJ-KBAYOESNSA-N 326.440 3.713 0 50 EHAA O=C(N[C@H]1COc2ccccc2C1)c1ncsc1-c1ccccc1 252548545 QBGCMBRLEMJLNH-OAHLLOKOSA-N 336.416 3.544 0 50 EHAA CCc1cc(C(=O)OC)c(NC(=S)N2CCC(C)CC2)s1 6708397 VCXZSGHMZXCLGP-UHFFFAOYSA-N 326.487 3.526 0 50 EHAA Cc1nc2ccccc2nc1CN1CCC([C@H](C)N2CCCC2)CC1 72454106 MEVDMBXCXRFPGS-KRWDZBQOSA-N 338.499 3.635 0 50 EHAA CCN(C(=O)c1ccnc(-c2ccccc2)c1N)[C@@H](C)c1cccnc1 253417562 AOWOZXABNWESAU-HNNXBMFYSA-N 346.434 3.949 0 50 EHAA c1ccc(Cn2cccn2)c(CN2CCCC[C@@H]2CCn2cccn2)c1 216256158 HUKUXTJAOZEVEH-OAQYLSRUSA-N 349.482 3.573 0 50 EHAA COCc1nc2cc(C)ccc2n1Cc1nc(-c2cccs2)no1 72152953 JRCZEWLEVHJLGF-UHFFFAOYSA-N 340.408 3.651 0 50 EHAA O=C(N[C@@H]1CCOc2c(F)cccc21)[C@@H]1CCCc2c(O)cccc21 356835422 YKVOJYDXISJCSA-RHSMWYFYSA-N 341.382 3.591 0 50 EHAA O=C(c1ccccc1OCC1CC1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 253623475 VTYVZXSWIIEILY-BHIYHBOVSA-N 343.467 3.631 0 50 EHAA O=C(NC[C@H]1CCn2ccnc2C1)N(c1ccccc1)c1ccccc1 364563169 HCZWVGHAHIYTSV-KRWDZBQOSA-N 346.434 3.993 0 50 EHAA COc1cccc(CN(C)C(=O)c2ccc(CCC(C)(C)O)cc2)c1 72453677 CMQGTFWLRLDDDK-UHFFFAOYSA-N 341.451 3.671 0 50 EHAA CC(C)Oc1ccc(C(=O)O)cc1NC(=O)c1cc(F)ccc1F 236635551 SBMWJNOIUAZMRY-UHFFFAOYSA-N 335.306 3.703 0 50 EHAA O=C(CSC1CC1)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 450187876 MEUKABHFVHNJNS-UHFFFAOYSA-N 341.358 3.725 0 50 EHAA CC(C)OCCNC(=O)c1ccc(-c2ccc([C@H](C)O)cc2)cc1 426360010 BJPZBQFQJOSWGM-HNNXBMFYSA-N 327.424 3.562 0 50 EHAA Cc1ccc(F)c(C(=O)NCC[C@@H]2COc3ccccc3O2)c1Cl 221172849 XLVWKTHGTOAUNT-GFCCVEGCSA-N 349.789 3.747 0 50 EHAA Cc1cc(N[C@H](C)c2nnc(C(C)C)o2)nc(-c2ccccc2O)n1 91391451 APQFPDDNJAYZJZ-GFCCVEGCSA-N 339.399 3.837 0 50 EHAA Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(C(F)(F)F)nc2Cl)o1 294887400 ZTFGUFLVXSSDMP-ZCFIWIBFSA-N 347.724 3.850 0 50 EHAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCCC[C@@H]1c1cccc(F)c1 244633159 FXTISYQXRYFRQA-CYBMUJFWSA-N 341.308 3.935 0 50 EHAA CC(C)n1ncc2cc(C(=O)N3CC[C@@H](c4ccccc4)C3)cnc21 299349645 SKJJARYYEMIYBS-MRXNPFEDSA-N 334.423 3.642 0 50 EHAA O=C(CCc1cccc2c1OCO2)N1CCC[C@H]1Cc1ccccc1 184949148 XFPAWJMTYYRKDK-SFHVURJKSA-N 337.419 3.582 0 50 EHAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)c1cccc(C)c1C 952982240 WYLNGNNWHLKHOH-UHFFFAOYSA-N 337.379 3.923 0 50 EHAA COc1ccc(NC(=O)c2nc(C)sc2-c2ccc(F)cc2)cn1 888103884 IAGODOYKKSLDMN-UHFFFAOYSA-N 343.383 3.914 0 50 EHAA Cc1cccc(-n2cc(CNCCCn3ccnc3C(C)C)cn2)c1 952991035 ZFDGYFJTTUTLRC-UHFFFAOYSA-N 337.471 3.681 0 50 EHAA CC[C@@H](NC(=O)CCc1c(C)nn(C)c1C)c1ccc(C)c(C)c1 952967044 YRCHTCDODNMCAV-LJQANCHMSA-N 327.472 3.854 0 50 EHAA Cc1ccc([C@H]2CN(C(=O)c3ccc4cc[nH]c4c3)C[C@@H]2N(C)C)cc1 1565517195 QGDCAFYXDSRLDL-CTNGQTDRSA-N 347.462 3.646 0 50 EHAA Cc1csc([C@@H]2COCCN2Cc2c(F)cccc2Cl)n1 189257015 WNYVOZNAENWPRB-AWEZNQCLSA-N 326.824 3.818 0 50 EHAA Cc1nc([C@H](C)NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 195530056 HSQXJINNYHOKAH-GDPRMGEGSA-N 335.395 3.933 0 50 EHAA CN(C(=O)c1cccs1)[C@H]1CCCN(CCc2ccccc2)C1 11717830 WKEPDDPZWZQBDA-KRWDZBQOSA-N 328.481 3.527 0 50 EHAA CCCc1ccc2oc(C(=O)N[C@H](CO)CCSC)c(C)c2c1 12590263 BSYUXTXRQRATSG-AWEZNQCLSA-N 335.469 3.538 0 50 EHAA COc1cccc(-c2ccnc3nc(Cc4ccc(F)cc4)nn23)c1 169774040 YFCKBQJRTHJRIS-UHFFFAOYSA-N 334.354 3.530 0 50 EHAA Cc1nc(-c2cc(-c3ccc(Cl)cc3)on2)n([C@H]2CCOC2)n1 1857701415 UUNKTGWBXVIYBB-ZDUSSCGKSA-N 330.775 3.523 0 50 EHAA CC(C)Sc1ccc([C@H](C)NC(=O)N2CC[C@@H](CN(C)C)C2)cc1 129890697 CBZCGVJMOYRCLH-HOTGVXAUSA-N 349.544 3.841 0 50 EHAA O=C(c1ccc(C2CCCCC2)cc1)N1CCC[C@H](n2ccnn2)C1 333286235 NIXCYPKGKZOIKS-IBGZPJMESA-N 338.455 3.803 0 50 EHAA CN(CC(F)(F)F)C(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 452028439 ZSVJOGVFOHCPSC-ZDUSSCGKSA-N 340.349 3.704 0 50 EHAA COc1ccccc1-c1[nH]nc(NC(=O)c2cnc(C3CC3)o2)c1C 889442644 VOOXDLOLUQZZKH-UHFFFAOYSA-N 338.367 3.511 0 50 EHAA Cc1nc(-c2noc(-c3cccc(OCc4cccnc4)c3)n2)[nH]c1C 1775988696 ATHXBLUFPCTLSM-UHFFFAOYSA-N 347.378 3.718 0 50 EHAA CO[C@]1(C)CCCN(C(=O)c2cccc(C)c2Br)CC1 253427844 AZAHXLYTESDYFW-MRXNPFEDSA-N 340.261 3.789 0 50 EHAA O=C(O)c1cccc(O[C@H]2CCN(Cc3ccc(F)cc3Cl)C2)c1 2325791856 DDBCPRYQDFVERG-INIZCTEOSA-N 349.789 3.831 0 50 EHAA CCOc1ccc(C[C@H](C)CNC(=O)C2CC3(CC[C@@H]3OC)C2)cc1 2325806421 SEPUZDBDAWKKJY-DFPSAMBMSA-N 345.483 3.585 0 50 EHAA N[C@@H]1CN(Cc2ccc(-c3nc4ccccc4s3)o2)CC(F)(F)C1 2325859775 JZULSNBNJIMVTF-NSHDSACASA-N 349.406 3.725 0 50 EHAA CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1ccc(N(C)C)nc1 113861081 ZWMSUTQAYXZJBK-UHFFFAOYSA-N 349.438 3.844 0 50 EHAA COc1ccc(CN2CCN(c3ccccc3F)CC2)c(C)c1C 294068 PJVOJTWCZZTGLG-UHFFFAOYSA-N 328.431 3.773 0 50 EHAA COc1ccc(C)cc1NS(=O)(=O)c1ccc2ccccc2c1 299079 NKQQPUQBLFDBSO-UHFFFAOYSA-N 327.405 3.958 0 50 EHAA COc1ccccc1OCC(=O)Nc1nc2ccc(Cl)cc2s1 1062608 NLRXEVMYIXPGPV-UHFFFAOYSA-N 348.811 3.976 0 50 EHAA CCC(=O)Nc1ccc(OC(=O)c2ccc(Br)o2)cc1 8905481 JMEFFASVVXACIS-UHFFFAOYSA-N 338.157 3.610 0 50 EHAA CC(=O)c1ccc(N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)nc1 245632842 VZXBSNOCHVGXJB-ZWKOTPCHSA-N 328.387 3.516 0 50 EHAA CC(C)n1cc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)cn1 23373054 VAGCDBVUQFMOTF-HXUWFJFHSA-N 326.488 3.560 0 50 EHAA CCc1noc([C@H](C)N[C@H](C)Cc2cccc(C(F)(F)F)c2)n1 65430543 VRDNJKFUJRCKEC-MNOVXSKESA-N 327.350 3.933 0 50 EHAA c1cncc(CCc2nc(C3CC3)nn2-c2nccc3ccccc23)c1 65371938 ZSUIBEXGXQKBKO-UHFFFAOYSA-N 341.418 3.873 0 50 EHAA c1ccc(OCc2noc(CN3CC[C@@H]4CCCC[C@H]4C3)n2)cc1 12019839 QOXIHFFSOHRZBW-HOTGVXAUSA-N 327.428 3.661 0 50 EHAA O[C@@H]1CN(CCCC2CCCC2)CC[C@H]1c1ccc2c(c1)OCO2 67714698 TZJQNYGQGBQDNH-ZWKOTPCHSA-N 331.456 3.536 0 50 EHAA CC(C)Oc1cccc(F)c1-c1ccccc1CN1CCNCC1 67771712 RDLXNOHHWUXDMH-UHFFFAOYSA-N 328.431 3.685 0 50 EHAA COC(=O)CSc1ccsc1C(=O)Nc1ccc(Cl)cc1 3047314 WMMSDQLWMBTDCP-UHFFFAOYSA-N 341.841 3.919 0 50 EHAA Cc1nc(C2CC2)oc1C(=O)N1CCC[C@H]1CC(=O)c1ccccc1 253420517 XRVSNNHTKADBGE-INIZCTEOSA-N 338.407 3.738 0 50 EHAA COc1cccc([C@@H]2CCCN2C(=O)NCCCOC2CCCC2)c1 127603138 VWISRPDTVLEECS-IBGZPJMESA-N 346.471 3.891 0 50 EHAA C[C@@H](O)c1ncc(C(=O)Nc2ccc(-c3nccs3)cc2)s1 253406009 VAIVOXCOJDSSBL-SECBINFHSA-N 331.422 3.572 0 50 EHAA C[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccc(O)c(F)c1 72427011 XUGLXRZXFZCIAE-ZDUSSCGKSA-N 345.414 3.726 0 50 EHAA Cc1cn(C2CCCCC2)[nH]c1=NC(=O)c1scnc1C(C)C 332181994 NSUOOXOCBDJGCT-UHFFFAOYSA-N 332.473 3.951 0 50 EHAA Cc1nc2ccccc2nc1CN1CC[C@H](c2ccccc2C(=O)O)C1 72159267 YUKSIWIYYGUQAK-HNNXBMFYSA-N 347.418 3.626 0 50 EHAA C[C@@H]1C[C@H](CO)CN(C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)C1 333549240 OZSYXVWACBYOLI-CAEXGNQWSA-N 349.500 3.529 0 50 EHAA CCSCCC(=O)N1CCCC[C@@H]1c1ccc(CN(C)C)cc1 77458731 PRKHEFIIOPHTEQ-GOSISDBHSA-N 334.529 3.945 0 50 EHAA Cc1cnccc1N1CCCN(Cc2ccc(F)cc2Cl)CC1 77354398 OQRDAJIFTFWOPJ-UHFFFAOYSA-N 333.838 3.895 0 50 EHAA C[C@@H]1CCCN1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 173102380 ULALYNTYVOHXSS-GFCCVEGCSA-N 330.457 3.880 0 50 EHAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 221223326 ZDJHXUAVEFHNML-LBPRGKRZSA-N 346.789 3.609 0 50 EHAA Cn1nc(-c2cc(F)cc(C(F)(F)F)c2)nc1N1CCCCC1 426409594 ZRMPSPYWRHHWPE-UHFFFAOYSA-N 328.313 3.630 0 50 EHAA CN(C)c1nc(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)cs1 222846879 WVLAMFYFGOICSW-UHFFFAOYSA-N 349.887 3.601 0 50 EHAA CCn1ncc(C(=O)N2CCCC[C@H]2CCc2ccccc2)c1C 91563200 AXQOHIHMKJEDJL-SFHVURJKSA-N 325.456 3.839 0 50 EHAA Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc4sccc4c3)C2)n1 91872476 DKMZTEUJVNJQBI-INIZCTEOSA-N 325.437 3.802 0 50 EHAA COc1ccnc(CN2CCC[C@](C)(c3ccccc3)C2)c1OC 91306136 XSBOFKPVHSIQGW-FQEVSTJZSA-N 326.440 3.653 0 50 EHAA COc1ccc(NC(=O)OC(C)(C)C)c(NCc2c[nH]nc2C)c1 294009587 MRJGAYYRITYEBP-UHFFFAOYSA-N 332.404 3.686 0 50 EHAA Cc1nc(CC(=O)N2CCCC[C@@H]2CCc2ccccn2)c(C)s1 244734851 NMXWPWDWSYFFNG-QGZVFWFLSA-N 343.496 3.711 0 50 EHAA CC(=O)N1CCCc2cc(C[C@@H]3CC(=O)N(c4ccccc4)C3)ccc21 252480507 CBFHLRLUFDTFJM-GOSISDBHSA-N 348.446 3.581 0 50 EHAA COc1ccc(NCc2cc(-c3cnn(C)c3C)no2)cc1Cl 185045975 AGHFRUDKTKQSEU-UHFFFAOYSA-N 332.791 3.658 0 50 EHAA CCNC(=O)c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1C 823128763 DKUDFFCWDHXBRI-UHFFFAOYSA-N 348.805 3.718 0 50 EHAA Cc1cncc(C(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)c1 825249762 FTNXPASZXLDDMN-GOSISDBHSA-N 326.396 3.590 0 50 EHAA CCCc1cc(CNC(=O)c2ccc([C@H](C)N3CCCCC3)o2)on1 584885897 VLHFSVKHNOAJKE-AWEZNQCLSA-N 345.443 3.697 0 50 EHAA CC(C)(Cc1ccc(O)cc1)C(=O)N1CCC(c2cccnc2)CC1 1335879078 LPUDHJJMQAIXKZ-UHFFFAOYSA-N 338.451 3.762 0 50 EHAA CC1(C)Cc2cccc(NC(=O)c3oc4ccccc4c3CO)c2O1 1449049654 ILNSRTIYVSXZCU-UHFFFAOYSA-N 337.375 3.891 0 50 EHAA CC1=C(c2ccccc2)[C@H]1C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 952974465 MJCIOKUOKMSCSF-SFHVURJKSA-N 330.391 3.822 0 50 EHAA Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@@]1(C)CCCO1 952869697 LKWYOBUVEYGXGO-GOSISDBHSA-N 330.453 3.549 0 50 EHAA Cc1nc(NC(=O)[C@H]2CSCCS2)c(-c2ccccc2)s1 170595459 SNZZFIACISQZBI-GFCCVEGCSA-N 336.507 3.906 0 50 EHAA Cc1noc(C)c1[C@@H](C)CNC(=O)N(C)CC1(c2ccccc2)CC1 170602219 DEOMKYZOJSHDST-AWEZNQCLSA-N 341.455 3.768 0 50 EHAA Cc1nc(C[C@H]2CCCN(C(=O)Nc3ccsc3Cl)C2)no1 189423244 MKWXTIOPFCKGOV-SNVBAGLBSA-N 340.836 3.580 0 50 EHAA CCc1noc(C2CCC(Nc3ccccc3CCOC)CC2)n1 191576945 KZHHXLMLCTYMEC-UHFFFAOYSA-N 329.444 3.959 0 50 EHAA O=C(O)c1ccccc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 652387048 ZTZBPIWGSCUUMW-OAHLLOKOSA-N 336.391 3.906 0 50 EHAA Cc1cc2nc3s/c(=C\c4ccc(Cl)cc4)c(=O)n3c2cc1C 179547 XKRVNLCBTYDDFQ-SXGWCWSVSA-N 340.835 3.727 0 50 EHAA CN(Cc1ccccc1CN1CCCC1)[C@H]1CCN(c2ccccc2)C1 1506410416 KVUAWTVNIZYCTR-QHCPKHFHSA-N 349.522 3.993 0 50 EHAA CC(C)(C(=O)NCC1(Cc2ccc(F)cc2)CC1)c1cccnc1 390833185 DFSSEWMOCMWEQB-UHFFFAOYSA-N 326.415 3.637 0 50 EHAA C[C@H](c1ccco1)N(C)Cc1ccc(C(=O)O)c(Br)c1 901416743 FTBKASRWRHDXMW-SNVBAGLBSA-N 338.201 3.933 0 50 EHAA CC(C)c1nsc(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)n1 930762169 AWNYLURUFJCKTL-UKRRQHHQSA-N 337.876 3.623 0 50 EHAA C[C@H]1CN(CCOc2ccc(Cl)cc2Br)C[C@H](C)O1 20168376 XVICSHBDGZJXDI-QWRGUYRKSA-N 348.668 3.591 0 50 EHAA O=C(O)c1csc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1 872158058 ZDKSAZHLHNYPCM-KRWDZBQOSA-N 349.427 3.531 0 50 EHAA Cc1nnc(C[C@@H]2CC[C@H](NC/C=C/c3ccc(F)cc3F)C2)o1 952890714 YMVKUHHVQORLAA-LLEDDSNTSA-N 333.382 3.670 0 50 EHAA O=C(NC1(C2CCSCC2)CC1)c1cncc(-c2ccccn2)c1 1875298360 YELASKLMXLVSNE-UHFFFAOYSA-N 339.464 3.549 0 50 EHAA C[C@H]1[C@@H](NC(=O)c2cccnc2)CCCN1Cc1ccccc1Cl 1875302972 PPESTHQSDUKDBG-KSSFIOAISA-N 343.858 3.518 0 50 EHAA C[C@H](CCC1CCCCC1)NC(=O)c1cnc(C2CCN(C)CC2)[nH]1 1875357206 XDHCAMURMGKGNV-OAHLLOKOSA-N 346.519 3.698 0 50 EHAA Cn1cc(-c2ccc(NCc3ccnn3-c3ccccc3)cc2)cn1 1875327977 SBWXMLSHPXTDLT-UHFFFAOYSA-N 329.407 3.885 0 50 EHAA Clc1cccc(OCCc2nnc([C@@H]3CCCOC3)o2)c1Cl 886084625 QVINARFCHMLAAQ-SNVBAGLBSA-N 343.210 3.892 0 50 EHAA CCn1nc(NC(=O)c2cccnc2)c2cc3ccc(C)cc3nc21 9013902 SHMYGPJDHXNVPQ-UHFFFAOYSA-N 331.379 3.560 0 50 EHAA Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)nc1-c1ccccc1 204923 WBTSRBHBHLSUHT-KBPBESRZSA-N 342.420 3.724 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)CC(=O)N1 227571 YMIWLXFKIHXJLL-LLVKDONJSA-N 342.222 3.823 0 50 EHAA CCOc1cc(C(=O)Nc2cccnc2)cc(OCC)c1OCC 273366 PHHCLTOYQKAXLJ-UHFFFAOYSA-N 330.384 3.530 0 50 EHAA biogenic,in-vitro CCC1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(c2ccccc2)C1 328035 QCJZJNHXGQJFIG-GOSISDBHSA-N 328.799 3.797 0 50 EHAA O=C(Cc1ccccc1)NC(=S)Nc1ccc(Br)cc1 456874 BBJJBFNNMKEMTA-UHFFFAOYSA-N 349.253 3.505 0 50 EHAA COc1ccc(CCNC(=O)c2ccc(C)cc2Cl)cc1OC 458114 FXXREKGWIKGTFU-UHFFFAOYSA-N 333.815 3.638 0 50 EHAA Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1C 613822 HDGYAXJUTFOTTJ-QGZVFWFLSA-N 337.419 3.879 0 50 EHAA COC(=O)c1ccccc1NC(=O)c1oc2ccc(F)cc2c1C 615668 GAYCHCFZGCVJFX-UHFFFAOYSA-N 327.311 3.919 0 50 EHAA NC(=O)c1cccc(Nc2ccc(-c3cccc(F)c3F)cn2)c1 2356134000 RQXSYZCGJJERII-UHFFFAOYSA-N 325.318 3.869 0 50 EHAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F 245266529 JVLAVZLLYNRWSM-KHQFGBGNSA-N 335.316 3.866 0 50 EHAA CC1CCN(C(=O)N(C)c2ccc(Br)cc2F)CC1 225645079 JYNUIPCJJIFPAP-UHFFFAOYSA-N 329.213 3.876 0 50 EHAA O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2ncccn2n1 2788341 NBZRPXWJQKGJOK-UHFFFAOYSA-N 340.692 3.654 0 50 EHAA COC1(C(F)(F)F)CCN(C(=O)c2cccn2C2CCCC2)CC1 416268114 FUHRBWYKCAFEIZ-UHFFFAOYSA-N 344.377 3.787 0 50 EHAA O=C(CCCc1nc2ccccc2s1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 247766813 LJGBCGULOVQMOJ-WZFJYNIESA-N 326.465 3.876 0 50 EHAA O=C(NCc1nnc(-c2ccccc2)o1)c1scc2c1CCCC2 65504381 FEOJFTYTNSNJLA-UHFFFAOYSA-N 339.420 3.607 0 50 EHAA O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCC[C@H]1c1cccnc1 25079532 AKJGFYMTYDJZQH-SFHVURJKSA-N 336.370 3.588 0 50 EHAA Brc1ccc([C@@H](Cc2ccccn2)N[C@H]2CCOC2)cc1 346162947 CNTBJFBSUGDZPU-DLBZAZTESA-N 347.256 3.506 0 50 EHAA C[C@H](c1ccccn1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1 67820487 WJXJIVDGRPHKAM-MRXNPFEDSA-N 343.434 3.984 0 50 EHAA CN(C)Cc1cnc(CN(C2CC2)[C@H]2CCc3ccccc32)s1 347644357 UVBHGOJMIXHEMO-SFHVURJKSA-N 327.497 3.857 0 50 EHAA Cc1c(NC(=O)N2CCN(C)c3ccccc3C2)cccc1N(C)C 253417785 GMMCWNVIKLUXPY-UHFFFAOYSA-N 338.455 3.545 0 50 EHAA CC(C)n1cc(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 65387519 GDXHDQLGWJNQJZ-FCHUYYIVSA-N 349.478 3.968 0 50 EHAA O=C1C[C@@H](c2cccc3[nH]ccc23)c2cnn(-c3ccccc3)c2N1 67974165 AMYNXFOCWUWWCA-INIZCTEOSA-N 328.375 3.828 0 50 EHAA 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COc1cc(C)c(NC(=O)N[C@H]2CCCC23CCOCC3)cc1F 374375768 ACTUNLRNJLAXEC-INIZCTEOSA-N 336.407 3.614 0 50 EHAA CC1(C)C[C@H](CNC(=O)Cc2csc(-c3ccccc3)n2)CCO1 457163701 SGDDBKWHQLJSBM-CQSZACIVSA-N 344.480 3.674 0 50 EHAA Cc1[nH]nc(CCC(=O)N[C@@H](CC(C)(C)C)c2cccnc2)c1C 670444015 GNMSKSRQAZDLNQ-KRWDZBQOSA-N 328.460 3.648 0 50 EHAA O=C1Nc2cc(Br)ccc2/C1=C/c1ccc2c(c1)CCO2 774561805 ZWPHCUTVSZMLHZ-ZSOIEALJSA-N 342.192 3.877 0 50 EHAA CCc1nccn1CCC(=O)N(Cc1ccccn1)C1CCCCC1 823557600 WSEVBFRFPIKYQU-UHFFFAOYSA-N 340.471 3.592 0 50 EHAA Fc1cc(Cl)ccc1N1CC[C@@H](N[C@@H]2CCC23CCOCC3)C1 858547164 DSOXLDXTQPLTLV-RHSMWYFYSA-N 338.854 3.607 0 50 EHAA COc1ccc(Cl)cc1[C@H](C)NC[C@@H]1CCO[C@H]1c1ncc[nH]1 888078160 SHSSIVPCLWRSBR-MQIPJXDCSA-N 335.835 3.500 0 50 EHAA CC[C@@H](c1nc(-c2cccc(C(C)(F)F)c2)no1)N1CCCC1=O 896458504 NKMIIHJBWOWKNE-ZDUSSCGKSA-N 335.354 3.922 0 50 EHAA c1cc(NCc2ccc3c[nH]nc3c2)cc(-c2n[nH]c3c2COCC3)c1 1875339028 TVNLONUDVRDVOZ-UHFFFAOYSA-N 345.406 3.638 0 50 EHAA Cc1nc(O)c2c(n1)C1(CC2)CCN(C2CC3(CCCCC3)C2)CC1 2100534547 NEUMPAYFIPVVOU-UHFFFAOYSA-N 341.499 3.883 0 50 EHAA CC(F)(F)c1cccc(CN2CCc3ccccc3[C@H]2CC(=O)O)n1 2325777212 MOHAMPNIBIWANI-MRXNPFEDSA-N 346.377 3.767 0 50 EHAA CC(C)[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)C(=O)O 237106 JIEWHKZCGHMHAG-CQSZACIVSA-N 327.409 3.879 0 50 EHAA COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(OC)c1 423594 SQOKYHZVJDGTPI-UHFFFAOYSA-N 342.326 3.750 0 50 EHAA Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)C[C@H](c1ccco1)C2 2499398 MKRHOBOFCWCKMQ-GFCCVEGCSA-N 327.380 3.928 0 50 EHAA COc1ccc(-c2ccc(CNCC3CCNCC3)o2)cc1Cl 10434581 DCVZYKHKVDYXMV-UHFFFAOYSA-N 334.847 3.698 0 50 EHAA Cc1nnc([C@@H](C)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)o1 111260542 OIITWLUMCTURFN-LLVKDONJSA-N 328.391 3.939 0 50 EHAA COc1cccc(C(N[C@@H]2CCCNCC2)c2cccc(OC)c2)c1 415084756 PPFCWUVVJFVTFZ-GOSISDBHSA-N 340.467 3.525 0 50 EHAA Cn1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cn1 245853996 NJERQXPPWLKLOC-ULQDDVLXSA-N 329.831 3.541 0 50 EHAA CCOc1ccc([C@@H](C)Nc2ncnc3oc(C)nc23)cc1OCC 55073953 VVWNSNPDPWLSDL-LLVKDONJSA-N 342.399 3.897 0 50 EHAA COc1ccc([C@@H](NCc2cccnc2N(C)C)C2CC2)c(F)c1 421822154 VZWFUKFWUPOIHE-SFHVURJKSA-N 329.419 3.536 0 50 EHAA CCCCc1nc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)c[nH]1 23619556 IBQYWMHVVKLVOE-QGZVFWFLSA-N 330.451 3.968 0 50 EHAA CCCn1nc(C)cc1NC(=O)c1cccc(CN2CCC[C@H]2C)c1 65370102 JRCZOOHMGMZUJW-MRXNPFEDSA-N 340.471 3.838 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)C2)c1 229444239 ITUDZXHYQRSWRE-RBSFLKMASA-N 343.393 3.724 0 50 EHAA Cc1nc(N2CCOCC2)ccc1NCc1ccc([C@H]2C[C@H]2C)o1 119985728 LREMBTKKDJVNSB-CJNGLKHVSA-N 327.428 3.555 0 50 EHAA Cn1c(-c2cccc(NC(=O)C3CCC(O)CC3)c2)nc2ccccc21 252478551 APFFWDBNALOBLV-UHFFFAOYSA-N 349.434 3.730 0 50 EHAA O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC[C@@H](c2nccs2)C1 229755865 KMJPBQHTLCLBCX-OSAQELSMSA-N 348.418 3.931 0 50 EHAA CC(=O)c1cccc(OC[C@H](O)CN2CCC[C@H]2c2ccsc2)c1 252452614 REZYYXDTEFBQPW-MJGOQNOKSA-N 345.464 3.528 0 50 EHAA Cc1ccc(OC2CN(C(=O)c3scc4c3CCCC4)C2)cc1 215980098 OUCKFVGFXDFZBN-UHFFFAOYSA-N 327.449 3.839 0 50 EHAA CCCn1cc(CNc2cc(-c3ccccc3)nc3ccnn23)cn1 72163640 RLCHURLYBKOTIT-UHFFFAOYSA-N 332.411 3.615 0 50 EHAA Cc1ccccc1-c1ncc(-c2nccn2CCn2ccnc2C)cn1 71639163 FCSXIRZXOXLNRV-UHFFFAOYSA-N 344.422 3.521 0 50 EHAA NC(=O)c1c(F)cccc1-c1cc(NC2CCCC2)nc2[nH]ccc12 72143053 JSMKOADDVMQEIU-UHFFFAOYSA-N 338.386 3.822 0 50 EHAA CCc1cnc(C)nc1N1CCC(c2nccn2CC2CCC2)CC1 91965723 HQFAXIOXKYALLO-UHFFFAOYSA-N 339.487 3.728 0 50 EHAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc(O)c1 230514804 VCMCKZAXLAWBQP-UHFFFAOYSA-N 335.425 3.633 0 50 EHAA CN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2ccncc2F)c1 299781045 QUMKJNIWAVECTG-MRXNPFEDSA-N 328.387 3.529 0 50 EHAA CC(C)c1nc(O)ccc1C(=O)N1CCCC[C@@H]1c1ccccn1 1940196118 LNMYJOMZNJSENB-MRXNPFEDSA-N 325.412 3.673 0 50 EHAA CCC(CC)n1ncc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1C 408519898 NAKGOXIBMYVPKK-QRQLOZEOSA-N 347.503 3.708 0 50 EHAA COCc1ccc(CN(Cc2ccccc2)[C@H](CO)C(C)C)cc1 170591416 CRGXHQNEZIDALZ-OAQYLSRUSA-N 327.468 3.852 0 50 EHAA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cnc3ccccc3c2)[nH]n1 170617506 JXDQWAMWAVUQKB-GFCCVEGCSA-N 344.440 3.662 0 50 EHAA CC(C)c1c(NC(=O)c2cnccn2)cnn1-c1ccc(Cl)cc1 192161174 DFYQWYUHBGRRJW-UHFFFAOYSA-N 341.802 3.691 0 50 EHAA c1ccc(N2CC[C@@H](N3CCCN(C4CCCCC4)CC3)C2)cc1 1506427490 MBIVCMOAVUJFNN-OAQYLSRUSA-N 327.516 3.606 0 50 EHAA Cc1cc(C)c(CC(=O)N2CCC(c3ccnc(O)c3)CC2)c(C)c1 1772804639 BYLWTUZOTZYNQQ-UHFFFAOYSA-N 338.451 3.661 0 50 EHAA O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H](C2(O)CC2)C1 1772806026 XFTYLKWABGUENK-FQEVSTJZSA-N 349.474 3.972 0 50 EHAA CC[C@]12C[C@H]1CN(C(=O)C1(c3ccc(OC)c(OC)c3)CCCC1)C2 1772808649 XALBUKMPVHEEFQ-OXJNMPFZSA-N 343.467 3.774 0 50 EHAA CN(Cc1nc(Cc2ccccc2Cl)no1)C(C1CC1)C1CC1 12718545 SKTXPANGEKEILK-UHFFFAOYSA-N 331.847 3.934 0 50 EHAA CCCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCCCC1 16649002 HOROYBLXAVWOQU-UHFFFAOYSA-N 325.474 3.703 0 50 EHAA CC(C)[C@H]1CN(Cc2ccc(N(C)C)nc2)C[C@@H](c2ccccc2)O1 1875247346 SYKQZSZBEOPNDR-UXHICEINSA-N 339.483 3.746 0 50 EHAA CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(O)c1 97675 AJOIENLQYXKDNM-UHFFFAOYSA-N 338.363 3.869 0 50 EHAA Cc1ccc(C(=O)O)cc1NC(=O)c1sc(CC(C)C)nc1C 120231776 ZZCRVIAQSPEYGQ-UHFFFAOYSA-N 332.425 3.909 0 50 EHAA C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1N(C)C(=O)NC(C)(C)C 239654181 BMVCHLAZJVLDIF-VQFNDLOPSA-N 331.504 3.583 0 50 EHAA CC(=O)Nc1cc(NCc2ccc([S@](C)=O)cc2)ccc1Cl 135528818 UJJLPIHEJSAETF-JOCHJYFZSA-N 336.844 3.648 0 50 EHAA Cc1nnc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)s1 253418424 LMVJKAJVIHCLDB-LBPRGKRZSA-N 334.514 3.561 0 50 EHAA COc1cccc([C@@H](OC)c2noc([C@@H]3[C@H]4[C@@H]5CC[C@@H](C5)[C@H]43)n2)c1 904109710 PCTVXRRXBFXGMI-OGHPXQNPSA-N 326.396 3.574 0 50 EHAA CN(C(=O)CCc1ncc(F)cn1)[C@H]1CCCC[C@@H]1c1ccccc1 1875284495 XFCZIUSMVITKQR-MSOLQXFVSA-N 341.430 3.733 0 50 EHAA O=C(NC1C[C@@H]2CC[C@H](C1)O2)c1cc(-c2ccco2)nc2ccccc12 1875298564 FTKVNXJAXFIGFM-GOOCMWNKSA-N 348.402 3.935 0 50 EHAA C[C@@H]1CCC[C@@](O)(CNc2cc(-c3ccccc3)nc3ccnn23)C1 1875301896 VGHHTTCKZSZZEX-QRWLVFNGSA-N 336.439 3.749 0 50 EHAA CC(C)(C)n1ncc2c(Nc3cnn(C4CCCC4)c3)ncnc21 895886646 FXMBWFDTLIOZNJ-UHFFFAOYSA-N 325.420 3.637 0 50 EHAA Cc1c(C(=O)N2CC[C@H](c3ccon3)C2)sc2cccc(F)c12 1775993556 FTZUHTKGOOGSFY-NSHDSACASA-N 330.384 3.967 0 50 EHAA O=S(=O)(c1cc(Cl)ccc1Cl)n1cnc2ccccc21 51410 PXUHMEZESKEPKJ-UHFFFAOYSA-N 327.192 3.580 0 50 EHAA O=C1N(c2ccccc2)C([C@@H](O)c2ccccc2)=NC12CCCCC2 4771679 PIRLESYBLAJHBP-SFHVURJKSA-N 334.419 3.868 0 50 EHAA CN(CCc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)nn1C 2325822758 NCYQWCGFBNQJCC-UHFFFAOYSA-N 337.398 3.541 0 50 EHAA O=C(Cc1ccc(F)cc1F)NCc1ccccc1-c1cccnc1 2325823130 FVLPTKXJYBDXJB-UHFFFAOYSA-N 338.357 3.886 0 50 EHAA C[C@H](CCc1cccnc1)Nc1ncnc2c1ncn2-c1ccccc1 2325854972 BPCZAHBVDZLGJX-OAHLLOKOSA-N 344.422 3.644 0 50 EHAA O=C(COc1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 143136 NVZBZNIDWSPOQO-UHFFFAOYSA-N 346.386 3.956 0 50 EHAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 313016 DMRVIWYUOXSIDW-CQSZACIVSA-N 340.423 3.621 0 50 EHAA CC[C@H](C(=O)NCCc1ccc(OC)c(OC)c1)c1ccccc1 433789 NEFROOCEKFXOJH-KRWDZBQOSA-N 327.424 3.556 0 50 EHAA CCOC(=O)c1cccc(NC(=O)CCCOc2ccccc2)c1 1779444 GLWCPZZDCNVTOE-UHFFFAOYSA-N 327.380 3.661 0 50 EHAA COc1ccc(CN2CCC[C@]3(CCc4cnc(C)nc43)C2)c(C)c1 2356154337 RFVOJWWHKCIQQR-NRFANRHFSA-N 337.467 3.582 0 50 EHAA C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 2464733 NURPASYGVRKHGU-VIFPVBQESA-N 346.271 3.550 0 50 EHAA O=c1c2ccccc2[nH]c(=S)n1CCCSCc1ccco1 2869067 ZHQIREMVOOBXOB-UHFFFAOYSA-N 332.450 3.976 0 50 EHAA COc1cc(NC(=O)c2ccc(F)cc2F)c(OC)cc1Cl 6309966 QBOBSUWSZSPORF-UHFFFAOYSA-N 327.714 3.888 0 50 EHAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)Cc1cccnc1 55182846 XGWLNKHGZALRRY-UHFFFAOYSA-N 338.436 3.754 0 50 EHAA C[C@H](NCCC1CCN(C)CC1)c1ccc2c(c1)COC(C)(C)O2 225408019 PDWWYRSJTSHLNJ-HNNXBMFYSA-N 332.488 3.714 0 50 EHAA O=C(Nc1ccc(Cn2cncn2)cc1)Nc1ccccc1Cl 9873979 NFFBKJSKMHVKPH-UHFFFAOYSA-N 327.775 3.624 0 50 EHAA CSCCCN1CCC(CO)(Cc2ccccc2Cl)CC1 20231861 RJUVPEXGJMIYAN-UHFFFAOYSA-N 327.921 3.710 0 50 EHAA CSc1ccc(-c2nc(Cn3cnc(C4CC4)n3)c(C)o2)cc1 67433696 MFXNHUVLDZJULU-UHFFFAOYSA-N 326.425 3.889 0 50 EHAA O=C(O)c1cccnc1CN1CCCC[C@H]1CCc1cccs1 65531322 IPPYALSXVRDKOT-AWEZNQCLSA-N 330.453 3.829 0 50 EHAA COC(=O)c1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 2763374 WVTSKWHYPAKROW-UHFFFAOYSA-N 345.398 3.993 0 50 EHAA Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)Nc1c(C)n[nH]c1C 121127056 PQFLZCMOUXSUCC-ZDUSSCGKSA-N 349.504 3.546 0 50 EHAA C[C@H](c1cccc(-c2nccn2Cc2cccc(C(=O)O)c2)c1)N(C)C 72454390 FWWFITMSIFAOMA-OAHLLOKOSA-N 349.434 3.919 0 50 EHAA O=C1CC[C@]2(CCCN(CC3CCC3)C2)CN1CCc1ccccc1 77505249 CMHZLANBFRUHDX-QFIPXVFZSA-N 340.511 3.734 0 50 EHAA Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2Cn2ccnc2C)cc1F 151576581 QSPNMIDDPASDNN-WMLDXEAASA-N 344.434 3.574 0 50 EHAA CC(C)Oc1cc(C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)ccn1 437458336 INFMQHCVPKZVMH-SHTZXODSSA-N 328.387 3.684 0 50 EHAA COc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 36620748 ZEMCSSCKANOKLC-MRXNPFEDSA-N 340.379 3.793 0 50 EHAA Fc1ccccc1-c1noc(-c2ccc(NC[C@H]3CCCO3)nc2)n1 39388402 NQSGYIIBIWDNCZ-CYBMUJFWSA-N 340.358 3.529 0 50 EHAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@@H]2C(F)(F)F)cc1 72418182 NJVVECDHXYSRRC-CQSZACIVSA-N 329.362 3.557 0 50 EHAA COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 13746716 ODZOBHWGQIEWJD-CQSZACIVSA-N 326.396 3.973 0 50 EHAA O=c1ccccn1C[C@H](Nc1ncnc2sccc12)c1ccccc1 336883512 CUNUSIKADDHSHP-INIZCTEOSA-N 348.431 3.706 0 50 EHAA CC(C)c1ccc(C(=O)N2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)c(O)c1 240540930 GQITWLMVAXWLTC-NUJGCVRESA-N 344.499 3.993 0 50 EHAA O=C(N[C@@H]1CCCC(F)(F)C1)N1CCC[C@H]1COc1ccccc1 458550186 DFHLDBXFUQREGM-CABCVRRESA-N 338.398 3.817 0 50 EHAA CCCCCCCCCCCCC[C@H](O)CC(=O)NCC(=O)O 137430827 MZUHHHSFDVDBCZ-INIZCTEOSA-N 329.481 3.639 0 50 EHAA biogenic,in-vitro O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cc(Cl)c[nH]1 426647310 OYYREDQDFJWEBU-QGZVFWFLSA-N 331.847 3.625 0 50 EHAA CSCc1ccc(N2CCCN(c3ccc(F)cc3)CC2)nc1 82127428 HWPHYINZPLSONV-UHFFFAOYSA-N 331.460 3.800 0 50 EHAA CC(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1 179897325 CYLBDNQNPRQMGI-UHFFFAOYSA-N 338.285 3.796 0 50 EHAA Cc1ccc(C(=O)NCCCCCC(=O)Nc2ccccc2N)cc1 96170452 VOPDXHFYDJAYNS-UHFFFAOYSA-N 339.439 3.506 0 50 EHAA in-vitro Cc1oc2ccccc2c1C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 184675109 PUMMEJGSIDGTAG-GOSISDBHSA-N 337.375 3.661 0 50 EHAA O=C(Nc1ccc(F)cc1)c1ncn2c1CO[C@@H](c1ccccc1)C2 263615245 BJEYZUNADKERLX-QGZVFWFLSA-N 337.354 3.546 0 50 EHAA CC(C)SCC(=O)Nc1ccccc1C(=O)N1CCCC[C@H]1C 952984025 MVJZHPBIYBVGQE-CQSZACIVSA-N 334.485 3.781 0 50 EHAA Cc1cc(F)ccc1N1CCC(N2CCCN(C(C)C)CC2)CC1 952963270 JMQMVKLHEOPMRO-UHFFFAOYSA-N 333.495 3.519 0 50 EHAA CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1O 170623994 LVSAMOMJNVHPLN-UHFFFAOYSA-N 349.452 3.889 0 50 EHAA CCCN(C[C@H]1CCCCO1)C(=O)c1ccc2nc(S)oc2c1 170642137 ZAEDREWFHFHELX-CYBMUJFWSA-N 334.441 3.538 0 50 EHAA C[C@H](NC(=O)c1ccc(Cl)nc1)c1nc2ccc(Cl)cc2[nH]1 732544545 RSGOZAZBFMOBPZ-QMMMGPOBSA-N 335.194 3.756 0 50 EHAA COc1ncccc1CN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 193457637 DVGJIVASDCSVHX-OAHLLOKOSA-N 336.439 3.655 0 50 EHAA CC(C)Nc1cccc(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 195555385 JAWKXUQFTYPRHZ-GOSISDBHSA-N 341.459 3.667 0 50 EHAA CCCCn1ncc(C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1F 1529174214 QQTZYZHXIKNQCV-LBPRGKRZSA-N 337.370 3.676 0 50 EHAA COc1ccc(CC[C@@H](C)N2CCC(c3ccnc(O)c3)CC2)cc1 1772805745 RMKFTEXRWYOANK-MRXNPFEDSA-N 340.467 3.997 0 50 EHAA COc1ccc([C@@H](CC(=O)N2CCCCO2)c2ccccc2)cc1 11844077 JGOGGBHERHIXDC-IBGZPJMESA-N 325.408 3.771 0 50 EHAA Cc1cnc(C(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)cn1 12073261 XGPRQMMCMAQLRM-OAHLLOKOSA-N 345.393 3.548 0 50 EHAA CCCN1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 16604017 HITGBEPHXSCZGZ-UHFFFAOYSA-N 336.479 3.887 0 50 EHAA CC(C)(C)OC(=O)N1CCNc2cccc(Br)c2C1 1857779975 OPBUJMPIQAPADX-UHFFFAOYSA-N 327.222 3.612 0 50 EHAA CC(C)c1cc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c(O)c(C(C)C)c1 1291884320 WWODLPDLOZMAOS-HNNXBMFYSA-N 344.499 3.853 0 50 EHAA CC1CCC(N(C(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)C2CC2)CC1 1875290626 UEIKZCKYVRRYAD-YIFLHPOLSA-N 331.460 3.615 0 50 EHAA Cc1cc([C@@H](NC(=O)c2ccc(CC(=O)O)cc2)C2CC2)ccc1F 1875268929 CFTQCXLCOVAUES-IBGZPJMESA-N 341.382 3.642 0 50 EHAA Cc1ccc(-c2ccccc2)cc1C(=O)NC[C@@H]1CC12CCNCC2 1875287294 CMXFDXAXZWPPJJ-IBGZPJMESA-N 334.463 3.782 0 50 EHAA CC(C)c1nn(CC[C@@H]2CCOC2)c2cncc(Br)c12 1775989752 AKVJNCSEXCUCEP-LLVKDONJSA-N 338.249 3.744 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)c2cccc(-n3ccc(C)n3)c2)cc1 1322170914 CFVCBBQNYSKNDO-UHFFFAOYSA-N 348.406 3.782 0 50 EHAA Cc1cnc(CCC(=O)N2C[C@@H](c3ccccc3)c3ccccc32)[nH]1 2325858230 DWAOMHAFUDGBIS-SFHVURJKSA-N 331.419 3.829 0 50 EHAA CCc1cc2c(=O)n(-c3ccc(Br)cc3)cnc2s1 227551 OMCWOAKHIAGEQH-UHFFFAOYSA-N 335.226 3.772 0 50 EHAA COc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1F 309707 JMTHSNVHKWGRTE-UHFFFAOYSA-N 342.139 3.988 0 50 EHAA CCC(=O)NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 456559 LZIIBWNWBZWQSQ-UHFFFAOYSA-N 343.383 3.857 0 50 EHAA O=C(CSCc1ccc(Br)cc1)NC1CCCC1 614756 UOBLIYFHFXYTRG-UHFFFAOYSA-N 328.275 3.741 0 50 EHAA O=C(CSCc1cccc(Cl)c1)NCc1ccc2c(c1)OCO2 621476 JRCNXXYWEDVQBD-UHFFFAOYSA-N 349.839 3.618 0 50 EHAA O=C(O)COc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O 1978318 QTLOJBFQUFWAGM-UHFFFAOYSA-N 330.723 3.577 0 50 EHAA CCCCCCc1cc2c3c(c(=O)oc2cc1OCC(=O)O)CCC3 2062433 XZGWETNMPTWLIL-UHFFFAOYSA-N 344.407 3.868 0 50 EHAA N=C1Nc2nc3ccccc3n2[C@H](c2cccc(C(F)(F)F)c2)N1 2392062 GQBUHFWTIOVQOM-CYBMUJFWSA-N 331.301 3.552 0 50 EHAA CCCN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2cc(Cl)ccc21 2441119 BLLGXRDTCVJXCG-LJQANCHMSA-N 340.810 3.814 0 50 EHAA CC(=O)Nc1nnc(SCc2ccccc2Br)s1 2835122 VAWBDUAPIKLPOG-UHFFFAOYSA-N 344.259 3.551 0 50 EHAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(O)cc1C(=O)O 2991982 OLNFVVYKRSFQEV-GFCCVEGCSA-N 343.379 3.621 0 50 EHAA CSc1ccc([C@H]2[C@H](C(=O)O)CC(=O)N2Cc2ccccc2)cc1 4237886 UJHRKLBHWDTEQV-AEFFLSMTSA-N 341.432 3.583 0 50 EHAA in-vitro CCCc1c(C)c2cc(Cl)c(OCC(=O)OCC)cc2oc1=O 4387720 OVOIJDBBDPVYPD-UHFFFAOYSA-N 338.787 3.649 0 50 EHAA COc1ccccc1NC(C)(C)c1nnnn1-c1c(C)cccc1C 4714368 YLCBVYSEFCLQRW-UHFFFAOYSA-N 337.427 3.635 0 50 EHAA COc1ccccc1[C@H]1CN(Cc2cnn(C)c2)Cc2ccccc2O1 12126865 SNJSAQBTDULAFM-OAQYLSRUSA-N 349.434 3.565 0 50 EHAA Fc1ccc(-c2cc(CN3CCN(c4ccccc4)CC3)on2)cc1 12848296 KNPCBXNYRDEAMI-UHFFFAOYSA-N 337.398 3.803 0 50 EHAA OC1CCN(C(=S)Nc2ccc(Nc3ccccc3)cc2)CC1 13497637 LKFYGMKCUDNBOX-UHFFFAOYSA-N 327.453 3.584 0 50 EHAA COc1cccc(CN2CCC[C@]3(CCN(CCC(C)C)C3)C2=O)c1 15070641 OLQILJZZRDTSFN-OAQYLSRUSA-N 344.499 3.556 0 50 EHAA O=C(N1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 16361089 AXOHVCMPDQSTAL-UHFFFAOYSA-N 349.478 3.609 0 50 EHAA CCN(CC)[C@@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl 19228743 YNUPHVLSUSEHFC-CYBMUJFWSA-N 337.678 3.763 0 50 EHAA O=C(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1N1CCCC1 20208382 ZXIBHJMRSDEPJK-UHFFFAOYSA-N 337.398 3.837 0 50 EHAA CCCc1cnc(-c2cccc(-c3ccn(C[C@@H](O)CC)n3)c2)nc1 20774417 LSQVODBBWBIHAW-SFHVURJKSA-N 336.439 3.731 0 50 EHAA O[C@@H](Cn1ccc(-c2cccc(-c3ccccn3)c2)n1)C(F)(F)F 23380184 OHAGURWOVPKQIM-INIZCTEOSA-N 333.313 3.535 0 50 EHAA COc1ccc(OC)c(CN2CCN(c3ccccc3Cl)CC2)c1 55543281 OIMRENCWUYMGSG-UHFFFAOYSA-N 346.858 3.679 0 50 EHAA O=C(CCCc1ccccc1)N1CCCC[C@H]1CCn1ccnc1 60225042 XSVSEAWGRZRNFT-IBGZPJMESA-N 325.456 3.677 0 50 EHAA COc1ccc(-c2cc(C)ccc2N2CCOC2=O)c(OC)c1OC 67714744 QRZXPDVQRRHFHU-UHFFFAOYSA-N 343.379 3.644 0 50 EHAA Cc1c(CN2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)[nH]c2ccccc12 67834460 PZXUYAPFUGTBIQ-GHTZIAJQSA-N 338.426 3.966 0 50 EHAA C[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccc(O)cc1 72418189 VTRZABJSOYFTPJ-AWEZNQCLSA-N 327.424 3.587 0 50 EHAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2cc(-c3cccn3C)n[nH]2)C1 77457941 CAGCSFKSYKGERA-MRXNPFEDSA-N 348.450 3.743 0 50 EHAA O=C(c1ccc2c(c1)OCO2)N1CCCC[C@@H]1c1ccc(F)cc1 77504101 BJVKGYCLJNISEQ-MRXNPFEDSA-N 327.355 3.922 0 50 EHAA CC(=O)Nc1ccc(-c2cn([C@H](c3cccnc3)C(C)C)nn2)cc1 82106561 OECPQKYFABXXEE-IBGZPJMESA-N 335.411 3.544 0 50 EHAA COCC1(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)CCC1 82115294 SUFWPODBURLXMM-UHFFFAOYSA-N 337.847 3.527 0 50 EHAA CSc1ccc(NC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)cc1 91780812 DTGKILKGJGFPPQ-NVXWUHKLSA-N 345.512 3.747 0 50 EHAA CC[C@@H](C(=O)NCC1(c2ccc(F)cc2)CCCC1)n1cccn1 91876694 ZVFRCWDHARWYJC-KRWDZBQOSA-N 329.419 3.602 0 50 EHAA CN1C[C@H](c2ccccc2)CC2(CCN(Cc3cccnc3)CC2)C1 96162550 QDFZILIUTXFHMB-OAQYLSRUSA-N 335.495 3.783 0 50 EHAA FC(F)(F)Oc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 97675497 CGDHQVVYJWWOFT-UHFFFAOYSA-N 325.334 3.688 0 50 EHAA Cc1cnn(-c2ccncc2NC(=O)[C@H]2C[C@@H]2c2ccccc2C)c1 123716053 ZKXVSSNIBRWKRZ-SJORKVTESA-N 332.407 3.626 0 50 EHAA CC(C)Oc1ccccc1NC(=O)c1ccnc(OCC(F)F)c1 153378902 IXAQTWLRFJEJKA-UHFFFAOYSA-N 336.338 3.765 0 50 EHAA CCCO[C@@H]1O[C@@H]1C[Si](C)(C)[Si](C)(C)C[C@H]1O[C@H]1OCCC 169814849 GOSAYCBCKAOBLJ-KLHDSHLOSA-N 346.616 3.785 0 50 EHAA Cc1cccc([S@@](C)=O)c1NC(=O)NCCSc1ccccc1 170609598 KICGHIYIXHYCII-HSZRJFAPSA-N 348.493 3.646 0 50 EHAA CCO[C@H]1C[C@H](N(C)c2ncnc3sc4c(c23)CCC4)C1(C)C 170637148 SXTHSWDMFKTHDH-KBPBESRZSA-N 331.485 3.820 0 50 EHAA C[C@@H]1COc2ccccc2N1C(=O)CCc1cnn(-c2ccccc2)c1 175371020 LVPPDVSNETWYBW-MRXNPFEDSA-N 347.418 3.619 0 50 EHAA COc1ccc2cc(NC(=O)c3cccnc3C(F)(F)F)ccc2n1 188750056 SRRWNWQBINYKFE-UHFFFAOYSA-N 347.296 3.910 0 50 EHAA O=C(CCc1c[nH]cn1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 189545218 ZJKADFFRTDOZMZ-NRFANRHFSA-N 345.446 3.711 0 50 EHAA O=C(C[C@@H]1CCCO1)Nc1c(-c2cccs2)nc2ccccn12 195431528 CVLXTHFVEYGESQ-LBPRGKRZSA-N 327.409 3.570 0 50 EHAA CN(CCCc1nccn1C)Cc1ccc([C@@H]2CCCCO2)s1 215439957 KMKGESLSCHCURV-INIZCTEOSA-N 333.501 3.788 0 50 EHAA CC[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1O)Oc1ccccc1Cl 242287993 YKCLSYXOMLPJNG-FMKPAKJESA-N 339.863 3.555 0 50 EHAA Cc1csc(N(CC(F)(F)F)C(=O)CCc2ccccc2)n1 253418607 RBTJJYJTDMGVPA-UHFFFAOYSA-N 328.359 3.980 0 50 EHAA Cc1cccc(Cl)c1NC(=O)N1CCN(c2ncccc2F)CC1 274324573 HJBGGLCXEDKHLD-UHFFFAOYSA-N 348.809 3.537 0 50 EHAA COc1ccc(C2(NC(=O)c3ocnc3C3CC3)CCCC2)cc1 291578132 ULICKODBZPJJTG-UHFFFAOYSA-N 326.396 3.760 0 50 EHAA CN(Cc1c(F)cccc1F)C(=O)[C@@H]1C[C@]12CCOc1ccccc12 294302547 ZCXLOVUVELBSHI-YWZLYKJASA-N 343.373 3.664 0 50 EHAA COc1ccccc1N1CC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 299617482 WARSTWUDHUGNIN-MRXNPFEDSA-N 339.439 3.652 0 50 EHAA C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Nc1c[nH]nc1-c1nccs1 333746434 SCUILVKQHWRDDH-WZRBSPASSA-N 331.445 3.718 0 50 EHAA CC1(C)CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@@H]1c1ccccc1 426578515 ATBZNWVGFMEICS-GFCCVEGCSA-N 337.345 3.694 0 50 EHAA COCc1nc(-c2cc(OC)c(OC)cc2Br)cs1 442661643 GFDKWGJMYYCWGE-UHFFFAOYSA-N 344.230 3.736 0 50 EHAA CCC(CC)(CN[C@@H](C)c1nnnn1C1CC1)c1ccc(F)cc1 663312700 FYMMYUFWNQTTAJ-ZDUSSCGKSA-N 331.439 3.556 0 50 EHAA CC[C@H](NC(=O)CC(=O)Nc1cccc(C)c1)c1nc(C)c(C)s1 670440485 WJRVBBHNHRLLDD-HNNXBMFYSA-N 345.468 3.664 0 50 EHAA COC1(OC)CC2(CN(C(=O)Nc3cc(C)ccc3C)[C@H]2C(C)C)C1 877871949 YOBMXSCWJXHVMD-KRWDZBQOSA-N 346.471 3.945 0 50 EHAA CCc1ccc([C@H]2CCCCCN2C(=O)Nc2cc(OC)nn2C)o1 881249670 QAPRIVFCBWHUJR-CQSZACIVSA-N 346.431 3.733 0 50 EHAA Cc1nnc([C@H]2CCCN(CCOc3ccccc3Cl)[C@H]2C)o1 886078419 YQKOVPQWLXBDFI-JSGCOSHPSA-N 335.835 3.678 0 50 EHAA CC(C)c1ccc(CN2CCC[C@@H](S(=O)(=O)O)C2)c(C(C)C)c1 888095909 DYHHGONHFGHEAR-QGZVFWFLSA-N 339.501 3.786 0 50 EHAA Cc1c(C(=O)Nc2ccccc2[C@H]2CCC(=O)N2)ccn1C(C)C 913237916 YQWDREKCMKAHBF-QGZVFWFLSA-N 325.412 3.581 0 50 EHAA C[C@@H]1CCCN1c1nnc(-c2ccccc2F)n1C[C@@]1(C)CCCO1 1693690694 GRYYSQAVZXMUOT-AUUYWEPGSA-N 344.434 3.642 0 50 EHAA CN1CCC(Cn2ccnc2-c2cnsc2)(c2ccccc2)CC1 1857696825 OAWJBNQABRCUGY-UHFFFAOYSA-N 338.480 3.670 0 50 EHAA O=C(Nc1nc2c(F)cccc2s1)N1CC[C@@H]2[C@H](C1)C2(F)F 1875277446 MAIGICUIMATIEZ-SFYZADRCSA-N 327.331 3.554 0 50 EHAA Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3C[C@H]4C[C@H]3CC4(F)F)c12 1875297429 PPGWJUPFCWNGQF-DMDPSCGWSA-N 347.365 3.572 0 50 EHAA COc1cccc2c(C)c(C(=O)OCCCc3ccncc3)oc12 2325703571 YXLIIRMFZHNVKK-UHFFFAOYSA-N 325.364 3.934 0 50 EHAA C[C@]1(CC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CCCO1 2325776233 DHBCSIQATOGXRU-HXUWFJFHSA-N 326.440 3.833 0 50 EHAA Cn1nc(CSc2nccn2Cc2ccc(F)cc2)cc1Cl 2325819511 HNGYMHQOICAQCV-UHFFFAOYSA-N 336.823 3.750 0 50 EHAA C[C@@H](CNc1nccc(N2Cc3ccccc3C2)n1)Cc1ccccn1 2325874747 ZQXYCVSOQDVTSD-MRXNPFEDSA-N 345.450 3.683 0 50 EHAA CCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3)coc2c1 44641 LCIOWKFVLJFHIS-UHFFFAOYSA-N 340.331 3.527 0 50 EHAA biogenic CC[C@@H](Sc1nccn1C)C(=O)Nc1nc2ccccc2s1 77145 QTTCWFPVIJPELW-LLVKDONJSA-N 332.454 3.539 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1C 314188 WLCWOUOKZJYFJQ-CQSZACIVSA-N 342.826 3.948 0 50 EHAA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@@H]1c1ccccc1 439596 GIXDRMQMUNQFSF-UWJYYQICSA-N 334.419 3.955 0 50 EHAA COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1Cl 1078831 GCGZRRYKINGWIB-UHFFFAOYSA-N 343.857 3.871 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccc(C(F)(F)F)cc1 2597327 WJMVMQYNFZQHGW-NSHDSACASA-N 333.306 3.746 0 50 EHAA O=C(c1ccc(Cl)o1)N1CCC2(CC1)OCCc1sccc12 2356168600 KNUXCHUMVUMGOE-UHFFFAOYSA-N 337.828 3.699 0 50 EHAA CCCCN(CCCC)C(=O)CCn1c(=O)sc2ccccc21 4121587 NDUYWBLQCSSRHK-UHFFFAOYSA-N 334.485 3.882 0 50 EHAA COc1ccc(CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4599619 XXIHOTQFZJJPEI-UHFFFAOYSA-N 328.456 3.506 0 50 EHAA Cc1nnc(NC(=O)c2ccc(OCc3ccccc3)cc2)s1 4842874 UEELFQDVDPOAIC-UHFFFAOYSA-N 325.393 3.678 0 50 EHAA CCCCc1ccc(NC(=O)N2CCN(Cc3ccco3)CC2)cc1 6698550 PCOYSSGTCPHUQN-UHFFFAOYSA-N 341.455 3.972 0 50 EHAA O=Cc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1 114446577 RBTXNWWNDUZLDU-UHFFFAOYSA-N 333.269 3.645 0 50 EHAA Cc1n[nH]c(-c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)n1 50897608 CAQJZAWCGFTAQL-UHFFFAOYSA-N 348.740 3.964 0 50 EHAA COc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1OCCN(C)C 55271894 ZEXQOSJXDWCAFI-UHFFFAOYSA-N 339.439 3.796 0 50 EHAA COc1ccccc1C(=O)Nc1nc(-c2ccc(C)s2)ns1 21806012 GXAXMKOWZVUSPJ-UHFFFAOYSA-N 331.422 3.836 0 50 EHAA CCC(=O)NC[C@@H]1CCCN(Cc2ccccc2-c2ccco2)C1 67641285 OZKYWZONHYPBCV-INIZCTEOSA-N 326.440 3.685 0 50 EHAA O=C1Nc2cc(Cl)ccc2[C@H]1C1CCN(C(=O)c2ccco2)CC1 363100922 CZKJDYOZLPVBGV-MRXNPFEDSA-N 344.798 3.521 0 50 EHAA C[C@H](c1ccccc1)N1CC[C@@H](NCc2ccccc2-n2cccn2)C1 229419902 APIBAPAPFRNTGG-WIYYLYMNSA-N 346.478 3.797 0 50 EHAA Cc1c(Cl)cccc1C(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67758615 FVJUFZZDKJGOPL-UHFFFAOYSA-N 329.831 3.892 0 50 EHAA CC(C)(C)OC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 36440316 LHJZQQDQPDWNNI-UHFFFAOYSA-N 348.443 3.560 0 50 EHAA C[C@@H]1CCc2c(sc3ncn4nc(-c5ccccc5O)nc4c23)C1 2786914 WXACYABAKLNYNS-SNVBAGLBSA-N 336.420 3.836 0 50 EHAA CO[C@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2N(C)C1=O 34723193 NUPVEWMVMAZQIC-MRXNPFEDSA-N 349.217 3.780 0 50 EHAA Cc1cccnc1[C@H](C)NC(=O)c1ccc(CCC(C)(C)O)cc1 72454657 QSJMJTLBQCKQAS-HNNXBMFYSA-N 326.440 3.585 0 50 EHAA Cc1nc(NC(=O)N2CCC(c3ccnc(C(C)C)n3)CC2)oc1C 362399455 ANFSWUKUSOXXAL-UHFFFAOYSA-N 343.431 3.616 0 50 EHAA Cc1ncsc1CCC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1 12709514 LSKGHDRMXIEEEL-MRXNPFEDSA-N 349.544 3.688 0 50 EHAA C[C@H](c1nc(Cc2ccccc2)no1)N1CCc2sccc2C1 158814822 HJRCJUQVNXUQLP-CYBMUJFWSA-N 325.437 3.841 0 50 EHAA C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2ccc(C(=O)O)cc2)C1 263366890 WKLWLRZHUBUGAX-UGSOOPFHSA-N 341.382 3.676 0 50 EHAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NC1CCC(C(=O)O)CC1 263065418 SMHJVKIGHMIBQV-PIMMBPRGSA-N 348.443 3.544 0 50 EHAA O=C(c1cc2ccccc2cc1OC(F)F)N1CCOC2(CCC2)C1 128612120 LYBDGGKFLUUCJJ-UHFFFAOYSA-N 347.361 3.836 0 50 EHAA CCc1c(C(=O)N2CC[C@H]2c2ccccc2F)cnn1CC(C)C 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PXBYJNXNGCFQSJ-UHFFFAOYSA-N 344.798 3.717 0 50 EHAA CC(C)(C)OC(=O)n1cc(Br)c2ccc(CO)cc21 95616354 CFHHUIOLYDNDSU-UHFFFAOYSA-N 326.190 3.679 0 50 EHAA Cc1nc(CCCNC(=O)c2c(C)oc3c2C(=O)CCC3)sc1C 299765147 XBMDZQUGIFDYDX-UHFFFAOYSA-N 346.452 3.543 0 50 EHAA COc1cccc(N2CCC(NCc3cc(CC(C)C)no3)CC2)c1 952965390 PBCKUAIBBCNTAJ-UHFFFAOYSA-N 343.471 3.640 0 50 EHAA C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)Sc1ccccc1 170601250 NAOJQZXNEQYDQG-CQSZACIVSA-N 326.465 3.590 0 50 EHAA Cc1ccc(C(=O)Nc2cc(C(=O)O)cs2)c(Br)c1 191366101 QFDPXPMDYHXTLF-UHFFFAOYSA-N 340.198 3.770 0 50 EHAA COc1cccc(-c2nnc(NCc3cccc(F)c3F)o2)c1OC 195562483 ZOLGIPVGWHRNCO-UHFFFAOYSA-N 347.321 3.644 0 50 EHAA FC(F)(F)CCCN1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 216753364 MGHDXSPCANXOQQ-SJORKVTESA-N 326.406 3.925 0 50 EHAA OC[C@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccccn2)C1 11937298 QVBIECRXUPVDQP-IBGZPJMESA-N 330.859 3.552 0 50 EHAA CCn1ncc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c1C 12028603 TYKRKATUUFGBTM-MRXNPFEDSA-N 334.414 3.566 0 50 EHAA CCCCN1C(=O)COc2ccc(NC(=O)c3ccccc3F)cc21 12126176 DZCRYDVTPOWRNJ-UHFFFAOYSA-N 342.370 3.604 0 50 EHAA O=C(c1cccc(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1 19597580 GUMVUXYDSKHJOY-VMPITWQZSA-N 340.854 3.811 0 50 EHAA CCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 19928724 JPBYWCJFNGYABA-UHFFFAOYSA-N 344.405 3.608 0 50 EHAA COc1ccc(CCNC(=O)/C=C/c2cccc(F)c2)cc1Cl 4542924 LAIABSJHRBGPLO-SOFGYWHQSA-N 333.790 3.860 0 50 EHAA COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)[C@H]2CCOC2)cc1 328587391 KYXOHIMXBUTKST-YJBOKZPZSA-N 339.435 3.918 0 50 EHAA O=C(c1cccc(Cn2ccnc2)c1)N(Cc1ccccc1F)C1CC1 253392649 IEQWNXZBGUGNNG-UHFFFAOYSA-N 349.409 3.875 0 50 EHAA CC1(CNC(=O)N2CCC[C@H]2C[C@H]2CCCc3ccccc32)COC1 372783578 NLYHPPCWYVDCRN-MSOLQXFVSA-N 342.483 3.707 0 50 EHAA c1ccc2c(c1)CN(Cc1ccc3c[nH]nc3c1)CC1(CCOCC1)O2 932038535 LEIKSLVTDTWGKI-UHFFFAOYSA-N 349.434 3.507 0 50 EHAA O=C(c1cc(C(F)F)ncn1)N1CC[C@@H](CSc2ccccc2)C1 933740914 PLJQIXSYKQGOEP-GFCCVEGCSA-N 349.406 3.669 0 50 EHAA CC(C)n1ncc2ccc(NC(=O)C3CN(C4CCCCC4)C3)cc21 1136569456 SYGGRIBIKWGZKE-UHFFFAOYSA-N 340.471 3.820 0 50 EHAA Cc1cc(Cc2nnc(COc3ccc(C(C)(C)C)cc3)o2)no1 952874707 CMFGNVDMMODSBZ-UHFFFAOYSA-N 327.384 3.833 0 50 EHAA C[C@@H](CNC(=O)c1cc(N(C)C)nc2ccccc12)c1ccsc1 1875258511 HZHZQZCJKIZNCX-ZDUSSCGKSA-N 339.464 3.896 0 50 EHAA O=C(NC1Cc2cscc2C1)c1c[nH]nc1-c1ccc(Cl)s1 1875349481 YYIVFTRFHCXEPJ-UHFFFAOYSA-N 349.868 3.750 0 50 EHAA C[C@@H](NC(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1ccns1 896045272 GPMHBGIOWNOROL-OCCSQVGLSA-N 349.431 3.596 0 50 EHAA N[C@@H](CC(=O)Nc1cnc(-c2cccc(F)c2)nc1)CC1CCCC1 2325853164 GBXSEPWMBPTAQF-MRXNPFEDSA-N 342.418 3.519 0 50 EHAA Cn1nc(C(F)(F)F)c(CO)c1Oc1cccc(C(F)(F)F)c1 169412 BJRDDNWYIXOJIN-UHFFFAOYSA-N 340.223 3.742 0 50 EHAA O=S(=O)(c1ccccc1)N1CCS[C@H]1c1ccc(Cl)cc1 194558 IUVJGHUBFWVJIL-HNNXBMFYSA-N 339.869 3.776 0 50 EHAA COC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CC[C@H](C)C2 433892 REXCSYHGRIWVOI-VIFPVBQESA-N 333.409 3.813 0 50 EHAA Cc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 461855 FCYOAPTUXGTPFI-UHFFFAOYSA-N 336.482 3.683 0 50 EHAA COC(=O)CSc1snnc1-c1ccc(Cl)cc1Cl 1385746 ZRECDRIASQYTMM-UHFFFAOYSA-N 335.237 3.777 0 50 EHAA COc1ccc2nc(SCC(=O)Nc3ccc(C)cc3)[nH]c2c1 2752859 OIHXEIDYPRIVLO-UHFFFAOYSA-N 327.409 3.611 0 50 EHAA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(C)cc2)cc1 3623791 YYCDUTQPZQNVCW-SFHVURJKSA-N 341.407 3.730 0 50 EHAA CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC1CCCCC1 4512768 FLLDJZIPIOXNDC-UHFFFAOYSA-N 348.834 3.864 0 50 EHAA C[C@@]1(O)N(CCc2ccccc2)C(=O)O[C@]1(C)CCc1ccccc1 4625161 YZRUAHZNAPSQLK-RTWAWAEBSA-N 339.435 3.781 0 50 EHAA Cn1nc(C2CC2)cc1C(=O)NC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 12402584 VHRJVZOADCNDFT-GOSFSIBNSA-N 327.472 3.776 0 50 EHAA COc1cccc(OCc2nc(C(=O)N3CCCCCCC3)co2)c1 12760368 DDGOTKLLWDROBX-UHFFFAOYSA-N 344.411 3.669 0 50 EHAA COc1cccc(CN2CCC[C@@]3(CCN(CCC(C)C)C3)C2=O)c1 15070639 OLQILJZZRDTSFN-NRFANRHFSA-N 344.499 3.556 0 50 EHAA CN1CCC(NC(=O)c2sc3cccc(F)c3c2Cl)CC1 16602872 NUENLIGVEWOIFX-UHFFFAOYSA-N 326.824 3.518 0 50 EHAA Cn1ccc(-c2cc(C(F)F)c3cnn(-c4ccccc4F)c3n2)n1 20603109 AFYTWWNARKLPGI-UHFFFAOYSA-N 343.312 3.898 0 50 EHAA Cc1nc(CNC(=O)c2cccc3c4c([nH]c23)CCCC4)cs1 42118387 HDJXZASWRGZRNQ-UHFFFAOYSA-N 325.437 3.742 0 50 EHAA CC(C)(C)OC(=O)N[C@H](c1ccccc1)S(=O)(=O)c1ccccc1 43681914 OUHZVJQYJUWAIE-INIZCTEOSA-N 347.436 3.684 0 50 EHAA CCCSc1ncc(CN[C@H](C)c2c(C)nn(CC)c2C)cn1 55108382 CKVOOTMUDHAKOE-GFCCVEGCSA-N 333.505 3.663 0 50 EHAA O=C(O)C[C@H](CNC(=O)OCc1ccccc1)c1ccc(Cl)cc1 64038026 SFFATUNMKIFTNL-OAHLLOKOSA-N 347.798 3.825 0 50 EHAA C[C@@H](c1cccc(-c2cccc(C(=O)c3nccn3C)c2)c1)N(C)C 65398717 XMHSCDLGJGDEIV-HNNXBMFYSA-N 333.435 3.941 0 50 EHAA COc1cccc(Cn2ccnc2-c2nc3ccccc3n2C)c1OC 67886582 FSNPYNNQAMDHTJ-UHFFFAOYSA-N 348.406 3.502 0 50 EHAA Cc1n[nH]c(C)c1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71750750 ONDZLWZLCFYMKL-INIZCTEOSA-N 340.254 3.907 0 50 EHAA CN(Cc1cc(-c2ccccn2)no1)C(=O)C[C@H]1CCc2ccccc21 91504978 SGMALDXZTGNHFC-MRXNPFEDSA-N 347.418 3.815 0 50 EHAA O=C(Cn1ccnc1-c1ccccc1)NCc1c(F)cccc1Cl 91894514 NTKFHQKSBVKKNK-UHFFFAOYSA-N 343.789 3.659 0 50 EHAA C[C@@H](c1ccccc1)n1nccc1NC(=O)N(C)C1CCSCC1 95499788 MTUQSZWNWHCCNJ-AWEZNQCLSA-N 344.484 3.852 0 50 EHAA Cc1nc(NC(=O)N(C)[C@@H](C)c2ccccn2)ccc1Br 128445272 BVTWVCNJVSGTBG-NSHDSACASA-N 349.232 3.772 0 50 EHAA CC(C)Oc1cncc(C(=O)Nc2n[nH]c3c(Cl)cccc23)c1 154214946 VHNDRRHXZHFVHR-UHFFFAOYSA-N 330.775 3.651 0 50 EHAA COc1cccc2c1CC[C@@H]2NC(=O)Nc1ccc2nc(C)oc2c1 157527800 CQRLFRGORUTIAT-HNNXBMFYSA-N 337.379 3.954 0 50 EHAA O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCCO[C@@H]2CCC[C@@H]21 169988208 BMJBLAFKXVNAQQ-VQTJNVASSA-N 338.451 3.784 0 50 EHAA C[C@H]1CCO[C@H]([C@@H](N2CCSC3(CCCCC3)C2)C(C)(C)O)C1 170607459 SSOPRBFADJMCSV-YESZJQIVSA-N 341.561 3.693 0 50 EHAA CC(C)c1nc([C@@H]2CCCN2C(=O)N2CCc3ccccc32)no1 176775645 ANCDBLRRSXJPHU-HNNXBMFYSA-N 326.400 3.513 0 50 EHAA Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1C 188789113 IWUUZRDMXSRGNK-AZUAARDMSA-N 347.414 3.952 0 50 EHAA CC(C)c1cc(CN2CCN(c3nsc4ccccc34)CC2)on1 215668675 JVWBSLYFTBSPPJ-UHFFFAOYSA-N 342.468 3.730 0 50 EHAA CC(C)c1ccc([C@H](N)CNC(=O)CCC(=O)c2cccs2)cc1 236761007 CRWNILQPZKLLBB-MRXNPFEDSA-N 344.480 3.651 0 50 EHAA C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1csc(CN)n1 237687531 YKJWVKRUZLGFCS-WDEREUQCSA-N 337.876 3.519 0 50 EHAA Cc1csc2c(N3CCC[C@H]3C[C@@H](O)c3ccco3)ncnc12 248667699 QFDCZGLYZGWOBU-QWHCGFSZSA-N 329.425 3.685 0 50 EHAA CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(COC)cc1 252488763 IYLCLVNZCIHDEG-UHFFFAOYSA-N 342.395 3.616 0 50 EHAA CN(C(=O)C1=CCOCC1)[C@@H](c1ccc(Cl)cc1)c1cccnc1 252500329 SSJIWGUCDQRPRP-SFHVURJKSA-N 342.826 3.630 0 50 EHAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](N[C@@H]2CCCc3cccnc32)CC1 252669845 IUOWKWOLHMLRTR-BRWVUGGUSA-N 345.487 3.885 0 50 EHAA Cc1ncc(C)c(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n1 253601335 PLWVRWSKFKYXHS-UXHICEINSA-N 333.435 3.601 0 50 EHAA CN(C[C@@H]1CCN(C)C1(C)C)C(=O)c1cccc(C(F)(F)F)c1 299767851 WGSJGXVLMSXCSF-AWEZNQCLSA-N 328.378 3.508 0 50 EHAA CC(C)c1noc([C@@H](C)N2CCC(c3ccccc3C(=O)O)CC2)n1 364836101 AHCVXEZNUYKKMJ-CYBMUJFWSA-N 343.427 3.832 0 50 EHAA Cc1nccn1CCNC(=O)N1CCCCC[C@H]1c1cccc(F)c1 426392724 GBOIWFIWZMDSLJ-SFHVURJKSA-N 344.434 3.658 0 50 EHAA CC[C@@H](c1ccccn1)N(C)C(=O)c1c[nH]nc1-c1cccs1 426517608 RMCVAUAKPBOYSV-AWEZNQCLSA-N 326.425 3.757 0 50 EHAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cc(C(F)(F)F)ccc2F)C1 888079289 SYDCZRHCEWUQGQ-TZMCWYRMSA-N 343.324 3.530 0 50 EHAA Cc1ccn2ncnc2c1NC(=O)c1ccc(N2CCCCCC2)cc1 905729526 UWWDHRHTMZVBJY-UHFFFAOYSA-N 349.438 3.670 0 50 EHAA C[C@@H]1CCCN(C(=O)Nc2cccnc2-n2cncn2)c2ccccc21 930072028 NZAVTBZGHDFVDM-CQSZACIVSA-N 348.410 3.598 0 50 EHAA Cc1c(O)nc2ccccc2c1C(=O)N1CCC(c2ccccn2)CC1 935067241 GMBKYDQYABQIQG-UHFFFAOYSA-N 347.418 3.664 0 50 EHAA O=C(CCC(=O)N(CC1CC1)C1CCCCC1)Nc1cccc(O)c1 1506417868 BZGCLXKAPLEJPU-UHFFFAOYSA-N 344.455 3.682 0 50 EHAA Cn1c(C2CC2)nc2c1CCN(c1nccc3c4c([nH]c13)CCCC4)C2 1875269417 CDPDQHAGODEGHO-UHFFFAOYSA-N 347.466 3.615 0 50 EHAA COc1cccc([C@@H](CNC(=O)c2ccccc2C2CC2)N(C)C)c1 1875278181 GLVNRVWDPRNUDW-HXUWFJFHSA-N 338.451 3.605 0 50 EHAA c1cnc2c(c1)[C@H](NCc1ccc(Oc3cnccn3)cc1)CCC2 1875285857 CYHNLECFVXMMJM-LJQANCHMSA-N 332.407 3.831 0 50 EHAA C[C@@H](CSc1ccccc1)C(=O)N1CCc2cc(F)c(O)cc2C1 1875299255 FHFYRXLIKDBNTR-ZDUSSCGKSA-N 345.439 3.844 0 50 EHAA CNC1(CNC(=O)Nc2ccc(C3CCOCC3)cc2)CCCCC1 2325803888 IESBHTONXMYBMB-UHFFFAOYSA-N 345.487 3.624 0 50 EHAA CCc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)cc1 54363 BKTPMQFELPRFMG-UHFFFAOYSA-N 328.437 3.559 0 50 EHAA Cc1ccc(C)c(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)c1 190694 NTNQBQNYRIXLMV-FQEVSTJZSA-N 348.402 3.947 0 50 EHAA C[C@H](CCc1ccccc1)NC(=O)C1(c2ccccc2)CCOCC1 195235 JFGNKFXGCXHFBH-GOSISDBHSA-N 337.463 3.872 0 50 EHAA O=C(/C=C/c1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1 228990 MJRSSEZUSSKEBD-XCVCLJGOSA-N 344.817 3.841 0 50 EHAA CCOC(=O)c1cccc(NC(=O)c2ccccc2Br)c1 250001 PYYVUPNPOLOKIG-UHFFFAOYSA-N 348.196 3.878 0 50 EHAA O=S(=O)(NCCc1ccccc1)c1cc(Cl)ccc1Cl 252944 LWUDOHDPVJHTLE-UHFFFAOYSA-N 330.236 3.514 0 50 EHAA CN(C)C(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 262497 BTFHIAOMBTXHSI-VIFPVBQESA-N 345.057 3.719 0 50 EHAA CCOc1cc(CO)ccc1OCc1ccc(Br)cc1 461732 DXMKOVSXDYKNFD-UHFFFAOYSA-N 337.213 3.919 0 50 EHAA C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 527717 BOMSQFAAAZIQHP-LLVKDONJSA-N 325.286 3.991 0 50 EHAA Cc1cccc(Nc2nc3nonc3nc2NNc2ccccc2)c1C 973689 CNKJNDGJYNHHCA-UHFFFAOYSA-N 347.382 3.812 0 50 EHAA COc1ccccc1O[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 1058838 YKCBMJDPYHRXRR-SNVBAGLBSA-N 346.383 3.850 0 50 EHAA Cc1nnc(SCCC(=O)Nc2cccc(C(F)(F)F)c2)s1 2773720 JIMUNNSYKYLOIT-UHFFFAOYSA-N 347.387 3.986 0 50 EHAA Cn1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)n1 2799026 RZTCBIGXKFYUTP-UHFFFAOYSA-N 337.166 3.634 0 50 EHAA CC(C)c1cc(Br)ccc1OCCNC[C@H]1CCCO1 4870310 VQDDONSKHABMBD-CQSZACIVSA-N 342.277 3.720 0 50 EHAA Cc1ccccc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 6699539 KXRRHEPKGZUEHV-UHFFFAOYSA-N 332.806 3.750 0 50 EHAA CCc1c(C)sc(NC(=S)N2CCCC[C@H]2C)c1C(=O)OC 6708250 ALNTXHUFVGQRDE-SNVBAGLBSA-N 340.514 3.977 0 50 EHAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)NC(C)(C)C)C2)c1 11879470 CFPVKHXRHXXUMN-INIZCTEOSA-N 346.471 3.877 0 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ODRFEPKENVLUPV-KRWDZBQOSA-N 347.418 3.609 0 50 EHAA Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)C3CC3)cc2c1 67434185 QRVOIWVSUMHQHI-UHFFFAOYSA-N 333.435 3.705 0 50 EHAA CC(=O)NCC[C@H]1CCCN(Cc2ccc3cccc(Cl)c3n2)C1 67723694 UKLKLYLHFQVLSL-OAHLLOKOSA-N 345.874 3.626 0 50 EHAA CC(=O)N1CCC[C@]2(CCN(Cc3c(F)ccc(C)c3Cl)C2)C1 67947969 MFJYQOQWAJBBKZ-GOSISDBHSA-N 338.854 3.622 0 50 EHAA O=C(O)[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2cccnc2)C1 71661257 SDGDIGGLXBRHFA-LJQANCHMSA-N 344.842 3.645 0 50 EHAA Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)s1 72428988 KRZZMWUGMUECFD-CQSZACIVSA-N 344.415 3.753 0 50 EHAA c1ccc(-c2nc(N3CCCN(Cc4cccs4)CC3)no2)cc1 77407685 UEMHZHHCMGRBHH-UHFFFAOYSA-N 340.452 3.510 0 50 EHAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCCc3cccc(C)n3)c2c1 91625561 XLKYVLNPEIPUTN-UHFFFAOYSA-N 335.451 3.698 0 50 EHAA Cc1ccncc1C(=O)N[C@H](C)c1cnn(-c2ccccc2C)c1C 91745853 RFEOHBMBWZLCOC-OAHLLOKOSA-N 334.423 3.684 0 50 EHAA CC(C)c1cc(C(=O)NC2(Cc3ccc(Cl)cc3)CC2)n(C)n1 91915012 HAJKVDRANATMBL-UHFFFAOYSA-N 331.847 3.702 0 50 EHAA Cc1cc(C)c2c(N[C@@H](c3nc(C4CC4)no3)C(C)C)ncnc2n1 95377849 CLMVTDQGBHQFDD-CQSZACIVSA-N 338.415 3.711 0 50 EHAA CCc1nnc(CN(CC)C(=O)Nc2ccc3nc(C)sc3c2)o1 96140406 SYUXMUQIMRTYEY-UHFFFAOYSA-N 345.428 3.604 0 50 EHAA C[C@@H](c1ccc(C(=O)NCCc2cccc(F)c2)o1)N1CCCCC1 97402522 AHFDJJNMZPYYDO-HNNXBMFYSA-N 344.430 3.938 0 50 EHAA CCCCCOc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100320051 VQVRPWHSVSDCGB-ZZCKCESHSA-N 343.423 3.717 0 50 EHAA COc1cccc(OC)c1CC(=O)N(c1ccccn1)C1CCCC1 154639196 KXJFZHBNZUXYIV-UHFFFAOYSA-N 340.423 3.617 0 50 EHAA Cc1nc(N[C@@H](C)c2noc(C)n2)c2c3c(sc2n1)CCCC3 162000775 GSHFTVJLSCPUBX-QMMMGPOBSA-N 329.429 3.743 0 50 EHAA O=C(Cc1ccncc1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 182002856 KJSUKOTYIXNWDP-UHFFFAOYSA-N 337.398 3.651 0 50 EHAA Cc1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)nc1 184212058 YHWMHWZNYGMAEJ-FUHWJXTLSA-N 325.412 3.679 0 50 EHAA CCO[C@@H]1C[C@H](N(C)c2cc(CC)nc(-c3ccccn3)n2)C1(C)C 225383772 KPPXIEKDEVTCOE-DLBZAZTESA-N 340.471 3.741 0 50 EHAA Fc1ccccc1[C@@H](NCCCCn1ccnn1)[C@@H]1C[C@H]2CC[C@H]1C2 225411711 GTGVHSZLVLGWGF-JSFADZTLSA-N 342.462 3.965 0 50 EHAA O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N(Cc1ccco1)Cc1ccco1 230156365 ZDICWJPSEKSERM-KSZLIROESA-N 344.411 3.542 0 50 EHAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1)c1ccccn1 248255680 OEGNBELKYUKUJI-TUKIKUTGSA-N 345.240 3.825 0 50 EHAA O=C(O)C1CCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1 261773876 XEVMVCZDNDXUPE-UHFFFAOYSA-N 340.379 3.807 0 50 EHAA Cc1ccc2[nH]c([C@H]3CCCN(Cc4ccc(C(=O)O)cc4)C3)nc2c1 263562894 CZSXSXXYBQCQKB-KRWDZBQOSA-N 349.434 3.949 0 50 EHAA Cc1ccc(C)c([C@@H]2CN(C(=O)c3cn(C(C)C)cn3)[C@@H](C)CO2)c1 282680830 JGTXPRLVJPOKLT-LPHOPBHVSA-N 341.455 3.683 0 50 EHAA CCc1ccc([C@H](C)NC(=O)N2CCC3(CCOCC3)CC2)cc1 284008184 MXGFGOKJHUMFCE-INIZCTEOSA-N 330.472 3.912 0 50 EHAA C[C@H]1CN(C(=O)Nc2cnn(C)c2-c2ccccc2)CCC1(F)F 289802353 UZBTXBJBTCEKNM-LBPRGKRZSA-N 334.370 3.596 0 50 EHAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1cccc(OC3CCCC3)c1)CC2 299763775 RPSRFRJVWAILEJ-JRGCBEDISA-N 345.483 3.512 0 50 EHAA Cc1nc([C@H](C)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n[nH]1 331397891 GPCDAAKHZWLGDO-JOYOIKCWSA-N 341.242 3.634 0 50 EHAA CN(C(=O)CC1(C(F)(F)F)CC1)c1ccc(-c2ccccc2)nn1 342482261 RHMGCURPCWPJJG-UHFFFAOYSA-N 335.329 3.839 0 50 EHAA Cc1nc(CN[C@@H]2CCOc3c(Br)cccc32)oc1C 374304403 YPWFONRALLXZBF-CYBMUJFWSA-N 337.217 3.667 0 50 EHAA O=C(Nc1ccc(CCN2CCCC2)cc1)c1cccnc1C1CC1 390833041 BBQSIHALGLEHPH-UHFFFAOYSA-N 335.451 3.850 0 50 EHAA O=C(Nc1ccc2oc(C(=O)O)cc2c1)c1ccc(-n2cccn2)cc1 440000674 HCQUVYWZGQQTCB-UHFFFAOYSA-N 347.330 3.569 0 50 EHAA CS[C@H]1CCN(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)C1 454664043 YRQFZQNMNRPSCQ-HNNXBMFYSA-N 345.424 3.501 0 50 EHAA O=C(Cc1ccc(-n2cccn2)cc1)NCc1ccc(C2CCC2)cc1 495143202 XTBUHRFIMMQSTO-UHFFFAOYSA-N 345.446 3.999 0 50 EHAA CN1CCC(N[C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 495259021 IIQIZPGCFFPXEM-LJQANCHMSA-N 329.875 3.703 0 50 EHAA CC[C@H](C)n1ncc(C(=O)NCC2(c3ccccn3)CC2)c1C1CC1 802578457 RQVHGDMPZZOLLA-AWEZNQCLSA-N 338.455 3.588 0 50 EHAA Fc1cc(Cl)ccc1N1CC[C@@H](N[C@H]2CCC23CCOCC3)C1 858547162 DSOXLDXTQPLTLV-PBHICJAKSA-N 338.854 3.607 0 50 EHAA CCc1nc(C)cc(NC[C@@H](c2ccc(Cl)cc2)n2ccnc2)n1 888094698 ARGLJHAFFGMPHR-INIZCTEOSA-N 341.846 3.899 0 50 EHAA c1ccc(-c2noc(C3CCN(Cc4nccn4C4CC4)CC3)n2)cc1 891939749 DOKKZKIHUWELCX-UHFFFAOYSA-N 349.438 3.648 0 50 EHAA CCN(CC)[C@@H](C)CNc1nc(C(F)(F)F)nc2ccccc12 915108703 CCTCJSXFDGZUDF-NSHDSACASA-N 326.366 3.791 0 50 EHAA CC1(c2cc(NC(=O)NC[C@]34C[C@H]3COC43CCC3)no2)CCCC1 931132402 OLYPWXFDZLPZJF-SCLBCKFNSA-N 345.443 3.587 0 50 EHAA C[C@H](Nc1nccc2c1C(=O)OC2(C)C)c1cc(F)ccc1N(C)C 1338480727 VFSDUJHIZCZBMN-NSHDSACASA-N 343.402 3.865 0 50 EHAA O=C(C[C@@H]1CCOC1)Nc1ncnc2scc(-c3ccccc3)c12 1340752389 IBXJDJMNZAKUMI-LBPRGKRZSA-N 339.420 3.723 0 50 EHAA C[C@@H](C1CC1)n1cc(NCc2cc3ccc(F)cc3nc2O)cn1 1474121739 GYLMNDBTSXPIKY-NSHDSACASA-N 326.375 3.859 0 50 EHAA Cc1ccc(Cl)c(CN2CCC3(CC2)C[C@](C)(O)CCO3)c1F 1704330789 KDQNQKQZEDOECG-QGZVFWFLSA-N 341.854 3.684 0 50 EHAA C[C@H](COc1cccc(Br)c1)NC(=O)OC(C)(C)C 1772572601 VAMHQRJQNBLPAZ-SNVBAGLBSA-N 330.222 3.741 0 50 EHAA CNC(=O)c1cccc(CCN[C@@H]2C=C[C@@](C)(c3ccccc3)CC2)c1 1875305251 NRTWQHQWBYHXIA-FYYLOGMGSA-N 348.490 3.855 0 50 EHAA CC1(c2nc(-c3ccc(COc4ccccc4)cc3)no2)CCNCC1 2325705577 LGORGYAVZXVRMR-UHFFFAOYSA-N 349.434 3.957 0 50 EHAA CC1(C)CC[C@@]2(C[C@H]2CNC(=O)/C=C/c2ccncn2)c2ccccc21 2325723196 FPPFCMDCMZSTDE-SFBJNNDYSA-N 347.462 3.635 0 50 EHAA Cc1ccc2c(c1)c(CCN[C@@H](C)c1cnc(Cl)n1C)cn2C 2325790502 QSCJFSMZYCJIMN-ZDUSSCGKSA-N 330.863 3.767 0 50 EHAA C[C@@H](C(=O)O[C@H]1CCC2(COC2)C1)c1cccc(Br)c1 2325799703 QUEJPOGZDXBPHK-RISCZKNCSA-N 339.229 3.665 0 50 EHAA COC(=O)c1cccc2c(CN3CCC[C@H]3c3cccn3C)c[nH]c12 2325858976 IXZLLNFSNNCQNV-SFHVURJKSA-N 337.423 3.630 0 50 EHAA COc1ccc(CN2CCC[C@@]3(CCc4c[nH]nc43)C2)cc1Cl 2356135794 TUFGDADCDIEAHF-GOSISDBHSA-N 331.847 3.552 0 50 EHAA CCCC(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C(=O)OCC 149469 OCALQQBSSLMLRS-UHFFFAOYSA-N 341.429 3.537 0 50 EHAA C[C@@H](NC(=O)C1CCCC1)c1ccc(I)cc1 306288 RHEISUIOLBTWNX-SNVBAGLBSA-N 343.208 3.659 0 50 EHAA CCc1c(C(=O)Nc2nnc(-c3cccnc3)s2)csc1C 373543 JFXCRIUUWMMFAT-UHFFFAOYSA-N 330.438 3.785 0 50 EHAA O=C(CSCC(=O)Nc1cccc(Cl)c1)Nc1ccccc1 528364 JCJUVYPWOUOHCI-UHFFFAOYSA-N 334.828 3.650 0 50 EHAA COC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1 1013592 BSVYSAJSSALRHA-UHFFFAOYSA-N 339.391 3.692 0 50 EHAA CCCOc1ccc(C(=O)Nc2sc(C)cc2C(=O)OC)cc1 2752683 IXRTXJZDJSGRQD-UHFFFAOYSA-N 333.409 3.884 0 50 EHAA CCc1cc(C(=O)OC)c(NC(=S)N[C@H](C)c2ccncc2)s1 2856127 PRYUGLHQLKPFRM-SNVBAGLBSA-N 349.481 3.540 0 50 EHAA c1cncc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)c1 4511753 MANYKPRAHDYWPM-UHFFFAOYSA-N 347.447 3.717 0 50 EHAA CC1CCN(C(=O)CSCc2cccc(Br)c2)CC1 4956116 VKINFSUDVMOXSB-UHFFFAOYSA-N 342.302 3.941 0 50 EHAA CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(NC(C)=O)cc1 6729960 GMQNPXFNCCPYIK-GOSISDBHSA-N 326.396 3.750 0 50 EHAA CC[C@@H](CO)N(Cc1ccco1)Cc1c(C)nn(C(C)(C)C)c1C 55072522 SGOJFBPXUXDSHF-INIZCTEOSA-N 333.476 3.621 0 50 EHAA Clc1ccc([C@H](Cc2cccnc2)NCC2=CCCOC2)cc1 348248777 XMTJIOXHMIHFTK-IBGZPJMESA-N 328.843 3.955 0 50 EHAA CCC(CC)n1ncc2c1NC(=O)C[C@@H]2c1ccnn1-c1ccccc1 65420948 OGFSZAFDRPHRHF-INIZCTEOSA-N 349.438 3.904 0 50 EHAA Cc1ccccc1Oc1ncccc1CNC(=O)Cc1cccc(O)c1 67562130 ZJHVUNMDLCLZQO-UHFFFAOYSA-N 348.402 3.747 0 50 EHAA CC(=O)c1ccccc1OCC(=O)c1ccc(Br)cc1 473976 UGWMDJCTANOSKL-UHFFFAOYSA-N 333.181 3.913 0 50 EHAA O=C(CSc1nc2ccccc2o1)NCc1ccc(Cl)cc1 3618880 UHADYUREMGHJDN-UHFFFAOYSA-N 332.812 3.890 0 50 EHAA O=C(NCc1cnn2ccccc12)C1(c2ccccc2)CCCCC1 72167786 CYOPSQFYLOGSJU-UHFFFAOYSA-N 333.435 3.853 0 50 EHAA O=C(Nc1cccc2ccccc12)c1cn2c3c(cccc3c1=O)CC2 33088738 VWVFQQZBHJWALX-UHFFFAOYSA-N 340.382 3.963 0 50 EHAA COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2ccnnc2)cc1 328586460 JJTCFMGHFIUVRX-HNNXBMFYSA-N 347.418 3.985 0 50 EHAA CCc1nc(C)c(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)s1 439991994 IQKAAEGJJAOHQZ-UHFFFAOYSA-N 330.365 3.711 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N3CC(c4cccnc4)C3)c2c1 72148254 WQQACLLUHHSPID-UHFFFAOYSA-N 331.419 3.740 0 50 EHAA CC(C)(O)[C@H]1CCN(C(=O)c2cccc(-c3ccccc3F)c2)C1 215726325 NHTPUVPGUQKWCY-INIZCTEOSA-N 327.399 3.726 0 50 EHAA O=C(c1ccc2[nH]nnc2c1)N1CCCC[C@@H]1CCc1cccs1 77516923 PMGABPLJIRPEKA-CQSZACIVSA-N 340.452 3.647 0 50 EHAA CCc1ccc([C@@H]2CCCN2C(=O)NCc2nnc(C(C)C)s2)o1 241338624 MCOBSGPBQCQCOI-ZDUSSCGKSA-N 348.472 3.864 0 50 EHAA O=C(c1cn(-c2ccccc2)nn1)N1CCCCC[C@@H]1c1ccco1 72163676 DRVBLZCHPAQXMI-QGZVFWFLSA-N 336.395 3.618 0 50 EHAA COc1ccc(NC(=O)c2ccccc2[C@@H]2CCNC2)cc1Cl 72158166 LAPNARKBHQZJSN-GFCCVEGCSA-N 330.815 3.678 0 50 EHAA CCn1cc(CN2CCC[C@@H](COc3cccc(C)c3)C2)c(C)n1 72463165 GTHRSONEBHVHOT-GOSISDBHSA-N 327.472 3.811 0 50 EHAA CCCC(=O)Nc1cccc(NC(=O)N(C)CCC2CCOCC2)c1 135485711 PQKUBYRROLUTDD-UHFFFAOYSA-N 347.459 3.706 0 50 EHAA CC(C)c1nnc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)s1 283238321 BXTKYGPCUDIWFY-CQSZACIVSA-N 343.452 3.539 0 50 EHAA CCC[C@@]1(CO)CCN(C(=O)c2cc(Cl)c(Cl)cc2OC)C1 290526135 GKTJKTGGZWUJPK-MRXNPFEDSA-N 346.254 3.627 0 50 EHAA CC(C)c1ncc(CN2CCC[C@H](c3ccc(C(=O)O)cc3)C2)cn1 95372887 KZRHKKCEHHDTEH-SFHVURJKSA-N 339.439 3.678 0 50 EHAA O=C(Nc1cccnc1OCC(F)F)c1cccn1C1CCCC1 182768327 PMEAHZPJFMVWFR-UHFFFAOYSA-N 335.354 3.894 0 50 EHAA Cc1ccc([C@H]2Cn3nc(C(=O)NC4CCCCC4)cc3CO2)cc1 263617923 QLAPRLDBHIKZQV-LJQANCHMSA-N 339.439 3.526 0 50 EHAA C[C@H](NC(=O)N(C)Cc1cc(-c2ccncc2)no1)C1CCCCC1 534584502 VNZFYPFMKIIVSJ-AWEZNQCLSA-N 342.443 3.847 0 50 EHAA CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(Cl)cc2C=O)C1 52507737 XTLAVSHUEBPITK-AWEZNQCLSA-N 338.835 3.646 0 50 EHAA CCN(CC1CCOCC1)C(=O)c1cc2cccc(Cl)c2n1C 299760678 WONCLBXFRRBFJI-UHFFFAOYSA-N 334.847 3.720 0 50 EHAA Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@@H]1CCCCN1C 823777502 COAPUZULAHDDSG-SFHVURJKSA-N 343.471 3.547 0 50 EHAA CCCC[C@H]1C(=O)N(C)CCN1Cc1ccc(-c2cccnc2)cc1 952980553 XDKXESXATJBJGV-FQEVSTJZSA-N 337.467 3.581 0 50 EHAA Cc1ccc(S[C@@H](C)C(=O)NCCCn2cc(Cl)cn2)cc1 952971387 JQNJGIBWNBTDGI-ZDUSSCGKSA-N 337.876 3.532 0 50 EHAA Fc1ccc([C@@H]2CN(c3nc4ccccc4[nH]3)CCO2)cc1Cl 301855353 CQDMSUKGERJCSY-INIZCTEOSA-N 331.778 3.933 0 50 EHAA C[C@]1(C(N)=O)CCCCN1Cc1csc(-c2ccc(Cl)cc2)n1 185883792 FUMPMEWNIIRTSW-QGZVFWFLSA-N 349.887 3.693 0 50 EHAA C[C@@]1(c2cccc(F)c2)CCN(c2nnc(C3CCOCC3)s2)C1 651375452 FFLLQUHZYJBURG-GOSISDBHSA-N 347.459 3.739 0 50 EHAA CSCC(=O)Nc1cc(C(F)(F)F)ccc1Br 194962066 XGTPCSRFXKHEEU-UHFFFAOYSA-N 328.153 3.769 0 50 EHAA CCc1nc2ccc(NC(=O)[C@@H]3CCc4cnc(C)n4C3)cc2s1 652491220 CCMNKVZNHAFRDN-GFCCVEGCSA-N 340.452 3.565 0 50 EHAA CCC[C@H]1NC(=O)N(c2ccc(C)c(Oc3cc(C)ccn3)c2)C1=O 777656329 GMHLZUJBWLRJDW-OAHLLOKOSA-N 339.395 3.716 0 50 EHAA O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccccc1F 275633 HDFNXIFKJQUGJQ-ZROIWOOFSA-N 346.155 3.933 0 50 EHAA O=C(c1cccc2cc[nH]c12)N1CCCN(Cc2ccsc2)CC1 1529167901 SLLRUFPHRGKWTN-UHFFFAOYSA-N 339.464 3.578 0 50 EHAA CSc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 463738 PPCRJOZGBYHRED-MHWRWJLKSA-N 342.395 3.641 0 50 EHAA COCc1nnc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)o1 1772702907 BFCNBHGOWPRNLU-IBGZPJMESA-N 345.443 3.545 0 50 EHAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)Cc1ccccn1 12320687 NQOQFEYLDZFFQV-UHFFFAOYSA-N 347.418 3.745 0 50 EHAA CC1=C(C)C[C@H]2C(=O)N(c3ccc(N4CCCCC4)cc3)C(=O)[C@H]2C1 13427597 YVMKBJWHBSKBQW-KDURUIRLSA-N 338.451 3.913 0 50 EHAA O=C(Nc1cccc(C(=O)Nc2ccc(F)cc2)c1)c1ccncc1 14555099 VLGMYBHVBYAWIG-UHFFFAOYSA-N 335.338 3.725 0 50 EHAA O=C1NCCCC[C@H]1n1ccnc1-c1cnc(-c2ccccc2)s1 1857699550 SOJPAIHCNHKGNC-CQSZACIVSA-N 338.436 3.515 0 50 EHAA CC[C@@H](NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C)C1CCCC1 456659916 MKMNGCWIMVCUKY-OAHLLOKOSA-N 345.409 3.690 0 50 EHAA Cc1ccc(Cl)cc1N1CCN(Cc2cccc(C(=O)O)c2)CC1 263446884 GCCMQRNNKWKHBN-UHFFFAOYSA-N 344.842 3.669 0 50 EHAA Cc1nnsc1CNC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 895027969 QNYYXRLOEIGGAF-HNNXBMFYSA-N 344.484 3.572 0 50 EHAA COc1cc2c(cc1OC)[C@H](c1ccccc1OC(C)C)CC(=O)N2 107514 OPNUTKQTJYOSPK-AWEZNQCLSA-N 341.407 3.965 0 50 EHAA Fc1cc(-c2cn(CC3=NO[C@H]4CCCC[C@@H]34)nn2)ccc1Cl 2325853346 MFLFZRXNBRDOST-ZBEGNZNMSA-N 334.782 3.683 0 50 EHAA CC(C)CC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(C(F)(F)F)C1 81529 AOWMFWYYRBEUTR-AWEZNQCLSA-N 348.752 3.839 0 50 EHAA Cc1n(CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2ccccc2[n+]1C 193848 NWAPEPJZJARYHX-OXFYSEKESA-N 343.491 3.778 0 50 EHAA COc1ccc(NC(=O)c2ccccc2C(F)(F)F)c(OC)c1 379267 RMMCXHPJTQUUGI-UHFFFAOYSA-N 325.286 3.975 0 50 EHAA COc1cc(/C=C/C(=O)Nc2ccc(F)cc2F)cc(OC)c1OC 860424 VTZAANBIXFFSOA-QPJJXVBHSA-N 349.333 3.643 0 50 EHAA CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(OC)ccc1OC 6701677 INNGUZLCZNXMOC-KRWDZBQOSA-N 329.396 3.808 0 50 EHAA Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)cc1 9341264 WJYRHDLWQUYJGK-UHFFFAOYSA-N 340.398 3.625 0 50 EHAA CC1CCN(C[C@H](O)COc2ccccc2-c2ccccc2)CC1 12420049 PMFOZZRBIOJXCT-IBGZPJMESA-N 325.452 3.825 0 50 EHAA O=C(NCc1cccnc1)c1ccc2oc(-c3cccc(F)c3)nc2c1 12430988 FSUSXCDELIGLBB-UHFFFAOYSA-N 347.349 3.959 0 50 EHAA CCn1ccnc1CN1CCC[C@](CO)(CCCc2ccccc2)C1 12443562 PJYMORMJBDQKLB-OAQYLSRUSA-N 341.499 3.500 0 50 EHAA C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 12846196 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CCCn1ccnc1[C@H]1c2nc[nH]c2CCN1Cc1sccc1C 72428549 UWQFZQSWLLCDPU-QGZVFWFLSA-N 341.484 3.534 0 50 EHAA O[C@@H](Cc1ccccc1)C1CCN(c2nc(-c3ccccc3)no2)CC1 77519376 CYAFSVGJRABZBP-IBGZPJMESA-N 349.434 3.557 0 50 EHAA CC(C)n1ccnc1C1CCN(C(=O)CCc2ccccc2F)CC1 91289256 NRTANUPDBASJPO-UHFFFAOYSA-N 343.446 3.942 0 50 EHAA CC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2F)nc1C 91563480 AFUGREJBEPBFEJ-UHFFFAOYSA-N 327.281 3.758 0 50 EHAA COc1ccc2c(C)c(C(=O)N3CCC[C@]4(CCCO4)CC3)oc2c1 97730097 CEJUIDXIXXSXHZ-FQEVSTJZSA-N 343.423 3.925 0 50 EHAA C[C@H](c1cccc(-c2ncccc2C(=O)N2CCCCC2)c1)N(C)C 97784721 SKQATNRMZCFNEU-MRXNPFEDSA-N 337.467 3.997 0 50 EHAA O=C(NCCn1ccnc1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 117467313 PWLLZCLIHYMAPO-QGZVFWFLSA-N 346.862 3.863 0 50 EHAA CC(C)c1cc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)no1 123247701 NEDPESVUNPOVNB-MRXNPFEDSA-N 341.455 3.535 0 50 EHAA CC(=O)Nc1ccc2c(CSc3ccoc3C)cc(=O)oc2c1 131279276 PLPLRBYFUPHACR-UHFFFAOYSA-N 329.377 3.945 0 50 EHAA CN(Cc1ccco1)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 155217143 NEWZMEKSUCAFEK-SFHVURJKSA-N 339.370 3.745 0 50 EHAA COc1ccc(Cl)c(NC(=O)c2ccc(C(=O)NC(C)C)cc2)c1 162778986 UPHMGTPCIXVJCF-UHFFFAOYSA-N 346.814 3.739 0 50 EHAA CC(=O)c1cc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)ccc1C 193129779 BYQQYIPPADRHNA-SFHVURJKSA-N 341.407 3.612 0 50 EHAA Cc1n[nH]nc1C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 194327945 OFAHUUKJAJJZBY-MRXNPFEDSA-N 332.835 3.818 0 50 EHAA O=C(Nc1ccccc1OC(F)(F)F)c1n[nH]nc1-c1ccccc1 206651309 XKUBERIWZXOCOU-UHFFFAOYSA-N 348.284 3.623 0 50 EHAA Cc1ccc(C(F)(F)F)cc1C(=O)N(C)CCC1(O)CCCC1 218936490 RDJQVZDHKUOMSN-UHFFFAOYSA-N 329.362 3.781 0 50 EHAA Cn1nc(C(=O)N2CCCC[C@H]2CCc2ccccn2)c2ccccc21 219535620 MIZWDPNOARLEPT-KRWDZBQOSA-N 348.450 3.596 0 50 EHAA COc1ccc2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2c1 231427501 INQAHSAAPHDKGZ-KBPBESRZSA-N 333.453 3.515 0 50 EHAA O=C(O)CC[C@@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 237947540 FMRHZPNSVKHMPY-HNNXBMFYSA-N 337.847 3.766 0 50 EHAA CN[C@H](C)Cc1noc(-c2cc(-c3ccc(OC)cc3)c(C)s2)n1 261613681 BCKVQNDUZLXVBF-LLVKDONJSA-N 343.452 3.933 0 50 EHAA C/C(=C\C(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 269976520 XIVANGHVLGVWFW-KNFPLBEISA-N 339.357 3.696 0 50 EHAA Cc1ccc(Cl)cc1N1CC[C@@H](CNc2nnc(C3CC3)o2)C1 278497383 WWEYFQHSHOLPSJ-LBPRGKRZSA-N 332.835 3.847 0 50 EHAA O=C(CC(F)(F)F)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 279996493 PDRDXJWGBWRAEY-OIBJUYFYSA-N 340.114 3.513 0 50 EHAA CCOc1ccc(C(=O)N(C)C[C@H]2CCN(C)C2(C)C)cc1Cl 299793678 JZWICGVSOOKJQQ-CQSZACIVSA-N 338.879 3.541 0 50 EHAA O=C(c1c(Cl)cncc1Cl)N1CC[C@@]2(C1)OCc1ccccc12 347023753 NYLMRIYORKCMKJ-KRWDZBQOSA-N 349.217 3.660 0 50 EHAA O=C(NCc1c(F)cccc1Cl)c1cnnc(-c2ccccc2)c1 352176364 OBMXNLFJMQJSRM-UHFFFAOYSA-N 341.773 3.866 0 50 EHAA COCCOc1c(Cl)cccc1NC(=O)[C@H]1Cc2ccccc21 353773716 ANFBVQQBCPWVCZ-AWEZNQCLSA-N 331.799 3.644 0 50 EHAA O=C(c1cccc2cc[nH]c12)N1CCc2c(cnn2-c2ccccc2)C1 361545935 PPQUSEBREOHQLW-UHFFFAOYSA-N 342.402 3.552 0 50 EHAA CC(=O)c1cc(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C)c(C)nc1C 362404517 SPYRFSCXEIXPOL-FKIZINRSSA-N 336.435 3.954 0 50 EHAA CC(C)(CO)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 452434236 VCBAYSIVMVOURZ-NWDGAFQWSA-N 330.255 3.622 0 50 EHAA CCC[C@H](NC(=O)N1CCC(c2ncon2)CC1)c1cccs1 584891261 GSJREAZCMWZVBX-ZDUSSCGKSA-N 334.445 3.562 0 50 EHAA CCC[C@@H]1NC(=O)N(c2ccc(C)c(Oc3cc(C)ccn3)c2)C1=O 777656328 GMHLZUJBWLRJDW-HNNXBMFYSA-N 339.395 3.716 0 50 EHAA Cc1cccc(C)c1N[C@@H](C)C(=O)NCCCCN1CCCCCC1 820631922 FGBYYVYXWVWHDK-IBGZPJMESA-N 345.531 3.876 0 50 EHAA CC(C)Cc1ncc(C(=O)Nc2cn(C)nc2-c2ccco2)s1 827239027 GJQMQQNSYAZUBV-UHFFFAOYSA-N 330.413 3.587 0 50 EHAA O=C(OCc1cncn1Cc1ccccc1)[C@@H]1CC12CCSCC2 853136031 RGSOIRIRIMBRHZ-KRWDZBQOSA-N 342.464 3.508 0 50 EHAA Cc1ccncc1[C@@H]1CCN(C(=O)c2ccc(-n3cccn3)c(C)c2)C1 886093356 CRSMCSFFCNMUAB-GOSISDBHSA-N 346.434 3.514 0 50 EHAA CC(C)n1cnnc1[C@H]1CCCN(c2ccc(-c3ccncc3)cn2)C1 892585624 WNQXCDUWMPOIPP-SFHVURJKSA-N 348.454 3.700 0 50 EHAA CN1CCC(c2nnc3sc(-c4ccc5ccccc5c4)nn23)CC1 951727003 UHENXFBRARHEGW-UHFFFAOYSA-N 349.463 3.815 0 50 EHAA CC(C)c1cc(CNC(=O)Cc2csc(-c3ccccc3)n2)no1 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Cc1ncc(-c2cc(C(=O)N3CCCC3)c3ccc(C)c(C)c3n2)cn1 63856414 IOPNTKWCSMMHGK-UHFFFAOYSA-N 346.434 3.853 0 50 EHAA CCN(C(=O)c1cccc(S(=O)(=O)C(C)C)c1)c1ccccc1C 253419763 CIDQCBNQKLSNNY-UHFFFAOYSA-N 345.464 3.844 0 50 EHAA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1sc(C)nc1C 328631887 RNPZEBNDTXEGLP-LBPRGKRZSA-N 335.498 3.717 0 50 EHAA COc1ccc(Cc2cnc(NC(=O)/C=C/c3ccco3)s2)cc1 180580 IPQXSTHOVUCKLA-CMDGGOBGSA-N 340.404 3.987 0 50 EHAA O=C(Nc1cccc(CC(F)(F)F)c1)N[C@@H]1CCC[C@H]2OCC[C@@H]12 230101920 NYYJUHNPTIFJHO-RRFJBIMHSA-N 342.361 3.871 0 50 EHAA O=C(c1ccc2ccccc2c1)N1N=C(C2CC2)C[C@@]1(O)C(F)(F)F 6345412 IKZQMPHDJRAZSS-QGZVFWFLSA-N 348.324 3.703 0 50 EHAA C[C@H](Cc1ccncc1)Nc1cc(-c2ccc(F)cc2)nc2ccnn12 72477752 UMSACLZZAFQACQ-CQSZACIVSA-N 347.397 3.974 0 50 EHAA CC(C)(C)OC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O 39959771 BFBAJLQTONSFEB-MRXNPFEDSA-N 329.396 3.608 0 50 EHAA Cc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCC2)c(C)c1 72437552 XBDMGWDDWXMOPE-UHFFFAOYSA-N 336.435 3.721 0 50 EHAA Cc1nc(CC(=O)N2CCC[C@H]2c2nc3c(C)cccc3[nH]2)cs1 72424795 CMQMYGBJPWDQDE-HNNXBMFYSA-N 340.452 3.542 0 50 EHAA O=C(CCc1ccc(OC(F)F)cc1)Nc1nc2ccc(F)cc2[nH]1 488901210 LTERRJXVIGYTHC-UHFFFAOYSA-N 349.312 3.875 0 50 EHAA Cc1c(Cl)cc(C(=O)N2CCC[C@@H](N(C)C)CC2)cc1Cl 72135218 QEAXUWKVQACJCO-CYBMUJFWSA-N 329.271 3.858 0 50 EHAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 77377958 CZDOBSBOVVFTMV-GOSISDBHSA-N 341.476 3.731 0 50 EHAA Oc1cccc([C@@H]2CN(Cc3ccccc3Br)CCO2)c1 127649808 OORSKYQPEVUHHC-KRWDZBQOSA-N 348.240 3.728 0 50 EHAA Cc1ccc2nc([C@H]3CCCN3Cc3cccc(CCN)c3)[nH]c2c1 77505539 WKIAWRLTGQAZTG-HXUWFJFHSA-N 334.467 3.710 0 50 EHAA C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1ccnc2cc(Cl)ccc12 284453719 BVSHYUONDMYZFZ-SNRMKQJTSA-N 346.858 3.645 0 50 EHAA CCn1nccc1CN(C)C(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 18087577 XVGYWQPMAMATLE-LGMBCPCJSA-N 329.488 3.858 0 50 EHAA O=C(c1ccc(OC(F)F)cc1)N1CCCC[C@H]1CCn1cccn1 82097371 CNTHONVKUVCMID-HNNXBMFYSA-N 349.381 3.570 0 50 EHAA CC(C)n1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)cn1 82097675 YFNGRILEQCCSII-GOSISDBHSA-N 341.455 3.797 0 50 EHAA OCc1ccc(Cn2cc(-c3cccc(-c4ccco4)c3)nn2)cc1 91663572 KECHVBLUTZVTKZ-UHFFFAOYSA-N 331.375 3.746 0 50 EHAA COc1cnc(NC(=O)N2C[C@H](C)C[C@H]2c2cccc(F)c2)s1 331583875 SLSBJYAUZODFRB-MFKMUULPSA-N 335.404 3.906 0 50 EHAA C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253615028 SCPADBBISMMJAW-VMXORCFCSA-N 336.516 3.502 0 50 EHAA Cc1cc(CNC(=O)N[C@H]2CC[C@@H](CO)C2)ccc1-c1ccccc1 298256668 KXSKDJAUOUOXKN-MJGOQNOKSA-N 338.451 3.622 0 50 EHAA CC(C)c1csc(C(=O)N[C@@H](c2ccccc2)[C@H]2C[C@@H](O)C2)n1 253378358 CIVNDFKMEOEENN-LZWOXQAQSA-N 330.453 3.509 0 50 EHAA CCOc1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)cc1-n1cccc1 299802067 ZRCZJZQFCIUCLR-GASCZTMLSA-N 343.427 3.517 0 50 EHAA O=C(NCCc1cccs1)[C@H](c1ccc(F)cc1)N1CCCCC1 827647781 YKYTXEFDBKVSNM-SFHVURJKSA-N 346.471 3.773 0 50 EHAA CC[C@@H](NC(=O)[C@@H](N)CC(C)C)c1ccc(OC2CCCC2)cc1 170677676 SDVGMVDVKJFBGU-RBUKOAKNSA-N 332.488 3.949 0 50 EHAA COc1ccc(-c2csc(NC(=O)CC[C@H](C)N)n2)cc1Cl 193180342 VPQKGNOLMJGZHS-VIFPVBQESA-N 339.848 3.538 0 50 EHAA Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)CC1CCCCC1 193473122 HPTPZTQBCDTSHO-GFCCVEGCSA-N 344.484 3.997 0 50 EHAA O=C([C@H]1CSCCS1)N(Cc1ccsc1)c1cccnc1 193505661 BTSAPZQDMFLVQP-CQSZACIVSA-N 336.507 3.525 0 50 EHAA c1coc(-c2nc(CNC3CCN(c4nccs4)CC3)cs2)c1 195557413 CNGPJURHALLUFH-UHFFFAOYSA-N 346.481 3.618 0 50 EHAA CN(Cc1cc(-c2ccccc2)no1)C(=O)Cc1nc2ccccc2o1 1506395852 AHTQAOAJJKQKKA-UHFFFAOYSA-N 347.374 3.684 0 50 EHAA Cc1ccc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)c(C)n1 1529125550 PCXCLMPIGDAXDQ-VQTJNVASSA-N 336.435 3.691 0 50 EHAA CNC(=O)c1cccc(C)c1Nc1nc(Cl)ncc1C(F)(F)F 117922932 JSBNSMPWVFOKDS-UHFFFAOYSA-N 344.724 3.560 0 50 EHAA O=C(c1cc2c(s1)CCCC2)N1CCN(c2ccc(F)cc2)CC1 5094287 OJAJBCPANLCHEJ-UHFFFAOYSA-N 344.455 3.728 0 50 EHAA COc1ccc(CN[C@H]2CCCc3ccccc32)c(OC)c1OC 5720367 UQWIKDMJBQJPQA-KRWDZBQOSA-N 327.424 3.880 0 50 EHAA Cc1cc(C)n(C[C@@H](C)NC(=O)c2oc3c(F)cccc3c2C)n1 12711265 PSEYBPVZRFZPRX-LLVKDONJSA-N 329.375 3.512 0 50 EHAA Cn1cncc1C=C(Cl)c1nc(O)c2c3c(sc2n1)CCCC3 1857529870 BVQLEKKNDXUTML-UHFFFAOYSA-N 346.843 3.746 0 50 EHAA O=C(N[C@H]1CCCOc2c(Cl)cccc21)[C@@H]1CCc2cccnc21 333480693 PFOTXJDSOYBQAQ-ZBFHGGJFSA-N 342.826 3.795 0 50 EHAA Cn1cc(CN2CCC(c3noc4cc(F)ccc34)CC2)c(Cl)n1 857049179 SFAXGIOFRURGNO-UHFFFAOYSA-N 348.809 3.733 0 50 EHAA CO[C@@H]1C[C@@H](O)CN(Cc2csc(-c3ccc(C(C)C)cc3)n2)C1 1875353631 AHVLKBVNPUQYRY-QZTJIDSGSA-N 346.496 3.515 0 50 EHAA Cc1ccc(C)c(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)c1 886552504 GQZAFKFBVNIHPL-UHFFFAOYSA-N 333.391 3.593 0 50 EHAA COc1ccccc1-c1[nH]nc(NC(=O)C2CC3(C2)CC3(F)F)c1C 889441650 ZURZOXRCXFFGCB-UHFFFAOYSA-N 347.365 3.768 0 50 EHAA O=c1cc(CN2Cc3ccccc3C3(CCC3)C2)c2ccc(O)cc2o1 1322060606 HXAMUHKMGGXOEU-UHFFFAOYSA-N 347.414 3.936 0 50 EHAA c1csc(-c2nc(CN[C@H]3CCc4ccccc4OC3)c[nH]2)c1 2325703129 BRUQIFJJGULQJO-AWEZNQCLSA-N 325.437 3.622 0 50 EHAA O=S(=O)(NCc1cc(Cl)c(Cl)cc1Cl)c1ccoc1 2325719444 VSMXHZNQOYTCEF-UHFFFAOYSA-N 340.615 3.718 0 50 EHAA COc1cc(CNc2cc(C)nc3cc(O)ccc23)cc(OC)c1O 2325852862 WNHJHSSBSFUHSS-UHFFFAOYSA-N 340.379 3.584 0 50 EHAA Cc1cnn(-c2ccncc2NC(=O)[C@@H]2C[C@H]2c2ccccc2C)c1 123716300 ZKXVSSNIBRWKRZ-DLBZAZTESA-N 332.407 3.626 0 50 EHAA Cc1ccccc1C(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 309830 FJCFJENXLPWJAM-UHFFFAOYSA-N 342.483 3.686 0 50 EHAA CCc1ccc(CNc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 505547 MBFFIPLJCLYGOR-UHFFFAOYSA-N 337.467 3.530 0 50 EHAA Cc1cc(C)c(S(=O)(=O)NCCSC2CCCCC2)c(C)c1 2843300 XKQGRSOQLBIZGG-UHFFFAOYSA-N 341.542 3.956 0 50 EHAA CCc1ccc(-n2nnc(C(=O)Nc3ccccc3CC)c2C)cc1 8021683 AHYXJLDIYWEVIL-UHFFFAOYSA-N 334.423 3.953 0 50 EHAA COc1cc(Cl)cc(C[C@@H]2C(=O)N(C)c3ccccc32)c1OC 101016088 FWLCELYQPYJMKL-AWEZNQCLSA-N 331.799 3.660 0 50 EHAA C/C=C/c1ccc(OCCCCN2C[C@@H](C)O[C@H](C)C2)c(OC)c1 20168382 MHZQKMXGLYPPHD-QQQVMXRDSA-N 333.472 3.997 0 50 EHAA Cc1nc(-c2c(O)cccc2O)n(-c2ccc(C(F)(F)F)cc2)n1 65375654 YXKLOWFOFUHGBB-UHFFFAOYSA-N 335.285 3.673 0 50 EHAA O=C(CCc1cccnc1)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 65436172 WZXVBVKIZGPNJL-QFIPXVFZSA-N 348.446 3.871 0 50 EHAA CCc1onc(C)c1NC(=O)N[C@@H](c1ccccc1)c1nccs1 119126828 NFGICKYPYXJUOE-HNNXBMFYSA-N 342.424 3.913 0 50 EHAA O=C(O)[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 151342 ZPSCGBCFUMEHEO-ZDUSSCGKSA-N 347.296 3.886 0 50 EHAA CCCc1nc(CSc2nnc(-c3cccc(Cl)c3)n2C)no1 125011405 VHVYZYUTUJVGKA-UHFFFAOYSA-N 349.847 3.763 0 50 EHAA COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2cccs2)on1 2802473 KETVWKBVWGCCNO-UHFFFAOYSA-N 348.405 3.812 0 50 EHAA CC[C@@H]1CN(Cc2cccc3nccnc23)Cc2cc(OC)ccc2O1 12049107 NZUJGDKYJDYYPG-QGZVFWFLSA-N 349.434 3.812 0 50 EHAA C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1cccs1 7308893 AUKHXWQYRHLBKZ-SECBINFHSA-N 346.271 3.550 0 50 EHAA CC(=O)Nc1ccc2nc(CN3CCC[C@H]3c3ccccn3)ccc2c1 215752411 KSOWXYYGIVLFCR-NRFANRHFSA-N 346.434 3.925 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)NCCCNc3cccnc3)c2c1 77486954 QEWSWLBGODKPGM-UHFFFAOYSA-N 348.450 3.733 0 50 EHAA Fc1cc([C@@H]2CCCN2Cc2cncnc2)ccc1Br 253432741 NINGISHZFFNFQR-HNNXBMFYSA-N 336.208 3.715 0 50 EHAA Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 253604149 VEQLHRZKWNQFTM-RRFJBIMHSA-N 343.393 3.551 0 50 EHAA Cc1cc(CC(=O)N2C[C@@H](c3ccccc3Cl)OCC2(C)C)no1 172135590 ROVVUWHMUFUHBY-INIZCTEOSA-N 348.830 3.558 0 50 EHAA Cc1noc(C)c1-c1csc(=N[C@@H]2CCOc3ccccc32)[nH]1 368416869 NKAPKHLMISWHCD-CYBMUJFWSA-N 327.409 3.773 0 50 EHAA COc1cc(OC)c(NC(=O)N[C@@H](C)c2cccnc2)cc1Cl 13331927 NVVBBLAPMJNJPY-JTQLQIEISA-N 335.791 3.635 0 50 EHAA C[C@@H]1CC[C@H](N(CCO)Cc2ccc(OCc3ccccn3)cc2)C1 240551707 GVMGBYIZLTYKPN-XLIONFOSSA-N 340.467 3.644 0 50 EHAA Cc1cc2nnc(SCc3cccc4c3OC(C)(C)C4)n2c(C)n1 241775910 RQCLWNKLKBDLRV-UHFFFAOYSA-N 340.452 3.747 0 50 EHAA CSc1ccccc1C(=O)N1CCCC[C@H]1CCn1ccnc1C 82155833 CYRCRNVBGXEFPF-INIZCTEOSA-N 343.496 3.998 0 50 EHAA CN1CCCCC[C@@H]1C(=O)NCCSCc1cccc(Cl)c1 95367727 OBAMXGCAQOKKBL-MRXNPFEDSA-N 340.920 3.564 0 50 EHAA COc1cccc(C2CCN(C(=O)CSc3ccncc3)CC2)c1 299526288 XWONGFQSDSGLQK-UHFFFAOYSA-N 342.464 3.589 0 50 EHAA O=C(O)C1CCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)CC1 299753342 XWZYTMPUGDKYNM-UHFFFAOYSA-N 343.354 3.555 0 50 EHAA CN(Cc1ccc2nonc2c1)Cc1cc(CN2CCCC2)cs1 823719854 REFYMJQLLXZAST-UHFFFAOYSA-N 342.468 3.512 0 50 EHAA CCc1nccn1CCCNCc1nc2ccccc2n1C(C)C 952980570 XFJXXATUTQLRDM-UHFFFAOYSA-N 325.460 3.556 0 50 EHAA CCn1ccnc1-c1cccc(NC(=O)[C@H](C)c2c(C)n[nH]c2C)c1 170594283 JORRXUQZMCOIQK-GFCCVEGCSA-N 337.427 3.652 0 50 EHAA COc1ccc2c(c1)CN(C(=O)N[C@H]1CCCc3c(F)cccc31)C2 654576192 DNUNUKNLOYYZKE-IBGZPJMESA-N 340.398 3.937 0 50 EHAA Cc1ncsc1-c1ccc(CNc2c(C)c(C)nn2CCO)cc1 657414492 PVZSGCXKSDJMNJ-UHFFFAOYSA-N 342.468 3.536 0 50 EHAA CC1=C(CCN2C[C@H](Cc3ccccn3)[C@@H](O)C2)C(C)(C)CCC1 1616083236 NEHWLQGPLVXFRY-PXNSSMCTSA-N 328.500 3.834 0 50 EHAA CN(Cc1cnn(-c2ccccc2)c1)[C@@H]1CCN(c2ccccc2)C1 1506399086 AIDUWSAIMMQLCY-OAQYLSRUSA-N 332.451 3.583 0 50 EHAA Cc1nn(C)c(C)c1CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C 208474879 WHRAKESEDQDESW-MSOLQXFVSA-N 325.456 3.578 0 50 EHAA CCC[C@H]1CN(Cc2cnc(C3CCCCC3)nc2)C[C@@H]1N(C)C 216391794 JFMUBQUTZVMQHY-OALUTQOASA-N 330.520 3.686 0 50 EHAA CC[C@@H](C)OCC(=O)Nc1c(O)cc(Br)cc1Cl 408518291 ZCWWKNBVROVHEG-SSDOTTSWSA-N 336.613 3.562 0 50 EHAA Cc1ccccc1CSCCCNc1ncc(F)c(N(C)C)n1 1772701304 LERSQSSKIWTTRB-UHFFFAOYSA-N 334.464 3.726 0 50 EHAA COc1ccc(CCN(CC2CCN(C)CC2)CC(C)(C)C)cc1 11769892 JVAWBOSFRVDWIB-UHFFFAOYSA-N 332.532 3.928 0 50 EHAA Cc1ccccc1CN1CCC[C@](CO)(Cc2ccc(F)cc2)C1 12439814 GPISMHOZYOQRTE-NRFANRHFSA-N 327.443 3.951 0 50 EHAA O=c1c2ccccc2nc(-c2ccccc2)n1OCCc1ccccc1 15769356 ROMDMSLGOCBOFU-UHFFFAOYSA-N 342.398 3.735 0 50 EHAA S=C(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 19842007 MFCCZIQFWPIGRU-UHFFFAOYSA-N 330.884 3.833 0 50 EHAA O=c1c2ccccc2nc(/C=C/c2cccnc2)n1-c1ccc(O)cc1 4329473 HCCLZIWQMPIBIC-KPKJPENVSA-N 341.370 3.657 0 50 EHAA CC(C)[C@H](CCO)NCc1cn(C2CCCC2)nc1-c1ccccn1 459428809 WKEAWGWHFZYUNS-SFHVURJKSA-N 342.487 3.557 0 50 EHAA c1ccc2c([C@@H]3CCN(Cc4cnc5n4CCOC5)C3)cccc2c1 2325798652 MQZMSECZTMZFJZ-QGZVFWFLSA-N 333.435 3.556 0 50 EHAA CCC(=O)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1 341996 OKJOQJJOXALQOR-UHFFFAOYSA-N 325.393 3.718 0 50 EHAA CCOC(=O)c1c(N)sc(NC(=O)c2ccc(C)cc2C)c1C 355430 XJCAHXJIONVAIA-UHFFFAOYSA-N 332.425 3.685 0 50 EHAA O=C(CCCC(=O)n1cnc2ccccc21)n1cnc2ccccc21 476931 KOCQAFGVQOMPLR-UHFFFAOYSA-N 332.363 3.537 0 50 EHAA O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 615497 IUOCJKTYUVRXQV-LLVKDONJSA-N 349.217 3.985 0 50 EHAA O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)[C@@H]1CCCO1 4750334 DYLJWLGNDZHBLM-RZYZSWTKSA-N 332.469 3.728 0 50 EHAA CC(=O)N[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 4993103 ITLFGMRIBDZSLH-MRXNPFEDSA-N 349.217 3.717 0 50 EHAA Cc1ccc(-c2csc(NC(=O)CSc3ncccn3)n2)cc1 6700262 VQVYRPJJQOHUJW-UHFFFAOYSA-N 342.449 3.639 0 50 EHAA CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C32CC2)c1 102669102 BCOXGFMTAINHFQ-XJKCOSOUSA-N 344.842 3.631 0 50 EHAA O[C@H](c1ccc(F)cc1)C1CCN(CC2Cc3ccccc3C2)CC1 225638644 USSXGFOVFLPNGE-JOCHJYFZSA-N 339.454 3.986 0 50 EHAA 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Cc1c(F)cccc1NC(=O)CNC(C)(C)Cc1ccc(F)cc1 65528154 IIYLWLAFMRRKQO-UHFFFAOYSA-N 332.394 3.823 0 50 EHAA C[C@@]1(O)CCN(c2ncnc3ccsc23)C[C@@H]1Cc1ccccc1 67774224 ADWZLVRZGWZGTH-HNAYVOBHSA-N 339.464 3.511 0 50 EHAA Fc1cccc([C@@H]2CN(Cc3ccco3)[C@@H]3C4CCN(CC4)[C@H]23)c1F 71763360 ORUOHLQHBZSJAW-PWIZWCRZSA-N 344.405 3.620 0 50 EHAA COc1nc(C)cc(C)c1CNC(=O)c1cc(C)nc2c(C)cccc12 82138313 IQDDFZNZUQMGDD-UHFFFAOYSA-N 349.434 3.802 0 50 EHAA Cc1ccc(CN(C)C(=O)Cn2ccnc2-c2ccccc2)s1 95511317 ITIZRSGTNZNECP-UHFFFAOYSA-N 325.437 3.579 0 50 EHAA Cc1n[nH]c(C)c1CCC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 96153577 ZBJWVSWTXYNGNC-UHFFFAOYSA-N 336.439 3.632 0 50 EHAA O=C(NC1CCN(Cc2ccccc2)CC1)C1CCC(F)(F)CC1 121923228 QHFISFVSHWOBNJ-UHFFFAOYSA-N 336.426 3.593 0 50 EHAA CC1CCN(c2cccc(NC(=O)N3CC[C@]4(CCOC4)C3)c2)CC1 124501695 KCXOAOANLNSKPT-FQEVSTJZSA-N 343.471 3.567 0 50 EHAA CN(C(=O)c1ccncc1Br)c1cccc2ncccc12 128794822 WJAMCXQOELUOCZ-UHFFFAOYSA-N 342.196 3.669 0 50 EHAA Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cccc(C(N)=O)c2)cc1 133687152 BTAPNDUQQDTOJY-DNVCBOLYSA-N 336.435 3.707 0 50 EHAA O=[N+]([O-])c1ccc2nc(Br)cc(Br)c2c1 148202870 OQHTYRLFDROPPJ-UHFFFAOYSA-N 331.951 3.668 0 50 EHAA CCNc1cc(F)ccc1NC(=O)c1cc(-c2ccc(C)o2)n[nH]1 170594394 HZFWTSXQZSFQLE-UHFFFAOYSA-N 328.347 3.801 0 50 EHAA CC(C)c1cc(C(=O)Nc2ccccc2Cc2cccnc2)nn1C 170597721 ISSRJBNQYMGDFR-UHFFFAOYSA-N 334.423 3.782 0 50 EHAA CC(=O)c1ccc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)nc1 185846107 BLCAWNYNLGXBGN-INIZCTEOSA-N 334.778 3.655 0 50 EHAA Nc1nccc(C2CCN(Cc3ccc(-c4ccco4)cc3)CC2)n1 216091031 UWYDBJMZMIGJNU-UHFFFAOYSA-N 334.423 3.698 0 50 EHAA CCCOc1ccccc1C(=O)N1CCC(c2ccnc(C)n2)CC1 219584650 JBLQMUNFIKVIHP-UHFFFAOYSA-N 339.439 3.594 0 50 EHAA C[C@@H]1[C@@H](NC(=O)[C@H](C)N(C)Cc2ccc(F)c(F)c2)CCC[C@H]1C 229647479 DOOQABJOCWSGCN-COJSNBRMSA-N 338.442 3.726 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 237491386 CGOFZMUMEOHHOW-IRHXVLAXSA-N 341.282 3.683 0 50 EHAA CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)CCC(F)(F)F 241161330 JZWOWUSFVRSBTK-UHFFFAOYSA-N 328.334 3.575 0 50 EHAA CC[C@@H](NC(=O)c1ccccc1-c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 244795766 RNBDMIKIZDCNPE-SIXWZSSISA-N 327.399 3.772 0 50 EHAA Cc1ccc(NC(=O)CCN(C)Cc2cc(C3CC3)on2)cc1Cl 252500589 SYNNIJRRFFFJGE-UHFFFAOYSA-N 347.846 3.974 0 50 EHAA C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1csc(-c2ccncc2)n1 252537779 MHTCPONULSBMCD-ZBEGNZNMSA-N 337.404 3.708 0 50 EHAA CCN(C(=O)C(=O)N[C@H](C)c1ccccc1)[C@H](C)c1ccc(F)cc1 253410574 ZPPTUMROKZNKAH-HUUCEWRRSA-N 342.414 3.613 0 50 EHAA C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cccc(C(=O)O)n1 262197696 UGIFIUSUBDGQRR-RYUDHWBXSA-N 346.814 3.697 0 50 EHAA CC(C)c1nc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)cs1 262490197 LXLANFMMCCDJHA-UHFFFAOYSA-N 332.425 3.881 0 50 EHAA CN(Cc1ccon1)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 268937568 RXPLMRIEAUHPLE-INIZCTEOSA-N 341.411 3.653 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C 273091832 FJMQWSSACFVKPR-OWQGQXMQSA-N 325.456 3.610 0 50 EHAA Cc1cc2c(NC(=O)N3CCC[C@H]3c3cc(C)no3)cccc2nn1 299757093 MPRWFHFJAKUVBQ-INIZCTEOSA-N 337.383 3.604 0 50 EHAA COc1ccc(F)cc1-c1cccc(C(=O)NC[C@H]2CCCOC2)c1 299765960 YJDCIGJIIISBOX-CQSZACIVSA-N 343.398 3.658 0 50 EHAA CCc1nc(C)c(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)o1 299771582 RDLBNEWRCGKYPF-CYBMUJFWSA-N 339.395 3.706 0 50 EHAA N=C(O)c1cnn2c1C[C@H](CNC1CCC3(CCCCC3)CC1)CC2 328869453 CWYBCZZFPRFIMY-OAHLLOKOSA-N 344.503 3.812 0 50 EHAA CCOc1ccc(-c2cn(CC(=O)c3ccc(C)cc3)c(=N)n2C)cc1 334157537 IGGCBQQRMBDUGM-UHFFFAOYSA-N 349.434 3.563 0 50 EHAA Cn1ccc(/C=C/c2nc(-c3ccc(Oc4ncccn4)cc3)no2)c1 345849811 QZGWKNNLAPPQOQ-FPYGCLRLSA-N 345.362 3.828 0 50 EHAA c1nc(N2CCC3(CC2)OCCc2ccsc23)c2ccsc2n1 351890568 VFVLKWVWFPGDBJ-UHFFFAOYSA-N 343.477 3.821 0 50 EHAA CCN(C(=O)c1cc2ccccc2c(Cl)n1)c1nccnc1C 408516998 JONXRZYEBYZSOU-UHFFFAOYSA-N 326.787 3.653 0 50 EHAA Cc1ccccc1[C@H](NC(=O)N1CCC(F)(F)CC1)c1ccncc1 426489605 JGNSPGWIKVFBET-QGZVFWFLSA-N 345.393 3.920 0 50 EHAA COCC[C@H]1CCCCN1C(=O)NCc1ccccc1C(F)(F)F 426667645 UJHVLUYOJGXDTR-CQSZACIVSA-N 344.377 3.806 0 50 EHAA O=C(Cc1ccc(O)c(F)c1)NC[C@H]1CCC[C@H](C(F)(F)F)C1 450072639 IUYGIDQHHLCQHO-RYUDHWBXSA-N 333.325 3.559 0 50 EHAA CC(C)[C@H]1C=CCN1C(=O)c1cccc(-c2cnn(CC3CC3)c2)c1 534660551 BRPWPGQGZUDHNC-HXUWFJFHSA-N 335.451 3.997 0 50 EHAA CC(C)OCc1cccc(-c2cccc([C@@H]3CC(=O)NC(=O)N3)c2)c1 649434452 MFJPKWDOTOMQSE-SFHVURJKSA-N 338.407 3.549 0 50 EHAA Cc1cccnc1C(=O)N[C@H]1CCOc2c1ccc(Cl)c2Cl 754475868 RIASQVSKRJEVFJ-LBPRGKRZSA-N 337.206 3.950 0 50 EHAA CCCc1cc(C(=O)Nc2ccccc2CN2CCCCC2)no1 823021520 AFUNNRUCMQSDAQ-UHFFFAOYSA-N 327.428 3.865 0 50 EHAA CCCn1cc(CN2CCC[C@@H](C(=O)c3cccs3)C2)c(C)n1 823031261 BSMXJZKOWACWQG-OAHLLOKOSA-N 331.485 3.758 0 50 EHAA C[C@@H](C(=O)NCc1ccc(C(F)(F)F)s1)[C@H](N)c1ccccc1 877308050 CAWJNKVWXFZWDB-YGRLFVJLSA-N 342.386 3.719 0 50 EHAA Oc1nc2cccc(CN3CC[C@@]4(CCc5ccccc5O4)C3)c2o1 894537951 LFPSRSOGXKPMHA-FQEVSTJZSA-N 336.391 3.503 0 50 EHAA O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)[C@H]1CCCOC1 1337536640 VLTTZAIMFXPKGZ-ZDUSSCGKSA-N 346.814 3.570 0 50 EHAA Cc1cccc2c(CN(C)[C@@H]3C[C@@H]4CC(=O)N(C)C[C@@H]4C3)cccc12 1704299108 MUTXZDUKWJHCGC-CEXWTWQISA-N 336.479 3.837 0 50 EHAA Cc1cc(CN2CCC([C@@H](CC(=O)O)c3ccccc3)CC2)ccn1 1875270517 CBDRZFFVKFRFLE-FQEVSTJZSA-N 338.451 3.861 0 50 EHAA O=C(O)c1csc([C@H]2CCCN(Cc3cccc4cc[nH]c34)C2)n1 1875283144 HQNSRPRUMINRCB-AWEZNQCLSA-N 341.436 3.702 0 50 EHAA O=C([C@@H](c1ccccc1)n1cnc2ccccc21)N1CC2CC(F)(C2)C1 1875302521 UIMBUMARCRYILI-QOSBUDKSSA-N 349.409 3.586 0 50 EHAA O=C(Cc1c[nH]c2cccnc12)Nc1cncc2c(Cl)cccc12 1875340945 AGYLDPLMVOXMPO-UHFFFAOYSA-N 336.782 3.946 0 50 EHAA Cc1ccc(OCCCC(=O)N[C@@H]2C[C@H]2c2cccnc2)c(Cl)c1 2325815495 PIQGYLNPLZSNMW-DOTOQJQBSA-N 344.842 3.875 0 50 EHAA CC(C)COCCOC(=O)c1ccncc1N[C@H]1CCC(C)(C)C1 2325840193 SWOKRWOJJCRBDZ-HNNXBMFYSA-N 334.460 3.902 0 50 EHAA COc1ccc(Nc2ncnc3c2cnn3Cc2ccc(C)cc2)cc1 521615 ILHBJVKKKDPCDD-UHFFFAOYSA-N 345.406 3.935 0 50 EHAA Cc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)cc1 534189 CBFAKVBYSPKEBR-AWEZNQCLSA-N 347.374 3.543 0 50 EHAA CCOc1ccc(NC(=S)NCc2ccc(OC)c(OC)c2)cc1 615904 LGLQFGNFMHZSBW-UHFFFAOYSA-N 346.452 3.589 0 50 EHAA CCCCC1=NN(C(=O)c2ccccc2Cl)[C@](O)(C(F)(F)F)C1 4163494 YZMGXENCDKXJTR-CQSZACIVSA-N 348.752 3.983 0 50 EHAA Cn1ncc2c(Nc3ccc(F)cc3)nc(NCc3ccccc3)nc21 4374913 OXUBYWDWRLBEPZ-UHFFFAOYSA-N 348.385 3.858 0 50 EHAA Cc1cccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)n1 4842818 AYBASENRVWMQBH-UHFFFAOYSA-N 343.496 3.810 0 50 EHAA CC(C)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccco1 6742031 HGECMLQJMPXTOQ-UHFFFAOYSA-N 342.424 3.850 0 50 EHAA CCCOc1ccc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 7007766 BZGNQLALWDMXIC-UHFFFAOYSA-N 345.395 3.754 0 50 EHAA O=C(c1csc(C2CCCCC2)n1)N1CCO[C@H](c2ccco2)C1 412180512 WHKMSZTUVRDFDD-INIZCTEOSA-N 346.452 3.998 0 50 EHAA O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2C12CC2 101478071 QMQPDCDNMPUVBK-UXOAXIEHSA-N 348.229 3.691 0 50 EHAA O=C(c1ccc[nH]1)N1CCc2[nH]nc(-c3cccc4ccccc34)c2C1 67650617 DNXVRXVASXUIIQ-UHFFFAOYSA-N 342.402 3.757 0 50 EHAA CC(=O)Nc1cccc(-c2nc(C(C)C)nn2-c2ccnc(C)c2)c1 65374737 LOOISKIIKYKLTM-UHFFFAOYSA-N 335.411 3.720 0 50 EHAA C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1ccc(Cl)cc1Cl 248268120 UJTNSTILXGVWSW-TVYUQYBPSA-N 342.222 3.838 0 50 EHAA Cc1cc(C)n([C@@H](C)CNCC(=O)Nc2c(C)cccc2C(C)C)n1 65386084 XSCPLNHAXXKMOF-KRWDZBQOSA-N 342.487 3.721 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)C2)c1 229444261 ITUDZXHYQRSWRE-RRFJBIMHSA-N 343.393 3.724 0 50 EHAA CCOc1ccccc1[C@@H]1CC(=O)Oc2c1c(=O)oc1ccccc21 1427236 IJQORKGNBOMBLV-AWEZNQCLSA-N 336.343 3.633 0 50 EHAA CCn1nccc1C(=O)N(Cc1csc(C)n1)c1ccc(F)cc1 120643416 GXFVMWULIFHJLX-UHFFFAOYSA-N 344.415 3.654 0 50 EHAA O=C(Nc1ccccc1F)c1ccn(COc2ccccc2Cl)n1 2788082 HPRJGVYMWQAZSB-UHFFFAOYSA-N 345.761 3.964 0 50 EHAA Oc1ccc(CC[C@H]2CCCCN2Cc2noc(C3CC3)n2)cc1 72154024 XMEDGPSKJBRUCB-MRXNPFEDSA-N 327.428 3.640 0 50 EHAA COC[C@H](c1ccccn1)N(C)C(=O)CC(C)(C)c1ccccc1 214999308 XVENMZCWUBGBOZ-GOSISDBHSA-N 326.440 3.595 0 50 EHAA COc1cc(F)c(-c2nccn2CC[C@H]2CCCCO2)cc1OC 71776868 STBYPLGPJLFYTI-CYBMUJFWSA-N 334.391 3.666 0 50 EHAA c1cc(CN2CCCC[C@H]2CN2CCOCC2)cc(-c2ccco2)c1 77471753 LCLHOUFZXLVLLS-FQEVSTJZSA-N 340.467 3.633 0 50 EHAA CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2)c1 219486507 IMSCWLGHHMCXSJ-AWEZNQCLSA-N 327.380 3.578 0 50 EHAA CCNC(=O)c1cc(NC(=O)c2ccc(C)s2)nc2ccccc12 152587046 AFIWBDQWOVINEK-UHFFFAOYSA-N 339.420 3.607 0 50 EHAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 72422970 USWDXYVTBGAUJL-CEXWTWQISA-N 349.478 3.750 0 50 EHAA O[C@@H](CCc1ccccc1)C1CCN(Cc2ccncc2Cl)CC1 215773272 INTDNNWBTSKXIU-FQEVSTJZSA-N 344.886 3.941 0 50 EHAA CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)c3ccccc32)C1(CC)CC 332750473 UDATYJRTUAHQSF-BHIYHBOVSA-N 343.467 3.847 0 50 EHAA CCC(C)(C)C(=O)N1CCC[C@@H](c2cc(N3CCCC3)nc(C)n2)C1 72409421 BFCPMTXIQBTLKH-MRXNPFEDSA-N 344.503 3.527 0 50 EHAA O=C1C[C@@H](c2ccc(F)cc2)c2ncn(-c3cccc(F)c3)c2N1 40287968 CTOFIMKBSVTESW-HNNXBMFYSA-N 325.318 3.625 0 50 EHAA CCCCN(C)C[C@H](C)NC1CCC2(CC1)C(=O)Nc1ccccc12 290259767 KMSYBANIBNSNMQ-BQJIDLTASA-N 343.515 3.529 0 50 EHAA CCc1csc(CC(=O)N(C)[C@H](CC)c2cccc(OC)c2)n1 291793471 PVVXKIOHXHIKPG-MRXNPFEDSA-N 332.469 3.866 0 50 EHAA Cc1ccc2cc(C(=O)Nc3ncccc3OC(F)F)ccc2n1 178954671 HYNVFBORKZYTTN-UHFFFAOYSA-N 329.306 3.792 0 50 EHAA Cc1ccc(F)c(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2)c1 426470762 AFTSYKNVTSLAKE-QGZVFWFLSA-N 326.415 3.577 0 50 EHAA Cc1cncnc1C1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 97514267 ZUKIPTGCLDCHFR-UHFFFAOYSA-N 337.467 3.878 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N(C)Cc1noc2c1CCCC2 91943507 KPMXHWOSUWAMOK-UHFFFAOYSA-N 333.457 3.714 0 50 EHAA FC(F)Oc1cccc(Cn2cc(-c3ccc(Cl)nc3)nn2)c1 95381224 PQAVEBSXQGOWSW-UHFFFAOYSA-N 336.729 3.643 0 50 EHAA Cc1nc2cc(NC(=O)N3CCC[C@@H](c4cc[nH]n4)C3)ccc2s1 95531129 SGQSYAXRJUAETQ-GFCCVEGCSA-N 341.440 3.739 0 50 EHAA C[C@H]1CN(Cc2ccccc2N[C@@H](C)c2ccccn2)C[C@@H](C)O1 179611125 DZEJNBNUJPUNMH-BBWFWOEESA-N 325.456 3.864 0 50 EHAA OCc1cccc(C[C@@H]2CCN(Cc3cc(F)cc(F)c3F)C2)c1 91915171 BDGATNSYLQUAEB-AWEZNQCLSA-N 335.369 3.661 0 50 EHAA CCc1nnc(CN[C@H](C)c2nc3ccccc3n2C(C)C)s1 162214367 AIGQJHMWKHEQSW-GFCCVEGCSA-N 329.473 3.882 0 50 EHAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2ccc3sccc3c2)C1 92036932 MKYXOGILQSVPIR-FQEVSTJZSA-N 337.444 3.943 0 50 EHAA Cc1c(Cl)cccc1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 952973781 BFIYFHUDZLNXAB-MRXNPFEDSA-N 344.842 3.865 0 50 EHAA C[C@@H]1SCCN(Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]1C 170631136 ILRITJSVRUFPDA-CABCVRRESA-N 327.497 3.687 0 50 EHAA Fc1ccc([C@H]2CCN(C3CCN(Cc4ccco4)CC3)C2)cc1 1506397294 LCAPZJSFWNGQPT-KRWDZBQOSA-N 328.431 3.873 0 50 EHAA COc1cc(CNCc2ccccc2Br)cc(OC)c1 4997091 GTJPIPJHOXRIFI-UHFFFAOYSA-N 336.229 3.756 0 50 EHAA Cc1ccc(N[C@H]2CCCN(C(=O)c3c(C)noc3C)C2)cc1C 11821648 BPUIEKPAOWERJI-KRWDZBQOSA-N 327.428 3.625 0 50 EHAA CN1CCC(CN(CCc2ccccc2)C(=O)C2CCCC2)CC1 12575669 NKXSSFTVACIALR-UHFFFAOYSA-N 328.500 3.590 0 50 EHAA CSC(C)(C)C[C@H](C)N1CCC(CCC(=O)NC2CC2)CC1 12763865 GVZYVPFTHBQUPB-AWEZNQCLSA-N 326.550 3.677 0 50 EHAA COc1cccc(OCc2nc(C(=O)N(C)C3CCCCC3)co2)c1 14973326 ARYDXJSINWUFHT-UHFFFAOYSA-N 344.411 3.667 0 50 EHAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)Cc1ccc2ccccc2c1 1857707172 HHELQEAZVDVOKR-WAOWUJCRSA-N 337.419 3.627 0 50 EHAA COc1ccc(Cl)cc1CNC1CCC(c2nc(C)no2)CC1 225463884 WCZFITYSTSWQLN-UHFFFAOYSA-N 335.835 3.856 0 50 EHAA CN(C(=O)CCc1cnn(C)c1)[C@@H]1CCCC[C@H]1c1ccccc1 416015697 UFCVJQCMYQCNIP-RBUKOAKNSA-N 325.456 3.538 0 50 EHAA Cc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)c(C)s1 237846573 YKNPZRWPNRFEPB-UHFFFAOYSA-N 343.448 3.624 0 50 EHAA CN(CC1CCOCC1)c1nncc(-c2ccc3ccccc3c2)n1 12597757 ZBOYTWHRRRNCPN-UHFFFAOYSA-N 334.423 3.555 0 50 EHAA CCn1cc(CN2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)c(C)n1 247996685 DCBPNIIUCQROIN-YADHBBJMSA-N 349.478 3.715 0 50 EHAA CC[C@]1(C(=O)O)CCCN(Cc2c[nH]nc2-c2cccc(Cl)c2)C1 904401976 VAJXJJRSKHFUCS-SFHVURJKSA-N 347.846 3.807 0 50 EHAA Cc1sccc1CN1CCC(c2nc(CC(=O)O)cs2)CC1 1875283038 CEUZBTYEEFHYTQ-UHFFFAOYSA-N 336.482 3.520 0 50 EHAA Cc1cnc(-c2noc([C@H](C)Oc3ccc(Cl)nc3)n2)c(C)c1 1875259470 JXBIBOCEIWRMDS-NSHDSACASA-N 330.775 3.937 0 50 EHAA Cc1ccccc1CO[C@@H](C)C(=O)NCc1ccc(-c2cc[nH]n2)cc1 1875338671 HCNBINHQJLQLRJ-INIZCTEOSA-N 349.434 3.607 0 50 EHAA C[C@H](OC(=O)c1cn(CC2CC2)nn1)c1ccc(C(C)(C)C)cc1 1875357726 ULGYKZUHYYTNKQ-ZDUSSCGKSA-N 327.428 3.904 0 50 EHAA CC[C@H](NC[C@H](c1ccco1)N1CCCC1)c1ccc(OC)cn1 888098569 LFSFPGHUKCTCSW-FUHWJXTLSA-N 329.444 3.561 0 50 EHAA COc1ccc(-c2noc([C@@H](Oc3ccccc3)C(C)(C)O)n2)cc1 895959508 XFCNYUZWSCYWGT-MRXNPFEDSA-N 340.379 3.636 0 50 EHAA Cc1ccc(CO)cc1NC(=O)c1cc(F)cc(-c2ccccn2)c1 2325821130 GXUIOQBMPJLAOR-UHFFFAOYSA-N 336.366 3.941 0 50 EHAA CC(=O)N(C)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 95175 ZHMRAKKIQJDVRH-UHFFFAOYSA-N 347.212 3.684 0 50 EHAA COc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 112385 KBFRBZOXPDHOEC-UHFFFAOYSA-N 345.830 3.703 0 50 EHAA O=C(CCc1ccccc1)Nc1ccc(C(=O)N2CCCCC2)cc1 466545 AXCSOIZRQITPQO-UHFFFAOYSA-N 336.435 3.884 0 50 EHAA COc1cc(C)c(CNCCc2ccc(OC)c(OC)c2)cc1C 2734092 MUIGNTQSTYIMMS-UHFFFAOYSA-N 329.440 3.662 0 50 EHAA biogenic O=S(=O)(NCCSc1ccccc1)c1ccc2ccccc2c1 2864386 XNFXJDGFQWRFPJ-UHFFFAOYSA-N 343.473 3.910 0 50 EHAA COc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1OC 2947536 DAUXOGNPUDMOJF-UHFFFAOYSA-N 331.437 3.534 0 50 EHAA O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc2c(c1)OCCO2 4750167 UYHJQVWPEHHCKN-UHFFFAOYSA-N 341.260 3.868 0 50 EHAA Cc1nnc([C@@H](C)N2CCC[C@@H](COc3ccccc3Cl)C2)o1 245728879 AMBUDGJKUAXCDO-TZMCWYRMSA-N 335.835 3.883 0 50 EHAA Cc1ccc([C@@H](CC(=O)NCCn2ccnc2)c2ccccc2)cc1 55090505 ADYPZJBFNSFNJQ-FQEVSTJZSA-N 333.435 3.530 0 50 EHAA c1cncc(CN2CCc3[nH]cnc3[C@H]2c2cc3ccccc3o2)c1 67803743 VPUATVMLOSFKGQ-HXUWFJFHSA-N 330.391 3.699 0 50 EHAA Cc1cc(NC(=O)CN[C@H](c2ccccn2)C(C)C)ccc1Cl 65372735 QOKMHTGAGGPPCA-SFHVURJKSA-N 331.847 3.969 0 50 EHAA C[C@@H]1CCCN1Cc1cccc(C(=O)Nc2nn(C)c3ccccc23)c1 67643640 VUXZGBIXGBWHPT-OAHLLOKOSA-N 348.450 3.810 0 50 EHAA CN(C)c1ncncc1NC(=O)c1ccc(-c2ccccc2Cl)o1 126453770 GRZQGKIGWIXVST-UHFFFAOYSA-N 342.786 3.708 0 50 EHAA CC1(C)CN(C(=O)Nc2ccc3c(c2)OCO3)CC[C@H]1C(F)(F)F 252479009 AZIIZBUCYCVZBC-CYBMUJFWSA-N 344.333 3.858 0 50 EHAA Cc1c(Cl)cccc1NC(=O)CSc1nnc(C(C)C)n1C 410468 PNDFIUSYSUDLCB-UHFFFAOYSA-N 338.864 3.631 0 50 EHAA Cc1cc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c(C)cn1 253417197 CRNYXVXPQUTRTI-MJGOQNOKSA-N 339.439 3.818 0 50 EHAA O=C(N[C@H](CCO)Cc1ccccc1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 253430713 XOJMHLAIXANECN-IYWMVGAKSA-N 329.484 3.703 0 50 EHAA CN(C)C[C@H](CNC(=O)C(C1CC1)C1CC1)c1ccc(Cl)cc1 253417508 KNUVJTVHZPKNHT-INIZCTEOSA-N 334.891 3.538 0 50 EHAA O=C(Cn1ncc2ccccc21)NC[C@@H]1CCCC[C@@H]1C(F)(F)F 482205101 DZUSDJGPYAUQNT-JSGCOSHPSA-N 339.361 3.521 0 50 EHAA Cn1cc(CC(=O)N2CCCC[C@@H]2c2nccs2)c2ccccc21 219473867 OHZPJMZFXPVXDU-QGZVFWFLSA-N 339.464 3.931 0 50 EHAA CSc1ccc(C(=O)[C@H]2CCCN(CCc3ccccn3)C2)cc1 71753959 ZWXXKQAJGUYROI-KRWDZBQOSA-N 340.492 3.941 0 50 EHAA Cc1noc(C(C)(C)NC(=O)c2oc3c(C)ccc(C)c3c2C)n1 284971663 RAGGVTRGPWIDLA-UHFFFAOYSA-N 327.384 3.715 0 50 EHAA COc1cccc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)nn2C)c1 82092143 RQMBQKAWJQKXNR-SFHVURJKSA-N 341.455 3.920 0 50 EHAA COc1ccnc(CN(C)C(=O)[C@]2(c3ccc(C)cc3)CC2(C)C)c1 426530392 JAYDBGIKNMDPCM-OAQYLSRUSA-N 338.451 3.725 0 50 EHAA Fc1ccccc1N1CC[C@@H](CNc2nccc(C(F)(F)F)n2)C1 95357691 LQAPGCHAZNEDSK-NSHDSACASA-N 340.324 3.573 0 50 EHAA Cc1cccc([C@@H](C(=O)N(C)CCSc2ccccc2)N(C)C)c1 91894517 DLYCJCBLYJKNAQ-IBGZPJMESA-N 342.508 3.848 0 50 EHAA C[C@]1(c2nc(CCc3ccccc3)nn2CC(F)(F)F)CCCO1 96152711 ZNAGYPYNXLNNSG-MRXNPFEDSA-N 339.361 3.651 0 50 EHAA O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cccc(O)n1 294583526 NZZXTHZBGAEYAM-JOYOIKCWSA-N 337.206 3.628 0 50 EHAA O=C(C[C@H]1CCc2ccccc21)NCc1ccccc1-n1ccnc1 91594452 HVTQMANDSLLSCS-QGZVFWFLSA-N 331.419 3.609 0 50 EHAA O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1cnn2c1CCCC2 182569898 WDVYPWFVZQJHJM-HNNXBMFYSA-N 345.830 3.517 0 50 EHAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@@H]1CC(=O)O[C@H]12 253596630 UHRRKAOLVBHHLU-ZCSSGPKHSA-N 330.468 3.852 0 50 EHAA CO[C@@H](C)CCNC(=O)c1cccc(-c2cccc(N(C)C)c2)c1 299771179 TWCYUTHSAUSWOX-HNNXBMFYSA-N 326.440 3.574 0 50 EHAA O=C(Nc1cccc(Cc2ccccc2)c1)N1CC(N2CCCCC2)C1 299791752 FMUPYIOXSGGFHX-UHFFFAOYSA-N 349.478 3.979 0 50 EHAA Cc1cc(Br)ccc1N(CC(=O)O)C(=O)OC(C)(C)C 725376345 UVTDRELRNBOOFN-UHFFFAOYSA-N 344.205 3.584 0 50 EHAA CCC1(NC(=O)N(C)Cc2c[nH]nc2-c2ccccc2)CCCC1 584893526 HXLJDRNQJJHZKX-UHFFFAOYSA-N 326.444 3.941 0 50 EHAA Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H](C)CCCO)cc1F 268633478 FLXOSTXXCWKTBS-CYBMUJFWSA-N 333.378 3.831 0 50 EHAA C[C@H]1CN(Cc2ccccc2)C[C@@H](c2noc([C@@H](C)C3CC3)n2)O1 665007540 XOGVVTKUCWPEGU-ZQIUZPCESA-N 327.428 3.545 0 50 EHAA C[C@@H]1C[C@H](N[C@H]2CCO[C@@H]2c2nccn2C)C[C@H](c2ccccc2)C1 275550806 NJPRDARFMGDSGD-ZDNSCYFHSA-N 339.483 3.812 0 50 EHAA C[C@H]1C(=O)N2CCC[C@H]2CN1Cc1cccc2c1oc1ccccc12 1772706482 CVASJBCADGOZGJ-HOCLYGCPSA-N 334.419 3.781 0 50 EHAA COc1cc(CN2CCC[C@H](c3[nH]ncc3CC(C)C)C2)ccc1O 12150889 BRQXFQASEVQZED-INIZCTEOSA-N 343.471 3.702 0 50 EHAA CC(C)N1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 12382513 PLEQSGVUGQDCPQ-UHFFFAOYSA-N 329.271 3.525 0 50 EHAA Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)C1=CCCC1)C2 14888163 VGVAOAWNNCJJJO-QGZVFWFLSA-N 334.419 3.587 0 50 EHAA COc1ccc(C(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)cc1F 14957475 QFXPHZXTYVFOSN-MRXNPFEDSA-N 348.462 3.751 0 50 EHAA O=C(N[C@H]1CCCC[C@H]1NC(=O)C1CCCCC1)C1CCCCC1 18137840 WKPHCRCYCCBBPA-HDICACEKSA-N 334.504 3.691 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H](C(C)C)O1 1857726297 KXPYNNZEGGIARH-VQIMIIECSA-N 347.455 3.514 0 50 EHAA CN(CCCn1ccnc1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 151247387 HIPYZNFUCIWLFT-UHFFFAOYSA-N 345.752 3.718 0 50 EHAA O=C(NCCC1=CCCCC1)c1cnn(-c2ccncc2)c1C(F)F 390835105 CRDVLVZMFYZURD-UHFFFAOYSA-N 346.381 3.825 0 50 EHAA COc1c(Cl)cccc1-c1noc(-c2noc3c2CCCC3)n1 904182180 XVMSTJWZGHRXDT-UHFFFAOYSA-N 331.759 3.932 0 50 EHAA OC[C@H]1CCC[C@@H](Nc2nc(-c3cccnc3)nc3ccccc23)C1 840386577 QFBFMDRHPIYBSR-GOEBONIOSA-N 334.423 3.655 0 50 EHAA O=C(c1cc(-c2ccccc2)ccn1)N1[C@H]2CC[C@H]1CC(CCO)C2 828695391 FLSSDQMGYCOHQB-OALUTQOASA-N 336.435 3.514 0 50 EHAA O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2C1(F)F 1875289165 VXOSGPSILPGWTI-DKTYCGPESA-N 345.311 3.859 0 50 EHAA C[C@H]1CN(c2ccc(NC(=O)C3CC(C4CCC4)C3)cc2)CCO1 1875294194 CWXCVGKMMHNHLA-OOHWJJMZSA-N 328.456 3.677 0 50 EHAA O=C(Nc1ncc(C[C@H]2CCOC2)s1)c1coc2c(F)cccc12 1875308506 JGLBUWVAELLMNG-SNVBAGLBSA-N 346.383 3.860 0 50 EHAA Cc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 79360 HYWCKSHSBGMFFR-UHFFFAOYSA-N 337.404 3.956 0 50 EHAA CC(=O)c1cc(CC(=O)Nc2n[nH]c3cc(Cl)ccc23)cs1 2100482254 LTMIGJNZDFAGQS-UHFFFAOYSA-N 333.800 3.662 0 50 EHAA CC(C)=CC(=O)O[C@H](Cn1ccnc1)c1cccc(Br)c1 2325879900 LQGCQHHBDCGKKA-OAHLLOKOSA-N 349.228 3.896 0 50 EHAA O=C(N[C@H](Nc1ccccc1)C(=O)c1cccs1)c1ccccc1 373897 PZUBKFCRMFRKQC-SFHVURJKSA-N 336.416 3.799 0 50 EHAA CCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccccc2Cl)c1 461189 FJVZENHOXYETCJ-UHFFFAOYSA-N 345.782 3.728 0 50 EHAA Cc1ccc2cc(-c3ocnc3CC3CC3)c(N3CCOCC3)nc2c1 2356157607 NWLDQOZWVCRJGT-UHFFFAOYSA-N 349.434 3.987 0 50 EHAA Cc1cc(C(=O)NCCCn2ccnc2)sc1-c1ccccc1 2872614 XMJAYOZOYVQYFU-UHFFFAOYSA-N 325.437 3.740 0 50 EHAA aggregator CCNC(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C1CCCCC1 6743784 YAJGTEFEKLEVIQ-UHFFFAOYSA-N 342.443 3.909 0 50 EHAA CCOc1ccc(CNC(=O)CSc2ccccc2)cc1OCC 6746936 AKSOPWOEBFGMQM-UHFFFAOYSA-N 345.464 3.893 0 50 EHAA Cc1cc(-c2csc(NC(=O)c3cncnc3C)n2)c(F)cc1F 225450395 WKKRTSOEZBDPBB-UHFFFAOYSA-N 346.362 3.747 0 50 EHAA O=C(Nc1ccc(-n2ccnn2)cc1)N1CCC(c2ccccc2)CC1 171163087 PPKNDTPMUNXZMQ-UHFFFAOYSA-N 347.422 3.679 0 50 EHAA COc1cccc(C[C@]2(CO)CCCN(CCc3ccccc3)C2)c1 20599912 WAFAMLPOHDLYLO-JOCHJYFZSA-N 339.479 3.555 0 50 EHAA Cc1cc(C)n(-c2cccc(-c3nccn3CCCn3ccnc3)c2)n1 67727251 XENVQROBJFVXDK-UHFFFAOYSA-N 346.438 3.639 0 50 EHAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)Cc4cccc(O)c4)C3)nc12 77437784 VZBPRPVPXJBSDW-MRXNPFEDSA-N 349.434 3.526 0 50 EHAA COc1cccc(C[C@@H]2CN(C/C(C)=C/c3ccco3)CCO2)c1 20539901 LIAADPIJDLLGKQ-MBNYPGIVSA-N 327.424 3.635 0 50 EHAA O=C(Nc1scnc1-c1ccccc1)[C@@H]1Cc2cccc(F)c2O1 253393788 WJBXUWWRTQIEML-AWEZNQCLSA-N 340.379 3.891 0 50 EHAA Cc1cccc(CC2(NC(=O)[C@H](C)n3ccnc3C(C)C)CC2)c1 65421203 LILREQZQMIQCPI-INIZCTEOSA-N 325.456 3.767 0 50 EHAA Cc1cnn(C[C@@H]2CCCN2C(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1 253599303 HKSTYPDAYWHVIN-SOLBZPMBSA-N 341.455 3.532 0 50 EHAA Cc1cc(C)n(CC2(CNC(=O)C[C@@H]3CCc4ccccc43)CC2)n1 215745930 ACEUUBYSTLKAIJ-SFHVURJKSA-N 337.467 3.516 0 50 EHAA CC(=O)N(C)c1ccc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)cc1 328588387 DNYKJIIEIWXWDD-BGVYSJOJSA-N 348.446 3.987 0 50 EHAA C[C@H](c1ccccc1)[C@H](O)CN1CC=C(c2c[nH]c3ncccc23)CC1 450509343 JVPIKYNPRCDDPX-IIBYNOLFSA-N 347.462 3.817 0 50 EHAA CC(C)c1nccc(CN(CCCO)Cc2ccc(Cl)cc2)n1 215314478 ACVRBCSAPASBSS-UHFFFAOYSA-N 333.863 3.638 0 50 EHAA CC[C@H](C(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3)n1cccn1 71771537 XEGDHEWDHOMFOH-LJQANCHMSA-N 336.439 3.511 0 50 EHAA C[C@H](C1CCCCC1)N(C)C(=O)Nc1cc([C@H]2CCCOC2)nn1C 331563438 GSAHSHRWEVUQFJ-ZBFHGGJFSA-N 348.491 3.747 0 50 EHAA Cc1cc2nc(C(C)C)cc(NCc3cncn3CC(C)C)n2n1 72406887 DPEHUIORYANDML-UHFFFAOYSA-N 326.448 3.626 0 50 EHAA CN1C[C@@]2(CCCN(Cc3ccc(-c4ccccc4)cc3)C2)OC1=O 72429832 QOYQJKUVFLEIOK-OAQYLSRUSA-N 336.435 3.770 0 50 EHAA CCCc1ncc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)s1 173079246 RQHQDICUTLNBMJ-CQSZACIVSA-N 332.444 3.940 0 50 EHAA CN(Cc1ccc2nonc2c1)Cc1ccc([C@H]2CCCO2)s1 216170993 VPSZXRJPCKWWCZ-MRXNPFEDSA-N 329.425 3.768 0 50 EHAA CN1C(=O)CC[C@@H](c2nc(-c3ccsc3)no2)[C@@H]1c1ccccc1 175436542 PSKBEEDJWFEDPN-ZBFHGGJFSA-N 339.420 3.875 0 50 EHAA CCC(=O)Nc1cccc(C(=O)NCCCn2ccc3ccccc32)c1 48321794 ZCODJZGLBKKZDZ-UHFFFAOYSA-N 349.434 3.810 0 50 EHAA Cc1nc(C)c(CN2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)s1 95380774 HTOMXWJXNJMALB-MRXNPFEDSA-N 330.453 3.838 0 50 EHAA COC(=O)c1cc(Br)ccc1NC(=O)C1CCCCC1 97756858 ZNSGOMTZGWJGAG-UHFFFAOYSA-N 340.217 3.755 0 50 EHAA Cc1nn(C)c(C)c1C[C@@H](C)Nc1cc(Cl)c2cccnc2n1 1336532387 QBADUALWJMLAGR-SNVBAGLBSA-N 329.835 3.677 0 50 EHAA O=C(Nc1cccc2nsnc12)c1ccccc1Br 104026 WGUJSUYNRPDZSG-UHFFFAOYSA-N 334.198 3.706 0 50 EHAA O=C(Nc1cccc2nsnc12)c1cccc(Br)c1 373734 LEJQNVYBUZHOAG-UHFFFAOYSA-N 334.198 3.706 0 50 EHAA O=C(NC1Cc2ccccc2C1)N[C@H]1CCCOc2cc(F)ccc21 186659951 XWCUJLFMPAETBX-SFHVURJKSA-N 340.398 3.506 0 50 EHAA O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)c1cccnc1C(F)(F)F 188420215 IVZMCKPYMRPRNT-AEGPPILISA-N 332.325 3.559 0 50 EHAA CC(C)Oc1cccc(C(=O)OC[C@@H]2CCC3(CCCCC3)O2)n1 786304553 BDPOBEIDFSQZII-HNNXBMFYSA-N 333.428 3.908 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C[C@@H]21 1704300483 WQPDQVBUKGEZRY-PLMTUMEDSA-N 340.467 3.798 0 50 EHAA O=C(c1ccc(Br)cn1)N1CC=C(c2cccs2)CC1 117723341 JVWPHTUJCWPCBX-UHFFFAOYSA-N 349.253 3.835 0 50 EHAA Cc1cc(=O)c(O)c(-c2nc(-c3ccco3)[nH]c2-c2ccccc2)o1 1776111368 QXPMHWYMEBYXHU-UHFFFAOYSA-N 334.331 3.971 0 50 EHAA C[C@@H]1C[C@H](C[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C(=O)O1 5014195 LBCZDKHOYGQIOO-BBBLOLIVSA-N 330.211 3.910 0 50 EHAA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccon2)C1 12386070 JMNSPQJZMLMLCZ-ZDUSSCGKSA-N 338.329 3.788 0 50 EHAA O=C(CSc1ncn[nH]1)Nc1ccc(/C=C/c2ccccc2)cc1 12858167 KYNXDAQVUQQOOG-VOTSOKGWSA-N 336.420 3.706 0 50 EHAA COc1cc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)ccc1O 14961540 CBMZNXOJNCRXJA-QGZVFWFLSA-N 330.403 3.616 0 50 EHAA CC(=O)NCc1ccc(N[C@@H](C)c2cc(Br)ccn2)cc1 1857530535 QXXBGXOYIRQUOJ-NSHDSACASA-N 348.244 3.653 0 50 EHAA CC[C@H](NC(=O)CCCC1CCOCC1)c1nc2ccccc2[nH]1 253394992 KOWATZMFUOIDMU-HNNXBMFYSA-N 329.444 3.727 0 50 EHAA C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCCCC[C@H]1c1ncon1 253431250 GNWXFINSTURHGQ-WFASDCNBSA-N 349.818 3.634 0 50 EHAA CCc1ccc([C@@H]2CCN(C(=O)[C@H]3C[C@H]4C[C@@H](O)C[C@H](C4)C3)C2)cc1 1875327517 XYHHXPRALWJNQF-ZVXZJYCBSA-N 341.495 3.752 0 50 EHAA Cc1cnccc1N1CCC(C(=O)Nc2cncc(C(C)C)c2)CC1 888240943 PVQXJNYJINQHFI-UHFFFAOYSA-N 338.455 3.764 0 50 EHAA C[C@H](NC(=O)Nc1ccc2n[nH]cc2c1)c1csc(C2CC2)n1 1775996432 DQENAOMRXMAKKC-VIFPVBQESA-N 327.413 3.780 0 50 EHAA CCOc1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12 32958 GLMGTSFLQCYFPN-UHFFFAOYSA-N 333.453 3.659 0 50 EHAA COC(=O)c1c(C)oc2ccc(OC(=O)c3cccc(OC)c3)cc12 311611 JCHLUUCPZCKMIL-UHFFFAOYSA-N 340.331 3.756 0 50 EHAA biogenic CCN(Cc1ccc2ccccc2n1)C(=O)[C@@H]1CCCc2nc(C)[nH]c21 2325806095 SNEKVTQKMPVTJC-QGZVFWFLSA-N 348.450 3.735 0 50 EHAA COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 29923 MIKZJBYSLZKJNF-UHFFFAOYSA-N 339.435 3.799 0 50 EHAA biogenic Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 206388 VWEJJZRWLPSLRL-ZDUSSCGKSA-N 328.799 3.640 0 50 EHAA CCCN(CCC)S(=O)(=O)c1cc(C(C)C)c(C)cc1OC 450419 HTXMHBAFPQFWNJ-UHFFFAOYSA-N 327.490 3.938 0 50 EHAA C[C@H](NC(=O)Nc1ccc(Br)cc1Cl)[C@H]1CCCO1 611189 KDXAXJKBXLVHHA-QPUJVOFHSA-N 347.640 3.792 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(C(F)(F)F)cc1 2385890 UKFKHDUXBBWVHB-GFCCVEGCSA-N 347.333 3.616 0 50 EHAA CCc1oc2ccccc2c1CN1CCC[C@]12CCCN(C)C2=O 2356167397 OCQGRNUXEUSKQN-FQEVSTJZSA-N 326.440 3.582 0 50 EHAA COC(C)(C)CCC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6658399 ZVKFIKZHLOJRAL-LFIBNONCSA-N 338.364 3.886 0 50 EHAA COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)O 6731393 GARMDYLWECVQLZ-OLZOCXBDSA-N 337.803 3.734 0 50 EHAA COc1ccccc1CN(C(=O)c1cccnc1SC)C1CC1 55131489 OLLHQULKXDCQPM-UHFFFAOYSA-N 328.437 3.617 0 50 EHAA COc1ccc(O)cc1-c1c(-c2ccccc2)ncn1CC[C@@H](C)O 65462335 OOKWFJGKZICQOJ-CQSZACIVSA-N 338.407 3.702 0 50 EHAA Cc1cnc(N2CCC(c3ccccc3)CC2)nc1-c1ccnn1C 20782713 PPECDCCGUVMBME-UHFFFAOYSA-N 333.439 3.570 0 50 EHAA C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCc2sccc2[C@H]1C 252679137 IIXJVSFTDRYDJP-IIAWOOMASA-N 336.501 3.972 0 50 EHAA c1nc(CN(Cc2cocn2)Cc2ccc([C@@H]3CCCCO3)o2)co1 216208005 BKNOREVMXCVNSY-KRWDZBQOSA-N 343.383 3.700 0 50 EHAA COc1cccc2c(NC(=O)c3sc(C)nc3C)c(C)cnc12 253416488 FPFYLTKOEBZSTG-UHFFFAOYSA-N 327.409 3.877 0 50 EHAA CCN(C(=O)c1sc(CC2CC2)nc1C)[C@@H]1CCOC(C)(C)C1 362314163 AUXCUYREMKCUIH-CQSZACIVSA-N 336.501 3.824 0 50 EHAA CCc1[nH]c2c(CNC(=O)c3ccnn3C(F)F)cc(C)cc2c1C 71759113 QNUAMQFUAFYMBC-UHFFFAOYSA-N 346.381 3.869 0 50 EHAA CN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1 241862504 SQQOBZGWTORDOH-UHFFFAOYSA-N 328.721 3.959 0 50 EHAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)[C@H]1CC12CCC2 77408329 BUVBBUGPUOLFJH-LJQANCHMSA-N 326.484 3.547 0 50 EHAA COc1ccc(/C=C/CN(C)Cc2cc(-c3ccncc3)no2)cc1 72171131 BJRJKBPHFDGHCJ-ONEGZZNKSA-N 335.407 3.890 0 50 EHAA COc1ccc(-c2cc(C(=O)Nc3nc(C4CC4)cs3)no2)cc1 17071384 NYAIPQXEVJVDOZ-UHFFFAOYSA-N 341.392 3.936 0 50 EHAA CC[C@H]1CN(C(=O)c2ccccc2-c2ccccc2F)CCN1C 222800344 VIRFFWNPYLAUHF-HNNXBMFYSA-N 326.415 3.659 0 50 EHAA O=C(NCC1CCCCC1)N1CCc2[nH]c(-c3ccccc3)nc2C1 95517536 BDDULNRQROFDKR-UHFFFAOYSA-N 338.455 3.725 0 50 EHAA COc1cc(-c2ccc3[nH]c(=O)cc(C)c3c2)cc(OC)c1OC 96133055 NVFBGXXBCWPRTA-UHFFFAOYSA-N 325.364 3.529 0 50 EHAA Cc1cc2c(cc1-c1cn(Cc3cccc4[nH]ccc34)nn1)OCO2 92099701 DWOWPNHWZYLXTR-UHFFFAOYSA-N 332.363 3.512 0 50 EHAA CCC[C@]1(CO)CCCN(C(=O)c2c(C)c3ccccc3n2C)C1 91646007 JMLDXNKRAFOIPA-FQEVSTJZSA-N 328.456 3.502 0 50 EHAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 253612039 UUOHXXXJRQGPLC-NFNVHOMESA-N 332.484 3.918 0 50 EHAA CCn1cc(-c2ccc(C(=O)N(C)CCC[C@@H]3CCCO3)cc2)cn1 534655898 BCZDBWDVDCHRKW-LJQANCHMSA-N 341.455 3.601 0 50 EHAA CCc1nc(-c2ccc(C(=O)N(C)Cc3ncc[nH]3)cc2)ccc1C 584891029 UGYNWOLOUNQUQA-UHFFFAOYSA-N 334.423 3.615 0 50 EHAA CC(C)(C)C[C@@H](NC(=O)Cc1n[nH]c2ccccc12)c1cccnc1 670471887 UNBWCCPPAZCUPM-GOSISDBHSA-N 336.439 3.794 0 50 EHAA CC(C)c1cc(C(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)on1 885938890 GAYPQUHQPMKOKC-INIZCTEOSA-N 344.411 3.998 0 50 EHAA CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1Cl 952987456 MGWXOLURORYEET-JKSUJKDBSA-N 342.826 3.832 0 50 EHAA CC(C)N(C)C[C@@H](O)CN[C@H](C)c1ccc(Cl)c2ccccc12 1459995891 KUZUMHDWJHJAFZ-CABCVRRESA-N 334.891 3.845 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1ccc(O)cc1 170593646 MKMZOOFVMMHBMO-QGZVFWFLSA-N 342.443 3.559 0 50 EHAA Fc1ccc(N[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1F 11840724 ASOVXYWVJVZTMX-KRWDZBQOSA-N 344.405 3.976 0 50 EHAA C[C@H]1CCCCN1C(=O)c1ccc(C(=O)N2CCCC[C@H]2C)cc1 12417758 FFRPXIHFEUDATH-IYBDPMFKSA-N 328.456 3.716 0 50 EHAA O[C@@H](Cn1ccnc1-c1ccc(CC(F)(F)F)cc1)c1cccnc1 1857686526 AFBACXXGNPRMRJ-INIZCTEOSA-N 347.340 3.784 0 50 EHAA CCCc1nc(CN2C[C@H](c3cc(C)ccc3C)OC[C@H]2C)no1 247251564 DWQPGZQSUDCZDY-NVXWUHKLSA-N 329.444 3.601 0 50 EHAA CC(C)(C)c1nocc1CNC(=O)Nc1cc(F)cc2c1OCCC2 1875296846 RNHLFUUMZGLPRP-UHFFFAOYSA-N 347.390 3.758 0 50 EHAA CN1CCC[C@H](CSc2nnc(-c3cc4ccccc4o3)o2)C1 1875262866 QEPAULNPFQFYRF-LBPRGKRZSA-N 329.425 3.917 0 50 EHAA CN(C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)C1CC1 1775993727 INZBAJGAFIVYOO-UHFFFAOYSA-N 342.349 3.568 0 50 EHAA CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)OC(C)(C)C)C1 40566659 ZTGGNYIHGLOCJH-FQEVSTJZSA-N 347.455 3.810 0 50 EHAA in-vitro O=C(NC[C@H]1CCC[C@@]2(CCOC2)O1)Nc1ccc2sccc2c1 2325769525 QVXFKMFJJQXDEN-QAPCUYQASA-N 346.452 3.751 0 50 EHAA CC(C)(C)c1cccc(OCCN2c3ccncc3N3CC[C@H]2C3)c1 2325854850 YGUCXCMGBRXGGN-KRWDZBQOSA-N 337.467 3.857 0 50 EHAA CC(=O)O[C@H](C(=O)Nc1ccc(Br)cc1)c1ccccc1 406484 XGUDBKZLNYMYEO-HNNXBMFYSA-N 348.196 3.692 0 50 EHAA CC1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 465393 IDFLLYMCUVPBPR-FQEVSTJZSA-N 325.452 3.825 0 50 EHAA CCOc1ccccc1N1CCN(C(=O)c2ccccc2Cl)CC1 476237 JDWZEBKMPHVYTN-UHFFFAOYSA-N 344.842 3.701 0 50 EHAA O=C(Cc1ccc(Cl)cc1)Nc1nnc(Cc2ccccc2)s1 2734674 HTOZOXPSVSZGOI-UHFFFAOYSA-N 343.839 3.964 0 50 EHAA CCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1Cl 4094502 MJJYZLGVACSALK-CYBMUJFWSA-N 330.815 3.692 0 50 EHAA CCOc1ccccc1[C@H]1N=C(O)c2c(sc3c2CCN(C)C3)N1 6784271 ATDAZNPVVYVIPX-INIZCTEOSA-N 343.452 3.564 0 50 EHAA Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@H](C3CCCCC3)C2)s1 222297356 NAERLHQFLIKQOE-IXDOHACOSA-N 333.497 3.968 0 50 EHAA Cc1cc(NC(=O)[C@H](Sc2ccccn2)c2ccccc2)no1 8707977 PQRNFYRYUBBELN-MRXNPFEDSA-N 325.393 3.850 0 50 EHAA O=C(Nc1ccccc1C(F)(F)F)c1c(O)[nH]c2ccccc2c1=O 8995685 MXWVXZKBPUZQDX-UHFFFAOYSA-N 348.280 3.505 0 50 EHAA OCCc1ccccc1OCc1ccc(F)c(Br)c1 225653625 NCBSKTJMQRQCJD-UHFFFAOYSA-N 325.177 3.702 0 50 EHAA CC(C)[C@H](C)n1ncc2[nH]c(-c3cccn3-c3nccs3)nc21 20363729 KBOVWFCACWGFEG-NSHDSACASA-N 326.429 3.891 0 50 EHAA CC[C@@H](C)N(Cc1ccncc1)C(=O)c1cccc(OC)c1OC 55252236 BSSXJTQSCBSESY-CQSZACIVSA-N 328.412 3.540 0 50 EHAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1F 248054153 SAXHZCYCMOPFEV-JZXOWHBKSA-N 341.430 3.643 0 50 EHAA O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC[C@@H](c2nccs2)C1 229263570 CRLNVSUWIOBMCP-VNQPRFMTSA-N 330.428 3.792 0 50 EHAA CC(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc(N3CCCCC3)nc2)no1 252500172 SOFTZNNMJPKIBZ-RDJZCZTQSA-N 342.443 3.650 0 50 EHAA CC1(C)CN(C(=O)NCCc2cccs2)CC[C@H]1C(F)(F)F 252510450 ZLCWORYNHMGBSB-GFCCVEGCSA-N 334.407 3.911 0 50 EHAA O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N1CCC=C(F)C1 354789082 NKKFUGXNYQASLW-UHFFFAOYSA-N 345.349 3.891 0 50 EHAA Cc1ccc([C@H](C)NC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)o1 229742134 XJZLEPAUZHVJEY-GJZGRUSLSA-N 343.427 3.696 0 50 EHAA CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(N)=O 1388138 MPNJTIZLDHWBFX-UHFFFAOYSA-N 325.623 3.816 0 50 EHAA biogenic,in-vitro Cc1nn(C(F)F)c(C)c1C(=O)N1CCC(Cc2ccccc2)CC1 2785952 YMESJTXGWAAGNP-UHFFFAOYSA-N 347.409 3.990 0 50 EHAA Cc1c(C(=O)N(C)Cc2ccc3nonc3c2)n(C)c2c(C)cccc12 215762868 MEASVANMZPADBS-UHFFFAOYSA-N 348.406 3.604 0 50 EHAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 231427368 OIDGOLOGCZMMIW-OKILXGFUSA-N 339.501 3.794 0 50 EHAA CCOc1ccc(CN2CCCC[C@H]2c2nccs2)cc1CO 215330736 HSSLIYZIHAQUMA-INIZCTEOSA-N 332.469 3.761 0 50 EHAA COCCN(Cc1ccccn1)C(=O)N[C@@H](c1ccccc1)C(C)C 79914556 YEQIHEKIALNVEN-LJQANCHMSA-N 341.455 3.637 0 50 EHAA COCc1nc(CN2CCC[C@H]2c2nc(C3CCCCC3)co2)no1 367978572 AANKRFHHUAEKOV-HNNXBMFYSA-N 346.431 3.589 0 50 EHAA COc1ccc(-c2n[nH]cc2CN(C)[C@@H](C)c2ccccn2)c(F)c1 72426055 CHUHAOYKVGVOAU-ZDUSSCGKSA-N 340.402 3.812 0 50 EHAA CNc1nc(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cs1 72156403 YZDKOUBRGWSCNI-OAHLLOKOSA-N 327.457 3.707 0 50 EHAA Cc1nc2c(C(=O)N[C@H]3CCOc4ccc(F)cc43)cccc2o1 373403443 OIYKDQQOJHLMOJ-AWEZNQCLSA-N 326.327 3.529 0 50 EHAA CC(C)=CCN1CCCC[C@@H]1C(=O)Nc1ccc(-n2cccn2)cc1 14975131 FPDOXDRFJUBVSM-LJQANCHMSA-N 338.455 3.632 0 50 EHAA COc1cccc(CNC(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 31031599 POBAGFIYTIINNV-GOSISDBHSA-N 328.387 3.881 0 50 EHAA COc1cccc(-c2cc(CNc3cc(C)nc4cc(C)nn34)on2)c1 72476462 QSDPRSLIHXTYPN-UHFFFAOYSA-N 349.394 3.622 0 50 EHAA COC(=O)c1c(NC(=O)c2noc(C)c2C)sc2c1CCCCC2 13641104 WWROQPYAXWHUSQ-UHFFFAOYSA-N 348.424 3.661 0 50 EHAA Cc1ccc(-c2[nH]nc(NC(=O)CCCc3ncc(C)o3)c2C)o1 450174234 CEFUDHGFOJQJAT-UHFFFAOYSA-N 328.372 3.544 0 50 EHAA Cc1cc(C)n(-c2cccc(CN(C)C(=O)CCC(F)(F)F)c2)n1 221316390 BWVKBWDEAJKHBR-UHFFFAOYSA-N 339.361 3.790 0 50 EHAA Cc1cc(-c2ccc(C(=O)NC[C@H]3CCOC3)cc2)c2ccccc2n1 426504437 FPJZPRMKRAFPGN-MRXNPFEDSA-N 346.430 3.977 0 50 EHAA COc1cccc(-c2ccccc2NC(=O)NC[C@H]2CCCOC2)c1 97527831 PBAFLABXPLUNAL-OAHLLOKOSA-N 340.423 3.910 0 50 EHAA O=C(CCCc1cn[nH]c1)N(Cc1c(F)cccc1Cl)C1CC1 97575014 UCGLQVFNLCWSQM-UHFFFAOYSA-N 335.810 3.716 0 50 EHAA Cc1cc([C@@H]2CCCCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)no1 92081824 OUTYYROGJCKSBT-SFHVURJKSA-N 336.395 3.741 0 50 EHAA O=C(c1ccccc1-n1cncn1)N1CCCCC[C@H]1c1ccco1 91594879 UDJOSIQFCJIJGS-KRWDZBQOSA-N 336.395 3.618 0 50 EHAA O=C(CSC[C@H]1CCCCO1)Nc1cccc2ccc(O)cc12 184046935 AAGYKDBYAXXOQP-OAHLLOKOSA-N 331.437 3.786 0 50 EHAA Cc1ccc(CCNC(=O)N(C)[C@@H](C)Cc2ccccn2)c(C)c1 584897348 KTAZMIVUBPNRPU-KRWDZBQOSA-N 325.456 3.514 0 50 EHAA Cc1ccc(-c2cc(C(=O)NCc3csc4c3CCCC4)n[nH]2)o1 952991084 OQZDVSBCTCGTNK-UHFFFAOYSA-N 341.436 3.848 0 50 EHAA C[C@H]1CN(Cc2cnc(C3CCCCC3)nc2)CC[C@]1(O)C1CC1 1565507067 LODIZLXNTWAKKU-MGPUTAFESA-N 329.488 3.507 0 50 EHAA CCOc1ncccc1NC(=O)c1ccc(OC)c(-c2ccccn2)c1 165554207 XXIJGHFLOLSJJT-UHFFFAOYSA-N 349.390 3.803 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@H](N(C)Cc3ccccn3)CC2)s1 275591966 GGHIITVZVRWUMS-KRWDZBQOSA-N 343.496 3.578 0 50 EHAA COc1ccc2cc(CNc3nnc([C@H]4CCCO4)o3)ccc2c1 170592193 CKDNESCHRFLJDD-MRXNPFEDSA-N 325.368 3.695 0 50 EHAA CCc1nc(Cl)c(C)c(NCc2nnc(C(C)(C)C)s2)n1 170662137 GYCRTMMYQWJDGQ-UHFFFAOYSA-N 325.869 3.762 0 50 EHAA COC(=O)c1c(NC(=O)c2ccoc2Cl)sc2c1CCC2 192394224 PEWISMLHTGWHCC-UHFFFAOYSA-N 325.773 3.522 0 50 EHAA O=C(Nc1nnc(CC2CCCCC2)s1)c1coc(CC2CC2)n1 193606610 JAKCEFGYTBCPDK-UHFFFAOYSA-N 346.456 3.854 0 50 EHAA O=C(CCN1CCCC[C@@H]1c1nccs1)Nc1ccccc1F 195439816 CMXMQOXFQCVGBD-OAHLLOKOSA-N 333.432 3.838 0 50 EHAA O=C(NC1CCC(C(F)(F)F)CC1)N1CCCC[C@@H]1c1cn[nH]c1 195554253 UMKTVCNBILRHGP-JXQTWKCFSA-N 344.381 3.767 0 50 EHAA COC(=O)N1CCC([C@@H](C)Nc2nc3cccc(C)c3s2)CC1 795141355 SMWJPUMEKPQELW-GFCCVEGCSA-N 333.457 3.884 0 50 EHAA CCOc1cc(C)c(/C=C2/C(=O)N(CC)C(=S)N2C)cc1C(C)C 476545 XLHJLSLFWPEMRY-WJDWOHSUSA-N 346.496 3.937 0 50 EHAA Brc1ccccc1CN1CCN(C2CCCCC2)CC1 19361683 PXEQNEOGZNQCSG-UHFFFAOYSA-N 337.305 3.899 0 50 EHAA Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1CO2 5899908 CEXFNPVQRCFYMX-HNNXBMFYSA-N 329.197 3.950 0 50 EHAA COCCN(Cc1nc(-c2ccc(OC)cc2F)oc1C)C(C)C 11878872 ULNGHJVKPCFZKW-UHFFFAOYSA-N 336.407 3.655 0 50 EHAA CC(C)(C)c1ccc(OC[C@H](O)C[S@@](=O)Cc2ccccc2)cc1 12381723 ZSQKPFKNQLPLDZ-MHECFPHRSA-N 346.492 3.673 0 50 EHAA Cc1cc(NC(=O)[C@@H](Sc2nnc(C)s2)c2ccccc2)no1 14115303 AJNZCHZILUIUHN-ZDUSSCGKSA-N 346.437 3.615 0 50 EHAA CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(O)c(OC)c2)C1=O 4472177 CSZDWJVYHVIMIT-OTIXFSKASA-N 341.816 3.889 0 50 EHAA Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@H](C)CCO 127224231 YHPZHOADANOMBP-OAHLLOKOSA-N 348.446 3.640 0 50 EHAA C[S@](=O)Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 248897884 VTBRGBSBLQHCQP-AQKDONEWSA-N 347.867 3.961 0 50 EHAA CCN(C(=O)c1cc2cc(Cl)ccn2n1)[C@H](C)c1cccnc1 252479348 BDJACFDQCNYXOA-GFCCVEGCSA-N 328.803 3.606 0 50 EHAA O=C(c1c[nH]c2cccc(Br)c12)N1CCC[C@@H]1C1CC1 367195172 HCBYPZJVPGRIOP-CQSZACIVSA-N 333.229 3.945 0 50 EHAA CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1ccnn1C 162277285 CJKBXHSTGDUXLL-UHFFFAOYSA-N 345.834 3.536 0 50 EHAA FC(F)(F)c1nc(-c2ccc(Cl)cc2Cl)c2n1CCNC2 904760669 VUMPXVQSNTVEIY-UHFFFAOYSA-N 336.144 3.979 0 50 EHAA O[C@H](Cc1cccc(F)c1)CN1CCC[C@H]1c1ccc(F)cc1F 1875355842 BWUIUTNUDLWYGK-APWZRJJASA-N 335.369 3.844 0 50 EHAA O=C(NCc1cc2ccccc2s1)NC[C@]12C[C@H]1COC21CCC1 892325213 IPAJNZRDKHKVHD-KBXCAEBGSA-N 342.464 3.660 0 50 EHAA O=CN[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 334845 WQVLZSHDKQTNPJ-QMMMGPOBSA-N 337.417 3.815 0 50 EHAA COC[C@@H](Nc1ncc2ccccc2n1)c1cc(F)c(F)c(F)c1 2325775742 OWPIDAMLMYIBIQ-OAHLLOKOSA-N 333.313 3.847 0 50 EHAA Cc1ccc(CNCc2c(C)nc3scc(C4CC4)n23)cc1O 2325792258 QEASARZCODWROG-UHFFFAOYSA-N 327.453 3.885 0 50 EHAA CCC[C@H](N[C@@H]1CNCCOC1)c1ccc(Oc2ccccc2)cc1 2325822421 WUOMMMIXEMENGD-NQIIRXRSSA-N 340.467 3.898 0 50 EHAA O=C(NCc1ccc(-c2ccccc2)cc1)c1cnc(C2CC2)nc1 2325827146 WQYLAQHEUSNTRH-UHFFFAOYSA-N 329.403 3.951 0 50 EHAA O=C(CSc1nc2ccccc2s1)Nc1ccc(C(=O)O)cc1 181627 ARVQDURBWHSEPA-UHFFFAOYSA-N 344.417 3.725 0 50 EHAA COc1ccc(CNc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 360175 MDBYRBABMFNTFI-UHFFFAOYSA-N 328.412 3.910 0 50 EHAA O=C(NC(=S)NCc1cccnc1)c1ccc(-c2ccccc2)cc1 376699 BFZQINDVLDFXMZ-UHFFFAOYSA-N 347.443 3.553 0 50 EHAA O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccccc1 391431 ZPALEQYSHFYKCL-UHFFFAOYSA-N 333.174 3.586 0 50 EHAA O=C(Nc1nccs1)c1ccc(NC(=O)C2CCCCC2)cc1 449293 QJAKDJWVPNOLDE-UHFFFAOYSA-N 329.425 3.914 0 50 EHAA Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 529526 XQHQIJLRSALOQU-HOTGVXAUSA-N 339.830 3.968 0 50 EHAA O=C(COc1ccccc1)Nc1ccc2oc(-c3cccnc3)nc2c1 2974554 HAZMBNZFCCCZAW-UHFFFAOYSA-N 345.358 3.907 0 50 EHAA N=C(C[C@H](O)COc1ccccc1-c1ccccc1)N1CCCCC1 3995780 HSVZQQYIMKLNLN-SFHVURJKSA-N 338.451 3.947 0 50 EHAA in-vitro CC(C)CN1C(=O)c2cccc3cc(Br)cc(c23)C1=O 4655926 LQMJPBYFDVGGKT-UHFFFAOYSA-N 332.197 3.854 0 50 EHAA COCc1cc(C)nc2sc(C(=O)N[C@@H]3CCCC[C@H]3C)c(N)c12 9236131 ZCWIVTULPZWVHG-ZWNOBZJWSA-N 347.484 3.642 0 50 EHAA Clc1ccc(-n2nnnc2CSc2ccccn2)cc1Cl 9344310 UDJIFYZURLJANV-UHFFFAOYSA-N 338.223 3.656 0 50 EHAA C[C@H](CNC(=O)c1coc2ccccc12)N1CCc2sccc2C1 113024901 VPTWJCKONVDGDX-CYBMUJFWSA-N 340.448 3.671 0 50 EHAA c1ccc(Cc2noc(-c3ccc(N4C[C@H]5CC[C@H]4C5)nc3)n2)cc1 102604649 CYOWYZUEQZDXES-RDJZCZTQSA-N 332.407 3.711 0 50 EHAA CC(=O)c1ccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)cc1 21660226 HNQOKJVZWZNPJD-UHFFFAOYSA-N 345.708 3.547 0 50 EHAA CCC(CC)n1ncc2c1NC(=O)C[C@H]2c1ccnn1-c1ccccc1 65420946 OGFSZAFDRPHRHF-MRXNPFEDSA-N 349.438 3.904 0 50 EHAA COc1cccc(-c2nccn2C2CCCC2)c1O[C@H](C)C(=O)O 67588760 KHLFKRIYDCJWAT-GFCCVEGCSA-N 330.384 3.526 0 50 EHAA CNC1CCN(C2CCN(c3ccc(-c4ccco4)cc3)CC2)CC1 63870651 ARMXYDOMZQKJGD-UHFFFAOYSA-N 339.483 3.599 0 50 EHAA C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 14669 UYNVMODNBIQBMV-KKSFZXQISA-N 325.452 3.769 0 50 EHAA biogenic,world O=C(CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1384760 ITYDKMOKHRLFIV-UHFFFAOYSA-N 329.204 3.650 0 50 EHAA Cc1cc(C(=O)N(Cc2ccc(O)cc2)Cc2cccnc2)cc(C)n1 216252150 GMMLDMZZLZQORI-UHFFFAOYSA-N 347.418 3.642 0 50 EHAA Cc1noc(C)c1[C@H](C)C(=O)N1c2ccccc2N(C)CC[C@H]1C 230088648 DFHHTCPZEOQIDQ-OLZOCXBDSA-N 327.428 3.657 0 50 EHAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1OC 4916534 JMNXNEWGJNFPHR-INIZCTEOSA-N 345.439 3.552 0 50 EHAA CC(C)n1cc2cc(NC(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]34)ccc2n1 230101902 YMCMJIDNZJBBRW-CGTJXYLNSA-N 342.443 3.696 0 50 EHAA Cc1cc(F)ccc1NC(=O)c1cnc(OCc2ccccc2)cn1 428340961 TVQWAOGJAGPNFV-UHFFFAOYSA-N 337.354 3.755 0 50 EHAA O=C1CCCN1[C@@H]1CCCN(Cc2ccccc2-c2ccccc2)C1 71753218 BQTYCHQJYQOMCA-HXUWFJFHSA-N 334.463 3.940 0 50 EHAA CC(C)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1 122435289 BRNIZHACPQWFSZ-UHFFFAOYSA-N 326.425 3.919 0 50 EHAA Cc1coc(-c2cccc(NC(=O)[C@H]3OCCc4ccccc43)c2)n1 124427045 MCCCUZCYBJZCDE-SFHVURJKSA-N 334.375 3.903 0 50 EHAA CN(C)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 477511104 ZVYGSARHKVBFGI-UHFFFAOYSA-N 344.358 3.572 0 50 EHAA Cc1nc([C@@H](C)N2CCC[C@@H](COc3ccccc3Cl)C2)n[nH]1 331670857 OGUQACZGRBELDG-TZMCWYRMSA-N 334.851 3.619 0 50 EHAA Cc1ccc(CN(C)C(=O)N[C@@H]2CCc3c(Cl)cccc32)nc1 241132781 JLOQRRZARTWSTH-QGZVFWFLSA-N 329.831 3.872 0 50 EHAA CC(C)(C)[C@@H]1OCC[C@H]1c1noc([C@H]2COc3ccccc3O2)n1 333594338 PNWZYVWTXXUMRJ-KCPJHIHWSA-N 330.384 3.501 0 50 EHAA C[C@H](NC(=O)CC1C[C@@H]2CC[C@H](C1)N2)c1ccc(-c2ccncc2)cc1 237589318 UJUCQKNPKBXEHY-CTNHJARLSA-N 349.478 3.847 0 50 EHAA C1=Nn2c(Cc3ccccc3)nnc2Sc2nc3ccccc3cc21 221530480 CBZADFBZWGMFGU-UHFFFAOYSA-N 343.415 3.764 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1cc(F)ccc1F)[C@@H]2C(=O)O 225665608 KAEWQPOVWLJIJJ-HOJOPBEUSA-N 335.350 3.597 0 50 EHAA CC1(CNC(=O)N2CCC(c3nc4ccccc4o3)CC2)CCC1 175001777 HXRKZTCKLWBDNJ-UHFFFAOYSA-N 327.428 3.907 0 50 EHAA CN(CCC[C@@H]1CCCO1)C(=O)c1cc2c(Cl)cccc2n1C 426690256 HRPRJCNXXBBTCV-CYBMUJFWSA-N 334.847 3.863 0 50 EHAA O=C([C@@H]1C[C@@H]1C1CC1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 177132594 XGTBZMJFGFBGBK-ZACQAIPSSA-N 337.423 3.836 0 50 EHAA Cn1ccnc1[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2F)C1 82147408 ZRSUIMKFHNWNNI-ZDUSSCGKSA-N 341.352 3.958 0 50 EHAA CC(C)c1cc(CN(C)C(=O)[C@H](C)Oc2cccc(Cl)c2)on1 223039996 UZYPUIKPKMKACC-LBPRGKRZSA-N 336.819 3.877 0 50 EHAA CC[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)C12CC3CC(CC(C3)C1)C2 239433189 XIKYNLRAQBQZED-SIUZAQLESA-N 345.483 3.765 0 50 EHAA COC[C@@H](C)NC(=O)N(Cc1cccc(OC)c1)C1CCCCCC1 426668975 ISFCWQXOQSHTJR-MRXNPFEDSA-N 348.487 3.965 0 50 EHAA Cc1ccc2nc(C)c(C)c(C(=O)NC[C@@H](C)Oc3cccnc3)c2c1 95516696 CGEJYKJBGHRCSK-CQSZACIVSA-N 349.434 3.752 0 50 EHAA CNC(=O)C1(NC(=O)Nc2ccc(-c3ccco3)cc2)CCCCC1 97474903 AAYUALLYQUBKEB-UHFFFAOYSA-N 341.411 3.517 0 50 EHAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)N(C(C)C)C(C)C 91694801 IEJXMRUPMBFKNL-HNNXBMFYSA-N 341.459 3.736 0 50 EHAA Cc1cc(C(=O)N2CCCN(c3ccccc3C)CC2)ccc1F 91645517 CAAGGFVYIVSIRI-UHFFFAOYSA-N 326.415 3.795 0 50 EHAA O=C(CSC[C@H]1CCCCO1)Nc1ncccc1-c1ccccc1 181416735 PPWJTRXKYIOFAY-MRXNPFEDSA-N 342.464 3.989 0 50 EHAA Cc1cc(-c2ccccc2)nc(CN(C)CCCc2c(C)n[nH]c2C)n1 244858651 VPKVVBMELXTWBC-UHFFFAOYSA-N 349.482 3.857 0 50 EHAA C[C@H](c1cccc(CN2CCN(Cc3cccs3)CC2)c1)N(C)C 823648985 MXFZMXGMLZFTPB-QGZVFWFLSA-N 343.540 3.689 0 50 EHAA Cc1nccn1CC(=O)Nc1cc(Cl)ccc1N1CCC[C@H](C)C1 822416764 DXNVVUKFKHPZNB-ZDUSSCGKSA-N 346.862 3.720 0 50 EHAA CC[C@@H](C)n1nccc1C(=O)Nc1csc(-c2ccncc2)n1 1337476926 IHFSMABUVOBLIM-LLVKDONJSA-N 327.413 3.625 0 50 EHAA Cc1cccc([S@](C)=O)c1NC(=O)NCCSc1ccccc1 170609597 KICGHIYIXHYCII-QHCPKHFHSA-N 348.493 3.646 0 50 EHAA O=C(C1=COCCC1)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 189684250 WWYIKEWGEDLKLJ-SFHVURJKSA-N 337.423 3.825 0 50 EHAA CCCO[C@H]1CCCN(c2cc(C)nc(-c3ccccc3O)n2)C1 1704304091 MUOQZMUZOHCHFF-HNNXBMFYSA-N 327.428 3.553 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@@H]21 1704339981 ANJZZOHYYCKQCQ-XFHNUULXSA-N 346.858 3.835 0 50 EHAA COc1c(F)ccc(-c2nccn2-c2ccc3c(c2)COC3)c1F 1772807466 NWRVBARBORGPHJ-UHFFFAOYSA-N 328.318 3.856 0 50 EHAA CN(Cc1ccon1)C(=O)C[C@@H](c1ccccc1)c1ccccc1F 12201362 ONXCEDLCBVIQSC-SFHVURJKSA-N 338.382 3.994 0 50 EHAA O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN1CC1CC1 14949725 RVROWFMVSKZQIE-QGZVFWFLSA-N 327.453 3.623 0 50 EHAA COCc1ccc(CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)o1 15066156 PHNSJTATBQDPIV-AWEZNQCLSA-N 336.382 3.781 0 50 EHAA Cc1nc2n(CCCc3ccc(Cl)cc3)c(C(C)C)cc(=O)n2n1 225653475 UHRGKTBZHJANIC-UHFFFAOYSA-N 344.846 3.609 0 50 EHAA CCN(C(=O)c1ccc(-n2cncn2)c(C)c1)c1ccccc1Cl 353850434 PTDVRPROLUUJBW-UHFFFAOYSA-N 340.814 3.896 0 50 EHAA COCc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCC(F)(F)C2)o1 253394881 CANFXWHPDAHJMN-GXTWGEPZSA-N 327.371 3.915 0 50 EHAA O=C(c1ncsc1-c1ccccc1)N1CC[C@@H](C2CCOCC2)C1 253427733 OAUXDZFIZDHICI-MRXNPFEDSA-N 342.464 3.699 0 50 EHAA Cc1ccc(Nc2nc(CN3CCCC[C@@H]3C(=O)O)cs2)cc1 262332940 YKFVTNFBCFDJEK-OAHLLOKOSA-N 331.441 3.634 0 50 EHAA CC(C)c1ccc(-c2csc(N3CC(CO)(CO)C[C@H]3C)n2)cc1 1875353698 CVAUMICFRTYCTD-CQSZACIVSA-N 346.496 3.503 0 50 EHAA CC(C)(C)c1cnn(-c2ccccc2OC[C@H]2C[N@@]2CC2CC2)c1 1875385699 ZJMDAERMGSNMQD-VGOFRKELSA-N 325.456 3.643 0 50 EHAA CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccc(C)n1 1875318534 REXLPLNIZARGLU-UHFFFAOYSA-N 336.457 3.649 0 50 EHAA O=c1cc(Sc2nccn2Cc2ccccn2)c2ccccc2o1 2325844084 YHLKSOIUXQMKNM-UHFFFAOYSA-N 335.388 3.584 0 50 EHAA CC1(C)CN(S(=O)(=O)c2coc3ccccc23)[C@H]1c1ccncc1 907205277 ACHFJPOTIWZLDE-KRWDZBQOSA-N 342.420 3.600 0 50 EHAA Cc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc(Cl)cc3)C2)cc1 87403 IFVSPUKNSBYSQL-KRWDZBQOSA-N 348.855 3.759 0 50 EHAA O=C(O)c1cc2cc(Br)ccc2c(Br)c1O 156603 WNMKUIQCIRAXBN-UHFFFAOYSA-N 345.974 3.769 0 50 EHAA in-vitro CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(Cl)cc1 460888 DKRGKTSRKXMGQQ-CQSZACIVSA-N 336.844 3.795 0 50 EHAA O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 534283 DAIWBMZPSVQRCH-LJQANCHMSA-N 335.403 3.562 0 50 EHAA COC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccccc1OC 1054519 SCOWVGPRNSZDGD-UHFFFAOYSA-N 334.397 3.804 0 50 EHAA COC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CCC2 2736471 LTTPWTIMJAZQCM-KGLIPLIRSA-N 341.432 3.766 0 50 EHAA CCOC(=O)C(CCSc1ccc(Cl)cc1)C(=O)OCC 3002110 OVILRVOIQLJXQJ-UHFFFAOYSA-N 330.833 3.565 0 50 EHAA Cc1cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl 4841523 CEFCXKPANYSTOC-LBPRGKRZSA-N 347.798 3.826 0 50 EHAA CCOC(=O)C1CCN(CCOc2ccccc2[C@H](C)CC)CC1 6728835 HUIWHFPHLYPMLD-MRXNPFEDSA-N 333.472 3.854 0 50 EHAA O=C(O)c1cccc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)c1 341708129 BRNDLKIMMJWUQJ-CQSZACIVSA-N 337.297 3.808 0 50 EHAA Cc1cccc(-c2ncc(CN(C)Cc3nc4ccccc4[nH]3)cn2)c1 55393491 YDALIKNPBCVRMU-UHFFFAOYSA-N 343.434 3.960 0 50 EHAA Cc1ccc(C)c(O[C@H](C)C(=O)N(C)Cc2nc3ccccc3[nH]2)c1 55306933 LMOROHCRPXTHPH-OAHLLOKOSA-N 337.423 3.606 0 50 EHAA c1ccc(CN2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1 55124291 LWGVJEQWMDLFEZ-UHFFFAOYSA-N 344.418 3.698 0 50 EHAA CC1=C(C)C[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2C1 101104237 KXCHBLHOXKENCH-KBPBESRZSA-N 334.213 3.685 0 50 EHAA O=C(Nc1ccc(F)c(Cl)c1)c1ccc(CN2CCOCC2)cc1 20137728 XSXLIYAHYLSWBQ-UHFFFAOYSA-N 348.805 3.564 0 50 EHAA Cc1cnn([C@@H](C)C2CC2)c1NC(=O)c1c[nH]nc1-c1ccccc1 67723309 XATPLNFVNVJIJV-ZDUSSCGKSA-N 335.411 3.805 0 50 EHAA CS(=O)(=O)CCc1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 129590183 NHJOZLHGEYZXKN-ZFWWWQNUSA-N 349.418 3.807 0 50 EHAA COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2ccnnc2)cc1 328586461 JJTCFMGHFIUVRX-OAHLLOKOSA-N 347.418 3.985 0 50 EHAA Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N[C@@H](C)c1ccccc1 271885 AIGBTSMXRPPROC-VIFPVBQESA-N 345.752 3.741 0 50 EHAA CC(C)(C(=O)N1CC[C@H](c2ccccc2C(=O)O)C1)c1ccccc1 72123907 ONDIDBNZMPISDT-HNNXBMFYSA-N 337.419 3.679 0 50 EHAA CC(C)[C@H]1CN(C(=O)N2CCCC2)CCCN1Cc1ccc(F)cc1 71762477 FKXINGHCSKDZKK-LJQANCHMSA-N 347.478 3.574 0 50 EHAA O=C(NCc1ccsc1)N[C@@H](Cc1ccccn1)c1ccccc1 356935689 GPOPZVZYPGUPAZ-SFHVURJKSA-N 337.448 3.926 0 50 EHAA CC[C@@H]1CN(C(=O)c2csc([C@@H]3CCCO3)n2)c2ccccc2O1 153748971 CJZKVUWZYPJAIZ-WBMJQRKESA-N 344.436 3.812 0 50 EHAA Cc1cc(C(=O)Nc2cnccn2)nn1-c1ccc(Cl)c(Cl)c1 125523555 BDDYGUFDGDETRU-UHFFFAOYSA-N 348.193 3.530 0 50 EHAA Cc1nn(C)cc1[C@H](C)n1ccnc1-c1coc(-c2ccccc2)n1 71388675 DBYJFMSZLVRUFV-AWEZNQCLSA-N 333.395 3.856 0 50 EHAA CN(Cc1cccnc1Cl)c1nccc(CCC(F)(F)F)n1 71753710 QBVXJIXXGIZIRL-UHFFFAOYSA-N 330.741 3.656 0 50 EHAA Cc1cc(NC(=O)c2ccnc(-n3ccnc3)c2)c2cccnc2c1C 173117489 HBTPRNNLUDEWFQ-UHFFFAOYSA-N 343.390 3.685 0 50 EHAA C[C@H](c1nc2ccccc2o1)N(Cc1cccnc1)C[C@H]1CCCO1 241694000 QJOSPSPCOTWACS-NVXWUHKLSA-N 337.423 3.965 0 50 EHAA Cc1ccc([C@@H]2CCCN2C(=O)NCC2(CF)CCOCC2)cc1 455382781 QVYGVMOGSBILFC-KRWDZBQOSA-N 334.435 3.608 0 50 EHAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 174852452 RCNGTAFXUDLHFY-FXAWDEMLSA-N 334.419 3.896 0 50 EHAA Cc1cc([C@H](C)NC(=O)N2CCOc3cc(O)ccc3C2)c(C)s1 287288903 VPYLHZZJAKUAEN-LBPRGKRZSA-N 346.452 3.736 0 50 EHAA C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)O)cc1 237573164 MNUXFUAKXMCEDR-LRDDRELGSA-N 327.355 3.542 0 50 EHAA CCOc1ccc(Cl)cc1CN(C)C(=O)Cc1csc(C)n1 96150211 KZJGDHGWQJUVSE-UHFFFAOYSA-N 338.860 3.705 0 50 EHAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 95381249 UQTHNLUCLLFVSN-OAHLLOKOSA-N 344.459 3.814 0 50 EHAA CCOc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CCCCCN1C 95382473 HQDAQUWIFUAOCR-INIZCTEOSA-N 338.879 3.572 0 50 EHAA CCCc1nc(C)c(CNC(=O)[C@@H](C)n2ccnc2C(C)C)s1 95517128 NEFXFWPESKTNPH-CYBMUJFWSA-N 334.489 3.601 0 50 EHAA COCCN(Cc1ccsc1)C(=O)c1c[nH]nc1C1CCCCC1 97775964 IHIFFZZZIGGTAQ-UHFFFAOYSA-N 347.484 3.808 0 50 EHAA C[C@H](Nc1ccc(NC(=O)NCc2ccco2)cc1)c1cnccn1 184989232 VGPQYRXMVBMJHW-ZDUSSCGKSA-N 337.383 3.564 0 50 EHAA CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(N)c1 390759973 LOXOXXFJCCYFJY-UHFFFAOYSA-N 338.860 3.522 0 50 EHAA COc1ccc(CN[C@H](Cn2cccn2)c2ccccc2)c(F)c1 952860679 RBNJEFKNOXNYKE-LJQANCHMSA-N 325.387 3.562 0 50 EHAA O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(O)c1 77286504 GZHTYXYJBZYTEV-UHFFFAOYSA-N 349.120 3.948 0 50 EHAA in-vitro C/C=C/c1ccc(OCc2cnc(C3OCCO3)s2)c(OC)c1 408524963 DARZTYHPCLJLEI-ONEGZZNKSA-N 333.409 3.809 0 50 EHAA O=C(c1cccc(F)c1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 275872504 ZZVFRPXGESZAPU-KRWDZBQOSA-N 344.455 3.672 0 50 EHAA CN(Cc1nccs1)[C@@H]1CC12CCN(C[C@@H]1CC=CCC1)CC2 275841255 WCQGGTWAUDFTMP-IAGOWNOFSA-N 331.529 3.786 0 50 EHAA C[C@H]1C[C@H](O)CCN1Cc1cn(-c2ccccc2)nc1-c1ccccc1 170610755 JHRHFWSLCYRKPS-LAUBAEHRSA-N 347.462 3.885 0 50 EHAA CC1=C[C@H](OC(=O)C2CCN(C(=O)N3CCCC3)CC2)CC(C)(C)C1 170623520 UTIBTESPPAWUJN-KRWDZBQOSA-N 348.487 3.592 0 50 EHAA CC[C@H](OC1CCCC1)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1 170632973 PXZMJKXKAQQBCZ-SFHVURJKSA-N 345.418 3.996 0 50 EHAA O=C(O)C[C@H](NC(=O)c1cc2cccc(F)c2o1)c1ccc(F)cc1 675947103 FZAKFMICKQIPHA-AWEZNQCLSA-N 345.301 3.657 0 50 EHAA Cc1cc(NC(=O)COc2ccc(Cl)cc2)n([C@H](C)C2CC2)n1 1529091136 ODLXAZMWHQVACG-GFCCVEGCSA-N 333.819 3.833 0 50 EHAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)CC1CC1 15064068 FDHJTWMFRLSYCY-AWEZNQCLSA-N 330.476 3.533 0 50 EHAA O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc2[nH]ncc2c1 15952195 OJOGUDGQVNTPJF-UHFFFAOYSA-N 335.285 3.599 0 50 EHAA Cc1ccc(C)c(C(=O)N(C)Cc2nc(-c3cccs3)no2)c1 16650237 BHXJCUFPSLSLGD-UHFFFAOYSA-N 327.409 3.687 0 50 EHAA Cc1c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)nnn1-c1ccccc1 16650674 BNAULLQRQZJGIF-LBPRGKRZSA-N 340.814 3.720 0 50 EHAA COc1cc(OC)c(C(=O)Nc2nc3ccccc3s2)cc1OC 365317 PRRFYAHJENNXMO-UHFFFAOYSA-N 344.392 3.574 0 50 EHAA O=C(O)c1ccc2[nH]c3c(c2c1)CN(CC1Cc2ccccc2C1)CC3 901588558 UVAQEEXDSALGRT-UHFFFAOYSA-N 346.430 3.639 0 50 EHAA CCn1cc(Cl)cc1C(=O)Nc1cnn(CC)c1C(F)(F)F 905063538 CBPVNJYKOYUPCZ-UHFFFAOYSA-N 334.729 3.649 0 50 EHAA C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1ccc(-n2cccc2)nc1 1266629257 XLKKSMKAHMRVAA-YWZLYKJASA-N 331.419 3.926 0 50 EHAA CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CSc1nncs1)C2 952994547 RDLJDJPGFWHAEA-RYUDHWBXSA-N 341.502 3.808 0 50 EHAA C[C@@H](NC(=O)c1ccc(CCC(N)=O)cc1)c1cccc2ccccc12 1875259200 NEYRWYOEQQZIDF-OAHLLOKOSA-N 346.430 3.749 0 50 EHAA O=C(C[C@@H](Cc1ccccc1)C(=O)O)Nc1cnc2ccccc2c1 1875360700 GORKZWBHMNYAOO-MRXNPFEDSA-N 334.375 3.507 0 50 EHAA O=C1CN(C(=O)c2ccc3c4c(cccc24)CC3)c2ccccc2N1 4717151 UTNYDARXHAPBCD-UHFFFAOYSA-N 328.371 3.537 0 50 EHAA Cc1cccc(N2CCC(N3[C@H]4CC[C@@H]3C[C@@H](CO)C4)CC2)c1C 2100544872 MMOADPMVFMSYPA-VJDPLVQDSA-N 328.500 3.508 0 50 EHAA Cc1cnc2ccc(C(=O)O[C@@H]3C[C@H](c4cccnc4)C3(C)C)cn12 2325855596 HIECNGADEIWDFL-IAGOWNOFSA-N 335.407 3.777 0 50 EHAA CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccccc1C 266459 KQCJPBCYDYWBHO-UHFFFAOYSA-N 347.436 3.813 0 50 EHAA CC1CCN(C(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 266567 QNZDQWAFRXHVGP-UHFFFAOYSA-N 336.435 3.740 0 50 EHAA CCC(=O)c1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 293296 ZLNYMOIGKUSYMK-UHFFFAOYSA-N 344.363 3.524 0 50 EHAA biogenic O=C(N/C(=C/c1ccco1)C(=O)N1CCCCCC1)c1cccs1 337311 KLCZTGVLRSMQTI-FYWRMAATSA-N 344.436 3.515 0 50 EHAA CC(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 467369 QCQWCDXVGWKAQD-UHFFFAOYSA-N 330.350 3.527 0 50 EHAA COc1cccc(OC)c1C(=O)NCc1ccc(Cl)c(Cl)c1 484414 INKHQNVPQQJKAL-UHFFFAOYSA-N 340.206 3.941 0 50 EHAA O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 534282 DAIWBMZPSVQRCH-IBGZPJMESA-N 335.403 3.562 0 50 EHAA O=C(c1ccc(NC(=S)NC2CCCCC2)cc1)N1CCCCC1 610198 WFPKGHGXDMMIKQ-UHFFFAOYSA-N 345.512 3.932 0 50 EHAA CCOC(=O)Nc1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1 613864 AGJGVJQIJQWBAK-UHFFFAOYSA-N 344.367 3.525 0 50 EHAA COc1cc(OC)c(OC)cc1CN[C@@H]1CCCc2ccccc21 4685495 RKUIWDOFEHKTTD-QGZVFWFLSA-N 327.424 3.880 0 50 EHAA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 4839829 FEFRJWVFJQKNDP-BMIGLBTASA-N 337.297 3.872 0 50 EHAA COC(CCCC(C)(C)CNC(=O)c1cc(Cl)ccc1O)OC 225400873 CTINBJUGKALOLZ-UHFFFAOYSA-N 343.851 3.591 0 50 EHAA Cc1nc(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)oc1C 225499474 IXEPLILFPMCBGO-GJZGRUSLSA-N 340.345 3.618 0 50 EHAA COC[C@@H]1CCCN(Cc2c(-c3ccccc3)nc3ccccn23)C1 112989030 KZDUKQGLMXZBNC-QGZVFWFLSA-N 335.451 3.860 0 50 EHAA N#Cc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1 117184183 CGKYVFJFNGREBP-UHFFFAOYSA-N 340.810 3.895 0 50 EHAA CC(=O)Nc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 55543926 WJFBUVJAQMOTFG-UHFFFAOYSA-N 343.858 3.621 0 50 EHAA Cc1ccc(-c2nc(CN3CC[C@@](CO)(c4ccccc4)C3)co2)cc1 463039462 ZQEMJRHFDDXVHU-JOCHJYFZSA-N 348.446 3.786 0 50 EHAA O=C(Nc1ccccc1OC1CCCC1)N1CCN2CCCC[C@H]2C1 171524267 MXWCZSINWLDJSH-INIZCTEOSA-N 343.471 3.710 0 50 EHAA Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 259350 AZRKBXKTSRYIJI-CQSZACIVSA-N 338.835 3.986 0 50 EHAA O=C(Nc1ccccc1)N1CCC2(CC1)OCCc1ccsc12 484911815 WZUZZOLQWDKVMW-UHFFFAOYSA-N 328.437 3.844 0 50 EHAA Cc1cccc(O[C@H]2CCCC[C@@H]2NCc2cn(C(C)(C)C)nn2)c1 480304321 IGXPVWSXKSCTKU-OALUTQOASA-N 342.487 3.821 0 50 EHAA O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1ccc(F)cc1 35476534 DWMYXKKPZFOTDF-MRXNPFEDSA-N 342.370 3.966 0 50 EHAA CC(C)c1noc(CN(C)c2cc(-c3ccccc3)nc3ccnn23)n1 72163875 VHCIDRHPAQKIGL-UHFFFAOYSA-N 348.410 3.539 0 50 EHAA COCCC[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2C)C1 77420527 MKPNPOWMEMSIAQ-SFHVURJKSA-N 327.472 3.819 0 50 EHAA Cc1ccc(-c2ccnc(NCc3cncn3CC(C)C)n2)c(C)n1 71774797 ZKLHXXSBLPHWGK-UHFFFAOYSA-N 336.443 3.620 0 50 EHAA Cc1cc2c(cc1C)[C@H](N(C(=O)/C=C/c1ccncn1)C1CC1)CCO2 369987312 RORPAFIOFUYCKC-MTGFJVSHSA-N 349.434 3.621 0 50 EHAA C[C@H]1CNCC[C@@H]1NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2 262920805 ZHTRQZHGVAMISZ-AOMKIAJQSA-N 348.490 3.695 0 50 EHAA Cc1cc(CN(C)C(=O)c2ccc(-c3sc(C)nc3C)cc2)on1 426674392 WDKUBBKSEWXNES-UHFFFAOYSA-N 341.436 3.996 0 50 EHAA Cc1nc(CN[C@@H]2c3ccccc3CC23CCOCC3)sc1C 290238533 YUFMHNNFXKTQNQ-GOSISDBHSA-N 328.481 3.944 0 50 EHAA Cc1ccc(-c2cc(CN3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)on2)cc1 294193746 GKCCMNDAZGKXGJ-MNEFBYGVSA-N 340.423 3.868 0 50 EHAA Clc1cccc(-c2ccc(Cn3cc([C@@H]4CCOC4)nn3)o2)c1 91664479 HWXQBMQUIJOOMM-CYBMUJFWSA-N 329.787 3.744 0 50 EHAA CCS[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Cn2ccnc2)c1 267400795 MWLDAEHPVTXUPM-QZTJIDSGSA-N 343.496 3.726 0 50 EHAA Cn1nc2c(c1C(=O)N1CCCCC[C@@H]1c1ccco1)CCCC2 299775086 JTYSTHMWQIQPIU-MRXNPFEDSA-N 327.428 3.649 0 50 EHAA FC(F)(F)[C@H]1CCN1Cc1nnc(-c2cc3c(s2)CCCC3)o1 408519030 SZMXCAYXOFRODQ-GFCCVEGCSA-N 343.374 3.814 0 50 EHAA Fc1ccc(CC2(CNCc3c[nH]nc3-c3cccnc3)CC2)cc1 271538398 SGAGKBYBXBBBFW-UHFFFAOYSA-N 336.414 3.723 0 50 EHAA CCO[C@@H]1C[C@@H](NC(=O)C2CCC(n3cccc3)CC2)C12CCC2 170638857 NBKSVVBLRAPAGW-OPQOLIRYSA-N 330.472 3.683 0 50 EHAA CCCn1cc(N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cn1 186322225 RPQCCBLWFWVDBY-LBPRGKRZSA-N 329.379 3.964 0 50 EHAA COc1cnccc1[C@H](C)NC(=O)N(Cc1cccs1)C1CC1 187505918 VDXDQSZTJMQJMT-LBPRGKRZSA-N 331.441 3.587 0 50 EHAA CCCOCCNC(=O)[C@@](C)(Nc1ccc(C)cc1)c1ccccc1 1506403990 ANYSKISGKHHQJL-NRFANRHFSA-N 340.467 3.865 0 50 EHAA COC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CC[C@H](C)C2 442556 AZCQXZSAIAFNNL-IOCXFXADSA-N 345.420 3.904 0 50 EHAA O=C(COc1ccc2cc(Br)ccc2c1)N1CCCC1 4841551 ROWAOESABGMPMG-UHFFFAOYSA-N 334.213 3.604 0 50 EHAA COc1ccc(-c2nc(CN3CCCC[C@H]3CCO)c(C)o2)cc1C 12027349 HUXPGTPXQYKVSZ-KRWDZBQOSA-N 344.455 3.704 0 50 EHAA C[C@H]1CN(CCOc2cccc(Oc3ccccc3)c2)C[C@@H](C)O1 13153579 AUKVZJDZUISANR-CALCHBBNSA-N 327.424 3.967 0 50 EHAA COc1cc(CNC[C@H]2CCO[C@@H]2c2ccccc2)cc(OC)c1 328616445 BRZCQSJLKSZXFS-YLJYHZDGSA-N 327.424 3.571 0 50 EHAA CC(C)c1nn(CC[C@H]2CCOC2)c2cncc(Br)c12 1775989754 AKVJNCSEXCUCEP-NSHDSACASA-N 338.249 3.744 0 50 EHAA Cc1conc1CNc1ncc(Br)cc1C(F)(F)F 708233613 GMWVLZAJCWSILG-UHFFFAOYSA-N 336.111 3.771 0 50 EHAA O=C(CCc1csc2nc(C3CC3)cn12)NCc1ccccc1 2325690785 PSKGOGWEEKJAAK-UHFFFAOYSA-N 325.437 3.522 0 50 EHAA O=C(CSc1nnc(-c2ccccc2)o1)OCc1ccccc1 122897 DPRKRDSYDOPUOD-UHFFFAOYSA-N 326.377 3.572 0 50 EHAA CCOC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 154383 LOTMEANLMQXAPB-UHFFFAOYSA-N 339.420 3.590 0 50 EHAA COc1ccc(-c2ccc(=O)n(Cc3cccc(Cl)c3)n2)cc1 264032 QPUTZKJGEVLSHF-UHFFFAOYSA-N 326.783 3.621 0 50 EHAA COC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCCC2 375886 JWROVDJUBHJANF-UHFFFAOYSA-N 333.409 3.957 0 50 EHAA O=S(=O)(c1ccccc1)N1CCS[C@H]1c1cccc(Cl)c1 440651 WOBGLIOGILLRRH-HNNXBMFYSA-N 339.869 3.776 0 50 EHAA COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1OC 1212166 RETGXOXDOSMMIR-UHFFFAOYSA-N 335.787 3.683 0 50 EHAA COc1ccc(OCCCC(=O)Nc2ccc(OC)cc2OC)cc1 1778196 HJKMCSBRFVFDRJ-UHFFFAOYSA-N 345.395 3.510 0 50 EHAA Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 4056791 LHWJCKIKMSTGJC-UHFFFAOYSA-N 341.407 3.872 0 50 EHAA COc1ccc(CNC(=O)CCc2cccc(OC)c2Cl)cc1 4542845 ZAOKZKHHLZLTLW-UHFFFAOYSA-N 333.815 3.606 0 50 EHAA COc1ccc(/C=C2\NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 6850600 RFZAKWJSIXDEIQ-BOPFTXTBSA-N 338.432 3.574 0 50 EHAA CCCCC(=O)Nc1ccc(NC(=O)[C@@](C)(O)c2ccccc2)cc1 55245076 RDDHFKKKIIOIKJ-FQEVSTJZSA-N 340.423 3.662 0 50 EHAA C[C@@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2n1C 118736271 XVXYNNMJSDMQNU-OAHLLOKOSA-N 346.434 3.796 0 50 EHAA CO[C@@H]1CCC[C@H](CC(=O)Nc2ccccc2-n2nccc2C)C1 281590411 NERLBVZUOVJPKM-JKSUJKDBSA-N 327.428 3.715 0 50 EHAA Cc1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)c2ccccc2)[nH]n1 67895962 NENWKAFTHKMUET-LJQANCHMSA-N 344.418 3.830 0 50 EHAA CCc1nc([C@H](C)NC(=O)c2cnc(-c3ccco3)s2)cs1 171913382 PWBYIHFACQFMFX-VIFPVBQESA-N 333.438 3.913 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 329279834 DJBRNKBQHDWKKP-IXDOHACOSA-N 333.476 3.531 0 50 EHAA COc1cc(CN2CCC[C@@H](COc3ccc(F)cc3)C2)ccc1O 72152999 GACWKHPVVFQUIJ-MRXNPFEDSA-N 345.414 3.831 0 50 EHAA CC(C)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(O)c1 281989968 JSLSJTJSXXMQLI-JQHSSLGASA-N 331.456 3.671 0 50 EHAA CCN(c1ccc(C(=O)N2CCCc3cccc(O)c32)cn1)C(C)C 332246014 WQXSYRCELLWALY-UHFFFAOYSA-N 339.439 3.615 0 50 EHAA Cc1noc(C)c1C[C@H](C)NC(=O)Nc1ncc(C(C)(C)C)s1 332341455 SKYXDXXDFMOLAF-VIFPVBQESA-N 336.461 3.798 0 50 EHAA CS[C@H](c1ccccc1)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 71257095 QJGNFZXSUPTQPO-GDBMZVCRSA-N 336.501 3.989 0 50 EHAA Cc1cc(C)cc(C(=O)N2CC[C@H](Cc3cccc(C(=O)O)c3)C2)c1 72137344 NCMUNFYMKQWAKK-QGZVFWFLSA-N 337.419 3.706 0 50 EHAA Oc1ccc(-c2noc([C@H]3C[C@H]3c3c(F)cccc3Cl)n2)cn1 445438762 KWQHDTALBXHELP-ZJUUUORDSA-N 331.734 3.901 0 50 EHAA O=C(NCCCc1ccccn1)c1csc(-c2cccs2)n1 82098521 CEWXJTOKRSVAAG-UHFFFAOYSA-N 329.450 3.629 0 50 EHAA CC(C)CN(Cc1ccsc1)C(=O)NC[C@H](C)Oc1cccnc1 426485588 KGCOIDXYXFOPHD-HNNXBMFYSA-N 347.484 3.778 0 50 EHAA Cc1ccc(-c2cc(C(=O)N(C)CCc3scnc3C)[nH]n2)s1 91914687 MDHSVAACDRSVAB-UHFFFAOYSA-N 346.481 3.526 0 50 EHAA O=C1OCC2(CCN(CC(c3ccccc3)c3ccccc3)CC2)O1 97641885 WHZDFAXMXZZWAJ-UHFFFAOYSA-N 337.419 3.820 0 50 EHAA CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 245253580 IHOSISOMFHBAFK-VDMKFOLZSA-N 327.424 3.510 0 50 EHAA Cc1cc(Cl)c(-c2ccc(C(=O)N3CCOCC3)cc2)cc1F 534585401 SWEVGPKXOJUUDD-UHFFFAOYSA-N 333.790 3.927 0 50 EHAA CCN(C[C@H]1CCCCO1)C(=O)/C=C/c1nc2ccccc2s1 823038080 PKIVZEXTYDWJPB-PLSXKVAHSA-N 330.453 3.727 0 50 EHAA CN(CC[C@H](O)c1ccccc1)Cc1cnn(-c2ccccc2F)c1 670446178 LNUOSNZUZBXBBO-FQEVSTJZSA-N 339.414 3.567 0 50 EHAA CC1=C(c2ccccc2)[C@@H]1C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1 952974452 MJCIOKUOKMSCSF-GOSISDBHSA-N 330.391 3.822 0 50 EHAA Cc1nc(-c2cccc(NC(=O)c3cccc(OC(C)C)c3)c2)n[nH]1 952972070 USJUJELMGWHALC-UHFFFAOYSA-N 336.395 3.820 0 50 EHAA Cc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2C)cc1C 951723486 ULNWIHAINQCQKG-GFCCVEGCSA-N 346.290 3.629 0 50 EHAA CC(C)[C@@H]1C[C@@H](CC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CCO1 272850063 ZXUFWEIAZJOMPU-ZYSHUDEJSA-N 349.446 3.567 0 50 EHAA Cc1c(C(=O)NC[C@@](C)(C(=O)O)c2ccccc2)oc2ccccc12 193071746 JKYMZCHBDFNYHI-HXUWFJFHSA-N 337.375 3.514 0 50 EHAA O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 730838892 WQQOBGOGNBQGCR-SNVBAGLBSA-N 349.761 3.884 0 50 EHAA Cc1ccc([C@@H](O)CNC(=O)CCSc2ccccc2Cl)cc1 762329789 JMGUPWKRVXPYAK-INIZCTEOSA-N 349.883 3.980 0 50 EHAA Cc1c(Cl)cccc1NC(=O)CC(=O)N1C[C@H]2CCC[C@H](C2)C1 1506403901 WRQPOUFDEVODHY-OKILXGFUSA-N 334.847 3.626 0 50 EHAA Cc1ccccc1CN(Cc1cnc(C(=O)O)cn1)C1CCCCC1 1772708908 GJDSRIZXGHEVFB-UHFFFAOYSA-N 339.439 3.818 0 50 EHAA Cc1ccc2ncccc2c1CN1CCC(c2ccn(C)c(=O)c2)CC1 1772807753 UIRUEEFMIYHUOW-UHFFFAOYSA-N 347.462 3.622 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)no1 12314309 UZOCYYBWBIKWQY-CYBMUJFWSA-N 346.814 3.680 0 50 EHAA CC(C)c1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)cs1 12382861 YBJCTHFYWHZFQQ-UHFFFAOYSA-N 346.471 3.969 0 50 EHAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)COc2ccccc2)c1C 12431979 CYIPORNNVCQXGB-MRXNPFEDSA-N 349.434 3.745 0 50 EHAA CCC[C@@H](CC(=O)OCC)NC(=O)c1oc2ccc(C)cc2c1C 12713799 RNYGBUJFIFOGBA-AWEZNQCLSA-N 331.412 3.901 0 50 EHAA CCCN1CCC(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 13327650 PKRPMDAJVZZTDG-INIZCTEOSA-N 346.515 3.742 0 50 EHAA Cc1cccc(C(=O)N[C@@H](NC(C)(C)C)C(Cl)(Cl)Cl)c1 19228715 NVIWTGAZEAERMP-LBPRGKRZSA-N 337.678 3.809 0 50 EHAA COc1ccccc1-c1n[nH]c2c1CN(C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 19790845 JSYHVEIWFWCRKC-XHSDSOJGSA-N 335.451 3.656 0 50 EHAA Cc1cnc(O)c(CNC(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 912169723 ZEJFPISQRZKEQM-SFHVURJKSA-N 339.439 3.826 0 50 EHAA C[C@@H]1c2ccccc2OCCN1C(=O)Nc1noc2c1CCCC2 934350377 YINKNQAZXXSMPE-GFCCVEGCSA-N 327.384 3.541 0 50 EHAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCCC4(CCCCC4)C3)n[nH]c21 1875288838 GDQJULCWRCSZJF-KGLIPLIRSA-N 331.460 3.618 0 50 EHAA Cc1cccc([C@H](CN)C(=O)N2C[C@@H](C)C[C@@H]2c2cccc(F)c2)c1 1875316623 CTIRSBPYQODJTK-RYGJVYDSSA-N 340.442 3.786 0 50 EHAA Oc1ncc(CN2CCOC[C@H]2c2cccc(F)c2)c2ccccc12 1307934315 VHEKZSXFJKNTCB-IBGZPJMESA-N 338.382 3.653 0 50 EHAA Clc1cnn([C@@H]2CCN(Cc3ccn(Cc4ccccc4)c3)C2)c1 2325736237 MFICXRGQNIZBPH-LJQANCHMSA-N 340.858 3.833 0 50 EHAA O=c1cc(O)nc2ccc(-c3ccccc3Cc3ccccc3)cn12 2325821518 VIQVQUWDOCBACJ-UHFFFAOYSA-N 328.371 3.658 0 50 EHAA COc1ccc2ccnc([C@H](C)NC(=O)c3cccc(O)c3C)c2c1 2325842831 JRUBBDPMNJEPAM-ZDUSSCGKSA-N 336.391 3.748 0 50 EHAA CN[C@H](C(=O)Nc1cncc(Cl)c1)c1cccc(Cl)c1Cl 2325850204 OYGOUYZBEKASIZ-ZDUSSCGKSA-N 344.629 3.941 0 50 EHAA CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 29618 YEEAWRFGVWTGNG-UHFFFAOYSA-N 330.236 3.814 0 50 EHAA COc1ccc(C(=O)OCC(=O)n2c(C)c(C)c3ccccc32)cc1 207452 HAFKZJYUGLKASQ-UHFFFAOYSA-N 337.375 3.764 0 50 EHAA Cc1cccc(COc2ccc(C(=S)N3CCOCC3)cc2)c1 303694 PXKDPVPPARMMPA-UHFFFAOYSA-N 327.449 3.582 0 50 EHAA COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1Br 310238 UNVPRHBLYGBCDQ-UHFFFAOYSA-N 342.139 3.988 0 50 EHAA O=C(Nc1cccc(I)c1)c1cccs1 443722 DKTFSZAHMRMLKV-UHFFFAOYSA-N 329.162 3.605 0 50 EHAA COc1ccccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 453889 QWZFGFCIHYMQPF-UHFFFAOYSA-N 328.437 3.945 0 50 EHAA O=C(Cc1ccccc1)NC(=S)Nc1cccc(C(F)(F)F)c1 455820 RGCBDBHTXLKVEG-UHFFFAOYSA-N 338.354 3.761 0 50 EHAA COc1ccc(O[C@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 514494 XJXDEBJKEBGXQE-LLVKDONJSA-N 335.787 3.763 0 50 EHAA COc1ccc(NC(=O)CCCOc2ccccc2OC)c(OC)c1 1892982 DNOFLVVVKZXSPL-UHFFFAOYSA-N 345.395 3.510 0 50 EHAA COc1ccc(C)cc1NS(=O)(=O)Cc1ccc(Cl)cc1 2874797 KKIPMMARWRAOAS-UHFFFAOYSA-N 325.817 3.599 0 50 EHAA c1cn(CCCNc2ncnc3sc4c(c23)CCCCC4)cn1 2994853 DTVVYXHKICYNDP-UHFFFAOYSA-N 327.457 3.659 0 50 EHAA O=C(O)c1cc(Nc2ccccc2)c(C(=O)O)cc1Br 5162472 XEXVUFBWMIYKRM-UHFFFAOYSA-N 336.141 3.589 0 50 EHAA COc1ccc(-c2noc(COc3cccc(Cl)c3)n2)cc1OC 6704657 KOSSOYFIBCPJMM-UHFFFAOYSA-N 346.770 3.986 0 50 EHAA O=C(C1=CCCCC1)N1CCC[C@@](CO)(CCc2ccccc2)C1 12574372 MOHWUNWUSADUJW-OAQYLSRUSA-N 327.468 3.721 0 50 EHAA O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1cccnc1 15723757 OIRSPAHKOSBDKB-UHFFFAOYSA-N 349.781 3.721 0 50 EHAA CC(C)c1ccccc1NC(=O)CN1CCN(c2ccccc2)CC1 55565750 XNMJBZIKMTWAFG-UHFFFAOYSA-N 337.467 3.571 0 50 EHAA O=C(O)c1cccc(-c2cnn(-c3cccc(CN4CCCC4)c3)c2)c1 67847322 PEXWOJGRQXWLJG-UHFFFAOYSA-N 347.418 3.833 0 50 EHAA Cc1nc(CC(=O)N2CCC[C@@H]2c2nc3c(C)cccc3[nH]2)cs1 72424796 CMQMYGBJPWDQDE-OAHLLOKOSA-N 340.452 3.542 0 50 EHAA O=C(c1cccc(F)c1)N1CCC([C@@H](O)CCc2ccccc2)CC1 77337746 HPQHFLZNUPUIRH-FQEVSTJZSA-N 341.426 3.672 0 50 EHAA CC[C@H](NC(=O)c1ccc2nc(C)cn2c1)c1nc(C)c(C)s1 82157240 DDTFARHXCVQWKO-AWEZNQCLSA-N 328.441 3.597 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 91690877 IGFRLYGEIAOWOF-GFCCVEGCSA-N 335.810 3.715 0 50 EHAA COC(=O)c1ccc(-c2noc([C@H]3C[C@@H]3c3ccccc3F)n2)cc1 109618638 NNIOISSHHZZPHE-CABCVRRESA-N 338.338 3.933 0 50 EHAA CC(C)(C)[C@H]1CCCN(C(=O)NC2CCC3(CC2)OCCO3)CC1 116528704 MUOBUTVBROLQBS-HNNXBMFYSA-N 338.492 3.530 0 50 EHAA Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H]1C[C@H]1c1ccco1 122195337 NOAZEZQCZAQYJQ-HUUCEWRRSA-N 335.363 3.913 0 50 EHAA CC(C)[C@H]1CCCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 170635200 ZGMKFKURKWDMGN-ZDUSSCGKSA-N 344.377 3.921 0 50 EHAA O=C(NCC1(CO)CCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 183236199 BEMFVXOQLBKXHI-UHFFFAOYSA-N 342.266 3.694 0 50 EHAA O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc2ccccc2o1 187669391 WGHCZLPTJFLACA-MLGOLLRUSA-N 341.329 3.646 0 50 EHAA COc1ccc2c(c1)[C@H](NCc1cccc(C(N)=O)c1)CCCS2 187725981 VNTDKQMCALMLAG-QGZVFWFLSA-N 342.464 3.511 0 50 EHAA O=C(Cc1noc2ccccc12)Nc1cc2c(cc1Cl)CCC2=O 191814410 UFOJGOXJWXBMJD-UHFFFAOYSA-N 340.766 3.791 0 50 EHAA CC(C)Oc1ccc(I)cc1Br 204780129 HCTZZFXEAXGSTI-UHFFFAOYSA-N 340.986 3.841 0 50 EHAA CC(C)c1cc([C@@H]2CCCN2CCn2c(=O)oc3ccccc32)no1 215362236 VCOYBHYJODLHQS-HNNXBMFYSA-N 341.411 3.543 0 50 EHAA COC[C@@H]1CCN(Cc2ccc(OC)c(OCc3ccccc3)c2)C1 215534043 MHAWKVWLYWFMSZ-LJQANCHMSA-N 341.451 3.743 0 50 EHAA CCCc1nc(CN(CC)C(=O)c2ccc3c(c2)CCCC3)no1 218837183 JTJHZPGWMROTEC-UHFFFAOYSA-N 327.428 3.563 0 50 EHAA Cc1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)o2)s1 223415356 NSUDXENIARIVHW-UHFFFAOYSA-N 332.469 3.811 0 50 EHAA O=C(Nc1ccc(OC2CCCC2)cc1)N[C@@H]1CCN2CCCC[C@@H]12 229746891 ICYYEJIQJICFTO-MOPGFXCFSA-N 343.471 3.756 0 50 EHAA O=C(O)Cc1ccccc1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12 238086954 LLSCCVUOCFYHFJ-DYESRHJHSA-N 335.403 3.546 0 50 EHAA O=C(c1ccccc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 238923535 ONAFYSXUZBYFOI-BURNTYAHSA-N 336.479 3.722 0 50 EHAA COC(=O)[C@@H](c1cccc(Cl)c1)N1CCC=C(c2cccnc2)C1 241707078 QMLVZVFTWBOAGA-GOSISDBHSA-N 342.826 3.738 0 50 EHAA CC(C)n1cnc(C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)c1 242048040 VSFSCMREWVVSTN-UHFFFAOYSA-N 339.395 3.605 0 50 EHAA Cc1nc(CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)oc1-c1ccc(Cl)cc1 245287342 CAMOOUJYOZVHLA-FOLVSLTJSA-N 330.815 3.966 0 50 EHAA CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc2cc(Cl)ccn2n1 253407818 LTBNVTLNHGOOQR-LBPRGKRZSA-N 345.752 3.791 0 50 EHAA O=C(O[C@H]1[C@H]2OC(=O)[C@@H]3C[C@H]1C[C@H]23)c1cc2c(s1)CCCCCC2 253424708 JVSIJTFXJMUGLM-IJNPPISZSA-N 346.448 3.514 0 50 EHAA O=C(O)[C@H]1CC[C@H](C(=O)N2CCC[C@H]2/C=C/c2ccccc2)CC1 253429186 CCVYJVPFPYGVPC-JRKMHLNQSA-N 327.424 3.582 0 50 EHAA O[C@@H](CN1CCC(c2nccs2)CC1)c1ccc(F)cc1Cl 253432091 VTSSTZBBELHTOS-HNNXBMFYSA-N 340.851 3.849 0 50 EHAA Cc1ccc(Br)c(C(=O)NCC[C@H]2CCO[C@H](C)C2)c1 273578173 PAMGIWLTBPAGAW-OLZOCXBDSA-N 340.261 3.693 0 50 EHAA Cc1nccc(-c2cccc(NC(=O)N(C)C3CCSCC3)c2)n1 299761509 TWFPVDUCXIZFRN-UHFFFAOYSA-N 342.468 3.811 0 50 EHAA Fc1cc(-c2ccncc2)ccc1CN[C@H]1CCO[C@@H]1c1cccnc1 375249272 OOWBBMQAWUELGJ-LEWJYISDSA-N 349.409 3.903 0 50 EHAA Cc1cccc(-c2n[nH]cc2CNC[C@]2(O)CCCc3ccccc32)c1 731361075 YSTZHJODTURBLN-JOCHJYFZSA-N 347.462 3.699 0 50 EHAA C[C@@]1(Cc2ccc(Cl)s2)CCCN1C(=O)c1cncc(C=O)c1 885239997 VLCHBEVBZPOEGH-KRWDZBQOSA-N 348.855 3.846 0 50 EHAA COc1nsc2cnn([C@@H](C)c3ccc(C(C)C)cc3)c(=O)c12 899360906 QKGZFPPLTYGKEF-NSHDSACASA-N 329.425 3.594 0 50 EHAA Cc1ccn2c(F)c(C(=O)Nc3c(C)cnn3C3CCCC3)nc2c1 1529171830 DOSQUIJIONKYPL-UHFFFAOYSA-N 341.390 3.654 0 50 EHAA CC[C@@H](C(=O)NC1CCCC1)N(C)Cc1cc2cc(F)ccc2[nH]1 1529173687 PDQVMEBFSNRYEJ-SFHVURJKSA-N 331.435 3.576 0 50 EHAA COc1ccc2[nH]c(C(=O)N3CCC4(C=C(C)CCO4)CC3)cc2c1 1704298624 JWCVMYSRXZDAMZ-UHFFFAOYSA-N 340.423 3.518 0 50 EHAA CCCO[C@H]1CCCN(c2cc(C)c3cc(OC)c(OC)cc3n2)C1 1704308375 PIBSJLWGEXUDTL-HNNXBMFYSA-N 344.455 3.956 0 50 EHAA CC(C)COc1cc(O)cc(C(=O)NCc2cccc3[nH]ccc23)c1 1772814597 JCIOJMPEPSRZIP-UHFFFAOYSA-N 338.407 3.838 0 50 EHAA COC1(CC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)CCCCC1 1875309699 JEJJYSUXBIKSLV-INIZCTEOSA-N 346.471 3.590 0 50 EHAA CCN(C(=O)CC1(CC(=O)O)CC1)[C@H](C)c1cc2ccccc2o1 2325770674 XQNHEMDHBWXTDD-CYBMUJFWSA-N 329.396 3.987 0 50 EHAA Cn1cc(-c2ccccc2COc2ccccc2)c2ncnc(O)c21 2325777015 ZCMONJAHVRBXLS-UHFFFAOYSA-N 331.375 3.920 0 50 EHAA CC(C)(C)c1cncc(COC(=O)[C@@H]2CCc3cc(F)ccc3O2)c1 2325855141 JSVOWBYSIOGYHB-SFHVURJKSA-N 343.398 3.955 0 50 EHAA CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1nc2ncccc2s1 2325858674 WUIOOLHNRMIJCF-INIZCTEOSA-N 338.480 3.650 0 50 EHAA CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(OC)c1 149560 KIYFWGNXTNYRNC-UHFFFAOYSA-N 333.409 3.748 0 50 EHAA COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(F)cc1 191516 FQPFPFUBBUBDOH-AZUAARDMSA-N 338.382 3.704 0 50 EHAA CC(=O)Nc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 268483 RCYJJPRKOGBGPF-UHFFFAOYSA-N 344.440 3.797 0 50 EHAA COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)o1 318943 NYRXGEWPUGAWCK-UHFFFAOYSA-N 342.347 3.677 0 50 EHAA COc1ccc(NC(=O)[C@H](C)SCc2ccccc2)c(OC)c1 379867 QLBCRIGIURRJBK-ZDUSSCGKSA-N 331.437 3.964 0 50 EHAA C[C@H](Oc1ccccc1)C(=O)Nc1nnc(C2CCCCC2)s1 380336 TXBIHLHLFZOQIC-LBPRGKRZSA-N 331.441 3.992 0 50 EHAA Cc1cc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)ccc1Cl 578713 BATWLSNGEUYEJJ-UHFFFAOYSA-N 343.766 3.772 0 50 EHAA Cn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccco1 4807602 FTBIMSVYRQHAGZ-UHFFFAOYSA-N 338.392 3.531 0 50 EHAA O=C(COCc1cc(-c2cccs2)on1)NC1CCCCCC1 6876580 SOVDEWIYMRTWSS-UHFFFAOYSA-N 334.441 3.759 0 50 EHAA Cc1cccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 9230447 OTOYPPAZQLSMCD-OAHLLOKOSA-N 340.423 3.996 0 50 EHAA Cn1nc(C2CC2)c2[nH]c(-c3cnn(-c4ccccc4Cl)c3)nc21 23368501 KDNRTQZILACTNX-UHFFFAOYSA-N 338.802 3.680 0 50 EHAA Brc1ccccc1OCCCCCCN1CCOCC1 23115540 NQTPECCGKYHMAH-UHFFFAOYSA-N 342.277 3.721 0 50 EHAA Oc1cccc(-c2nccn2CCc2nc(-c3ccccc3)no2)c1 67588146 YAAWRMNRWVOUOD-UHFFFAOYSA-N 332.363 3.548 0 50 EHAA CC(=O)c1c(C)[nH]c(C(=O)N2CC=C(c3cccs3)CC2)c1C 117721059 SXSZRYOJKONXKS-UHFFFAOYSA-N 328.437 3.825 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(F)cc2)c(C)c1 20279681 JXKGGSBMWZAAJZ-SFHVURJKSA-N 340.398 3.686 0 50 EHAA CC[C@H](C)c1ccc([C@@H](CC)NS(=O)(=O)c2cnn(CC)c2)cc1 2804132 RUVSDNXXAQHGOL-KBXCAEBGSA-N 349.500 3.846 0 50 EHAA O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N[C@@H]1CCN2CCC[C@H]2C1 252512723 VBKCPDOWRYBTTB-QYZOEREBSA-N 345.462 3.593 0 50 EHAA Cc1ccc(CN(Cc2ccsc2)[C@H]2CC23CCNCC3)nc1 435429031 UPMSIBZCFQTVGY-SFHVURJKSA-N 327.497 3.596 0 50 EHAA CC(C)(C)[C@@H]1CCN(Cc2ccccc2OCC(F)(F)F)C[C@H]1O 242273536 YDNNGSZZQZWIST-HUUCEWRRSA-N 345.405 3.857 0 50 EHAA CSCC1CCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 72478124 LXFDSYAZXCVLAQ-UHFFFAOYSA-N 335.513 3.605 0 50 EHAA CC(C)c1ccc(-c2noc(-c3ccnc(OCC(F)F)c3)n2)cn1 445521103 QFTSSTJEUICUQI-UHFFFAOYSA-N 346.337 3.961 0 50 EHAA c1ccc(-n2cccn2)c(CN2CCCC[C@H]2CCn2cccn2)c1 77554003 TZZIQUAFNWDOMV-IBGZPJMESA-N 335.455 3.514 0 50 EHAA COc1ccc2cc([C@H]3CN(c4cc(C)ncn4)CCO3)ccc2c1 72424212 VZPMJFQGIYUQAM-LJQANCHMSA-N 335.407 3.525 0 50 EHAA CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H]1C[C@H](c2ccccc2C)C1 366822596 QMCBGTWNSHZYHM-XHEHMGPUSA-N 348.446 3.534 0 50 EHAA Cc1ccc2oc(C(=O)N[C@H](CC(C)C)c3ncnn3C)c(C)c2c1 77419429 HBXQJJQJODLILR-OAHLLOKOSA-N 340.427 3.695 0 50 EHAA CC(C)C(=O)c1ccc(-c2cc(NCCO)nc3[nH]ccc23)s1 72146385 MQQZNOSAHWSFCU-UHFFFAOYSA-N 329.425 3.534 0 50 EHAA CC(=O)C1(c2ccccc2)CCN(Cc2ccnc(C(C)C)n2)CC1 72163460 KKGSHPJNLLDAJU-UHFFFAOYSA-N 337.467 3.723 0 50 EHAA O=C(c1ncc(F)cc1F)N1CCCC[C@H]1CCc1cccc(O)c1 220704601 CBQSMMJYUCWZKY-HNNXBMFYSA-N 346.377 3.693 0 50 EHAA Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccc(Cl)s3)CC2=O)cc1 82096393 WRLMIMMTOBOLTN-GFCCVEGCSA-N 348.855 3.587 0 50 EHAA Cc1cccc(C)c1OC[C@H](C)NC(=O)CCc1scnc1C 82109559 TUGQSFSCRKRKMY-AWEZNQCLSA-N 332.469 3.585 0 50 EHAA Cc1ccc(-c2nc(CC[C@H]3CCCO3)n(CC(F)(F)F)n2)o1 96165558 MDKJUXFBPFVTRY-LLVKDONJSA-N 329.322 3.520 0 50 EHAA Cn1ccnc1[C@H]1CCCN(Cc2cc(C3CCCCC3)no2)C1 244816947 SRQFRJOKQWKSEM-INIZCTEOSA-N 328.460 3.835 0 50 EHAA CC(C)(C)OC(=O)NCc1nc(-c2cccc3ccccc23)no1 255188146 IRIVIYHSGQLXRN-UHFFFAOYSA-N 325.368 3.915 0 50 EHAA COc1cc(CN2Cc3cc(C)ccc3O[C@@H](C)C2)cc(OC)c1O 299765553 BSQVXYDLPHLKPA-AWEZNQCLSA-N 343.423 3.501 0 50 EHAA O=C(Cc1cccs1)Nc1ccc(OC[C@H]2CCCCO2)cc1 827855629 OUJLMXNNCPXXKI-MRXNPFEDSA-N 331.437 3.877 0 50 EHAA CC(C)n1ccnc1-c1csc(-c2ccc(S(C)(=O)=O)cc2)n1 408524598 WBPOSXPSLAONEG-UHFFFAOYSA-N 347.465 3.658 0 50 EHAA Cc1ccc(F)c(NC(=O)C[C@H](c2nccn2C)C(F)(F)F)c1 408517644 LFWWOXNRLKAHOD-SNVBAGLBSA-N 329.297 3.542 0 50 EHAA Cc1nn(C)cc1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 189730445 DVZCAKSJYXCRQX-OAHLLOKOSA-N 340.427 3.687 0 50 EHAA Cc1cc(O)ccc1NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 189725536 VMUBGKYAKBJWKA-UHFFFAOYSA-N 339.395 3.581 0 50 EHAA C[C@H](CC(=O)N(C)Cc1ccc(C(=O)O)cc1)c1ccc(F)cc1F 190918552 MDCVTAVNBMIDRV-GFCCVEGCSA-N 347.361 3.815 0 50 EHAA OCCc1ccccc1OCc1cc(Br)ccc1F 225653666 NDMDGPYQYXSJCV-UHFFFAOYSA-N 325.177 3.702 0 50 EHAA CC1=CC2(CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)OCC1 1704339591 NGHSMWZNKWLBMX-UHFFFAOYSA-N 338.407 3.683 0 50 EHAA CCN1CCN(C(=S)c2ccc(OCc3ccccc3)cc2)CC1 5041972 CIWPEZNIMFAPGM-UHFFFAOYSA-N 340.492 3.579 0 50 EHAA CCOC(=O)c1sc(N)c(C(=O)Nc2ccc(C)cc2C)c1C 5672699 LXGRTQORBDRWIK-UHFFFAOYSA-N 332.425 3.685 0 50 EHAA CCc1ccc(CN(C)Cc2nc(Cc3ccccc3F)no2)cc1 11817231 TWIQEHOIKFMMFT-UHFFFAOYSA-N 339.414 3.994 0 50 EHAA O=C(c1ccc(Cl)s1)N1CC[C@@]2(CCCN(CC3CC3)C2)C1 11844458 JAYBJGLHLIZUBX-QGZVFWFLSA-N 338.904 3.740 0 50 EHAA O=C(c1ccccn1)N1CCC[C@H](CCc2ccc(F)cc2F)C1 12464216 MGGNCGNETINZMT-CQSZACIVSA-N 330.378 3.845 0 50 EHAA Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)N2 117123 SSWCOFASPRFALU-INIZCTEOSA-N 343.814 3.718 0 50 EHAA COCc1ccccc1CN[C@H](C)c1ccc2c(c1)OCCCO2 119564473 PEPJDGSUNABLEY-OAHLLOKOSA-N 327.424 3.845 0 50 EHAA C[C@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)C(C)(C)C)C[C@@H](C)O1 241588149 PABXYZGAAPVYDW-MVJTYMMSSA-N 332.488 3.899 0 50 EHAA Cc1cccc(-n2cc(C(=O)Nc3ccc(F)cc3Cl)nn2)c1 132955013 COXMINCRONGULB-UHFFFAOYSA-N 330.750 3.621 0 50 EHAA COc1ccc2c(c1)[C@@H](N)CCN2C(=O)c1ccc(F)cc1Cl 365492999 NUDQWJRDDQBSQC-HNNXBMFYSA-N 334.778 3.538 0 50 EHAA Cc1cscc1C(=O)N1C[C@@H](CO)[C@H](c2ccc(Cl)cc2)C1 365790253 DMAXLQBHEVERNM-ZFWWWQNUSA-N 335.856 3.558 0 50 EHAA CC(C)(C(=O)Nc1ccc2cc(Br)cnc2n1)C(F)F 900671034 HLYKSFNGERAZGZ-UHFFFAOYSA-N 344.159 3.622 0 50 EHAA Cc1ccc(Cc2noc(C[C@@H]3CC(=O)Nc4ccccc43)n2)cc1 903977360 UBPAGHPNNSDYRX-HNNXBMFYSA-N 333.391 3.637 0 50 EHAA CCn1ncc(C)c1NC(=O)c1c(Cl)cccc1OCC1CC1 906033672 UNHSMXFGLPESFE-UHFFFAOYSA-N 333.819 3.906 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@@H](n3ccnc3C)C2)c2ncccc12 932120385 IHTFFCSFGYEBRZ-MRXNPFEDSA-N 334.423 3.525 0 50 EHAA Cc1cc(C(F)(F)F)c(SC2CN(C(=O)OC(C)(C)C)C2)nn1 866083636 UGNQYJRNUCZEQE-UHFFFAOYSA-N 349.378 3.515 0 50 EHAA Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[C@H]32)c2cc(Br)ccc2n1 1875264834 ZHMAWCFTAFEUTJ-IXPVHAAZSA-N 345.240 3.834 0 50 EHAA C[C@@H]1CCc2[nH]nc(C(=O)N[C@@H]3C[C@H]3c3cccc4ccccc34)c2C1 1875320534 SUUHDWFWZOPYBH-ASUYLVSUSA-N 345.446 3.974 0 50 EHAA CC(C)c1ccc(C(=O)N(C)Cc2cc(-c3ccccc3)n[nH]2)cn1 890458220 QIKFLYAWAGEHTI-UHFFFAOYSA-N 334.423 3.867 0 50 EHAA CC(=O)NCCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1 4385673 VLJWUPFUQDYBCW-UHFFFAOYSA-N 335.451 3.887 0 50 EHAA Cn1cc([C@@H]2CCN(C(=O)c3cc4cnccc4o3)C2)c2ccccc21 2325737133 IGZAZAJZNWRCFJ-CQSZACIVSA-N 345.402 3.949 0 50 EHAA CCc1cc(=N)[nH]c(SCCOc2ccc(OC(C)(C)C)cc2)n1 2325843113 VMUQNUHKOJJVGD-UHFFFAOYSA-N 347.484 3.800 0 50 EHAA C1=C(c2ccccc2)CCC[C@@H]1NCc1ccc(-n2cccn2)nc1 2325859903 PDSDURDPLDVZCU-FQEVSTJZSA-N 330.435 3.993 0 50 EHAA CCOC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 189833 LMBHRBWBBNYJBL-UHFFFAOYSA-N 345.449 3.651 0 50 EHAA Cc1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccccc2)c(C)c1 190680 GKORUXPQZAOCSG-HXUWFJFHSA-N 348.402 3.947 0 50 EHAA Cc1ccc(-c2nc(Cn3cnc4ccccc4c3=O)cs2)cc1 8152351 ZMHHMVJUSYBJGV-UHFFFAOYSA-N 333.416 3.877 0 50 EHAA CC(C)OC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O 8613955 AFWDXXAEQSHKGE-UHFFFAOYSA-N 348.402 3.680 0 50 EHAA Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2F)CC1 9062896 YBTYXOKYFKRTOT-UHFFFAOYSA-N 326.415 3.985 0 50 EHAA COc1ccccc1N1CCN(Cc2c(F)cccc2Cl)CC1 55292385 GYANLPFLRDPZDK-UHFFFAOYSA-N 334.822 3.810 0 50 EHAA CN(Cc1ccsc1)C(=O)Nc1nnc(-c2ccccc2)s1 23250835 PNQXTJYWDJWBHH-UHFFFAOYSA-N 330.438 3.931 0 50 EHAA CO[C@H](C(=O)Nc1cccc(CN2CCCCC2)c1)c1ccccc1 61449856 FAPHXTFDXNUSMW-FQEVSTJZSA-N 338.451 3.999 0 50 EHAA Cc1oc(C(C)C)cc1C(=O)NCc1cc(-c2cccnc2)no1 20418662 YJZDFEQUJLFJTM-UHFFFAOYSA-N 325.368 3.691 0 50 EHAA O=C1CCCN1c1cccc(-c2noc([C@@H]3CCC(F)(F)C3)n2)c1 349997991 QZJKZOMRVIHMKZ-GFCCVEGCSA-N 333.338 3.766 0 50 EHAA CC(=O)c1c(F)cccc1N1CC[C@@H](CNc2cccc(C)n2)C1 171365521 CIUVLNRBTMNVSJ-HNNXBMFYSA-N 327.403 3.670 0 50 EHAA C[C@H](C(N)=O)n1cnc(-c2ccccc2)c1-c1ccc(O)c(Cl)c1 65526178 UEKCBCGOKZIPRQ-LLVKDONJSA-N 341.798 3.622 0 50 EHAA Cc1ccc([C@@H](NC(=O)c2cccc3ccnn23)c2ccncc2)cc1 72141602 JWFJWYHSRFVASW-HXUWFJFHSA-N 342.402 3.557 0 50 EHAA O=C([C@H]1CCCc2c1[nH]c1ccccc21)N1CCC(c2ncc[nH]2)CC1 72458096 ZLFCFIGEKLHUEM-KRWDZBQOSA-N 348.450 3.717 0 50 EHAA O=c1[nH]c(/C=C/c2csc(-c3cccs3)n2)nc2cnccc12 151490784 HQDPQLVHHADXHP-ONEGZZNKSA-N 338.417 3.674 0 50 EHAA CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)NC(C)C)C2)cc1 72147066 SBRZBLFOMXRDIB-IBGZPJMESA-N 331.504 3.557 0 50 EHAA CC(C)(C[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1)C(=N)O 332592708 NUUVJQGGGBUIDY-CYBMUJFWSA-N 327.428 3.972 0 50 EHAA Cc1csc(Cn2ccnc2-c2sc(N(C)C)nc2Cl)n1 71763970 OBHYWFBEPSZVRA-UHFFFAOYSA-N 339.877 3.539 0 50 EHAA CC[C@H](CNC(=O)CN(C)[C@H]1CCC[C@@H]1SC)c1ccccc1 241515547 OGFANUUYNQTQGY-NJAFHUGGSA-N 334.529 3.512 0 50 EHAA OCCCCCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71759261 FIRMLHCAAYYCLC-INIZCTEOSA-N 332.271 3.919 0 50 EHAA CCOC(=O)c1c(NC(=O)c2noc(C)c2C)sc2c1CCCC2 13641084 GHPPLSORPSRGSI-UHFFFAOYSA-N 348.424 3.661 0 50 EHAA CC(C)(C)OC(=O)N1CCC[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)O 139784373 WOCFNKDQXQVEJM-KGLIPLIRSA-N 339.819 3.908 0 50 EHAA O=C1CCCc2cc(NCc3cccc4c3OCCCO4)ccc2N1 130431056 NLYLMDSNUJKCDB-UHFFFAOYSA-N 338.407 3.735 0 50 EHAA Cc1c(N2CCCC2)ccc2c1NC(=O)C[C@@H]2c1cc2cc[nH]c2cn1 198158493 MAQRUEKEOOIESW-INIZCTEOSA-N 346.434 3.946 0 50 EHAA COc1cccc(F)c1[C@H](C)NC(=O)N1CCCC[C@H]1c1ncc[nH]1 176018672 DTFRBFYSRJGOTI-JSGCOSHPSA-N 346.406 3.555 0 50 EHAA COCc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)c1 176205739 CNXPDHMOCGNDOM-MRXNPFEDSA-N 343.448 3.772 0 50 EHAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccn(C(F)F)n1 426510286 XZFUHDDTNJDWTR-ZDUSSCGKSA-N 335.354 3.619 0 50 EHAA COc1cccc(-c2ccccc2NC(=O)NCC[C@@H](C)OC)c1 97217645 YPQWPFDUNXKJRY-CQSZACIVSA-N 328.412 3.909 0 50 EHAA Cc1nn(C)cc1CNc1ccnn1Cc1ccc(C(F)(F)F)cc1 161838744 XLKKXZDUCOYKEF-UHFFFAOYSA-N 349.360 3.604 0 50 EHAA O=C(C[C@H]1CCc2ccccc21)NCC1(c2ccccc2)CCOCC1 91444965 CKYYJCLLEUPPEX-LJQANCHMSA-N 349.474 3.971 0 50 EHAA O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCCC[C@@H]1c1ccccn1 91737061 IFCSWUQIIYWTBV-LJQANCHMSA-N 348.406 3.545 0 50 EHAA Cc1cc(C)c2c(Nc3nc4c(s3)c(C)nn4C)nsc2n1 96162777 LEHRCPJDRJTLOE-UHFFFAOYSA-N 330.442 3.703 0 50 EHAA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2[C@@]23CCCC[C@]12CC3 247752391 UEUJJEIJBISRCK-XEFDQGCZSA-N 333.431 3.949 0 50 EHAA CCN(Cc1cccnc1)C(=O)c1ccc(-c2cnn(CC)c2)cc1 534582522 NGARCKBAMVJFPF-UHFFFAOYSA-N 334.423 3.627 0 50 EHAA Cc1nn(C)cc1NC(=O)N(Cc1c(F)cccc1Cl)C1CC1 299793125 KHCMIJGILUZPIN-UHFFFAOYSA-N 336.798 3.718 0 50 EHAA Cc1cc(F)cc(NC(=O)N2CCC(Oc3ccncc3)CC2)c1 299758454 LGHMIXKWACHTAO-UHFFFAOYSA-N 329.375 3.604 0 50 EHAA FC(F)(F)c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)nn1 301856400 RKENZDOUUWXNDL-AWEZNQCLSA-N 336.361 3.572 0 50 EHAA CC(C)Cc1csc2nc(Cc3ccc4cn[nH]c4c3)[nH]c(=O)c12 170616540 KQELACUDQUBSKG-UHFFFAOYSA-N 338.436 3.650 0 50 EHAA COc1cc([C@@H](C)NC2CCC(O)(c3cccnc3)CC2)ccc1F 186334688 ITWOGUZXBYLIGU-FNMUINPESA-N 344.430 3.710 0 50 EHAA O=C(NC1Cc2ccccc2C1)N[C@@H]1CCCOc2cc(F)ccc21 186659933 XWCUJLFMPAETBX-GOSISDBHSA-N 340.398 3.506 0 50 EHAA Cc1ccc2nc([C@@H]3CCCN3c3ncnc4c3CCCC4)[nH]c2c1 675635881 UPQRBRMEGFOSAO-SFHVURJKSA-N 333.439 3.882 0 50 EHAA Clc1ccc(-c2n[nH]cc2-c2nc(-c3ccncc3)no2)s1 194896613 FHZXGMWPMOQNFB-UHFFFAOYSA-N 329.772 3.904 0 50 EHAA CO[C@@H](C)c1nnc(NC(=O)c2oc3cc(C)ccc3c2C)s1 1529180191 CMDAJWPPQNCFJW-JTQLQIEISA-N 331.397 3.861 0 50 EHAA O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@]2(CCC[C@H]2O)C1 1704306909 XRKUFQGGUCQDKY-GDBMZVCRSA-N 326.799 3.638 0 50 EHAA CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 468991 QKBKVMBHMBIZJM-QFGUUYLXSA-N 336.391 3.961 0 50 EHAA CC[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC[C@]1(C)O 213260704 HUHSQQUWYXPELE-VFNWGFHPSA-N 340.467 3.670 0 50 EHAA COc1ccccc1CN1CCC[C@@H](C(=O)c2ccccc2OC)C1 11816407 GGOPXJDIHLBUFA-QGZVFWFLSA-N 339.435 3.799 0 50 EHAA CCN(CC)c1ncccc1CNCc1c[nH]nc1C1CCCCC1 12442961 LVCGPIGYUPLMHQ-UHFFFAOYSA-N 341.503 3.988 0 50 EHAA CCN(CC)[C@@H]1CCN(c2nncc(-c3ccc4ccccc4c3)n2)C1 14967625 RPNUUCCBVBXCIA-LJQANCHMSA-N 347.466 3.612 0 50 EHAA CCCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1 16603051 RGQKUDZLVIUXJR-UHFFFAOYSA-N 328.481 3.659 0 50 EHAA Cc1ccc(-c2nnc(-c3nnn(-c4ccc(F)cc4)c3C)o2)cc1 16622529 XKLXHOGNSDZWBB-UHFFFAOYSA-N 335.342 3.740 0 50 EHAA OC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccc(F)cc1F 1857672475 DZGBNKCCZAFSGL-TYPHKJRUSA-N 343.417 3.923 0 50 EHAA COc1cccc(Cl)c1CN1CCC[C@@H](c2nncn2C2CC2)C1 330031625 BHGUFXXUZKNTMY-CYBMUJFWSA-N 346.862 3.655 0 50 EHAA COc1ccncc1NC(=O)c1c(Cl)cccc1OCC1CC1 903016303 YZGOBFLBCVFJSK-UHFFFAOYSA-N 332.787 3.785 0 50 EHAA CC(=O)c1ccc(Oc2ccc(C(=O)OCCCC(=O)O)cc2)cc1 833401962 WACJWKQMFYFZBN-UHFFFAOYSA-N 342.347 3.703 0 50 EHAA CC(C)(C)n1ncc2c(NC3CCC4(CC3)CC4(F)F)ncnc21 853879048 RVGDOSIDIVZORW-UHFFFAOYSA-N 335.402 3.961 0 50 EHAA O=C(N[C@@H](C(=O)O)[C@H]1CCc2ccccc21)c1ccc2ccccc2c1 1875344810 NFMJTBWVLNZRDL-VQTJNVASSA-N 345.398 3.753 0 50 EHAA CCn1cccc1C(=O)N[C@H]1CCCCN(CC2CC3(CCC3)C2)C1 1875406596 HVZAJUXXPBDPLR-SFHVURJKSA-N 343.515 3.673 0 50 EHAA O=C(c1ncoc1C1CC1)N1CCC[C@]2(C=Cc3ccccc3O2)C1 887789937 CEXDOLLOOLMTLJ-FQEVSTJZSA-N 336.391 3.633 0 50 EHAA O=C(Nc1ccccc1OC(F)(F)F)N1CC[C@H](c2ccon2)C1 1775991515 FYNJTIJFBREZEN-JTQLQIEISA-N 341.289 3.595 0 50 EHAA C[C@H](NCCN1CCCCC1)c1cc(Br)ccc1F 149516278 AXWAWBKEVDBSQZ-LBPRGKRZSA-N 329.257 3.725 0 50 EHAA Fc1cc(F)cc(-c2nsc(N3CC[C@]4(CCCCO4)C3)n2)c1 2325784235 LTEMPAOJSOIHHC-MRXNPFEDSA-N 337.395 3.633 0 50 EHAA N[C@H](c1ccccc1)c1noc(-c2cc(OC3CCCC3)ccn2)n1 2325791762 JBUIKPPJPCLTOO-QGZVFWFLSA-N 336.395 3.501 0 50 EHAA Cc1nc2ccc([C@H](C)N[C@H]3c4ccccc4CC[C@H]3CO)cc2n1C 2325803638 RPFBPWHFUVQXBD-VELBRHGASA-N 349.478 3.828 0 50 EHAA CCn1c(=O)n(CC)c2cc(N[C@H](C)c3ccc4n[nH]cc4c3)ccc21 2325809860 VUKLBFJVOGOBNL-CYBMUJFWSA-N 349.438 3.892 0 50 EHAA O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CCc2cncnc21 2325824525 FKSFVPGHPARRPR-HXUWFJFHSA-N 343.430 3.782 0 50 EHAA CCCOc1ccc(C(=O)NC2C[C@@H](C)N[C@H](C)C2)cc1C(C)C 2325841099 COLMYQKBSZZJAR-HUUCEWRRSA-N 332.488 3.858 0 50 EHAA Cc1cccc(NC(=S)NC(=O)c2cccc(Br)c2)c1 452030 CRTGPSKMLJSASY-UHFFFAOYSA-N 349.253 3.884 0 50 EHAA COc1cc(NC(=O)c2ccc(Br)s2)cc(OC)c1 1002274 ATDVTPUSPLDKNM-UHFFFAOYSA-N 342.214 3.780 0 50 EHAA CCC(=O)NCc1nc2ccccc2n1Cc1c(F)cccc1Cl 1927046 FXANTNCPKBGMND-UHFFFAOYSA-N 345.805 3.903 0 50 EHAA CCCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1OC 2184278 NSPARTVTMCPWJO-UHFFFAOYSA-N 327.380 3.749 0 50 EHAA CCCCn1nc(CC(C)C)c2c(NC[C@@H]3CCCOC3)ncnc21 2356143356 DOWXWFDWZAQPKG-HNNXBMFYSA-N 345.491 3.663 0 50 EHAA Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(C(N)=O)cc1 2742323 GSFUXDATUUWQDY-UHFFFAOYSA-N 346.814 3.545 0 50 EHAA COc1cc(CN2CCCC[C@@H]2c2cccnc2)cc(OC)c1OC 4982696 NTDRGWTXPLNWEF-QGZVFWFLSA-N 342.439 3.835 0 50 EHAA Brc1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 6728868 YOOIRXYRYPKIKP-UHFFFAOYSA-N 345.152 3.895 0 50 EHAA Cc1ccc(-c2noc(CN(C)C(=O)CCc3ccccc3)n2)cc1 7720913 ZCWXQYRNGGWZQS-UHFFFAOYSA-N 335.407 3.636 0 50 EHAA CCN(Cc1ccncc1)C(=O)c1ccc([C@@H](C)N2CCCCC2)o1 55359131 VVJLLPFIAADCLV-MRXNPFEDSA-N 341.455 3.884 0 50 EHAA Cc1ccc([C@H]2C[C@H](C)N(C(=O)CN(C)C(=O)OC(C)(C)C)C2)cc1 225620063 QIVQEMJYPVCYLP-RDJZCZTQSA-N 346.471 3.566 0 50 EHAA Fc1cccc(-c2c[nH]nc2C2CCN(Cc3ccccn3)CC2)c1 67725236 SVWXUNAVYLTEAW-UHFFFAOYSA-N 336.414 3.990 0 50 EHAA CC(C)c1nccc(C(=O)NCc2cccnc2Oc2ccccc2)n1 67872253 PMLYKOJOIJNILF-UHFFFAOYSA-N 348.406 3.717 0 50 EHAA Cc1sc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)nc1-c1ccccc1 67631155 MUCIWSNWQQMRAQ-KBPBESRZSA-N 326.421 3.798 0 50 EHAA CCn1ccnc1CN[C@H]1CCCc2nc(-c3ccccc3)ncc21 12434128 ICMUAWKBLMDMRK-KRWDZBQOSA-N 333.439 3.527 0 50 EHAA CCN(CC(=O)Nc1cccc(OC)c1)Cc1ccc2[nH]ccc2c1 252507858 WVGYLTQRJHVOHN-UHFFFAOYSA-N 337.423 3.637 0 50 EHAA O=C1OCC2=C1[C@H](c1cccc(Cl)c1)CC(=O)N2c1ccccc1 1427880 YLZQHQALMODAEC-HNNXBMFYSA-N 339.778 3.671 0 50 EHAA CC(C)c1nc(Cn2cnc3sc4c(c3c2=O)CCCC4)cs1 32533083 BFVYTQRVHHXCDO-UHFFFAOYSA-N 345.493 3.965 0 50 EHAA CN(C)CC[C@@H]1CCCCN1Cc1cnc(C2CCCCC2)nc1 72453592 SCQWKJGXVBMVQK-IBGZPJMESA-N 330.520 3.831 0 50 EHAA CCOc1ccccc1C(=O)Nc1ccnn1Cc1cccs1 32593357 DGHVAVPANJAJDC-UHFFFAOYSA-N 327.409 3.644 0 50 EHAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)c1 36620877 JKVJDAGSNZFVNQ-KRWDZBQOSA-N 333.428 3.968 0 50 EHAA CCc1nc([C@H](C)NC(=O)N2CCOC[C@H]2c2ccccc2)cs1 369860451 GKIXKWIVCWTRKQ-BBRMVZONSA-N 345.468 3.550 0 50 EHAA Cc1ccc([C@H](NC(=O)CCc2ccnn2C)c2cccs2)cc1 216076550 STFGDVQOFXBUOS-IBGZPJMESA-N 339.464 3.628 0 50 EHAA COc1ccc2[nH]c(C(=O)N3CCC[C@H]3c3c(C)noc3C)cc2c1 219623714 QKJJPSBQHVCZPB-KRWDZBQOSA-N 339.395 3.759 0 50 EHAA C[C@@H](c1ccon1)N(C)Cc1cnc(SCc2ccccc2)nc1 215217304 PTLSBPAQLBLHID-AWEZNQCLSA-N 340.452 3.950 0 50 EHAA CCOc1ccccc1[C@H](CC(C)C)NC(=O)c1cccc(O)n1 282384628 CZEFLOXBGRTBCK-INIZCTEOSA-N 328.412 3.703 0 50 EHAA CCc1cc(N2CCc3ccc(C(F)(F)F)cc3C2)n2nccc2n1 72418474 UMCCZIRFQWNLMD-UHFFFAOYSA-N 346.356 3.873 0 50 EHAA CCC(CC)[C@H](NS(=O)(=O)CC1CCOCC1)c1ccccc1 173027557 KQQKGGGZLYPCLC-SFHVURJKSA-N 339.501 3.510 0 50 EHAA O=C(COCc1ccccc1)N[C@H]1CC[C@H]1NC1CCCCCCC1 72480112 HWONLWFWAYNTEU-UXHICEINSA-N 344.499 3.553 0 50 EHAA O=c1c2ccccc2nc2sc(COc3ccc(Cl)cc3)nn12 17071754 QVZAZFYAPHHFLU-UHFFFAOYSA-N 343.795 3.537 0 50 EHAA CN(CCCOc1cccc(Cl)c1)c1cc([C@H]2CCOC2)ncn1 426494379 KPKLNXSIFGSIEQ-AWEZNQCLSA-N 347.846 3.539 0 50 EHAA Clc1ccccc1-n1cc(CN2CCC[C@H](N3CCCC3)C2)cn1 19792394 SIPCCBYWIGGODP-KRWDZBQOSA-N 344.890 3.586 0 50 EHAA CCC(=O)c1cccc(-c2ccc(C(=O)NC[C@H]3CCOC3)cc2)c1 426509584 WCABLXPNVMQRNL-OAHLLOKOSA-N 337.419 3.713 0 50 EHAA CCC[C@]1(CO)CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 290799210 YAZPKGUYMWSEJP-QFIPXVFZSA-N 337.463 3.830 0 50 EHAA CCNc1ccnc(N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)n1 91818042 BXKWAAFGZJOKKE-QGZVFWFLSA-N 346.438 3.855 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)C1 140424105 PFUUNKWBKRROEO-KGLIPLIRSA-N 339.819 3.765 0 50 EHAA Cc1nc(NCc2nc3ccccc3n2C(C)C)c2c(C)noc2n1 95385235 NEBTVDIMZYVFLV-UHFFFAOYSA-N 336.399 3.777 0 50 EHAA 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194725513 OFPCUUBRANJUTI-UHFFFAOYSA-N 337.427 3.638 0 50 EHAA O=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)N1 563003 CFYYSADLPYCMGW-YRNVUSSQSA-N 336.825 3.733 0 50 EHAA Cc1cc(NC(=O)CCC(=O)c2ccccc2)n([C@H](C)C2CC2)n1 1529107339 ZBUYMZQJVSARCH-CQSZACIVSA-N 325.412 3.764 0 50 EHAA O[C@@H]1CCC[C@]12CCCN(Cc1cc(F)cc(C(F)(F)F)c1)C2 1704335657 CYTAJFJAWGGZDQ-HZPDHXFCSA-N 331.353 3.972 0 50 EHAA O=C(CCc1ccccc1F)Nc1cccc(C2OCCCO2)c1 12375483 WUWAIEUAPGXFIL-UHFFFAOYSA-N 329.371 3.833 0 50 EHAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1ccc(OC)c(F)c1 1857674162 UWNFXDCXSLZRSN-POZUXBRTSA-N 335.419 3.531 0 50 EHAA Cc1cc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)ccc1O 1857686385 TVKNJMKNQGXUJS-ZWKOTPCHSA-N 325.456 3.829 0 50 EHAA CCc1nc(CCNC(=O)c2c(F)cccc2SC)sc1C 225581080 VZDDWALTVZDLAO-UHFFFAOYSA-N 338.473 3.847 0 50 EHAA Cc1c(Cl)c(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)nn1C 421871498 BKNWZGZBLQPSIF-JTQLQIEISA-N 349.784 3.577 0 50 EHAA C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H](C(C)(C)C)c2ccccc21 331533621 OOIRJMYOUWNQLI-XJKSGUPXSA-N 340.423 3.574 0 50 EHAA C[C@@H](c1ccccc1)N1CC[C@@]2(CCN(C(=O)Cc3ccco3)C2)C1 1875362142 SVYHUAKEQOCEIY-LAUBAEHRSA-N 338.451 3.508 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)CC(=O)N1 227586 CRFALNWADJDUSS-GFCCVEGCSA-N 341.329 3.535 0 50 EHAA Cc1ccc(F)cc1NC(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C 2796219 XJUKIACIKOEVHW-SNVBAGLBSA-N 343.324 3.933 0 50 EHAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C)C1 172471 GICSWVIMMBONJL-CYBMUJFWSA-N 325.474 3.548 0 50 EHAA CCc1cc(=O)oc2c(C)c(O[C@@H](C(=O)O)c3ccccc3)ccc12 487404 IPGYKOREVNTCHE-LJQANCHMSA-N 338.359 3.869 0 50 EHAA biogenic Cc1ccc(N[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccccc2)cc1 859090 HPCQMYRPVJZNTR-MOPGFXCFSA-N 344.480 3.697 0 50 EHAA O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cccs1 971383 KVRLJVCIQXIWMN-UHFFFAOYSA-N 336.416 3.930 0 50 EHAA CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2C1=O 1165187 RJZKOPOMQUXTSB-UHFFFAOYSA-N 336.391 3.678 0 50 EHAA Clc1cc(CN2CCCC2)ccc1OCc1ccc2c(n1)NCC2 2356161731 HCQPXWYKZMVRAU-UHFFFAOYSA-N 343.858 3.878 0 50 EHAA COc1cc(NC(=O)c2ccc(F)cc2)ccc1NC(=O)C(C)C 2841677 MQBRAPDPQMMCHN-UHFFFAOYSA-N 330.359 3.681 0 50 EHAA CC(C)CC(=O)Nc1cccc(NC(=O)c2cccc(C(=O)O)c2)c1 2880681 KIHGMUHUHNCXDL-UHFFFAOYSA-N 340.379 3.622 0 50 EHAA COc1ccc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)cc1 3903052 DRGLRSGHDXOWKO-QFULKBQASA-N 328.368 3.890 0 50 EHAA CCOc1ccccc1-c1noc(CCC(=O)NC2CCCCC2)n1 4488214 WGHUSTBQRCKYEY-UHFFFAOYSA-N 343.427 3.517 0 50 EHAA O=C(Nc1ccccc1I)c1cccc(F)c1 4842834 FNVISJXGICVCHU-UHFFFAOYSA-N 341.123 3.683 0 50 EHAA Cc1ccc(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 4850531 FSASWPWKEONPTP-UHFFFAOYSA-N 341.798 3.557 0 50 EHAA CCOc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1OC 4911785 XOXWIZVBUMOZAS-UHFFFAOYSA-N 342.439 3.543 0 50 EHAA CC(C)Oc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 6698118 JXSWZICNNRJQIE-UHFFFAOYSA-N 342.414 3.575 0 50 EHAA O=C(c1ccc(F)cc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 6729973 JRFWPIUEJFMSSO-UHFFFAOYSA-N 342.458 3.552 0 50 EHAA COc1ccc(-c2nnc(NC(=O)[C@@H](C)c3ccccc3)s2)cc1 9879719 OSHSEKOUOFWZHX-LBPRGKRZSA-N 339.420 3.956 0 50 EHAA Cn1ccnc1[C@H](NC(=O)CSCc1ccccc1Cl)C1CC1 55401761 IGWLOZBKPDLICE-MRXNPFEDSA-N 349.887 3.574 0 50 EHAA CCc1ncc(CNCc2cccnc2Oc2ccccc2C)cn1 55133805 XMBHAVDQRRNIRQ-UHFFFAOYSA-N 334.423 3.825 0 50 EHAA CC(C)c1ocnc1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 67724881 JADYBFCLLDITKY-CQSZACIVSA-N 334.803 3.665 0 50 EHAA Cc1nc(CN)cc(N(C)Cc2sc3ccccc3c2Cl)n1 67842706 FFJKHFBTRDCCNJ-UHFFFAOYSA-N 332.860 3.748 0 50 EHAA CC(C)(C)CN1C(=O)C2(CCN(CC3CC3)CC2)Nc2ccccc21 63846475 HSROPEMNESUPSP-UHFFFAOYSA-N 341.499 3.736 0 50 EHAA Cc1ccc(-c2ccnc3nc(N4CCC(C)CC4)[nH]c(=O)c23)cc1 67320747 JIXQQCIUMBITNO-UHFFFAOYSA-N 334.423 3.530 0 50 EHAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)O)c1cccs1 252486169 GFMAPRHJICAGKC-GRYCIOLGSA-N 335.450 3.554 0 50 EHAA Cc1ccc(Cn2ccc(NC(=O)c3ccc(F)c(F)c3)n2)cc1 2753833 GZHJUVAEQBUGDI-UHFFFAOYSA-N 327.334 3.770 0 50 EHAA COc1cccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C(C)C)cc2)c1 4089479 OBBKXDRLZIHHQZ-SFHVURJKSA-N 341.407 3.764 0 50 EHAA COc1cc(Cl)cc(CN(C)CCC[C@H]2CCCO2)c1OC 215831543 CCPSZFHLBJGEPQ-HNNXBMFYSA-N 327.852 3.748 0 50 EHAA CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2cnn([C@@H]3CCCNC3)c2)CC1 333283536 MXBQFZYGHRDCTB-KZNAEPCWSA-N 346.519 3.532 0 50 EHAA CCC(=O)Nc1ccc(-n2ccnc2-c2ccccc2C(=O)O)c(C)c1 77378806 FQRJNHNHSYOAMZ-UHFFFAOYSA-N 349.390 3.894 0 50 EHAA CC[C@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1cccs1 241720952 QTPHZYPCBNFQIZ-WBVHZDCISA-N 328.481 3.951 0 50 EHAA Cc1ccc2nc(C(=O)N(C)Cc3cc4cc(F)ccc4[nH]3)cn2c1 91746814 GLRKZVZRBNGWJT-UHFFFAOYSA-N 336.370 3.535 0 50 EHAA COc1nc(C)c(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)s1 91663482 DHGQTVJUWIJUMA-UHFFFAOYSA-N 348.443 3.694 0 50 EHAA CC(C)c1nc(CCNC(=O)Nc2ccc3c(c2)COC3)cs1 92164143 QWXJFAHEWHVJCM-UHFFFAOYSA-N 331.441 3.661 0 50 EHAA COc1cccc([C@@H]2CCN2C(=O)c2nc(-c3ccccc3)[nH]c2C)c1 97657338 INLWCNYPVYVPND-SFHVURJKSA-N 347.418 3.981 0 50 EHAA COc1cccc(-c2cc(CNC(=O)c3cccn3C(C)C)no2)c1 240971665 UASXRJKXMFTVEG-UHFFFAOYSA-N 339.395 3.663 0 50 EHAA CCCC[C@H](NC(=O)Cn1nc(C)c(CC)c1C)c1cccnc1 670468158 SCGBGRHPQNADQW-SFHVURJKSA-N 328.460 3.505 0 50 EHAA O=C1C[C@@H](CNCc2ccc(-c3cccnc3)cc2)CN1C1CCCC1 952991292 NCRLVUPNDHESQD-SFHVURJKSA-N 349.478 3.629 0 50 EHAA c1csc(CN2CCC[C@@H](NCc3ccc4[nH]ccc4c3)C2)c1 952868800 AXCFIKJQODGHKW-QGZVFWFLSA-N 325.481 3.984 0 50 EHAA CC(C)(C)c1ncsc1C(=O)Nc1ccncc1Br 270378220 UUSQENUKWSXRQL-UHFFFAOYSA-N 340.246 3.850 0 50 EHAA COc1ccsc1C(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273310105 OXAAVWFOYXGWDV-HOCLYGCPSA-N 349.427 3.888 0 50 EHAA CO[C@H](C)c1nc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cs1 275524211 BTMBLFNFFQQFGF-MLGOLLRUSA-N 346.500 3.790 0 50 EHAA N[C@@H]1CC[C@@H](C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)C1 170048979 RTXWLOMAYYPZNO-ZIAGYGMSSA-N 346.377 3.501 0 50 EHAA CC(C)[C@@H](N)C(=O)NCc1ccccc1COc1ccccc1Cl 170673856 DAMCIRWFIOTRJS-GOSISDBHSA-N 346.858 3.519 0 50 EHAA CC(=O)c1cccc(NC(=O)Nc2ccc(Br)cn2)c1 610401 YYLXYCHGRAKBEH-UHFFFAOYSA-N 334.173 3.691 0 50 EHAA CCCCN(Cc1cccnc1)C(=O)c1ccc(C(C)C)nc1O 1506418289 GYBBUJOKKLJRFW-UHFFFAOYSA-N 327.428 3.748 0 50 EHAA OCc1ccc(CN2CCC[C@H](CCc3ccc(F)c(F)c3)C2)o1 11873126 LXCMFSSPPVNOKP-OAHLLOKOSA-N 335.394 3.895 0 50 EHAA CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCC 13881008 AKZMIOVCDXVZKY-WQLSENKSSA-N 341.816 3.804 0 50 EHAA CN(CCC1CCOCC1)Cc1nc(Cc2ccccc2Cl)no1 14949778 CMHCETDOQDDUNK-UHFFFAOYSA-N 349.862 3.562 0 50 EHAA C[C@@H](C(=O)N(C)c1ccccc1)[S@@](=O)CC=Cc1ccccc1 1857533327 WWDZHQMKCMFATR-HJPURHCSSA-N 327.449 3.500 0 50 EHAA O=C(c1ccccc1F)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212720566 PZLFMQXXRCFLLF-NQIIRXRSSA-N 349.405 3.970 0 50 EHAA CC(C)c1nnc(CNC(=O)N2C[C@H](c3ccccc3)C[C@H]2C)s1 241846650 SMPBOMGOYGTICB-UKRRQHHQSA-N 344.484 3.749 0 50 EHAA CC[C@@](CNC(=O)c1cccc(C)c1Cl)(C(=O)O)c1ccccc1 263093165 VSDWQPACYPWOBO-IBGZPJMESA-N 345.826 3.811 0 50 EHAA FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2ccsn2)no1 904083540 LMLGHNHVZTWPQM-BXKDBHETSA-N 335.335 3.546 0 50 EHAA O=C(Cc1ccccc1Cl)Nc1ccc(Br)cn1 16580286 RHQMYLFVYONMRK-UHFFFAOYSA-N 325.593 3.679 0 50 EHAA Cc1c(F)cccc1C(=O)NCCc1nc(-c2ccccn2)cs1 1292975870 JVWFJJWPIFPZAU-UHFFFAOYSA-N 341.411 3.625 0 50 EHAA CC(C)Oc1cccnc1NS(=O)(=O)c1ccccc1C(F)F 1875279813 FOPZRRUMEQIBQS-UHFFFAOYSA-N 342.367 3.607 0 50 EHAA C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc(F)c1 1875265185 UQXWEDWFOZSAPT-NSHDSACASA-N 327.334 3.846 0 50 EHAA C[C@]1(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)CCC[C@@H]1O 1875338760 KSBUNHVFYRHWAW-UNMCSNQZSA-N 348.446 3.723 0 50 EHAA CCO[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3Cl)nc2)C1 885341215 CGJNXMKLLKCYMC-AWEZNQCLSA-N 346.814 3.778 0 50 EHAA CCOCCCC(=O)Nc1c(F)cccc1NC(=O)OC(C)(C)C 1177517897 KXHGSERLZLVUJO-UHFFFAOYSA-N 340.395 3.928 0 50 EHAA O=C1CCC[C@H](c2cccc(NCc3cc(O)cc(Cl)c3)c2)N1 896069806 FLBDNKRLTCLGKJ-QGZVFWFLSA-N 330.815 3.999 0 50 EHAA CCc1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)c(O)n1 1775994194 XRLAULLEZYPTHH-DOTOQJQBSA-N 339.439 3.543 0 50 EHAA Cc1ccc(-n2nnc(-c3nc(-c4ccccc4)cs3)c2N)cc1 16651628 AFSHRTNRBDLHIG-UHFFFAOYSA-N 333.420 3.948 0 50 EHAA COCc1ccc(C(=O)N2CC[C@@H]2c2cccc(Br)c2)[nH]1 2325779809 DWOPSXAFBFWZQU-OAHLLOKOSA-N 349.228 3.511 0 50 EHAA c1ccc(-n2nccc2CNc2ccc(C3CCNCC3)cc2)cc1 2325809891 XVLHIDOHPIBDIX-UHFFFAOYSA-N 332.451 3.951 0 50 EHAA C[C@@H](NC(=O)Cc1cnc(C2CC2)[nH]1)c1csc2ccccc12 2325816570 AXUKRPFIJBCXEI-LLVKDONJSA-N 325.437 3.922 0 50 EHAA Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)cc1 226863 BRZQPRHKSQMCSZ-NEPJUHHUSA-N 325.290 3.550 0 50 EHAA COc1ccc(OC)c(NC(=S)Nc2ccc(OC)cc2OC)c1 307157 YZGLHROMBZAMTL-UHFFFAOYSA-N 348.424 3.530 0 50 EHAA CCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1 341936 TWZSMTCJFJNSAC-UHFFFAOYSA-N 341.436 3.552 0 50 EHAA COC(=O)c1ccccc1NC(=O)c1ccc(OCC(C)C)cc1 859584 FBKDECASHOOOGQ-UHFFFAOYSA-N 327.380 3.760 0 50 EHAA O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccccc2)CC1 1055540 BUOYSSYDTYASEI-UHFFFAOYSA-N 335.234 3.956 0 50 EHAA CCc1noc(C)c1C(=O)Nc1cccc(Cn2cc(Cl)cn2)c1 2872514 ZHEBVHGJCAGMHR-UHFFFAOYSA-N 344.802 3.696 0 50 EHAA COc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1OC 3249079 KFEMWMVTSJFIRT-UHFFFAOYSA-N 338.363 3.920 0 50 EHAA COc1ccccc1/C=C1\SC(=N)N(c2ccc(F)cc2)C1=O 3903061 LKOHHDUVXNYOKT-QFULKBQASA-N 328.368 3.890 0 50 EHAA O=C(NCCc1nc2ccccc2n1Cc1ccccc1)c1ccco1 4386803 BUVQCAHDOJVABG-UHFFFAOYSA-N 345.402 3.650 0 50 EHAA Cc1nc(SCC(=O)NCc2ccccc2)[nH]c1-c1ccccc1 6700562 YLCQAIZAGTYVRH-UHFFFAOYSA-N 337.448 3.794 0 50 EHAA CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc(C)s2)c1 414482192 MOAKSRBCUYDZBH-UHFFFAOYSA-N 343.901 3.793 0 50 EHAA COc1cccc(SCC(=O)N2CCCC[C@@H]2c2nccs2)c1 115364803 SEAXELLSEUFFJS-OAHLLOKOSA-N 348.493 3.998 0 50 EHAA c1cncc(CN2CCc3[nH]cnc3[C@@H]2c2ccnc3ccccc23)c1 67755517 DYNXBUMRNYERBP-NRFANRHFSA-N 341.418 3.501 0 50 EHAA O=C(Nc1ccc(Cl)cc1Cl)c1nn2cccnc2c1Cl 2790684 LXCVFYHKDABBEQ-UHFFFAOYSA-N 341.585 3.942 0 50 EHAA CCc1noc(C)c1C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 77287696 WLALIBGYUBEQIR-AWEZNQCLSA-N 346.402 3.616 0 50 EHAA O=C(c1ccc(CO)cc1)N1CCCC[C@@H]1CCc1cccs1 77554029 CIWVWNPXNHKVND-QGZVFWFLSA-N 329.465 3.868 0 50 EHAA Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1cnc(C2CCCC2)s1 328635036 NCIZCEBKJWVQGQ-HOTGVXAUSA-N 346.500 3.544 0 50 EHAA Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)c12 253396242 MIKFGQNPSNGWFX-UHOSZYNNSA-N 340.467 3.561 0 50 EHAA O=C(c1ccccc1)[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 77406592 LXPBBASZZYLPKO-FQEVSTJZSA-N 333.431 3.910 0 50 EHAA O=C(N[C@H](CCO)Cc1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 253430721 XOJMHLAIXANECN-MTQWCTHYSA-N 329.484 3.703 0 50 EHAA Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccc(C)s3)C2)n1 257365874 XXMQLBSYGWGAMA-ZACQAIPSSA-N 343.496 3.837 0 50 EHAA CC(=O)c1cc(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)c(C)nc1C 362404520 SPYRFSCXEIXPOL-YUNKPMOVSA-N 336.435 3.954 0 50 EHAA CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)Nc1ccncc1 261460499 LUCKJUXMIGJQCZ-MRXNPFEDSA-N 331.391 3.836 0 50 EHAA COc1ccc(C)cc1NC(=O)N1CCC[C@@H]1c1c(C)noc1C 33270567 UCXXKZDCJAXITE-OAHLLOKOSA-N 329.400 3.977 0 50 EHAA c1cc(CN2CCN(c3cccnc3)CC2)cc(OC2CCCC2)c1 215043463 VNYDWANQDHUWMU-UHFFFAOYSA-N 337.467 3.725 0 50 EHAA Cc1nc2ccc(CNC(=O)Cc3ccc(F)cc3Cl)cc2[nH]1 215676442 ZRRVXAUTEMROLS-UHFFFAOYSA-N 331.778 3.523 0 50 EHAA COc1cccc(-c2noc([C@@H](C)NCc3cc(F)ccc3F)n2)c1 174656706 ATZZHDHSRMAPFV-LLVKDONJSA-N 345.349 3.874 0 50 EHAA CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)OCc2ccccc2)CC1 71787922 OZDJHIOXQZWYAS-INIZCTEOSA-N 348.443 3.702 0 50 EHAA CN1CCC(Oc2ccc(CNC(=O)Nc3ccsc3)cc2)CC1 285761106 MAQXOOLPUWNUIO-UHFFFAOYSA-N 345.468 3.543 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NCCC1=CCCCC1 229850181 ZTUAJOYALITIFU-XYVMCAHJSA-N 331.456 3.686 0 50 EHAA O=C(Nc1cccc2[nH]ccc12)N(CCO)[C@@H]1CCc2ccccc21 175365352 SFPPNWFZCPCGGQ-LJQANCHMSA-N 335.407 3.682 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@H](c2ccccc2Cl)C1 82109241 JVUKIBRARUHESX-OAHLLOKOSA-N 345.874 3.639 0 50 EHAA CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCC[C@H]3C)cc2)n1 48121671 HEYABQGGSOWWRI-OAHLLOKOSA-N 325.456 3.764 0 50 EHAA COc1ccc(-c2ccc(CC(=O)N(C)C)cc2)c2ccc(C)nc12 426581302 QXIOIBCXRRENDU-UHFFFAOYSA-N 334.419 3.850 0 50 EHAA N=c1oc2ccc(Cl)cc2cc1C(=O)NCc1ccc(F)cc1 20457891 QTNPYYCNRBAHMY-UHFFFAOYSA-N 330.746 3.635 0 50 EHAA Cc1ccc(SC2CCN(C(=O)[C@H]3CCCCCN3C)CC2)cc1 97294934 OWJXCXPYVQASCJ-LJQANCHMSA-N 346.540 3.953 0 50 EHAA CCOC1(C)CCN(C(=O)N[C@@H](c2ncccc2C)C(C)C)CC1 293083205 SPCSJTXPPMHBAQ-MRXNPFEDSA-N 333.476 3.688 0 50 EHAA O=C(c1ccc2nccn2c1)N1CCCC[C@H]1CCc1ccc(O)cc1 91873091 GQRNBQRRBMSJPB-SFHVURJKSA-N 349.434 3.667 0 50 EHAA CC1(C)[C@H](NC(=O)Nc2cccc(-c3nccs3)c2)[C@H]2CCO[C@H]21 230096533 UJRDTAAVFPTGDA-RBSFLKMASA-N 343.452 3.745 0 50 EHAA CC[C@@H](C)Oc1ccc(CNC(=O)c2ccc(C(C)C)[nH]c2=O)cc1 97732996 YODKPUQLJOEGCF-CQSZACIVSA-N 342.439 3.606 0 50 EHAA CCc1nccn1CCNC(=O)c1ccc(-c2ccccc2Cl)o1 91391155 QMCLPLDFUJAPEO-UHFFFAOYSA-N 343.814 3.789 0 50 EHAA O=C(c1cccc(O)c1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 182443587 QWQHDJSRFNYCQU-QGZVFWFLSA-N 347.418 3.802 0 50 EHAA CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1ocnc1C1CC1 1353286691 XFUPGGWDQQGZGH-LLVKDONJSA-N 345.468 3.796 0 50 EHAA Cc1cc(C)c2c(C(=O)Nc3cnc4n3CCCC4)cc(C)nc2c1 67894916 AZWIYNIWEJSZNG-UHFFFAOYSA-N 334.423 3.945 0 50 EHAA C[C@@](CC(=O)O)(C(=O)Nc1ccc2cn[nH]c2c1)C1CCCCC1 169975481 JMIZWBYTMAHJEU-SFHVURJKSA-N 329.400 3.563 0 50 EHAA CC[C@H](SC)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 189844623 WFCDSUOYZWGZNR-ZDUSSCGKSA-N 332.391 3.645 0 50 EHAA O[C@@H](c1ccccc1)[C@H](NCc1nnc(C2CC2)o1)c1ccccc1 794659682 UYJVPQKREWFNOO-MOPGFXCFSA-N 335.407 3.512 0 50 EHAA C[C@H](CCO)N1CCC(C)(c2ccc(Br)cc2)CC1 1875334299 IUWKGWSBSCHFGH-CYBMUJFWSA-N 326.278 3.574 0 50 EHAA O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775977860 KHFIAMBYKZQWMG-DOFRTFSJSA-N 348.752 3.593 0 50 EHAA CN1CCC(CN(CCc2ccccc2)C(=O)[C@H]2CC=CCC2)CC1 12208888 WAAYBUDUCUKNEK-NRFANRHFSA-N 340.511 3.756 0 50 EHAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc2c(c1)OCO2 12380686 GQVLVYWMVQFAPB-CQSZACIVSA-N 349.386 3.652 0 50 EHAA Cc1ccccc1-c1noc(CNC(=O)c2ccccc2Cl)n1 13495391 MONBBAVTEWLWPJ-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA O=C1[C@@H]2C[C@@H](CN2Cc2ccc(F)c(F)c2)N1c1ccccc1Cl 14990068 CLYQLFZVVKRPOJ-SJCJKPOMSA-N 348.780 3.608 0 50 EHAA Cc1ccc(C)c(NC(=O)Cc2noc(-c3ccccc3F)n2)c1 16577133 ABSFHNRIVKUSCS-UHFFFAOYSA-N 325.343 3.674 0 50 EHAA O=C(O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 2560009 ULLSWWGYZWBPHK-UHFFFAOYSA-N 339.391 3.780 0 50 EHAA in-vitro O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCC(OC2CCC2)CC1 416262449 XZLBPNPDFQESAQ-UHFFFAOYSA-N 342.414 3.995 0 50 EHAA Cc1ccc(CNc2nccc(C(C)(C)C)n2)c(N2CCCC2)n1 814870810 AMQNYTHVWDHXPO-UHFFFAOYSA-N 325.460 3.690 0 50 EHAA Cc1nocc1NC(=O)N[C@@](C)(c1ccc(F)cc1)C(F)(F)F 933549210 DQPJJBJTGMBRKG-ZDUSSCGKSA-N 331.269 3.721 0 50 EHAA Cc1cc(C)cc([C@H](O)CSc2n[nH]c3nc4ccccc4n23)c1 1875264604 CFCSJOYOHLXXRE-MRXNPFEDSA-N 338.436 3.653 0 50 EHAA CO[C@@]1(c2nnc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)CCOC1 886085232 BDMXRJFOTXVURS-ZDUSSCGKSA-N 348.708 3.671 0 50 EHAA Oc1nc2cccc(CN3CC[C@]4(CCc5ccccc5O4)C3)c2o1 894537952 LFPSRSOGXKPMHA-HXUWFJFHSA-N 336.391 3.503 0 50 EHAA CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)[C@@]13CCCC[C@@H]1C3)C2 1775990134 CWRILCUGPHTMIX-ZIKOTGLESA-N 346.515 3.643 0 50 EHAA Cc1nnc(C[C@@H]2CC[C@H](N[C@H](C)c3ccc4c(c3)CCCO4)C2)o1 1775960655 YLKDCBPSLHJGQV-SIIHOXLZSA-N 341.455 3.765 0 50 EHAA Cn1cnc2c1CCC[C@@H]2C(=O)Nc1ncc(-c2ccccc2)s1 2325779614 SCASYJWKIRJKMU-ZDUSSCGKSA-N 338.436 3.602 0 50 EHAA c1ccc(OCc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 181319 RSXDSPYRZJKNQW-UHFFFAOYSA-N 336.420 3.797 0 50 EHAA Cc1cccc(C(=O)Nc2ccccc2I)c1 272041 AXNLEDVWJWTMND-UHFFFAOYSA-N 337.160 3.852 0 50 EHAA COc1cc(C=O)c(Br)cc1OCc1ccc(F)cc1 449075 HOJKCMSFXVYCSN-UHFFFAOYSA-N 339.160 3.988 0 50 EHAA CCN(C(=O)c1cc2cc(OC)ccc2oc1=O)c1cccc(C)c1 609522 ZJTULTFTBAUONZ-UHFFFAOYSA-N 337.375 3.777 0 50 EHAA CCc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCO2)cc1 1058804 VABJFHABYBHDMH-GOSISDBHSA-N 338.407 3.619 0 50 EHAA O=C1c2ccccc2C(=O)N1CCOc1cccc(Cl)c1Cl 2877308 ZBCVGTLOEVVGSA-UHFFFAOYSA-N 336.174 3.668 0 50 EHAA O=C(NCc1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 3136899 MJZCCRVOSZRBBL-UHFFFAOYSA-N 338.285 3.756 0 50 EHAA O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1cccs1 3612534 ZPUMYOYSNYTADN-UHFFFAOYSA-N 346.433 3.679 0 50 EHAA O=C(CCc1ccncc1)NCC1(c2c(F)cccc2F)CCC1 412602070 NXZDGOVSHGIBPI-UHFFFAOYSA-N 330.378 3.531 0 50 EHAA COc1ccc(-c2c(C)nn3c(=O)c(CCC(C)C)c(C)[nH]c23)cc1 9935379 GDSZXGHZZIGJRU-UHFFFAOYSA-N 339.439 3.904 0 50 EHAA CN(C(=O)CCCc1c[nH]c2ccccc12)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 248038395 KCGWLZHYQRWVFW-PWIZWCRZSA-N 340.467 3.763 0 50 EHAA Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1 21870231 PNCNUIVJDNUGIN-RMKNXTFCSA-N 334.463 3.775 0 50 EHAA CC1=C(C(=O)Nc2ccccc2NC(=O)c2ccccc2)CCCO1 119205615 MQIJHHQURMXQEV-UHFFFAOYSA-N 336.391 3.962 0 50 EHAA FCCCOc1ccc(CN2CCN(c3ccccc3)CC2)cc1 4050796 RRMQBTUNVZANGY-UHFFFAOYSA-N 328.431 3.747 0 50 EHAA C[C@H](N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1ccc(S(C)(=O)=O)cc1 253393880 BYDHBVUQHBYYKQ-OIWLHUINSA-N 335.513 3.956 0 50 EHAA C[C@H](c1nc(-c2cccs2)no1)N1CCCC[C@H]1Cn1cccn1 257365819 QDPHAJQAFUVOOM-KGLIPLIRSA-N 343.456 3.610 0 50 EHAA CC(C)(C)c1cnc(CN2CCC(CN3CCCCC3=O)CC2)s1 328587960 KMXQVJJHCDKCTC-UHFFFAOYSA-N 349.544 3.665 0 50 EHAA CC(C)(C)c1cc([C@H]2c3nc[nH]c3CCN2CC2CCCC2)n[nH]1 72421679 YSJOCNGCWPNKKL-SFHVURJKSA-N 327.476 3.568 0 50 EHAA O=C(Nc1ccsc1Cl)NC1CCN(c2nccs2)CC1 281870966 FKHPPKRZMTXJGM-UHFFFAOYSA-N 342.877 3.649 0 50 EHAA Cc1cccc(C)c1OCCCN(C)C(=O)CCc1c(C)noc1C 214964072 RQLYMZQXXOGCNK-UHFFFAOYSA-N 344.455 3.768 0 50 EHAA Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)CC(=O)c1ccco1 158198111 GAJUARRBLCPVDU-GFCCVEGCSA-N 338.363 3.634 0 50 EHAA O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)[C@@H]1CCCS1 158998828 QLBXIISLMAWCIN-INIZCTEOSA-N 327.453 3.659 0 50 EHAA Cc1ccn(-c2ccccc2NC(=O)N2CCCc3occc3C2)n1 377604832 JQMREZOCQLEZGD-UHFFFAOYSA-N 336.395 3.754 0 50 EHAA CCc1ccc(NC(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)cc1F 159161217 KRHMVLKINZPWGO-ZDUSSCGKSA-N 346.406 3.566 0 50 EHAA Cc1nscc1C(=O)Nc1sc2c(c1C(=O)C1CC1)CCC2 333730215 PLOBPNPJWXMVDS-UHFFFAOYSA-N 332.450 3.847 0 50 EHAA Cc1ccc(Cc2ccccc2C(=O)N2CC(N3CCCCC3)C2)cc1 220512009 GOQHZKVTNFANMZ-UHFFFAOYSA-N 348.490 3.896 0 50 EHAA Clc1ccc(-c2n[nH]cc2-c2nc3c(cnn3CC3CC3)[nH]2)cc1 19770949 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343.349 3.537 0 50 EHAA CC[C@H](C)C(=O)Nc1ccccc1NC(=O)c1cccc(C(=O)O)c1 952981424 ZAVVCNDXNZOZNK-LBPRGKRZSA-N 340.379 3.622 0 50 EHAA Cc1cc(NC(=O)c2cccc(CN(C)C)c2)cc2sc(N)nc12 952991057 LIPJKGIKGUHRPG-UHFFFAOYSA-N 340.452 3.501 0 50 EHAA C[C@@H]1CN(C(=O)Nc2nnc(-c3ccco3)s2)[C@@H]2CCCC[C@H]12 272896824 ZRTOGXQWTRDQHQ-IJLUTSLNSA-N 332.429 3.841 0 50 EHAA C[C@H]1C[C@H](CCNC(=O)Cc2cccc(C(F)(F)F)c2)CCO1 273613338 ULMJZFVGNSXPFI-QWHCGFSZSA-N 329.362 3.569 0 50 EHAA Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@@H]1c1ccncc1 171104248 CMDHUICAJGTVNC-HXUWFJFHSA-N 348.450 3.961 0 50 EHAA O=C(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1cc(C2CC2)no1 685047060 JCWDXMNPYXRXBO-INIZCTEOSA-N 336.313 3.686 0 50 EHAA CC(C)c1cccc2c1CCN(Cc1cc(-c3cnn(C)c3)no1)C2 191890360 AACIZIXVCIATQH-UHFFFAOYSA-N 336.439 3.757 0 50 EHAA Cc1nc(C(C)C)ccc1Cn1nc(C)c([C@H]2CCCC(=O)N2)c1C 664094940 GGHOPKNLOVLCJR-GOSISDBHSA-N 340.471 3.716 0 50 EHAA CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1Cl 1616098340 MGWXOLURORYEET-CVEARBPZSA-N 342.826 3.832 0 50 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COc1cccc(CN[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1 255189095 NQSCDLACMAFTMI-WKILWMFISA-N 334.460 3.621 0 50 EHAA CC(=O)c1cc(CC(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)cs1 299787980 ZMPIINDYHXGDDA-HOTGVXAUSA-N 331.481 3.992 0 50 EHAA Cc1c(O)c(-c2ccn(C)n2)cc2c(-c3ccccc3)cc(=O)oc12 828407779 PCXLXYGOZVZHNE-UHFFFAOYSA-N 332.359 3.875 0 50 EHAA CO[C@H](C)c1nc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)cs1 275524213 BTMBLFNFFQQFGF-WBMJQRKESA-N 346.500 3.790 0 50 EHAA Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4ccnc(C)c4)C3)nc2c1 279402738 IEPDHHPBPBMECR-MRXNPFEDSA-N 334.423 3.595 0 50 EHAA CN(Cc1cscn1)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 279617166 AKSUIBVICUFMJJ-HIFRSBDPSA-N 333.432 3.760 0 50 EHAA Cc1cc(C(=O)Nc2cnc(C(C)C)nc2)c(Br)s1 279885330 HQIVMOANQMOPNC-UHFFFAOYSA-N 340.246 3.985 0 50 EHAA CSCCCCC(=O)N1CCO[C@H](c2cccc(Cl)c2)C1 186188624 CMABPMMLSDRUCL-HNNXBMFYSA-N 327.877 3.773 0 50 EHAA COc1ccc(CNCc2ccccc2OC)cc1Br 172204 PJQLBHPVZLELQF-UHFFFAOYSA-N 336.229 3.756 0 50 EHAA Cc1cc(C(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)no1 1529167948 RZJMWGMZBRYPSV-DLBZAZTESA-N 328.412 3.611 0 50 EHAA CCNc1ncnc2sc(C(=O)N(C)Cc3ccsc3)c(C)c12 12149111 LZVQLUVHNJCYKP-UHFFFAOYSA-N 346.481 3.765 0 50 EHAA O=C(CCc1ccccc1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 12705798 NYLVHYYPTZQWLP-LJQANCHMSA-N 326.415 3.861 0 50 EHAA COc1ccc(CNC(=O)c2csc3ccccc23)cc1OC 13331979 BLQRXYJWEKGRTD-UHFFFAOYSA-N 327.405 3.849 0 50 EHAA COc1ccc([C@](O)(CNCc2ccccc2)c2ccccc2)cc1 19205319 XXJMRCSHZFLZPI-QFIPXVFZSA-N 333.431 3.721 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@H](CCCc2ccccc2)[C@@H]1C(=O)O 209933131 JJVIAYZDVHANGB-JKSUJKDBSA-N 333.428 3.720 0 50 EHAA O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cnc2c(c1)C(=O)CCC2 1857531320 HNFAQERIGBTPJV-QGZVFWFLSA-N 340.810 3.671 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(OC(F)F)cc1 157155385 PJGLGKXMRWUMHZ-CQSZACIVSA-N 335.354 3.605 0 50 EHAA Cn1cc(CN2CC[C@H](OC(F)F)C2)c(-c2cc3ccccc3o2)n1 952845156 CRJXKTHZLKVQDH-AWEZNQCLSA-N 347.365 3.647 0 50 EHAA COc1cc([C@@H]2CC(=O)Nc3cc(C)c(C)cc32)cc(OC)c1OC 129819 YIHYGGVQWKBRDO-AWEZNQCLSA-N 341.407 3.803 0 50 EHAA COc1cc(C=O)cc(Br)c1OCc1ccc(F)cc1 37140 KFWBNKUHCNGZRM-UHFFFAOYSA-N 339.160 3.988 0 50 EHAA Sc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 41133 YDNKKOJZQFGCRA-UHFFFAOYSA-N 332.226 3.986 0 50 EHAA CSc1nnc2c(n1)O[C@@H](c1cccs1)Nc1ccccc1-2 176377 WHXODBDDPALIEP-ZDUSSCGKSA-N 328.422 3.825 0 50 EHAA O=C(C1CCCCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 303644 BMNOOVJYDNTIHT-UHFFFAOYSA-N 340.389 3.934 0 50 EHAA COc1ccc(O[C@@H](C)C(=O)Nc2cccc3c2CCCC3)cc1 514322 KDWOPVFRQQHMKG-AWEZNQCLSA-N 325.408 3.980 0 50 EHAA CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 2901073 XCRISSSAXSCDMJ-UHFFFAOYSA-N 325.408 3.615 0 50 EHAA CC[C@@H](C)[C@H](NCCC(=O)c1ccc(OCCC(C)C)cc1)C(=O)O 2922132 IFMZGOYCCXGBOU-BEFAXECRSA-N 349.471 3.773 0 50 EHAA Cn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccccc1 3532090 WFJVMKJPBPMDJL-UHFFFAOYSA-N 349.419 3.824 0 50 EHAA O=C(COc1ccc(Cl)cc1Cl)Oc1ccc(C(=O)O)cc1 4754866 ISFHSVQHOMRYQZ-UHFFFAOYSA-N 341.146 3.676 0 50 EHAA CC[C@@H](CO)N(Cc1ccsc1)C(=O)c1cccc2cccnc12 55403773 DFQBEBUVYUGFBT-INIZCTEOSA-N 340.448 3.710 0 50 EHAA Cc1cnc(NCc2ccc3c(c2)CC(C)(C)O3)nc1-c1ccnn1C 23232486 PSQDULQHTMCSBZ-UHFFFAOYSA-N 349.438 3.511 0 50 EHAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1cc(C(C)C)n[nH]1 67872003 UHQBGVBGFJOSRW-UHFFFAOYSA-N 325.368 3.509 0 50 EHAA O=C(NC[C@@H]1CCN(Cc2ccco2)C1)Nc1ccccc1Cl 67908683 OPKUCQVBDJHOEU-ZDUSSCGKSA-N 333.819 3.577 0 50 EHAA Cc1nc(C2CC2)oc1C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 253420582 YOGGTNQWBFGNLL-KGLIPLIRSA-N 346.452 3.650 0 50 EHAA CC(C)(C)OC1CCN(C(=O)c2ccc3nc(S)oc3c2)CC1 151529265 UBSGHGCQJOUACH-UHFFFAOYSA-N 334.441 3.536 0 50 EHAA C[C@@H](c1nncn1C)n1ccnc1C(c1ccccc1)c1ccccc1 72163781 NZUOWPBCQZVLKV-INIZCTEOSA-N 343.434 3.801 0 50 EHAA CCc1cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)ccn1 77378942 LHCVVQRYONMMGH-UHFFFAOYSA-N 344.842 3.981 0 50 EHAA O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 241738513 QYDNSIZCDWHQPW-PTKHLAPESA-N 345.870 3.824 0 50 EHAA Cc1ccc(-n2cnnc2S[C@H](C)c2nnc(C)s2)c(C)c1 340666018 CUGXMGHRFYZDSS-LLVKDONJSA-N 331.470 3.897 0 50 EHAA CC1(C)C[C@@H](NC(=O)CCn2cnc3ccccc32)c2ccccc2O1 159997452 MWHZYHRCYKWSBO-QGZVFWFLSA-N 349.434 3.845 0 50 EHAA C[C@H](NC(=O)c1cc(O)ccc1Cl)c1nc(C2CCCCC2)no1 290413550 USBZQIIXXBOFSW-JTQLQIEISA-N 349.818 3.967 0 50 EHAA Cc1ccc([C@H]2CCCN2C(=O)c2cc3c(C)nn(C)c3s2)o1 265215163 BRVTURKWEMLGKQ-CYBMUJFWSA-N 329.425 3.822 0 50 EHAA c1ccc(CCN2CCC[C@H](CNc3cc(C4CC4)ncn3)C2)cc1 91486116 BMVDXCNOCGNPGY-GOSISDBHSA-N 336.483 3.721 0 50 EHAA CC[C@H](CSC)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 181495079 MARCDICEACMSFX-CQSZACIVSA-N 346.500 3.594 0 50 EHAA CCOc1ccc(-c2nc(CN(C)Cc3noc(C)n3)cs2)cc1 183697378 WHUQJYOXYPPDQU-UHFFFAOYSA-N 344.440 3.532 0 50 EHAA Cc1cccnc1C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 670453137 TUWDLTFDRUIKPV-LJQANCHMSA-N 337.467 3.737 0 50 EHAA CC1(CNC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CCCC1 303350429 FAVWMRPIRCHLSN-UHFFFAOYSA-N 344.436 3.849 0 50 EHAA CC(C)[C@@H]1C[C@H](CC(=O)N2CCO[C@H](c3cccc(F)c3)C2)CCO1 272850061 ZXUFWEIAZJOMPU-MNEFBYGVSA-N 349.446 3.567 0 50 EHAA Cc1cccc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)c1Cl 190492579 XFIVLHOQUMKHRP-AWEZNQCLSA-N 335.762 3.733 0 50 EHAA CC(C)[C@@H](O)CC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 194059445 MCDAUBMNAMHBPZ-MSOLQXFVSA-N 341.455 3.537 0 50 EHAA O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1C1CCCCC1 12470435 ZHGSOKJLARQEBZ-IBGZPJMESA-N 338.455 3.608 0 50 EHAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(C)[C@H]1CCOC1 12587936 JUXZXKFEFFARSQ-AWEZNQCLSA-N 340.345 3.890 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CCOCC1 14952930 QIBVTWOGNNNXBL-SFHVURJKSA-N 329.827 3.721 0 50 EHAA Cc1ccc2ncccc2c1-c1nccn1[C@H]1CC(=O)N(C(C)C)C1 1857684289 HLOQOBSBVGPERM-HNNXBMFYSA-N 334.423 3.589 0 50 EHAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(C(F)(F)F)cc1 1857695173 XPJCPMAOVFRGKX-WOSRLPQWSA-N 341.329 3.563 0 50 EHAA COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(O)c2)cc1F 112434242 BLJSLBDXVJHHOX-RYUDHWBXSA-N 332.375 3.661 0 50 EHAA C[C@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)C[C@@H](C)O1 249270182 CPYDBCQGVJXZRK-RNJOBUHISA-N 336.398 3.562 0 50 EHAA CCC(CC)n1nc(C(=O)N[C@H]2COc3ccc(C)cc32)cc1C 252552778 UYWHBBGYTCJRAF-KRWDZBQOSA-N 327.428 3.725 0 50 EHAA Cc1nc(CC(C)C)sc1C(=O)N(C)[C@H]1CCCc2c1cnn2C 154947376 NXNIFKRPHYLGPG-AWEZNQCLSA-N 346.500 3.533 0 50 EHAA CC(C)c1nsc(CN2CCC(c3nc(C4CCC4)no3)CC2)n1 931550466 RASDCUWEBCZEBM-UHFFFAOYSA-N 347.488 3.692 0 50 EHAA O=C(CC1=CCCCC1)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952849041 WBXXRCYRJJXHCC-SJORKVTESA-N 340.471 3.525 0 50 EHAA CC(C)(C)c1nc(-c2cnc(C(F)(F)F)s2)c2c(=N)[nH]ccn12 1875335227 XHAGIXZWQTZTKN-UHFFFAOYSA-N 341.362 3.582 0 50 EHAA CC(C)[C@H]1CN(C(=O)c2c[nH]nc2C2CCOCC2)c2ccccc21 886077503 BGXZKEWVCGTEBL-QGZVFWFLSA-N 339.439 3.704 0 50 EHAA CC(C)(C)c1cccc(OCCn2cc(-c3ccncc3F)nn2)c1 2325855393 XBLGYPPIARIUNC-UHFFFAOYSA-N 340.402 3.856 0 50 EHAA Cc1ccc2nc(NC(=O)NC3CCC(F)(F)CC3)sc2n1 932697452 RRGPMJFDRCTRHO-UHFFFAOYSA-N 326.372 3.699 0 50 EHAA C[C@@H]1Nc2ccccc2-c2c(NC(=O)CN(C)C)c3ccccc3n21 196638 FHJNQHNFHWEVMD-CYBMUJFWSA-N 334.423 3.752 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 282741 CAYNPQMBKIPNHI-GFCCVEGCSA-N 346.789 3.779 0 50 EHAA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 351022 OGUZUYMSTWKISE-UHFFFAOYSA-N 347.436 3.556 0 50 EHAA COc1ccc(Cl)cc1-c1nnc(-c2ccc3c(c2)OCO3)o1 442724 HAJKKZYEBBHNEN-UHFFFAOYSA-N 330.727 3.794 0 50 EHAA CCOc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 613535 WESOCVPPWYOVNT-UHFFFAOYSA-N 336.420 3.842 0 50 EHAA CCCCOc1ccc(CON2C(=O)c3ccccc3C2=O)cc1 2979769 ZIAXFSMFGMXNNE-UHFFFAOYSA-N 325.364 3.593 0 50 EHAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3843835 JERGUCIJOXJXHF-WMKCGOMXSA-N 332.484 3.630 0 50 EHAA O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)OCCO2 4196976 PJCMAJHHEQSHDR-UHFFFAOYSA-N 327.361 3.574 0 50 EHAA COc1ccc(S(=O)(=O)Nc2ccccc2F)c2ccccc12 4667055 YQVZYJRETWIUTB-UHFFFAOYSA-N 331.368 3.788 0 50 EHAA CC(C)Oc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 4749688 FYMWAJYSGQGFDV-UHFFFAOYSA-N 342.414 3.575 0 50 EHAA Cc1ccccc1CSCC(=O)Nc1cccc(C(=O)O)c1C 6703032 VNDBNVWWNBKJAQ-UHFFFAOYSA-N 329.421 3.874 0 50 EHAA O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(F)cc1Cl 6729776 CJYXZULIKXKTOJ-UHFFFAOYSA-N 325.674 3.602 0 50 EHAA CC[C@H](SC)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 245624226 XSDMOZSMUJABSU-RDBSUJKOSA-N 331.840 3.567 0 50 EHAA O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCOCC1 8673084 RFHQLFNFLXWVOZ-UHFFFAOYSA-N 340.810 3.685 0 50 EHAA CC(C)(C)c1noc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)n1 246503832 HWMFBHKUIPSIAH-JKSUJKDBSA-N 347.434 3.594 0 50 EHAA CCSc1nc(CC(=O)NCCc2sccc2C)cs1 55042563 MXDGRAARGUQIQM-UHFFFAOYSA-N 326.512 3.526 0 50 EHAA O=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)c1ccc(F)cc1 24912463 FARRYRJYBXXQTN-UHFFFAOYSA-N 335.338 3.725 0 50 EHAA CC(C)CO[C@@H](C)C(=O)NCc1ccccc1CN1CCCC[C@H]1C 248146788 FHKAAUJLFYETFC-MSOLQXFVSA-N 346.515 3.738 0 50 EHAA Clc1cnccc1CN1CCc2[nH]cnc2[C@H]1Cc1ccccc1 67654528 JDOPDTRMUYFVLE-GOSISDBHSA-N 338.842 3.800 0 50 EHAA Cc1cc(C)c(-n2cccn2)c([C@@H]2CC(=O)Nc3[nH]nc(C4CC4)c32)c1 65407697 BWGFFIZSZHTCBC-AWEZNQCLSA-N 347.422 3.564 0 50 EHAA CCOP(=O)(CN(CC)CP(=O)(OCC)OCC)OCC 22016572 GCXOAUVRHSQGNQ-UHFFFAOYSA-N 345.313 3.756 0 50 EHAA CCc1nc([C@@H](C)NC(=O)c2ccccc2-c2nnc(C)o2)cs1 125148432 ALHKQDCGYNABOZ-SNVBAGLBSA-N 342.424 3.555 0 50 EHAA CCc1ccccc1-c1c(-c2ccccc2)ncn1[C@H](C)c1nnn[nH]1 67714585 RYCJDDLDIBJQCL-CQSZACIVSA-N 344.422 3.902 0 50 EHAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)C2(c3ccc(C)cc3)CC2)C1 67948123 UBGCPPIDDUMPFS-QGZVFWFLSA-N 337.467 3.718 0 50 EHAA CCN1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)cc2F)C[C@H]1C 252671052 MNPAUIWVVPKAOQ-DGCLKSJQSA-N 327.831 3.816 0 50 EHAA Cc1ccc(F)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 374317 NCXQEGSVLLKPKU-UHFFFAOYSA-N 341.308 3.866 0 50 EHAA CC(C)CCc1noc(CN[C@@H](c2ccccc2)C2(CO)CCC2)n1 433320250 RLPOGMWAQCCYJS-IBGZPJMESA-N 343.471 3.652 0 50 EHAA FC(F)(F)Oc1ccccc1CN1CC[C@@H](N2CCCCC2)C1 215951692 HIHRCYVJSDCERU-OAHLLOKOSA-N 328.378 3.645 0 50 EHAA Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1CCc2ccccc21 359612787 TWBVQSSSCMYEJQ-UHFFFAOYSA-N 349.434 3.826 0 50 EHAA COc1ccc2cc([C@H]3CN(c4nc(C)cnc4C)CCO3)ccc2c1 71661384 RAJPIJRRMMNCEA-HXUWFJFHSA-N 349.434 3.833 0 50 EHAA C[C@@H]1C[C@H](NC(=O)[C@H]2CCCc3n[nH]cc32)C[C@H](c2ccccc2)C1 333992641 LBVHJYJDIGLBRY-RANZSIQMSA-N 337.467 3.918 0 50 EHAA CN(C)/C=C1\CCCn2c1c(C#N)c1ncnc(-c3ccccc3)c12 32609492 XTGAXRCUZCSNAL-NTCAYCPXSA-N 329.407 3.666 0 50 EHAA O=C(O)CCCCCNC(=O)COc1ccc(Cl)c2ccccc12 261936242 WUWBSENEUSXRRA-UHFFFAOYSA-N 349.814 3.633 0 50 EHAA CCCC[C@H]1c2nc[nH]c2CCN1Cc1cnc(-c2ccccn2)nc1 72447717 JOFVGGUFCNTTKT-SFHVURJKSA-N 348.454 3.551 0 50 EHAA COc1cc(OC)c(NC(=O)N[C@H](C)c2ccccn2)cc1Cl 13744660 LUQYAQIFSDINPO-SNVBAGLBSA-N 335.791 3.635 0 50 EHAA O=C(Nc1ccc(-c2ccncc2)cc1)N[C@H](CO)c1ccccc1 43152493 WDTFYYZHMRBVHK-LJQANCHMSA-N 333.391 3.604 0 50 EHAA in-vivo CCN(CC)C(=O)[C@H](C)C1(O)c2ccccc2Oc2ccccc21 71770079 XCQNUDKXHGEEHU-AWEZNQCLSA-N 325.408 3.533 0 50 EHAA O=C(NCc1ccc(O)cc1)Nc1cccc(CN2CCCCC2)c1 44293621 FJDITVLUAMSFRE-UHFFFAOYSA-N 339.439 3.700 0 50 EHAA Cc1ccsc1CNC(=O)N1CCC[C@@H](C(=O)c2cccs2)C1 426434549 UZGOOQBQRBIIGE-CYBMUJFWSA-N 348.493 3.923 0 50 EHAA COc1cccc(-c2cc(C(=O)N(C)C/C=C/c3ccccc3)[nH]n2)c1 91876601 UAJAMXARXUXOPJ-JXMROGBWSA-N 347.418 3.871 0 50 EHAA CC(C)Cc1ccc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1 244626819 FTHSAPZZPFPPGA-QWFCFKBJSA-N 338.451 3.522 0 50 EHAA COc1cc(C)c(-c2cccc(C(=O)N3CCC[C@H](N)C3)c2)cc1C 534648679 ZRZBXGDDUGVJSW-SFHVURJKSA-N 338.451 3.542 0 50 EHAA Cc1ccc(C)c(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@H](C)C4)c1 299738291 RCJRUMXOMWXLBM-CYBMUJFWSA-N 348.402 3.693 0 50 EHAA COc1ccccc1[C@H]1CCCN1C(=O)c1c(C)n[nH]c1C1CC1 299793661 HBOUYAADCAHTHA-OAHLLOKOSA-N 325.412 3.581 0 50 EHAA COc1ccc(CC(=O)Nc2ccccc2CN2CCCCC2)cc1 824662008 YYHUVKKJGVPIER-UHFFFAOYSA-N 338.451 3.862 0 50 EHAA COC(=O)c1ccc(NC(=O)c2cc(Br)cs2)cc1 13326078 YFBKQSHLIIJINO-UHFFFAOYSA-N 340.198 3.550 0 50 EHAA COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(O)n2)cc1 279133956 CHICUHHEHXKHOG-KRWDZBQOSA-N 326.396 3.553 0 50 EHAA Cc1noc(Cl)c1CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 195481284 PMRBKEKNXSLZGZ-UHFFFAOYSA-N 346.736 3.856 0 50 EHAA O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccccc1 55313 IPJPMXDJIZLSGY-ZROIWOOFSA-N 328.165 3.794 0 50 EHAA O=C(O)/C=C/C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 375768 KWWHTIAWNRGNTM-ONEGZZNKSA-N 343.191 3.696 0 50 EHAA c1cn(-c2ccc3c(c2)COC3)c(-c2cnc(N3CCCC3)s2)n1 1772807642 ZWPHPXMOLHTOFB-UHFFFAOYSA-N 338.436 3.626 0 50 EHAA CCCN1CCC(NC(=S)Nc2ccccc2C(F)(F)F)CC1 5063046 KMZQLAGIXLGQLB-UHFFFAOYSA-N 345.434 3.866 0 50 EHAA CC(C)N(Cc1nc(-c2cccs2)no1)C(=O)c1cccs1 12382448 ROQYTXJHKYBATH-UHFFFAOYSA-N 333.438 3.910 0 50 EHAA O=C(NCc1cccnc1)c1cccc(OCCc2ccccc2)c1 12404420 ZMFRJQPTLBEJFP-UHFFFAOYSA-N 332.403 3.633 0 50 EHAA CCOc1cccc(NS(=O)(=O)Cc2c(F)cccc2Cl)c1 13673097 IDYYOGKXGHGDOV-UHFFFAOYSA-N 343.807 3.820 0 50 EHAA CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 14012180 HQJZWOFLCOSTSQ-UHFFFAOYSA-N 338.407 3.574 0 50 EHAA O=C(Nc1ccccc1)[C@@H]1CC12CCN(C(=O)c1ccsc1)CC2 14977843 CKKIZOJTFHLGEQ-INIZCTEOSA-N 340.448 3.629 0 50 EHAA CC(=O)Nc1ccc(C(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)c(Cl)c1 1857677106 XGCONRAPPMRHPH-GUTXKFCHSA-N 334.847 3.855 0 50 EHAA Cc1cnc([C@H](C)NC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)s1 222320571 LYFLFISPVKIWTI-CWRNSKLLSA-N 345.468 3.732 0 50 EHAA Cn1c(SCCCCCF)nnc1[C@@H]1COc2ccccc2O1 225437659 SRIZIVMUYRPFDJ-AWEZNQCLSA-N 337.420 3.560 0 50 EHAA CC(C)(C)n1nnc(CNc2ccc(-c3ccc(Cl)s3)nc2)n1 657463136 IWBPCXHYYQIXJG-UHFFFAOYSA-N 348.863 3.817 0 50 EHAA Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccn(C)n2)c(C)o1 253419536 OQDFZIOPXADRHB-KRWDZBQOSA-N 343.814 3.803 0 50 EHAA CC(C)Oc1cc(C(=O)O)ccc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 901109067 GXMNHZUISIWPLM-NSHDSACASA-N 341.363 3.558 0 50 EHAA COc1ccc(CCC(=O)Nc2cc(C3CC3)c(C(=O)O)s2)cc1 1875292137 YFRUNEPUWMPPFO-UHFFFAOYSA-N 345.420 3.904 0 50 EHAA O=C(Cn1ccnc1C1CC1)N(Cc1ccccc1)c1ccccc1 1875337751 FAICZQQWQYXHGO-UHFFFAOYSA-N 331.419 3.994 0 50 EHAA COc1cc(CCNC(=O)N2CCCC3(CCC3)C2)ccc1Cl 1875342277 IFFHXJGDNCTCNC-UHFFFAOYSA-N 336.863 3.867 0 50 EHAA O=C(CCc1ccc(Cl)cc1Cl)NC[C@H](O)CCC1CC1 1875361919 IEBRANLCZNMPSU-CQSZACIVSA-N 330.255 3.593 0 50 EHAA CC(=O)Nc1c(C)ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)c1C 15108545 URHNSHFLIBJEGV-UHFFFAOYSA-N 349.390 3.565 0 50 EHAA Oc1nc2cc(F)ccc2cc1CN1CCC(c2ccccn2)CC1 1474345462 NONMBWNZZMNXAZ-UHFFFAOYSA-N 337.398 3.854 0 50 EHAA COc1cc(/C=C/C(=O)NC(C)C)ccc1OCc1ccccc1 144598 ZGNKTXRSGHHWRV-ZRDIBKRKSA-N 325.408 3.812 0 50 EHAA Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 308366 UNLGVOZWILVAHQ-UHFFFAOYSA-N 340.398 3.625 0 50 EHAA COc1ccc(CCNC(=O)COc2ccc(C(C)C)cc2)cc1 318877 RPQPKXMOTOFPTL-UHFFFAOYSA-N 327.424 3.556 0 50 EHAA Cc1cc(NC(=O)CCCC(=O)O)ccc1NC(=O)c1cccs1 475314 NPVYSFSMWQVZDL-UHFFFAOYSA-N 346.408 3.502 0 50 EHAA CCc1cccc(CC)c1NS(=O)(=O)c1cc(C)ccc1OC 583267 NUURWKSNZYQHRX-UHFFFAOYSA-N 333.453 3.929 0 50 EHAA CC(C)c1cc(CN2CCC3(CC2)OCCc2ccsc23)no1 2356159768 PYDSAOZYVVAISV-UHFFFAOYSA-N 332.469 3.924 0 50 EHAA O=C(NCc1ccco1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 2881084 DQSQUBOSYYZLTF-UHFFFAOYSA-N 345.358 3.927 0 50 EHAA C[C@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)O 4652441 IHPVIWJZZRTWJJ-JTQLQIEISA-N 344.750 3.965 0 50 EHAA O=C(COc1ccccc1)Nc1cccc(NC(=O)c2ccccc2)c1 4715630 CWJAJWBZUPAKMJ-UHFFFAOYSA-N 346.386 3.956 0 50 EHAA Cc1cc(C)cc(NC(=O)N2CCN(c3ccccc3F)CC2)c1 6715657 GHWCQZABQWMLKX-UHFFFAOYSA-N 327.403 3.797 0 50 EHAA O=C1CCCN1[C@H]1CCCN(Cc2cscc2C(F)(F)F)CC1 414547794 JCMNAQRRRJDWCG-ZDUSSCGKSA-N 346.418 3.744 0 50 EHAA C[C@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2ccccc2)CC1 9341029 PYNBSUIEYYPUJU-INIZCTEOSA-N 348.446 3.517 0 50 EHAA CSc1ccc(CN(CCO)Cc2nc(C(C)C)cs2)cc1 55098850 IFLWOJSSATYEQP-UHFFFAOYSA-N 336.526 3.983 0 50 EHAA Cc1ccc(NC(=O)[C@@H](C)N(Cc2c(C)nn(C)c2C)C(C)C)cc1 65385050 FLQCYPKIXBEQOA-QGZVFWFLSA-N 342.487 3.583 0 50 EHAA COc1ccc(-c2cccc(-c3ccn(C[C@H](C)O)n3)c2)cc1OC 20997671 XJKXEBPJHYERRQ-AWEZNQCLSA-N 338.407 3.615 0 50 EHAA COCc1ccc(CN2CCC[C@@H](c3[nH]ncc3CC(C)C)C2)o1 20783196 SJGZZAIGAUKCIE-OAHLLOKOSA-N 331.460 3.727 0 50 EHAA Cc1ccc2cc(CN(Cc3cccc(O)c3)C3CC3)c(=O)[nH]c2c1 67955306 BSZVJCFQDJRHCG-UHFFFAOYSA-N 334.419 3.707 0 50 EHAA COC(=O)c1cc(Br)ccc1OC(=O)c1cccs1 40860 BKARZXRIGSJUAK-UHFFFAOYSA-N 341.182 3.516 0 50 EHAA C1=C[C@]2(CCCN(Cc3cnn4cccnc34)CC2)Oc2ccccc21 65406432 ZXMSONIUYVJXKE-NRFANRHFSA-N 346.434 3.560 0 50 EHAA COc1cccc2ccc(CN(C)Cc3ccc4c(c3)CN(C)C4)nc12 216458355 QFOCSQZFXRXNHT-UHFFFAOYSA-N 347.462 3.821 0 50 EHAA O=C(c1ccncc1Br)N1CC=C(c2ccccc2)CC1 122726544 NOLBZKLZHKOXCR-UHFFFAOYSA-N 343.224 3.774 0 50 EHAA CC(C)c1noc([C@@H]2CCCN2Cc2ccc(-n3ccnc3)cc2)n1 77375487 RMRQYKYFOPIFPE-KRWDZBQOSA-N 337.427 3.716 0 50 EHAA Cc1ncsc1CN(C/C=C/c1ccccc1)C[C@H]1CCNC1 328633422 LYZBZUQKGQHJRT-MOTZXUDYSA-N 327.497 3.576 0 50 EHAA COc1ccc(F)c(F)c1CN(Cc1ccncc1)C[C@@H]1CCCO1 215937050 TUHRCIPSQVIGJV-HNNXBMFYSA-N 348.393 3.550 0 50 EHAA CCc1nn(C)c(Cl)c1CN1CC(Cc2ccccc2Cl)C1 253429565 HPJUEQBKKYSAHE-UHFFFAOYSA-N 338.282 3.964 0 50 EHAA Oc1nc(-c2ccc3cc[nH]c3n2)nc2ccc(Br)cc12 253536241 MDNVWZFZXSYNAP-UHFFFAOYSA-N 341.168 3.641 0 50 EHAA c1ccc(-c2nn(-c3ccccc3)cc2COCc2ncc[nH]2)cc1 123740583 ATVCJXDFFWKWEZ-UHFFFAOYSA-N 330.391 3.979 0 50 EHAA COc1ccc(C)cc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 33088890 HAHQRCRWVOESAA-ZDUSSCGKSA-N 348.402 3.688 0 50 EHAA CCC1(CC)[C@H](NC(=O)c2cc(C)oc2C(F)(F)F)C[C@H]1OC 331823032 WRSGFUQWJJUBTM-VXGBXAGGSA-N 333.350 3.930 0 50 EHAA CCN(C(=O)c1ccc(C(=O)O)cc1F)[C@@H](C)Cc1ccsc1 263035682 REPPTFXHIOZAKV-NSHDSACASA-N 335.400 3.679 0 50 EHAA CCc1ccc(CN(C(=O)Cc2c[nH]c3ncccc23)C2CC2)cc1 155601134 IFMJBZZBRFJZDG-UHFFFAOYSA-N 333.435 3.859 0 50 EHAA Cc1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc1C 39541206 RQPNTAAAEBXMNY-OAQYLSRUSA-N 330.516 3.505 0 50 EHAA c1ccc(Cn2ccnc2CN2CCCC[C@H]2CCn2cccn2)cc1 77299947 MVGMGDGBANONAM-FQEVSTJZSA-N 349.482 3.573 0 50 EHAA CC(C)C[C@@H](O)C1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1 77356612 UVJBIULQXHHQDZ-HXUWFJFHSA-N 344.499 3.546 0 50 EHAA O=S(=O)(c1cc(F)ccc1F)N1CCC[C@H]1c1ccccc1F 35476443 ITQIXOAQYLBSQY-HNNXBMFYSA-N 341.354 3.630 0 50 EHAA Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)Cc3ccccc3O)cc2)n1 176659705 NZEPHTLYAFEPPP-MRXNPFEDSA-N 349.434 3.615 0 50 EHAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1scnc1C 82109578 VVEBWSHMIJVFBG-INIZCTEOSA-N 330.453 3.587 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)N(C)CCCOc2ccccc2F)cn1 426490622 SNEZXYGVHRVJHY-OAHLLOKOSA-N 345.418 3.701 0 50 EHAA CC[C@H]1C[C@@H](CC(=O)N=c2ccc3cccc(Cl)c3[nH]2)CCO1 332436260 GTNQOTLXFMNFDX-JSGCOSHPSA-N 332.831 3.844 0 50 EHAA C[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc2c(c1)CCC(=O)N2 178973664 YXHWOCJYIJAQKD-NSHDSACASA-N 336.382 3.574 0 50 EHAA COc1ccc2oc([C@@H](C)NC(=O)c3ccc(C(=O)O)o3)c(C)c2c1 237318076 SZURJDLQRYPTAA-SNVBAGLBSA-N 343.335 3.532 0 50 EHAA Cc1cccc([C@H](C(=O)NCc2cc(-c3ccccc3)no2)N(C)C)c1 95361318 OSYBONHNBSFENY-HXUWFJFHSA-N 349.434 3.569 0 50 EHAA CC(C)n1cccc1C(=O)NCc1cc(-c2ccc(F)cc2)no1 244794916 QWJNMLSYZVZJQN-UHFFFAOYSA-N 327.359 3.793 0 50 EHAA Cc1c(CN2CCC[C@@H](c3nc4ccccc4s3)C2)cnn1C 244748496 OIQKKUBGSYBFDP-CQSZACIVSA-N 326.469 3.718 0 50 EHAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cccc2c1ccn2C 253414973 ZGFKIIPXLSTKKE-QFBILLFUSA-N 339.483 3.515 0 50 EHAA biogenic CCc1nc(-c2cccc(C(=O)N3CCN4CCC[C@H]4C3)c2)ccc1C 584900268 LVDLIHCZLCQSNO-IBGZPJMESA-N 349.478 3.540 0 50 EHAA Cc1ccc(-c2n[nH]cc2CNCCCNc2ccc(C)cn2)cc1 952962729 FQEYLNNMHWRIDA-UHFFFAOYSA-N 335.455 3.680 0 50 EHAA O=C(O)c1cccc(C(=O)Nc2cc(F)ccc2OCC2CC2)c1 192985026 IFYUJSOIRZZDHY-UHFFFAOYSA-N 329.327 3.565 0 50 EHAA C[C@H]1CN(Cc2ccccc2)C[C@@H](c2noc([C@H](C)C3CC3)n2)O1 665007539 XOGVVTKUCWPEGU-VBQJREDUSA-N 327.428 3.545 0 50 EHAA Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 184717 ZKCWVCUWBRABQU-ZHACJKMWSA-N 340.448 3.686 0 50 EHAA COc1ccc(/C=C/C(=O)N[C@H](C)CCc2ccccc2)cc1OC 319495 HRMRAISLQHPIGQ-WCRPCQDQSA-N 339.435 3.855 0 50 EHAA biogenic C[C@H](CCCC(C)(C)O)CCN1CCC(c2ccnc(O)c2)CC1 1772805651 ODJOOJVYQRFAKZ-MRXNPFEDSA-N 334.504 3.934 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)no1 12092769 JONNTBKVVFNYGL-ZDUSSCGKSA-N 334.366 3.746 0 50 EHAA c1ccc2c(c1)C[C@@H]1OC(CC3=N[C@@H]4c5ccccc5C[C@@H]4O3)=N[C@@H]21 12958151 BDHSVQLSNIGJNC-IDPBPBMLSA-N 330.387 3.566 0 50 EHAA Cc1nc(C=Cc2cc3ccccc3s2)nc(O)c1CCC(=O)O 1857528519 JXPMGRGBSSCNRN-UHFFFAOYSA-N 340.404 3.893 0 50 EHAA COc1ccc2ccccc2c1CNC(=O)NC[C@@H]1CCC[C@H](C)O1 660271872 GXSVKLPOCVFHNV-HOCLYGCPSA-N 342.439 3.605 0 50 EHAA C[C@H]1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)CC(C)(C)O1 133526310 QAIMRYMCSDXFEC-LBPRGKRZSA-N 348.443 3.518 0 50 EHAA CCCn1c(C)nnc1CN1CCC[C@H](c2nc3ccccc3o2)C1 161795353 WUKXWPKJOJAJSS-HNNXBMFYSA-N 339.443 3.517 0 50 EHAA COc1cc(O)ncc1C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 935682680 GCKZFQQBZISPGS-OAHLLOKOSA-N 346.814 3.817 0 50 EHAA O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1ccsc1C(F)F 935740975 LYHWKTUHZPGHDC-MRVPVSSYSA-N 327.356 3.555 0 50 EHAA O=C(NC12CC3C[C@H]1[C@H]2C3)c1cc(-c2ccccn2)nc2ccccc12 1875330513 RLPMHKHLKVNWNK-GTDRYPKJSA-N 341.414 3.825 0 50 EHAA COc1ccc(CNCCc2ccc(F)cc2)cc1Br 19720842 XIHWEFYLBNRNLW-UHFFFAOYSA-N 338.220 3.929 0 50 EHAA O=C(Cc1ncc[nH]1)N1CCCC[C@H]1c1ccccc1C(F)(F)F 1775988125 LBSVLJMWNZOCOZ-AWEZNQCLSA-N 337.345 3.725 0 50 EHAA Fc1cccc(Cl)c1-c1nnc2ccc(N3CCCCC3)nn12 111751 ZQKHHLJVCJENSB-UHFFFAOYSA-N 331.782 3.574 0 50 EHAA Cc1sc(CCN)nc1C(=O)N1CCCCC2(CCCCC2)C1 2325778725 MIOHHJACJBORGS-UHFFFAOYSA-N 335.517 3.529 0 50 EHAA NC1CC2(C1)C[C@H]2C(=O)N1CCCC[C@@H]1CCCc1ccccc1 2325792284 SJYZAKIJJQTRNW-LSNYBQGISA-N 326.484 3.518 0 50 EHAA O=C(NCc1ccccc1OC(F)(F)F)NC[C@@H]1CCC2(CC2)C1 2325842702 GAIXORXBDAGBIU-GFCCVEGCSA-N 342.361 3.965 0 50 EHAA C[C@H]1CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C[C@H](C)O1 270090 QBWOAWBMDYYGON-GJZGRUSLSA-N 337.485 3.532 0 50 EHAA CCOc1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1 458894 QZVMANTUEJFLQK-UHFFFAOYSA-N 335.359 3.673 0 50 EHAA O=C(CSCc1c(Cl)cccc1Cl)NC[C@H]1CCCO1 479705 PEIIXEOZGQFYSL-SNVBAGLBSA-N 334.268 3.522 0 50 EHAA Cc1cc(Cl)cc(Br)c1OCCCCn1cncn1 2845370 VGMFXCMLXNZUJD-UHFFFAOYSA-N 344.640 3.862 0 50 EHAA aggregator Cc1cc(=O)oc2cc(NC(=S)NCc3cccs3)ccc12 2857340 ZSIKDLYEMCRDNW-UHFFFAOYSA-N 330.434 3.650 0 50 EHAA Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(F)cc1)N(C)C3=O 4868040 FNNXPJOPKDVRMS-KRWDZBQOSA-N 337.350 3.724 0 50 EHAA COc1cccc(C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c1 4950123 YCTZSMJJNKXIIB-UHFFFAOYSA-N 344.374 3.657 0 50 EHAA COc1c(S(=O)(=O)Nc2cccc(C)n2)ccc(Cl)c1Cl 6139061 SWWJOIQYGZNAFP-UHFFFAOYSA-N 347.223 3.506 0 50 EHAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Cc1ccccc1 6697084 NRWSAVLQVUEWRH-UHFFFAOYSA-N 335.407 3.636 0 50 EHAA CCN(Cc1noc(CC(C)C)n1)Cc1c(C)cc(C)c(CO)c1C 55054434 KMCGJKBCVXCDFV-UHFFFAOYSA-N 345.487 3.708 0 50 EHAA COc1cccc(C2=C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)c1 100961752 FRGZFMPBAOOFLE-QGZVFWFLSA-N 338.798 3.996 0 50 EHAA CC(C)C/C=C(/CN1CCC(n2cc([C@H](C)O)nn2)CC1)C(C)C 55358397 HVHLPBDZCIBEPG-IJMVCFSESA-N 334.508 3.597 0 50 EHAA CC[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cc(O)no1 55393477 USANBFHWJGJUHC-LBPRGKRZSA-N 336.819 3.794 0 50 EHAA Cc1noc(C)c1Cc1noc([C@H]2CCCN2Cc2ccccc2)n1 350479224 IEQPATUOHRWQAL-QGZVFWFLSA-N 338.411 3.602 0 50 EHAA COc1ccc2oc([C@H](C)NCCc3nnc(C)s3)c(C)c2c1 353572112 QPEVSZJQJOMDTK-NSHDSACASA-N 331.441 3.803 0 50 EHAA Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C[C@H]2C)o1 230183445 RHEBITLETBOUKH-QAPCUYQASA-N 326.440 3.571 0 50 EHAA Cc1ccc(CN(CCCO)Cc2ccc3cccc(O)c3n2)s1 63856462 DSHAMUNOLURQHH-UHFFFAOYSA-N 342.464 3.695 0 50 EHAA O=C(Nc1ccccc1OC1CCCC1)N1CCN2CCCC[C@@H]2C1 171524260 MXWCZSINWLDJSH-MRXNPFEDSA-N 343.471 3.710 0 50 EHAA CC(C)(CC(=O)NC[C@@H](O)c1ccc2ccccc2c1)C(F)(F)F 280755893 QBFVPJWLDDRMGC-OAHLLOKOSA-N 339.357 3.968 0 50 EHAA COc1cccc(CNC(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 31031601 POBAGFIYTIINNV-SFHVURJKSA-N 328.387 3.881 0 50 EHAA C[C@@H](Cc1cccnc1)n1cnc2sc3c(c2c1=O)CCCC3 32597893 SFXFBFMDVGGXET-LBPRGKRZSA-N 325.437 3.536 0 50 EHAA Cc1cc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cc(C)n1 72149870 XTNVQWVXIMOUNY-YPAWHYETSA-N 333.479 3.765 0 50 EHAA COC[C@H](Cc1ccccc1)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 242048038 VSEYQCUUTWRCLS-VDGAXYAQSA-N 347.405 3.642 0 50 EHAA Cc1cc(C)n(-c2ccc(C(=O)N(C)[C@H](C)c3cncs3)cc2)n1 77342040 QDKMSLKEQWUQOK-CQSZACIVSA-N 340.452 3.779 0 50 EHAA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(O)[C@H](O)CO 36370941 POBOSGNSIHOBLX-RQFXOHRLSA-N 336.516 3.504 0 50 EHAA CCc1[nH]c([C@H]2CC(=O)N(Cc3ccccn3)C2)nc1-c1ccccc1 19794982 VHXHXOGSIRFFSE-INIZCTEOSA-N 346.434 3.550 0 50 EHAA CCCc1cc(C(=O)N(C)Cc2nc(-c3ccccc3)cs2)[nH]n1 91664153 YMMLXHNMSFGEHP-UHFFFAOYSA-N 340.452 3.758 0 50 EHAA COc1cccc2c1OCC(CN1CCC[C@H]1c1cc(C)no1)=C2 97713576 AECXIIGAQXGMDU-INIZCTEOSA-N 326.396 3.605 0 50 EHAA CN1CCCCC[C@H]1C(=O)NCc1cc(C(F)(F)F)ccc1Cl 95363347 KHJLDLDEOSIDGD-AWEZNQCLSA-N 348.796 3.849 0 50 EHAA O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCC[C@]2(CCOC2)C1 91645991 DNZVVUHBGYBDLX-NRFANRHFSA-N 338.451 3.689 0 50 EHAA Cc1[nH]nc(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1Cl 97173287 KDVUFJYHVFCJKY-CYBMUJFWSA-N 343.862 3.703 0 50 EHAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)NC(C)C)cc1C 91586193 UDLWQSSUBQRVAY-KRWDZBQOSA-N 326.444 3.574 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 91289154 ROGNULLKIKEHNW-HNNXBMFYSA-N 331.847 3.505 0 50 EHAA CCc1cc2c(CN[C@@H](C)c3cccc(O)c3)cc(=O)oc2cc1O 181534678 LGEPOISKWPVUDV-LBPRGKRZSA-N 339.391 3.617 0 50 EHAA CN(C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cnn(C)c1 182494560 FBKOJYSVOGRNMN-UHFFFAOYSA-N 343.471 3.997 0 50 EHAA C[C@](O)(CC(=O)Nc1ccc(F)cc1OC(F)F)c1ccccc1 182516083 BFLRXVQVYWTHBT-KRWDZBQOSA-N 339.313 3.663 0 50 EHAA CC1(C)[C@@H]2C[C@@H]1CC1=C2[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 257357667 PIJBQVKSBJJYPY-PZAUIWNHSA-N 333.431 3.805 0 50 EHAA Cc1ccc2ncccc2c1CNC(=O)[C@H](C)N(C)C1CCCCC1 299799195 QELSMIVOLPJIFM-INIZCTEOSA-N 339.483 3.812 0 50 EHAA Cc1cc(CNC(=O)Nc2ccc(C)c(NC(=O)C(C)C)c2)ccn1 299760257 FATNMISMVLYDNO-UHFFFAOYSA-N 340.427 3.615 0 50 EHAA CC[C@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1ncc(C)[nH]1 822650386 UQNSMHZKKNLAMX-KRWDZBQOSA-N 342.418 3.807 0 50 EHAA Cc1ccc2nc([C@@H](NC(=O)c3ccn(C(C)C)n3)C(C)C)[nH]c2c1 670458027 WAIREGGOGVCSJR-KRWDZBQOSA-N 339.443 3.776 0 50 EHAA O=C(Nc1cccc(-c2noc(C(F)F)n2)c1)C(F)(F)C(F)F 408520147 NEODTONTFJYTJU-UHFFFAOYSA-N 339.195 3.513 0 50 EHAA CC[C@](NC(=O)[C@@H](C)Sc1ccccc1)(C(=O)O)c1ccccc1 170592053 VWQPJNOOJVNPKT-AUUYWEPGSA-N 343.448 3.674 0 50 EHAA Cc1cnc(C(C)(C)NC(=O)Nc2cc(C(F)(F)F)ccn2)s1 170594556 SULCCDPHYVYULF-UHFFFAOYSA-N 344.362 3.922 0 50 EHAA COc1cccc(CN(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 273442676 NQAWWRVIFBTFMA-QZTJIDSGSA-N 330.403 3.581 0 50 EHAA Brc1ccc(OC[C@H]2CCOC2)c(Br)c1 170623473 GZDBMMSKSRKIFW-QMMMGPOBSA-N 336.023 3.627 0 50 EHAA Cc1cc(-n2ccnc2)ccc1CN1CCO[C@H](c2ccsc2)C1 192069926 DMLYTYLIFUFOGG-IBGZPJMESA-N 339.464 3.816 0 50 EHAA COc1cccc2c1CC[C@@H](NC1CCN(C3CCCCC3)CC1)C2 192444058 ZPCUBEPXNRIJES-LJQANCHMSA-N 342.527 3.939 0 50 EHAA CO[C@H]1CN(Cc2oc3ccccc3c2C)C[C@H]1Cc1cc(C)no1 1529119060 AYFIJQMBGXONHV-QRWLVFNGSA-N 340.423 3.727 0 50 EHAA CC(=O)c1cnc(NCCc2nc(-c3ccccc3)cs2)nc1C 1704328511 JWYJNDWJBHSSDE-UHFFFAOYSA-N 338.436 3.766 0 50 EHAA Cc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(C)nc4c32)cc1 5346798 OCADKKCAXXTSLL-QGZVFWFLSA-N 344.374 3.733 0 50 EHAA O=C(c1ccccn1)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 12464213 MGGNCGNETINZMT-AWEZNQCLSA-N 330.378 3.845 0 50 EHAA O=C1N/C(=C/c2cccc(Br)c2)C(=O)N1c1ccccc1 14010166 MOBPQYBXANVINJ-GXDHUFHOSA-N 343.180 3.546 0 50 EHAA COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OC 1686458 SXNOJSLGABQSFI-NTEUORMPSA-N 343.766 3.702 0 50 EHAA C[C@@]1(C(=O)O)CCN(Cc2nc(-c3cccc(Cl)c3)cs2)C1 1857531617 GHGQBHPHTNCHPP-MRXNPFEDSA-N 336.844 3.760 0 50 EHAA CCCCc1nc(-c2nccn2[C@@H]2CCC[C@H](CN)C2)c(Cl)[nH]1 1857713205 LDTFNJHNTJFSTD-QWHCGFSZSA-N 335.883 3.959 0 50 EHAA CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(Cl)cn1 128176739 PCZUWCGALCRZNR-UHFFFAOYSA-N 326.730 3.609 0 50 EHAA CC[C@@]1(C(=O)O)CCCN1C(=O)[C@H](SC)c1cccc(Cl)c1 1875354928 UCBSDJOORCTPMA-CJNGLKHVSA-N 341.860 3.600 0 50 EHAA Cc1cnc(CN(C)C(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)[nH]1 1875332239 ORKKVXZIDMJBCP-UHFFFAOYSA-N 345.406 3.534 0 50 EHAA COc1ccccc1[C@@H]1CCCN(CCC(=O)N2CCCCC2)CC1 879726862 AWRKJRLWDRNIDO-GOSISDBHSA-N 344.499 3.667 0 50 EHAA O=C(O)C1(CC(F)F)CCN(Cc2ccc3ccncc3c2)CC1 2325773267 DBPSVEWNEGOWRX-UHFFFAOYSA-N 334.366 3.557 0 50 EHAA CC(C)C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@]1(C)C(=O)O 2325820731 VBYWTJOJAONSKV-HLIPFELVSA-N 331.456 3.651 0 50 EHAA O=c1cncc(Cl)n1CCOc1ccc(Oc2ccccc2)cc1 2325854419 CXTCKDMBPJBXPQ-UHFFFAOYSA-N 342.782 3.768 0 50 EHAA COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 37706 ZDGCCMKTNSQVRL-UHFFFAOYSA-N 333.384 3.805 0 50 EHAA CCN(CC)c1ccc(NC(=O)COc2ccccc2OC)cc1 38507 CSEDTQARBBNVQR-UHFFFAOYSA-N 328.412 3.559 0 50 EHAA CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 328680 UDUTXTQZHHQMKV-UHFFFAOYSA-N 345.443 3.799 0 50 EHAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 473961 PERFVTPXBNGAJD-GFCCVEGCSA-N 347.798 3.923 0 50 EHAA CCCc1cc(C(=O)OC)c(NC(=O)c2c(CC)noc2C)s1 1055416 HXIXHKPNHOANQH-UHFFFAOYSA-N 336.413 3.598 0 50 EHAA COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OC 1696688 CXWWOTMXNBKMBO-UHFFFAOYSA-N 331.966 3.873 0 50 EHAA Cc1ccc(NC(=O)CN2CCCCC2)c(C(=O)c2ccccc2)c1 4837397 LJKYMKQRGOVUPY-UHFFFAOYSA-N 336.435 3.650 0 50 EHAA COc1ccc(F)cc1NC(=O)Nc1cc(-c2ccc(C)o2)n[nH]1 225853139 OHEPKUBVXOCNCE-UHFFFAOYSA-N 330.319 3.770 0 50 EHAA Fc1ccccc1N1CCN([C@H]2CCCN(C3CCCCC3)C2)CC1 20600042 UUQMHHCHHWVABQ-IBGZPJMESA-N 345.506 3.745 0 50 EHAA c1ccc(COc2ccccc2CN2CCC3(CCNCC3)C2)cc1 67841213 GMNPJGGZFHYEAN-UHFFFAOYSA-N 336.479 3.841 0 50 EHAA CCc1nc(C)c(CN2CCO[C@@H](CCCc3ccccc3)C2)[nH]1 12301165 HXXKEBJNDPARJX-SFHVURJKSA-N 327.472 3.504 0 50 EHAA OCCOCCn1cnc(-c2ccccc2)c1-c1cc2ccccc2o1 65398387 SKLFPNMHPREABZ-UHFFFAOYSA-N 348.402 3.972 0 50 EHAA COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](c3nccs3)C2)c1 229608394 YDMUJBXYAXYQBF-PVAVHDDUSA-N 342.464 3.661 0 50 EHAA C[C@H](CNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)N(C)c1ccccc1 229798095 RFHPVAQUHQSNFK-QLFBSQMISA-N 342.405 3.996 0 50 EHAA Cc1ccnc(NC(=O)c2ccn(COc3cccc(Cl)c3)n2)c1 2799582 NDDYXKJKOAJQBO-UHFFFAOYSA-N 342.786 3.529 0 50 EHAA Cc1ccc(C(=O)CC(=O)c2cccc(Br)c2)c(O)c1 216629458 AHJJBBIGWFLSIY-UHFFFAOYSA-N 333.181 3.919 0 50 EHAA CCOC(=O)C[C@H](NC(=O)c1ccccc1C)c1ccc(C)cc1 3627292 WKZPSCNFNSORKQ-SFHVURJKSA-N 325.408 3.728 0 50 EHAA O=C(NCCc1ccc(Cl)cc1)c1ccc(Cn2ccnc2)cc1 72442279 XUCFKQRCQBQKKC-UHFFFAOYSA-N 339.826 3.557 0 50 EHAA COc1cccc(-c2noc(-c3ccc(-c4ccc[nH]4)nc3)n2)c1OC 72140348 RRXXTKFOYPSBFR-UHFFFAOYSA-N 348.362 3.811 0 50 EHAA Cc1n[nH]c(C)c1CCn1ccnc1-c1cc2c(cc1Cl)OCO2 71403990 CWCYIMUCDDWVSB-UHFFFAOYSA-N 344.802 3.515 0 50 EHAA O=C(c1cncnc1-c1ccccc1)N1CCS[C@H]2CCCC[C@@H]21 253417873 HNYOJXPXQDBXBR-IRXDYDNUSA-N 339.464 3.644 0 50 EHAA CC[C@H](Nc1cc(Cl)nc(N)n1)c1ccc(OC(F)F)cc1 152541999 DHQPVAZKCFUQHF-JTQLQIEISA-N 328.750 3.877 0 50 EHAA Cc1ccc([C@@H](NC(=O)c2ccc(O)cc2F)c2ccccn2)cc1 366239456 BJXBDPVLEHDJSH-LJQANCHMSA-N 336.366 3.754 0 50 EHAA C[C@H]1C[C@@H](N)CCN1C(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 237518436 GKMISEYKBZRDSK-FZMZJTMJSA-N 343.858 3.717 0 50 EHAA Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc3cn[nH]c3c2)o1 129926563 VTESGMKWDUJDBQ-IBGZPJMESA-N 345.406 3.554 0 50 EHAA C[C@H]1COc2ccccc2N1C(=O)CCc1cnn(-c2ccccc2)c1 175371041 LVPPDVSNETWYBW-INIZCTEOSA-N 347.418 3.619 0 50 EHAA CCS[C@@H]1CCCCN(C(=O)Nc2ccc([S@](C)=O)cc2)C1 175825805 KYGSEOZHKNGEBP-PEBXRYMYSA-N 340.514 3.564 0 50 EHAA COc1ccc(-c2ccc(NC(=O)N3CCC[C@@H](CO)C3)cc2)cc1 96131839 RIGCZEFYYPDCLS-OAHLLOKOSA-N 340.423 3.598 0 50 EHAA Clc1cccc(COc2ccccc2-c2nc3c([nH]2)CCNC3)c1 97173274 VGYYFYDZQXIWIF-UHFFFAOYSA-N 339.826 3.955 0 50 EHAA CCCN(C(=O)c1ccc2nccnc2c1)C1Cc2ccccc2C1 97173189 DLQHZZOQKXCVIP-UHFFFAOYSA-N 331.419 3.649 0 50 EHAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 253589952 BCVUFMYYVJXODV-BRIOUIRWSA-N 346.467 3.566 0 50 EHAA Cc1oc(CN(C)C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)cc1C(=O)O 299753327 XVGNTKKUDHZOOB-CABCVRRESA-N 347.798 3.702 0 50 EHAA C[C@@]1(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)CCCCO1 299760016 TWAAYDJOENJGNB-KRWDZBQOSA-N 334.803 3.570 0 50 EHAA CC(=O)c1ccc(C(=O)Nc2ccccc2Cn2ccnc2C)s1 828164152 NRNFQJUVPYDMMX-UHFFFAOYSA-N 339.420 3.756 0 50 EHAA CC(C)Cc1cc(CNC(=O)c2ccc([C@H]3CCCO3)s2)on1 670464599 PMHCVHOPOSPJQY-CQSZACIVSA-N 334.441 3.716 0 50 EHAA O=S(=O)(Cc1ccccc1)c1cc(F)c(Br)cc1F 685939618 YEERHAUFCMSOHX-UHFFFAOYSA-N 347.180 3.701 0 50 EHAA CC[C@@H](C)[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)C(=O)O 62742118 UOAPBVAOUIPKES-LDYMZIIASA-N 327.306 3.560 0 50 EHAA Cc1noc(C)c1CNC1CCC(Oc2ncccc2Cl)CC1 186515154 OLWYBXZGQDDSJA-UHFFFAOYSA-N 335.835 3.820 0 50 EHAA Cc1cccc(Nc2nnc(SCc3cc(C)n(C)n3)s2)c1 676027522 VJBMYNJFVNAUDG-UHFFFAOYSA-N 331.470 3.924 0 50 EHAA Cc1ccc(SCC(=O)N2CCC(Nc3nccs3)CC2)cc1 190439316 JKVYDZNWAZOAHW-UHFFFAOYSA-N 347.509 3.647 0 50 EHAA COCc1ccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)o1 191209913 OLDFEVSUTVFVPU-GFCCVEGCSA-N 335.350 3.724 0 50 EHAA Cc1ccc(CC(=O)Nc2ccc(Br)c(C)c2F)cn1 194785996 GVSFLBGWVVZIGL-UHFFFAOYSA-N 337.192 3.781 0 50 EHAA Cc1nn(C)c(C)c1CN(C(=O)Cc1ccc(F)cc1Cl)C1CC1 1506421057 TWNLFADEALXBRR-UHFFFAOYSA-N 349.837 3.563 0 50 EHAA Cc1nc2ccc(-n3ccnc3-c3cc(CN(C)C)cs3)cc2[nH]1 1772808891 DVANMZQIXODVCG-UHFFFAOYSA-N 337.452 3.847 0 50 EHAA Cc1cccc2nc(CNc3ccc(-c4nc(C5CC5)no4)cn3)cn12 12317739 GFVBOOXCWVCICL-UHFFFAOYSA-N 346.394 3.577 0 50 EHAA COc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1CC=CCC1 12318504 NPYHCBGATHLKNW-OAHLLOKOSA-N 338.407 3.855 0 50 EHAA O=C(CCc1ccccc1)N1CCC[C@H](Nc2ccc(F)cc2)C1 12705804 NYLVHYYPTZQWLP-IBGZPJMESA-N 326.415 3.861 0 50 EHAA CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 13710635 VGTNTKDONXPLQN-CQSZACIVSA-N 326.396 3.668 0 50 EHAA CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O2 3776608 KBFCVOAVUKWCPS-YNNPMVKQSA-N 336.472 3.523 0 50 EHAA in-vitro CC(C)c1nc(C=Cc2ccc(-n3cccn3)cc2)ncc1C(=O)O 1857533009 AMSWMPJBCBPZOA-UHFFFAOYSA-N 334.379 3.654 0 50 EHAA O[C@@H](CCN1CCc2[nH]nc(-c3ccccc3)c2CC1)c1ccccc1 1857672336 SDWCPDDKSRGZBV-NRFANRHFSA-N 347.462 3.601 0 50 EHAA CC(C)CCc1cc(NC(=O)Cc2c[nH]c3cc(F)ccc23)n(C)n1 252494918 OHZARHWCIHSPDB-UHFFFAOYSA-N 342.418 3.810 0 50 EHAA Cc1nnc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)s1 253418417 LMVJKAJVIHCLDB-GFCCVEGCSA-N 334.514 3.561 0 50 EHAA Cc1nc(-c2ccccn2)nc(N2CCO[C@@H](c3ccccc3)C2)c1C 264545820 FSYLRECDFZFLRC-LJQANCHMSA-N 346.434 3.733 0 50 EHAA Cc1cc(NC(=O)N[C@H](C)c2ccc(F)cc2F)cn2ccnc12 1205706013 YHXNOYDTZJRXCE-LLVKDONJSA-N 330.338 3.804 0 50 EHAA Cc1cccc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)c1N 1875294435 RVQWYDRLIHLLCI-UHFFFAOYSA-N 348.450 3.548 0 50 EHAA CCC[C@@H](C)[C@H](C)NC(=O)c1nn(C(C)(C)C)cc1Br 1875307086 JXMHDQDKYZETIG-MNOVXSKESA-N 344.297 3.955 0 50 EHAA O=C1CCC[C@H](c2ccc(-c3ccc(Cc4nnco4)cc3)cc2)N1 2325777866 KZXUDFOHPZYHEG-GOSISDBHSA-N 333.391 3.669 0 50 EHAA c1ccc([C@@]2(NCc3cnc(-c4ccsc4)s3)CCNC2)cc1 2325825876 GFDVUDMOZOWHPQ-GOSISDBHSA-N 341.505 3.850 0 50 EHAA CCC[C@H]1c2ccccc2CCN1C(=O)Nc1cccc2c1CNC2=O 2325883496 GZFMMNJVIJWWGI-IBGZPJMESA-N 349.434 3.861 0 50 EHAA COC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 470671 GDCBRWATCXVCAB-ZDUSSCGKSA-N 329.421 3.901 0 50 EHAA C[C@@H](O)CN(Cc1cccc(Cl)c1)C(=S)Nc1ccccc1 528568 ZMZMFOMLBOGNPD-CYBMUJFWSA-N 334.872 3.920 0 50 EHAA CCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 2027126 PNSWZSHSAMSVBG-UHFFFAOYSA-N 325.817 3.564 0 50 EHAA COc1ccc2c(c1)CCc1c(C(=O)N3[C@@H](C)CCC[C@H]3C)noc1-2 2466011 UBFJCZDARHIOFN-BETUJISGSA-N 340.423 3.852 0 50 EHAA CSc1ccccc1NS(=O)(=O)c1cccc2cccnc12 2770677 YBRMJNYNDSJRDP-UHFFFAOYSA-N 330.434 3.758 0 50 EHAA FC(F)(F)c1cc(-c2ccc(Br)cc2)nc2ncnn12 2800572 NENJVLJVDUJQHM-UHFFFAOYSA-N 343.106 3.573 0 50 EHAA C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccncc1 2872897 GIIFVCYFVNHZLX-SECBINFHSA-N 339.620 3.989 0 50 EHAA CCCCC1=NN(C(=O)c2ccccc2Cl)[C@@](O)(C(F)(F)F)C1 4163495 YZMGXENCDKXJTR-AWEZNQCLSA-N 348.752 3.983 0 50 EHAA O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1 4814423 BGWCVFVVICITEJ-LLVKDONJSA-N 338.810 3.599 0 50 EHAA CSc1nnc(-c2ccc(NC(=O)c3ccccc3F)cc2)n1C 5092793 DCQXHSCWADSUQP-UHFFFAOYSA-N 342.399 3.595 0 50 EHAA CSc1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 19758287 IKCUGBWEQJRURS-RVDMUPIBSA-N 348.493 3.888 0 50 EHAA O=C(COCc1cc(-c2ccco2)on1)Nc1ccccc1Cl 20508063 XGLOBDAABGIHSX-UHFFFAOYSA-N 332.743 3.743 0 50 EHAA Cc1noc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 33086905 HHQJYZZINSNDMT-SNVBAGLBSA-N 346.861 3.532 0 50 EHAA Clc1cc2c(c(CN3CCN(c4ccccc4)CC3)c1)OCOC2 54313246 SWNPDAHTEKVXPD-UHFFFAOYSA-N 344.842 3.529 0 50 EHAA O=C(NCCN1CCCCC1)c1cccc(NCc2cccs2)c1 55108491 XZGPGNCHSSCGCJ-UHFFFAOYSA-N 343.496 3.576 0 50 EHAA CC(C)(C)c1cn(C[C@@H]2CCCN(C(=O)C3CCCCCC3)C2)nn1 63884096 OKSSRQKYGJETEJ-MRXNPFEDSA-N 346.519 3.785 0 50 EHAA Cc1cc(CC(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)on1 71764306 NDNCMMXTYHTPNJ-INIZCTEOSA-N 330.403 3.536 0 50 EHAA Cc1cc2nc(C(C)C)cc(NC[C@@H](O)c3ccc(Cl)cc3)n2n1 72425537 AEVHZOGEBAKFFE-MRXNPFEDSA-N 344.846 3.960 0 50 EHAA Cc1cccc(OC2CCN(C(=O)c3sc(C)nc3C)CC2)c1 77342536 PIYXDLNMOQKMDU-UHFFFAOYSA-N 330.453 3.752 0 50 EHAA Cc1noc(C)c1C(=O)N1CCC(Oc2ccccc2Cl)CC1 77486438 OZWMMXCLVVVOEX-UHFFFAOYSA-N 334.803 3.628 0 50 EHAA Cc1nc(CCNC(=O)Cc2ccccc2C(F)(F)F)sc1C 151479800 WTZUVXCERMVRTA-UHFFFAOYSA-N 342.386 3.680 0 50 EHAA Cc1nc(COC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)oc1C 183555270 FDCANQBXEJJFHK-JTQLQIEISA-N 335.787 3.897 0 50 EHAA Cc1noc(C)c1CC(=O)Nc1cc(Br)c(F)cc1F 190596825 HWASSFDNUNNEGV-UHFFFAOYSA-N 345.143 3.513 0 50 EHAA COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3)nc2c1 216920692 KCUMQEUYGYXVSP-UHFFFAOYSA-N 331.169 3.779 0 50 EHAA C[C@@H]1[C@@H](NC[C@H](O)COCc2ccccc2Cl)CCC[C@H]1C 239302816 FOYBDPMGKFULCJ-OAOQPFQOSA-N 325.880 3.632 0 50 EHAA O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@H]1C[C@H]1c1ccco1 242305025 YUDDPXQIYMTIKQ-MXSMSXNCSA-N 329.371 3.559 0 50 EHAA C[C@@]1(F)CCCN(C(=O)Nc2nnc(-c3ccsc3)s2)C1 296484341 NIUVHHUULYDBEK-CYBMUJFWSA-N 326.422 3.623 0 50 EHAA CC[C@H](NC(=O)Cc1csc(C(C)=O)c1)c1nc(C)c(C)s1 299768600 LBKQXYMWAYJLSU-ZDUSSCGKSA-N 336.482 3.834 0 50 EHAA Cc1ccccc1CN(Cc1cccnc1)C(=O)CC1(O)CCCC1 304269472 WFMRGIKEYNQVFJ-UHFFFAOYSA-N 338.451 3.614 0 50 EHAA O=C([C@@H]1Cc2ccccc21)N1CCC[C@H]1C[C@H](O)c1cccs1 408513118 XOQQVBMJNPMVKA-UAGQMJEPSA-N 327.449 3.503 0 50 EHAA Cc1cc(C(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)no1 408515176 NEZXRIKFGUKNRA-UHFFFAOYSA-N 331.278 3.701 0 50 EHAA CSc1ccccc1-c1cccc(C(=O)NCC[C@H]2CCCN2)c1 426575025 OHMCAOVGBKKKLO-QGZVFWFLSA-N 340.492 3.947 0 50 EHAA O=C(NCc1ccc2c(c1)CCO2)N1CCCC[C@@H]1c1nccs1 426604585 RRDDPJOEXFNEQV-OAHLLOKOSA-N 343.452 3.515 0 50 EHAA Cc1nc(C)c(-c2ccc(C(=O)N3CCc4sccc4C3)cc2)[nH]1 584893954 NBNUNGLJRHRQHH-UHFFFAOYSA-N 337.448 3.954 0 50 EHAA O[C@H](CN1CCC(OC2CCC2)CC1)c1ccc(C(F)(F)F)cc1 842157235 FQNSYTTWLGWLSB-QGZVFWFLSA-N 343.389 3.772 0 50 EHAA C[C@H]1CCC[C@@H]1CNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 1459543304 VTLFDKXGCFMBGH-WCQYABFASA-N 344.436 3.705 0 50 EHAA O=C(N[C@H]1CC[C@H](OC(F)F)C1)N[C@@H]1CCc2cc(Cl)ccc21 1775988326 YWCWUHMHCZKQCT-SGMGOOAPSA-N 344.789 3.787 0 50 EHAA CN1CCO[C@H](Cn2ccnc2-c2ccccc2-c2ccccc2)C1 1857667570 WWNRSEWOPPPWEA-SFHVURJKSA-N 333.435 3.548 0 50 EHAA CCCC[C@@H]1CN(Cc2c(CC)nn(C)c2Cl)C[C@H](C2CC2)O1 1875248842 SABLZNMYSFWMTA-RHSMWYFYSA-N 339.911 3.806 0 50 EHAA O=C(C[C@@H]1CC=CCC1)NCc1nc2cccc(Br)c2[nH]1 1875271693 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EHAA CCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1 476637 CDVIOAVAALDJEQ-UHFFFAOYSA-N 345.449 3.821 0 50 EHAA aggregator CCc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 6714342 NYTGIMPBKDMDEX-UHFFFAOYSA-N 327.403 3.742 0 50 EHAA Cc1cccc(C)c1CN1CCC(n2cc(CC(C)C)nn2)CC1 55197024 YDGQNQNJJQUKSR-UHFFFAOYSA-N 326.488 3.931 0 50 EHAA O=C(Nc1ccc(Oc2cnccn2)cc1)[C@H]1CCOc2ccccc21 253416759 UBVCOXXLQHRVFO-KRWDZBQOSA-N 347.374 3.774 0 50 EHAA Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC(N)CC1 67772870 YNUZBTPHMZEXAM-UHFFFAOYSA-N 339.361 3.592 0 50 EHAA Cc1nc2cc(-c3nc(Cn4cnc5ccccc54)no3)ccc2o1 347110087 UEIFMZCEWHDJOU-UHFFFAOYSA-N 331.335 3.584 0 50 EHAA Cc1cc(C)c(NC(=O)CN(C)Cc2csc(Cl)n2)c(C)c1 253429358 MYXQMSFTVWZOFD-UHFFFAOYSA-N 337.876 3.792 0 50 EHAA O=C(Nc1cnc2n1CCCC2)C(c1ccccc1)c1ccccc1 67867818 YHBVPYRMEMPXSE-UHFFFAOYSA-N 331.419 3.990 0 50 EHAA O=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCCC1 20100595 BWXKPWKLKWVXQL-UHFFFAOYSA-N 338.854 3.704 0 50 EHAA Cc1nnc(-c2ccccc2-c2cccc(CN3CCOCC3)c2)o1 67755526 XMAAIBWKKCGLDA-UHFFFAOYSA-N 335.407 3.544 0 50 EHAA O=C(N[C@H]1CCCCC12CCCC2)c1cc(-c2ccccn2)no1 361197780 APADTTOQFMGBPU-KRWDZBQOSA-N 325.412 3.969 0 50 EHAA CCC[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)CCN1C(=O)[C@@H]1CC=CCC1 229864650 OVWIZQPGKKDXAJ-GUDVDZBRSA-N 344.499 3.539 0 50 EHAA Cc1ccc2c(c1)CN(CCC(=O)N(C)C1CCCCC1)C[C@@H](C)O2 11783867 LLNXANHLYDQUAP-QGZVFWFLSA-N 344.499 3.759 0 50 EHAA O=C(c1ccccn1)[C@@H]1CCCN(Cc2cn[nH]c2-c2ccccc2)C1 216036579 MWGAPCJLOGUGLZ-QGZVFWFLSA-N 346.434 3.567 0 50 EHAA Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 7052564 NZZIKPCATXRLSI-UHFFFAOYSA-N 340.242 3.867 0 50 EHAA Cc1noc(C)c1CC(=O)N(C)Cc1csc(-c2cccs2)n1 72407449 WCGVTOJONJEJPJ-UHFFFAOYSA-N 347.465 3.678 0 50 EHAA CSc1ncccc1C(=O)N1CCC(Oc2cccc(F)c2)CC1 77355614 POVYVIIPAPJDHE-UHFFFAOYSA-N 346.427 3.626 0 50 EHAA CC(C)Cn1cc(C(=O)N[C@H]2CCc3c(O)cccc32)c(C(F)F)n1 448984432 SJBHXGGHWXNXLB-AWEZNQCLSA-N 349.381 3.600 0 50 EHAA OC[C@@H](NCc1ccc(Br)o1)c1ccc(Cl)c(F)c1 241587949 OYJLJOPDHVGZJA-GFCCVEGCSA-N 348.599 3.658 0 50 EHAA C[S@](=O)Cc1cc(NC(=O)c2cccc3cc[nH]c23)ccc1Cl 173498864 BIZQRNFCJPGSPZ-QHCPKHFHSA-N 346.839 3.952 0 50 EHAA COc1ccc(OC)c(NC(=O)c2oc(-c3ccccc3)nc2C)c1 174146842 BQSFLBGUZPZMQS-UHFFFAOYSA-N 338.363 3.920 0 50 EHAA CC(C)(C)N1CCC(NC(=O)c2ccc(N3CCCCC3)cc2)CC1 174115652 HMUWULTWNVNWNS-UHFFFAOYSA-N 343.515 3.670 0 50 EHAA CC(=O)Nc1ccc(-n2ccnc2-c2cc(CN(C)C)cs2)cc1 82127086 XSWBFGZTVFINPD-UHFFFAOYSA-N 340.452 3.621 0 50 EHAA CCCN1CCc2ccc(NC(=O)Cc3ccccc3F)cc2C1 20272074 KJMYWELZQUWTLH-UHFFFAOYSA-N 326.415 3.775 0 50 EHAA O=C(Nc1ccsc1Cl)N1CC[C@@H](n2cc(Cl)cn2)C1 289942048 WDKFBKPCGCHATF-SECBINFHSA-N 331.228 3.730 0 50 EHAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(Cl)c2)N1 40843133 OBFZEESSNDQCJI-SJORKVTESA-N 340.810 3.598 0 50 EHAA Cc1cc2cccc(NC(=O)N(C)CCc3noc(C4CC4)n3)c2o1 96163028 BZPSLOIZZJXNAA-UHFFFAOYSA-N 340.383 3.708 0 50 EHAA CN(Cc1cc(-c2cccnc2)no1)C(=O)C[C@@H]1CCc2ccccc21 91646098 ILCPSCROKWZCFO-INIZCTEOSA-N 347.418 3.815 0 50 EHAA C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 179292065 QRFAIBOPJUZVPF-RWUQBBKRSA-N 332.875 3.686 0 50 EHAA COc1cccc2c1OCCCN(C(=O)Nc1ccc(C)nc1C)C2 96180643 XLKTXWYOZOICOZ-UHFFFAOYSA-N 341.411 3.524 0 50 EHAA CCN1C[C@H](c2ccccc2)CC2(CCN(Cc3ncc[nH]3)CC2)C1 91459979 SBQOPFSVPVJZKR-LJQANCHMSA-N 338.499 3.501 0 50 EHAA CC(=O)c1ccc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)nc1 181230442 VZXBSNOCHVGXJB-MSOLQXFVSA-N 328.387 3.516 0 50 EHAA O=C(C[C@H]1CSCCS1)Nc1ncccc1-c1ccccc1 181442340 VBSVWGHAYPLDLR-AWEZNQCLSA-N 330.478 3.926 0 50 EHAA c1ccc([C@H]2OCC[C@@H]2c2nnc([C@H]3C[C@H]3c3cccnc3)o2)cc1 299743504 NVQIPYDWEVFQTE-XLAORIBOSA-N 333.391 3.981 0 50 EHAA C[C@H](C(=O)N1CCC[C@H](c2ccccn2)C1)c1ccc(F)cc1F 1347787537 OTMSIQUZNQJOFC-KBPBESRZSA-N 330.378 3.870 0 50 EHAA c1ccc(-n2nccc2CNC[C@H]2CCCN(C3CCCC3)C2)cc1 952960080 BANAVHMDNDIBNB-GOSISDBHSA-N 338.499 3.617 0 50 EHAA Cn1ccnc1C(=O)N(Cc1cccnc1)[C@@H]1CCCc2ccccc21 952985084 BIKWVWLLXSFQJL-LJQANCHMSA-N 346.434 3.535 0 50 EHAA Cc1ccc(NC2(C(=O)NC3(CO)CCCC3)CCCCC2)cc1 952967689 BOJLOGRLKWCTEX-UHFFFAOYSA-N 330.472 3.531 0 50 EHAA COc1cc(F)cc(N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 170592494 AJUZAFKKMUURQP-LIRRHRJNSA-N 329.419 3.552 0 50 EHAA O=C(NC1(Cc2ccccc2)CCCCC1)[C@H]1CCn2ccnc2C1 185844837 VBJKWVRENOAHLD-SFHVURJKSA-N 337.467 3.507 0 50 EHAA CCCCn1cc(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c(C)n1 185859794 DMWALCSEKJJYKK-GFCCVEGCSA-N 331.391 3.558 0 50 EHAA Cn1cncc1CCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 193379353 VZSXGBTVLAQBHK-NRFANRHFSA-N 345.446 3.679 0 50 EHAA COc1ccc(/C=C/C(=O)Nc2ccc(C)c(C)c2)c(OC)c1OC 582747 FFWGDNCXGVIBFH-DHZHZOJOSA-N 341.407 3.981 0 50 EHAA COc1c(C)cnc(CN2CCC([C@@H](O)c3cccs3)CC2)c1C 1529194787 CUWUPKOMKYCCNS-GOSISDBHSA-N 346.496 3.714 0 50 EHAA Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)ccc1Cl 216702730 HMGYCUXYYHIAAG-CVEARBPZSA-N 343.810 3.589 0 50 EHAA CCn1ccnc1CN1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 12314275 ITSDFZMVAJLIHR-HNNXBMFYSA-N 331.847 3.651 0 50 EHAA CCCc1sc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1Br 16602452 VSFPTDAAWUBOOO-MWLCHTKSSA-N 346.290 3.760 0 50 EHAA O=C(c1ccc2ccccc2c1)N1CCN(Cc2ccc(F)cc2)CC1 16604336 TVQUVOVYVOXDEW-UHFFFAOYSA-N 348.421 3.937 0 50 EHAA COc1cc(OC)cc([C@@H](C(=O)O)N2CCC[C@@H]2c2cccs2)c1 652377061 VDPOXYYRMTXWEL-WBVHZDCISA-N 347.436 3.728 0 50 EHAA CCc1nc2c(s1)[C@H](N(C)Cc1ncnn1C(C)(C)C)CCC2 239653982 BMAUSHCGLHHKSU-CYBMUJFWSA-N 333.505 3.561 0 50 EHAA Cc1nc(CN2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c(C)o1 660103945 KFKYYZTUGNOYRD-ZDUSSCGKSA-N 347.846 3.527 0 50 EHAA CC[C@H](NC1CCC2(CC1)C(=O)Nc1ccccc12)c1ccncc1 163783184 DUPOOIXWCVZNQI-JGCRXCKMSA-N 335.451 3.955 0 50 EHAA Cc1ncsc1CN1CCC([C@@H](CC(=O)O)c2ccccc2)CC1 901599700 NDFKJUNEYYAGPZ-KRWDZBQOSA-N 344.480 3.922 0 50 EHAA COCc1nccc(N[C@@H]2CCOc3c2ccc(Cl)c3Cl)n1 893472596 NQHWELMJVFZDTO-LLVKDONJSA-N 340.210 3.866 0 50 EHAA Fc1cc([C@@H](NCc2cc[nH]n2)C2CC2)c(F)cc1Br 1775985192 OKAQDOMKRYGTEH-AWEZNQCLSA-N 342.187 3.691 0 50 EHAA CC(=O)Nc1nc2cnc(Nc3ccc4[nH]cc(C)c4c3)nc2s1 2325839791 FEDHBRNUAZBROR-UHFFFAOYSA-N 338.396 3.578 0 50 EHAA Cc1ccc([C@H](CC(=O)N(C)C2CCC(F)(F)CC2)C(=O)O)cc1 899831510 SXAVOFKJOOKMNR-HNNXBMFYSA-N 339.382 3.590 0 50 EHAA Fc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1F 62796 OEGJBRZAJRPPHL-UHFFFAOYSA-N 340.293 3.778 0 50 EHAA in-vitro O=C(Nc1ccccc1F)c1ccc(Cn2cc(Cl)cn2)cc1 96558 CQUSEXTURMSIFX-UHFFFAOYSA-N 329.762 3.976 0 50 EHAA O=C(Cc1ccc(F)cc1F)Nc1ccc(Br)cc1 211864 FMRLMGLLDPKZRK-UHFFFAOYSA-N 326.140 3.909 0 50 EHAA O=C(CCCOc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 1773594 YUJXOORQUDEWPA-UHFFFAOYSA-N 347.798 3.909 0 50 EHAA C[C@H](NC(=O)C[C@@H](C)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 2464406 JNDAQUMQXJWVKQ-IKGGRYGDSA-N 338.451 3.767 0 50 EHAA CCc1ccc(C(=O)C[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 2471151 FLQDWYINAVROCG-QGZVFWFLSA-N 340.375 3.751 0 50 EHAA CCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 4225252 MDYSZPHLVHPHLT-QGZVFWFLSA-N 333.435 3.962 0 50 EHAA CCCCOc1cccc(OCCN2CCC(C(=O)OCC)CC2)c1 6701566 CIRKGODNPWWRCS-UHFFFAOYSA-N 349.471 3.519 0 50 EHAA O=c1cc(CNC2(c3ccc(Cl)cc3)CCC2)nc2ccccn12 225548853 CMVMSCSUXZPMLM-UHFFFAOYSA-N 339.826 3.517 0 50 EHAA CCc1nc([C@@H](C)NC(=O)Nc2cccnc2N2CCCC2)cs1 111428182 PPFXGPKTISGSKQ-GFCCVEGCSA-N 345.472 3.583 0 50 EHAA CN1CCN(CCCCOc2ccc(Cc3ccccc3)cc2)CC1 20653002 BYSRLFWJDHRRNL-UHFFFAOYSA-N 338.495 3.684 0 50 EHAA c1ccc(-c2ncc(CN3CCC[C@@H](N4CCCC4)C3)s2)cc1 20993086 ZCUKYYPOCIKDJQ-QGZVFWFLSA-N 327.497 3.870 0 50 EHAA Cc1cccc(-c2ncc(CN[C@@H](C)Cc3ncccc3C)cn2)c1 55405121 IKUCLTFNHZFPKY-KRWDZBQOSA-N 332.451 3.876 0 50 EHAA CCCC(=O)Nc1ccc(NC(=O)c2c(CC)noc2C)cc1OC 55182578 OOAREUXYAPBROJ-UHFFFAOYSA-N 345.399 3.545 0 50 EHAA CCCN(C/C=C/c1ccccc1)C(=O)c1csc(CN(C)C)n1 55307910 XSBIJNVJZPIBFP-DHZHZOJOSA-N 343.496 3.770 0 50 EHAA Fc1ccc(-c2cnnc(NCc3ccc4ncccc4c3)n2)cc1 11937283 NBYOZAQVFVGCHB-UHFFFAOYSA-N 331.354 3.838 0 50 EHAA CCc1cc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)oc1CC 121951304 XAEIEOIGAVXBMC-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA CC(C)c1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1 33088737 BZPMETWVWWYTKD-UHFFFAOYSA-N 332.403 3.933 0 50 EHAA COc1ccc(CN2CCC[C@@H](OCc3ccccn3)C2)cc1Cl 215834500 JEOFQJIQXBGPAO-QGZVFWFLSA-N 346.858 3.925 0 50 EHAA O=C(c1cncnc1-c1ccccc1)N1CCS[C@@H]2CCCC[C@@H]21 253417867 HNYOJXPXQDBXBR-DLBZAZTESA-N 339.464 3.644 0 50 EHAA CCc1nc(CCn2ccnc2-c2ccc3c(c2)OCCO3)cs1 77523601 FSRLWCKUIBGXJW-UHFFFAOYSA-N 341.436 3.583 0 50 EHAA CC(C)c1cc(NCc2nncn2C2CCCCC2)n2nccc2n1 72409196 BMNSBAPROVIUNX-UHFFFAOYSA-N 339.447 3.562 0 50 EHAA O=C(O)c1ccc(C(=O)Nc2nc3ccccc3n2C2CCCC2)o1 238023036 NDNNHHOBZDVZRC-UHFFFAOYSA-N 339.351 3.695 0 50 EHAA CCc1c(C(=O)NCC2(c3ccccn3)CC2)cnn1C(CC)CC 241923280 UEQBXGIDQTZXQI-UHFFFAOYSA-N 340.471 3.663 0 50 EHAA O[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2cc(-c3ccco3)on2)C1 340241051 XMDOMIGGJOPUJF-BBRMVZONSA-N 346.333 3.521 0 50 EHAA O=C([C@H]1CCC[C@H](O)C1)N(Cc1c(F)cccc1Cl)C1CC1 222740862 LJRIKKJNWKEKDP-AAEUAGOBSA-N 325.811 3.521 0 50 EHAA O=C(NCCc1cccnc1)N1CCc2cc(-c3ccccc3)oc2C1 177345341 SCGHIUWGNXUVDY-UHFFFAOYSA-N 347.418 3.652 0 50 EHAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 95383570 DFTJIFVHPBIGDR-QGZVFWFLSA-N 341.455 3.639 0 50 EHAA COCC1(C(=O)N(C)Cc2ccc(OC)c3ccccc23)CCC1 97360056 SYJUODNUHYCZAJ-UHFFFAOYSA-N 327.424 3.624 0 50 EHAA CO[C@H](C)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 180910769 HLVUWYKJCFMSLS-CQSZACIVSA-N 340.452 3.515 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)c2cccc(-c3cccnc3O)c2)on1 299769496 NKMJVFMOSBSQJW-QGZVFWFLSA-N 349.390 3.728 0 50 EHAA Cc1sc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1C 54290218 HCOOCEPUQLAJGA-UHFFFAOYSA-N 338.480 3.630 0 50 EHAA O=C(c1cc(Cl)nc(Cl)c1)N1CCS[C@@H](C(F)(F)F)C1 721407809 UMRKWJPDTGYCKJ-SSDOTTSWSA-N 345.173 3.508 0 50 EHAA CC[C@H]1CCCCN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 303041 JWMDWWPWJQCFLN-FEAKQIBJSA-N 333.428 3.517 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CC(C)(C)c3ccccc3)C[C@H]2C1 1529153198 SDYUVWSGAKFSJK-TZRIAGMCSA-N 342.527 3.932 0 50 EHAA Cc1ccsc1C(=O)N1CCC[C@](CO)(Cc2ccccc2F)C1 11952490 UMPYYAAFHUSBSZ-IBGZPJMESA-N 347.455 3.653 0 50 EHAA Cc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cs1 13331782 BASHAYDZBTUYSR-UHFFFAOYSA-N 334.872 3.981 0 50 EHAA Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)CCC(C)C)C2 14975776 QJPYYGUMNNNTTA-QGZVFWFLSA-N 338.451 3.913 0 50 EHAA CC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2C(C)C)cc1 16626465 ZPBCOYUSHBOYSU-UHFFFAOYSA-N 348.406 3.846 0 50 EHAA Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 17729860 HJODVOGEORMURW-OAHLLOKOSA-N 348.324 3.758 0 50 EHAA c1ccc(CCN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cc1 19791192 NTNSMYQJIUUYOF-QHCPKHFHSA-N 349.522 3.516 0 50 EHAA Cn1cc(CNCc2cc(-c3ccccc3)n[nH]2)c(-c2ccccc2)n1 1857533155 XJTCSQFQIOWBGA-UHFFFAOYSA-N 343.434 3.767 0 50 EHAA CC(C)Cc1nc([C@]2(c3cccs3)CC2(C)C)n(CCCO)n1 1857671701 YCBRHYVGOUAQDB-GOSISDBHSA-N 333.501 3.637 0 50 EHAA O=C(O)c1ccc(C(=O)Nc2cccc(Cl)c2-n2cccn2)s1 916507820 KGKALJKPJWAGAT-UHFFFAOYSA-N 347.783 3.538 0 50 EHAA CC(C)N(Cc1ccccc1F)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875290510 MZTGHGHUISAQQX-QWHCGFSZSA-N 345.418 3.622 0 50 EHAA O=C(Nc1cnc2ccccc2c1)N1CC(c2ncc(C3CC3)cn2)C1 1776005608 LNAHJPHLQODVBC-UHFFFAOYSA-N 345.406 3.534 0 50 EHAA C[C@H](NCc1ccc(C2CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 253415988 YLMYBQLPGCQTPI-AWEZNQCLSA-N 330.472 3.909 0 50 EHAA CC[C@]1(C)OC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)[C@@]1(C)O 4727294 NFDZMYANUCAPEO-IRXDYDNUSA-N 336.819 3.693 0 50 EHAA O=C(O)[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1c1cc(F)cc(F)c1 2325806698 APVFRHLAZWBEOX-BBDZXRDTSA-N 343.373 3.778 0 50 EHAA COc1ccc(OC)c(NC(=O)c2c(-c3ccccc3)noc2C)c1 178940 YLANFWHMRZXKRN-UHFFFAOYSA-N 338.363 3.920 0 50 EHAA O=C(O)CCSc1nnc(-c2ccccc2)n1-c1ccccc1 309471 HXFPMQFTRHHUQR-UHFFFAOYSA-N 325.393 3.501 0 50 EHAA COc1ccc(Cl)cc1NCCC(=O)c1ccc2c(c1)OCO2 2521081 OYAOYDLCLYLNGM-UHFFFAOYSA-N 333.771 3.762 0 50 EHAA C[C@H](c1ccco1)N(C)C(=O)NC[C@H]1CCO[C@H]1c1ccccc1 245343992 WWBARMBQTAPAFJ-KYJSFNMBSA-N 328.412 3.760 0 50 EHAA CN(C)CC[C@]1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 3989601 HIVBATDUVFEJFZ-LJQANCHMSA-N 329.827 3.900 0 50 EHAA in-vitro COCCNC(=O)c1sc2cc(Br)ccc2c1Cl 4750084 XGHFUDZGHISJHG-UHFFFAOYSA-N 348.649 3.693 0 50 EHAA CCCN(Cc1ccc(OC)cc1)C(=O)c1nn(C)c2ccccc12 55357984 GEAHXGNSUQBJFO-UHFFFAOYSA-N 337.423 3.634 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)Cc2cc3c(cc2Cl)OCO3)c1 55401801 WMBJQVVSFGGPAP-CYBMUJFWSA-N 332.831 3.835 0 50 EHAA COc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1C 55543011 LUCCKIRKVAXFOR-UHFFFAOYSA-N 330.859 3.979 0 50 EHAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccccc2)cc1 101703245 HOGVSPRDEKLFAH-CPLUKWAASA-N 347.414 3.801 0 50 EHAA COc1cc(-c2nnc(-c3ccccc3F)o2)cc(OC)c1OC 23279681 LCFBGDFYFWIPGW-UHFFFAOYSA-N 330.315 3.569 0 50 EHAA CC[C@H](CO)N(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccccc1C 55089124 CBOWWXYIRHBPRJ-GOSISDBHSA-N 329.488 3.789 0 50 EHAA C[C@@H]1c2ccsc2CCN1CC(=O)N(C)[C@H](C)c1ccccc1 248084245 DEUGZVSUKCVCPP-HUUCEWRRSA-N 328.481 3.887 0 50 EHAA COc1ccc(CCCNC(=O)c2ccc(-c3ccncc3)nc2)cc1 67856575 CSQKFEKJXGZBSZ-UHFFFAOYSA-N 347.418 3.515 0 50 EHAA CCCn1ccnc1CN1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 65526420 VMRDOBFFVWSDBZ-LJQANCHMSA-N 347.466 3.740 0 50 EHAA COc1c(F)ccc(-c2nc(C(C)C)nn2-c2ccccn2)c1F 65397027 XSSSMBHHMDCJSA-UHFFFAOYSA-N 330.338 3.740 0 50 EHAA Cc1cccnc1C(F)(F)C(=O)Nc1ccc(-c2ncccn2)cc1 252494556 NYMJRSHVWANUAX-UHFFFAOYSA-N 340.333 3.578 0 50 EHAA COc1cc(/C=C/c2nc3c(C(=O)O)cccc3o2)cc(OC)c1 328598376 MBFQGZFCYDYWCA-VOTSOKGWSA-N 325.320 3.714 0 50 EHAA O=C(c1cnn2ccccc12)N1CCCSc2ccc(F)cc21 253420463 JSASBMKNIRCKMY-UHFFFAOYSA-N 327.384 3.616 0 50 EHAA Cc1c(NC(=O)C2=CCCCC2)cccc1C(=O)N1CCSCC1 127249937 FRGQBURGVIELMC-UHFFFAOYSA-N 344.480 3.623 0 50 EHAA C[C@H](NC(=O)[C@@H]1CCC(=O)C[C@H]1C)c1ccc(-c2cccnc2)cc1 128396890 NQKRZBDVZFKAEX-QEEYODRMSA-N 336.435 3.931 0 50 EHAA Cc1ccc(OC2CCN(C(=O)c3ncoc3C3CC3)CC2)cc1 77439832 RXUSVENRVORYHI-UHFFFAOYSA-N 326.396 3.544 0 50 EHAA COc1cccc([C@H]2CCCCN2Cc2ccc(N(C)C)nc2)c1 72411507 LVGICTSAWYVHET-LJQANCHMSA-N 325.456 3.883 0 50 EHAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@H]1CCc2ccccc21 82166627 HISUBRUMCYGANR-FQEVSTJZSA-N 349.409 3.700 0 50 EHAA O=C(C[C@H]1CCc2ccccc21)N1CC(Oc2ccccc2F)C1 91350997 GQLNXPNFCDGBQS-OAHLLOKOSA-N 325.383 3.535 0 50 EHAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2cc(Cl)ccc2F)C1 91807793 QWROYBORVSSVNO-INIZCTEOSA-N 327.783 3.586 0 50 EHAA COc1ccc(CN(Cc2ccccn2)C[C@H]2CCCCN2C)cc1 244626638 FPODQTMPFUBSGZ-HXUWFJFHSA-N 339.483 3.577 0 50 EHAA O=C(O)c1ccc(CN(Cc2ccc(F)cc2)C2CCOCC2)cc1 263577292 RJSISAUKEWFOEO-UHFFFAOYSA-N 343.398 3.705 0 50 EHAA O=C(NCCc1ccco1)c1cccc(-c2cnn(CC3CC3)c2)c1 534593334 IBAMOHHCHQKSAX-UHFFFAOYSA-N 335.407 3.526 0 50 EHAA Cc1n[nH]c([C@H]2CCCN(C(=O)Nc3ccc4oc(C)cc4c3)C2)n1 299776433 BOBCVNNIRMIOBS-ZDUSSCGKSA-N 339.399 3.579 0 50 EHAA C[C@@H](CN)Oc1ccc(CN(C)Cc2ccc3ncccc3c2)cc1 299760771 XEBWPZVDNGXMAL-INIZCTEOSA-N 335.451 3.593 0 50 EHAA Cc1ocnc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 299755399 BTMNQEBMUSNNFO-GFCCVEGCSA-N 327.409 3.613 0 50 EHAA CCc1oc(-c2n[nH]c(Cc3cccs3)n2)cc1CN1CCCC1 823570705 ALMQNDABQCOITF-UHFFFAOYSA-N 342.468 3.875 0 50 EHAA CC[C@H](C)C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1 822559352 NVMCIJBIORMVJU-ZDUSSCGKSA-N 342.464 3.931 0 50 EHAA CCn1c(C)cc2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)N4C)ccc21 1565512914 MBTXLPFYGIBZSA-MSOLQXFVSA-N 340.471 3.670 0 50 EHAA Cc1noc(CN2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)n1 278355503 DOEWWXNEEBFUGV-UHFFFAOYSA-N 349.434 3.529 0 50 EHAA Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@H]1CCCO[C@@H]1C 189929193 HSDJAQPZXJUASD-XLIONFOSSA-N 338.451 3.734 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)c2ccc(Br)o2)cc1 444387 XRMAQIQTRANVQH-UHFFFAOYSA-N 337.173 3.643 0 50 EHAA Cc1oc2c(c1C(=O)N(C)Cc1cccc3cccnc13)C(=O)CCC2 1506399434 GGLTYPIQRIJTQW-UHFFFAOYSA-N 348.402 3.927 0 50 EHAA O=C(O)/C=C/C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 2114742 UAULQPZMFYZMKH-ONEGZZNKSA-N 343.191 3.696 0 50 EHAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 447698 QJEVIGPXBVNXKE-XCVCLJGOSA-N 342.826 3.829 0 50 EHAA COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2ccccn2)C1 11666482 SFROUKACHZPBCN-AWEZNQCLSA-N 344.842 3.839 0 50 EHAA O=C(C1=CCCC1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 12057964 PCXHBIIQZQLXFL-UHFFFAOYSA-N 333.859 3.594 0 50 EHAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2cccc(C)n2)C1 12304937 RXZZHRMEBJNAFZ-OAHLLOKOSA-N 342.414 3.633 0 50 EHAA C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(C(F)(F)F)nc2ccccc21 15945169 FVZGLESQZIKOLB-TXEJJXNPSA-N 339.361 3.845 0 50 EHAA CCc1ccc(CN2CCc3c(-c4ccccc4)nn(C)c3CC2)nc1 1857671563 IFEHXYKNSGEVNV-UHFFFAOYSA-N 346.478 3.645 0 50 EHAA CCOc1ccc2nccc([C@H](O)[C@H]3C[C@H]4CCN3C[C@H]4CC)c2c1 1680868 SUWZHLCNFQWNPE-LYDRAKHJSA-N 340.467 3.787 0 50 EHAA biogenic,in-vitro Cc1noc(C2CC2)c1NC(=O)Nc1cccnc1OCC(F)F 122315398 TXKAITJYNXOZHT-UHFFFAOYSA-N 338.314 3.543 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)c1cc(N(C)C)c2ccccc2n1 253407787 KWIADRZWFXPLIZ-UHFFFAOYSA-N 336.395 3.727 0 50 EHAA CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(CC(=O)O)cc1 1875270799 CHQWIKYQYHLLDX-UHFFFAOYSA-N 345.370 3.882 0 50 EHAA COCCn1cc(NC(=O)N[C@H](C)c2cccc(C(C)C)c2)cn1 1875277527 PGQSJOWKOSBVLR-CQSZACIVSA-N 330.432 3.536 0 50 EHAA Cc1ccccc1CO[C@H](C)C(=O)NCc1ccc(-c2cc[nH]n2)cc1 1875338672 HCNBINHQJLQLRJ-MRXNPFEDSA-N 349.434 3.607 0 50 EHAA Clc1ccc(-c2n[nH]cc2CN=c2[nH]c3cccc(Cl)c3[nH]2)o1 1875320517 SHGSJQWCLNKTSI-UHFFFAOYSA-N 348.193 3.887 0 50 EHAA Oc1cccc2c1CC[C@H]2N=c1[nH]c2cccc(Br)c2o1 1875343018 CPXWBQRFRURIJX-GFCCVEGCSA-N 345.196 3.817 0 50 EHAA COc1ccc(NC(=O)N2CC[C@@]3(CCc4ccccc43)C2)c(F)c1 880315092 WNXDQLOWRDYEJV-FQEVSTJZSA-N 340.398 3.956 0 50 EHAA Cc1ncoc1-c1noc([C@@H]2CCCCN2Cc2cccc(F)c2)n1 1776006024 LVDLJCMUOGWTRL-HNNXBMFYSA-N 342.374 3.899 0 50 EHAA COc1ccc(/C=C/C(=O)NCCc2ccc(Cl)cc2)cc1OC 303838 SYGUSPBTMPWOHT-UXBLZVDNSA-N 345.826 3.729 0 50 EHAA CC(C)c1ccc(NC(=O)NC[C@H]2CC[C@]3(CCCOC3)O2)cc1 2325775732 MRXOKGKMTMUCDA-MJGOQNOKSA-N 332.444 3.660 0 50 EHAA CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1 214033 KFEJQUWLSAUSBF-UHFFFAOYSA-N 325.368 3.728 0 50 EHAA Cc1onc(-c2ccccc2Cl)c1C(=O)n1nnc2ccccc21 340097 OTCFUUAYYIMHPO-UHFFFAOYSA-N 338.754 3.737 0 50 EHAA COc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3F)no2)c1 423700 DKCRBOIZGJIHQL-UHFFFAOYSA-N 330.290 3.881 0 50 EHAA Fc1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)cc1 612455 NKFQZUYZZZAQLA-UHFFFAOYSA-N 326.356 3.571 0 50 EHAA CCCOC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 1771303 YACSXIQXUNFNJZ-UHFFFAOYSA-N 347.798 3.924 0 50 EHAA COc1ccc(Cl)cc1-n1nc([C@@H](C)O)nc1CCC=C(C)C 2356161193 KFQQSGQOZPOWQZ-GFCCVEGCSA-N 335.835 3.881 0 50 EHAA Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=S)NC1CCCC1 2858627 IKTKOSYJMBCPBZ-UHFFFAOYSA-N 346.475 3.916 0 50 EHAA CCCCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 2879624 JIJCZUGYMSGKOP-UHFFFAOYSA-N 338.451 3.828 0 50 EHAA COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(C)C 4195624 SSOQYRTVEFFMIO-UHFFFAOYSA-N 343.379 3.506 0 50 EHAA O=C(CCc1c[nH]c2ccccc12)OCc1nnc(-c2ccccc2)o1 4286464 IWUBAFUUZKAICT-UHFFFAOYSA-N 347.374 3.894 0 50 EHAA O=C(N[S@](=O)Cc1ccccc1)c1cccc(-c2ccoc2)c1 225692379 XXGIFVTWNIJEAQ-HSZRJFAPSA-N 325.389 3.540 0 50 EHAA CC(C)(C)[C@@H]1NC(=O)N(CCCc2ccc(C(F)(F)F)cc2)C1=O 225826787 BFXGODPFLYHTCI-CYBMUJFWSA-N 342.361 3.605 0 50 EHAA CN(Cc1nc(-c2cccnc2)no1)Cc1c(F)cccc1Cl 54218686 NZRBVGUQIDGBQI-UHFFFAOYSA-N 332.766 3.556 0 50 EHAA c1ccc(Oc2cccc(OCCCCN3CCOCC3)c2)cc1 23115513 ITMFFYLYHFRPSA-UHFFFAOYSA-N 327.424 3.970 0 50 EHAA Cc1nc(N2CCCCCCCC2)nc2cc(S(C)(=O)=O)ccc12 67674303 NGAMEGCVVMPLPM-UHFFFAOYSA-N 347.484 3.502 0 50 EHAA c1ccc(-c2cnn3cc(CN4CCO[C@@H]5CCCC[C@H]54)cnc23)cc1 67714684 OPUFAGGIUBBUMR-WOJBJXKFSA-N 348.450 3.540 0 50 EHAA CCN(C(=O)c1ccc(OCc2ccccc2)nc1)c1cccnc1 171502726 JBFJBAQJBIBZAR-UHFFFAOYSA-N 333.391 3.722 0 50 EHAA CC(C)=CC(=O)NCC1CCN(Cc2cccc3cnccc23)CC1 67650320 CFLXRQGGBSTZHX-UHFFFAOYSA-N 337.467 3.529 0 50 EHAA CC(C)CCc1noc(CN[C@H](c2ccccc2)C2(CO)CCC2)n1 433320252 RLPOGMWAQCCYJS-LJQANCHMSA-N 343.471 3.652 0 50 EHAA Cc1cc(S(=O)(=O)N2CCc3ccccc3C2)c(C)cc1Cl 6527741 IRQBBUZTHOCGGF-UHFFFAOYSA-N 335.856 3.704 0 50 EHAA Cc1cc(CN[C@@H](Cc2ccccc2)c2ccccc2)nc(N(C)C)n1 241815954 SEKMGBRWZCVKBR-NRFANRHFSA-N 346.478 3.925 0 50 EHAA Cc1noc([C@@H]2CCCCN2Cc2ccc(CCC(C)(C)O)cc2)n1 72430538 PMGRPJZHXWZROH-SFHVURJKSA-N 343.471 3.809 0 50 EHAA Cc1ccccc1[C@H]1CCCN(C(=O)c2cccc(-n3cnnc3)c2)C1 77438037 SWSUVXHWAOXSKG-SFHVURJKSA-N 346.434 3.596 0 50 EHAA CC1(C)CN(C(=O)Nc2ccc(C(F)(F)F)nc2)[C@@H]1[C@@H]1CCCO1 290064808 BWUPJWDJKAXCMM-WCQYABFASA-N 343.349 3.522 0 50 EHAA CC1(C)C[C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)C(C)(C)O1 180534753 DBRSJYOWRGTDDS-QGZVFWFLSA-N 330.472 3.753 0 50 EHAA FC(F)(F)c1ccc([C@H]2CN(Cc3cncs3)CCO2)cc1 180775764 SIGKZSSILSSSCO-CQSZACIVSA-N 328.359 3.735 0 50 EHAA C[C@@H]1CCCCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 184405540 ALCGLOWLSMVVHI-CQSZACIVSA-N 341.459 3.971 0 50 EHAA Cc1cc2oc(=O)c3c(c2c2c1[C@H](c1ccco1)CC(=O)O2)CCC3 263585047 DNIYTHCTCMIODA-ZDUSSCGKSA-N 336.343 3.624 0 50 EHAA biogenic C[C@H]1CCCCN1C1CN(Cc2cc(CN3CCCCC3)cs2)C1 822409509 BIJJDPQUBPNVJV-KRWDZBQOSA-N 347.572 3.793 0 50 EHAA CCNc1ncc(C(=O)Nc2cc(-c3ccc(C)o3)[nH]n2)cc1Cl 1469470818 XLSPQINOWKKRJY-UHFFFAOYSA-N 345.790 3.711 0 50 EHAA C[C@H](CNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)CC1(C)OCCO1 170644480 RPBMBFYIVFRNQZ-MHRRILLUSA-N 349.515 3.888 0 50 EHAA O=C(NCCC[C@@H]1CCCCO1)c1cc(Br)cs1 186709621 CVIGLGGMBQEZEW-NSHDSACASA-N 332.263 3.590 0 50 EHAA CCOc1ccc2c(c1)[C@H](NCc1cnn(CC(C)C)c1)CCO2 187549038 JXPQPDGHJAXGRZ-GOSISDBHSA-N 329.444 3.551 0 50 EHAA Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 189338963 RMBVVCFCJLEBHC-DLBZAZTESA-N 325.456 3.983 0 50 EHAA COCCc1ccccc1NC(=O)N[C@H]1CCOc2c(F)cccc21 189547065 ULJOGWFPQOWCQS-KRWDZBQOSA-N 344.386 3.660 0 50 EHAA Cc1c(Br)ccc(NC(=O)N2CCCO[C@H](C)C2)c1F 194216653 UEMCRSMYNOGYKS-SECBINFHSA-N 345.212 3.539 0 50 EHAA O[C@@H]1CCCN(Cc2ccc3c[nH]nc3c2)[C@H]1CCc1ccccc1 660904960 VJLNWNIYRREZCZ-LEWJYISDSA-N 335.451 3.521 0 50 EHAA CC(C)(C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1)n1cccc1 1506404560 YTERCTTXJZIDTH-HNNXBMFYSA-N 336.439 3.506 0 50 EHAA Cc1ccc(NC2(C(=O)NCc3cscn3)CCCCC2)cc1 1506419427 BZWWTPFCYDDBBK-UHFFFAOYSA-N 329.469 3.883 0 50 EHAA COc1ccc(CN(C)[C@@H]2CCN(c3ccccc3)C2)c2cccnc12 1506407663 JOOYSYSRQFXHHY-LJQANCHMSA-N 347.462 3.954 0 50 EHAA Clc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2CC3)cc1 13124877 GFCLNQMRKBDWHH-GOSISDBHSA-N 334.810 3.957 0 50 EHAA Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 16603818 DMOCEBPUFAUPTL-UHFFFAOYSA-N 334.872 3.668 0 50 EHAA CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C(C)(C)C)on1 16605462 AVKJYEMIYPNXQY-AWEZNQCLSA-N 332.400 3.777 0 50 EHAA CC1=NN(c2nc(C)cc(C)n2)C(=O)[C@@H]1Cc1cccc2ccccc12 18240673 RWEOPSULUDRVEY-LJQANCHMSA-N 344.418 3.828 0 50 EHAA O=C1S[C@@H](Nc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 1162263 CTSLWDLUNCRRHR-CQSZACIVSA-N 332.812 3.974 0 50 EHAA Cc1cc(CN(C)C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)no1 253427779 DXGKLQRYSKEESX-HOCLYGCPSA-N 331.391 3.600 0 50 EHAA C[C@H](NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1N)c1cccc(Cl)c1Cl 262611285 BAUQEYBRMBCXOB-POQLTPHZSA-N 327.255 3.544 0 50 EHAA Cc1ccc2oc(N3CCC[C@H](c4nnc5ccccn45)C3)nc2c1 265098522 CXMKAJNUKFRCFD-AWEZNQCLSA-N 333.395 3.563 0 50 EHAA CC(=O)c1ccc(C(=O)NC(C)(C)c2nc3ccc(Cl)cc3o2)o1 1875335512 QMTHICHVJLCYJD-UHFFFAOYSA-N 346.770 3.942 0 50 EHAA CCc1nc(C)cc(NC[C@H](c2ccc(Cl)cc2)n2ccnc2)n1 888094706 ARGLJHAFFGMPHR-MRXNPFEDSA-N 341.846 3.899 0 50 EHAA O=C(O)CC1(CC(=O)N(CCC(F)(F)F)C2CCCCC2)CC1 2325770644 QGZWZAHPTVLNTJ-UHFFFAOYSA-N 335.366 3.745 0 50 EHAA C[C@@H](Cc1ccsc1)NC(=O)[C@H](N)c1cccc(C(F)(F)F)c1 876612053 AHNWAWLSYQJUTC-IINYFYTJSA-N 342.386 3.514 0 50 EHAA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1 238067 RZAHZXSVNCHNHW-UHFFFAOYSA-N 332.425 3.569 0 50 EHAA CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 285327 AMBCVWGPUJWDJX-LJQANCHMSA-N 337.419 3.769 0 50 EHAA Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1 291406 ZMRSCXZYEIGUOB-CYBMUJFWSA-N 328.799 3.640 0 50 EHAA Cc1ccc(N2C[C@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 323380 PVSKVBPBSVOWPC-QGZVFWFLSA-N 336.435 3.912 0 50 EHAA C[C@@H](CCC(C)(C)C)NCc1ccccc1CN1CCC(O)CC1 342689100 MLJPPWQBWMEUES-KRWDZBQOSA-N 332.532 3.948 0 50 EHAA O=C(c1ccnc(Cl)c1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 55242607 HFGIZWVHLFYVSF-INIZCTEOSA-N 348.805 3.696 0 50 EHAA Cc1ccccc1-c1noc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)n1 65525671 JUUGLFKXOQFNRW-UHFFFAOYSA-N 339.443 3.698 0 50 EHAA c1csc(-c2n[nH]cc2CN2CC3(CCC3)[C@H]2C2CCOCC2)c1 425375087 TVRRUVQJYOEBAN-GOSISDBHSA-N 343.496 3.919 0 50 EHAA COc1ccc2oc([C@H](C)Nc3ncnc4c3cnn4C)c(C)c2c1 171676287 VQDSPZTWSXNDCI-NSHDSACASA-N 337.383 3.600 0 50 EHAA O=C(Nc1cccc(C(=O)NCc2ccc(C3CC3)cc2)c1)NC1CC1 252496653 POBJXKKTZWNCAN-UHFFFAOYSA-N 349.434 3.778 0 50 EHAA C[C@]1(O)N(CCc2c[nH]c3ccccc23)C(=O)OC12CCCCC2 1424757 IHNHVDHRNXPJDD-GOSISDBHSA-N 328.412 3.574 0 50 EHAA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)c2cccs2)cc1 4600859 RKQYFXQZQGKKLW-AWEZNQCLSA-N 331.437 3.991 0 50 EHAA CCCc1n[nH]cc1C(=O)N1CCC[C@H](COc2ccccc2C)C1 72431725 VWDKUOKBYVCRBB-INIZCTEOSA-N 341.455 3.602 0 50 EHAA C[C@H]1CCc2sc(C(=O)NCCc3cnc(C4CC4)nc3)cc2C1 328779691 DZQJUGLILZXGIR-LBPRGKRZSA-N 341.480 3.513 0 50 EHAA CC(C)c1nnsc1CN1CCO[C@H](c2ccc(Cl)cc2)C1 71404186 GCWCEMFGYMGSCS-AWEZNQCLSA-N 337.876 3.888 0 50 EHAA Cc1noc(C)c1CN(C)c1cc(-c2ccccc2)nc2ccnn12 72129439 FFQWMSKWGLTSMC-UHFFFAOYSA-N 333.395 3.638 0 50 EHAA CON(C)C(=O)c1cc(F)ccc1NC(=O)C[C@H]1CCC[C@@H](C)C1 240534498 GOCCOEPSAPAJNA-OLZOCXBDSA-N 336.407 3.614 0 50 EHAA Cc1cc(C)cc(N2CCN(C(=O)c3ccc4occc4c3)CC2=O)c1 77353400 OIVZKKLVORVGJG-UHFFFAOYSA-N 348.402 3.539 0 50 EHAA Cc1nc(CN2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)cs1 216182795 KMQKNPYZFOLJEQ-WMZOPIPTSA-N 331.529 3.562 0 50 EHAA Fc1ccccc1-c1ccc(CNCc2cnc3n2CCCC3)o1 376759935 XPQWSEJJNPTQGZ-UHFFFAOYSA-N 325.387 3.908 0 50 EHAA CCOC(=O)NCC(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 497174453 AWMGPLWBTNYVJO-AWEZNQCLSA-N 341.411 3.544 0 50 EHAA C[C@@H](c1ccc(-c2c(N3CCCC3)cnnc2O)cc1)N1CCCC1 426641420 SRLAFUPDIDWAIX-HNNXBMFYSA-N 338.455 3.606 0 50 EHAA Cc1oncc1C(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 223715398 AMZJLETUMPSBJN-MRXNPFEDSA-N 327.771 3.551 0 50 EHAA CN1CCC(CC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CC1 292032390 CWEZGHUNWRLOFQ-UHFFFAOYSA-N 341.282 3.610 0 50 EHAA CCc1cc(C(=O)N2CC[C@H](Cc3ccc(CO)cc3)C2)cs1 95364597 NBWLUQUYFBZMQY-MRXNPFEDSA-N 329.465 3.508 0 50 EHAA O=C(O)C[C@H]1CCCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 299743988 NCMBHWZEUNRNDY-JTQLQIEISA-N 347.308 3.562 0 50 EHAA CCCCOc1cccc(NC(=O)N2CC(c3cccnc3)C2)c1 299789513 YSDBTNXKVZMJJZ-UHFFFAOYSA-N 325.412 3.892 0 50 EHAA Fc1ccc(N2CC[C@@H](NCC3CCN(C4CCCC4)CC3)C2)cc1 826588671 OOCZOCYGRKCBCV-LJQANCHMSA-N 345.506 3.649 0 50 EHAA c1csc(CN2CCC(N[C@H]3CCc4ccccc4C3)CC2)c1 829078394 YFMPMRJDUUEYQV-IBGZPJMESA-N 326.509 3.860 0 50 EHAA Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@@H]2CCO[C@@H](C)C2)cc1 272109664 QZHVZDMBXPAPKC-GOEBONIOSA-N 343.389 3.744 0 50 EHAA Cc1ccccc1NS(=O)(=O)c1ccc(Br)s1 373828 HKFXCMZOUFCGGX-UHFFFAOYSA-N 332.244 3.620 0 50 EHAA CC(C)c1nnc(CN(C)[C@@]2(c3ccccc3)CCCCC2=O)o1 276484418 SWIJJMDZDDWYQX-LJQANCHMSA-N 327.428 3.663 0 50 EHAA COc1ccc2ccccc2c1CN(C)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1704354642 JYZDUOLEPSVRBQ-USTZCAOPSA-N 325.452 3.830 0 50 EHAA Cc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3Cl)c2n1 5205080 QAUOLKCRRZQVHH-UHFFFAOYSA-N 342.830 3.503 0 50 EHAA C/C=C/c1ccc(OCCOCCN2CCC(C)CC2)c(OC)c1 12343384 PSZQFQZIRFGAGL-SNAWJCMRSA-N 333.472 3.856 0 50 EHAA C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccccc1F 5476416 SEYSYWZIRNIDKN-SNVBAGLBSA-N 338.176 3.994 0 50 EHAA CCn1ccc(CN2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)n1 1857738728 VVLDEZCCQUEXKJ-RBUKOAKNSA-N 327.472 3.891 0 50 EHAA CCN1CCC(NC(=O)c2sc3cccc(F)c3c2Cl)CC1 6654831 SSUIGCXHMVWLDP-UHFFFAOYSA-N 340.851 3.908 0 50 EHAA O=C(O)[C@H](CCc1ccccc1)N1CCc2c([nH]c3ccccc23)C1 903898672 SFPXKXSYNRYYAC-FQEVSTJZSA-N 334.419 3.612 0 50 EHAA Cc1nocc1NC(=O)N[C@](C)(c1ccc(F)cc1)C(F)(F)F 933549208 DQPJJBJTGMBRKG-CYBMUJFWSA-N 331.269 3.721 0 50 EHAA C[C@@H]1C[C@@H](CC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)O1 1875292476 JOYDZOQJTUCIRP-BZPMIXESSA-N 329.362 3.867 0 50 EHAA Cc1nnc(-c2ccccc2-c2nnc(-c3cccc(N(C)C)c3)o2)o1 1322089714 VUTXSBPSDAOPSR-UHFFFAOYSA-N 347.378 3.828 0 50 EHAA COc1ccc(CCc2nc(-c3ccc(Br)o3)no2)cc1 118317 QGVOMMRPZGZVGH-UHFFFAOYSA-N 349.184 3.886 0 50 EHAA FC(F)(F)Oc1cccc2nc(C(F)(F)Br)[nH]c12 1775956416 YCXLYTGTNRZGEL-UHFFFAOYSA-N 331.038 3.906 0 50 EHAA Cc1cc(C(F)(F)F)ccc1CC(=O)Nc1n[nH]c2cc(O)ccc12 2325838828 ABRIDCKNSAXISL-UHFFFAOYSA-N 349.312 3.777 0 50 EHAA Cc1ccc(O[C@H]2CCN(Cc3cc(C)c4ncccc4c3)C2)nc1 858013574 TZFQCEPFBSRWCM-IBGZPJMESA-N 333.435 3.900 0 50 EHAA CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccc(Cl)cn1 193041 OOYBLRFMJPDARD-GFCCVEGCSA-N 336.848 3.651 0 50 EHAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2cccs2)cs1 816578 VCETXPQBXFFOCP-UWVGGRQHSA-N 336.438 3.701 0 50 EHAA aggregator O=C1NCc2ccccc2C1(c1ccc(F)cc1)c1ccc(F)cc1 4785592 PIGPSCHBHYGWCO-UHFFFAOYSA-N 335.353 3.929 0 50 EHAA CC(C)CN(Cc1cnn(C)c1)Cc1ccc([C@H]2CCCO2)s1 55393231 BZVUHQQFWLFZBA-QGZVFWFLSA-N 333.501 3.991 0 50 EHAA Cc1noc(-c2ccc(C(=O)N3[C@H](C)C[C@H]4CCCC[C@H]43)cc2)n1 246360693 LGORXWONEZGPON-CSMYWGQOSA-N 325.412 3.838 0 50 EHAA O=C(c1ccc2[nH]cnc2c1)N1CCCC[C@@H]1CCc1ccc(O)cc1 55269513 YLTKMLBQIJDUJT-QGZVFWFLSA-N 349.434 3.896 0 50 EHAA CCCC(=O)Nc1ccc(Nc2cc(N3CCCC3)nc(C)n2)cc1 21794125 RQIGIUPJORUWFU-UHFFFAOYSA-N 339.443 3.867 0 50 EHAA O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCCCC1 27693205 RHFMKWITYLWDKW-UHFFFAOYSA-N 333.435 3.640 0 50 EHAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N(Cc1ccsc1)C1CC1 65486541 VFJLCNVIBSHZOJ-LLVKDONJSA-N 332.473 3.534 0 50 EHAA CO[C@@H]1CCC[C@@H](CC(=O)N(Cc2ccco2)c2ccccn2)C1 280778232 PVFLDLXZHWWWEO-HZPDHXFCSA-N 328.412 3.803 0 50 EHAA Cc1cc(CN2CCCC2)cc(-c2cc(C)cc3c2O[C@H](CN)C3)c1 67920675 XILILCWNBXJWPR-FQEVSTJZSA-N 336.479 3.828 0 50 EHAA O=C(CCC(=O)OCC(Cl)=C(Cl)Cl)Nc1ccccc1 34132130 NJZRBQUTRYTRFO-UHFFFAOYSA-N 336.602 3.834 0 50 EHAA Cc1cccc2c3c([nH]c12)CCN(C(=O)c1cc(CC(C)C)no1)C3 67673715 WGKSBBOQMMIXKM-UHFFFAOYSA-N 337.423 3.861 0 50 EHAA O=C(O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)F 170221 FKEJESOARPPCIP-UHFFFAOYSA-N 339.298 3.713 0 50 EHAA CC(=O)N(C)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 2761226 YCLIAQUFKAREIX-OAHLLOKOSA-N 340.423 3.692 0 50 EHAA Cc1nn(C)cc1-n1c(S)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 2792712 QLPAOHKFUILJPP-QWHCGFSZSA-N 345.859 3.522 0 50 EHAA CC[C@H](C)c1ccc([C@H](CC)NS(=O)(=O)c2cnn(CC)c2)cc1 2804134 RUVSDNXXAQHGOL-KSSFIOAISA-N 349.500 3.846 0 50 EHAA Cc1nn(-c2ccccc2)c(Cl)c1CN1CCO[C@H]2CCCC[C@H]21 230144309 WNQQEKHMNIPKKP-MSOLQXFVSA-N 345.874 3.978 0 50 EHAA CCc1cc(-c2nccn2[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)[nH]n1 216514699 MMWXVCUWWNLWAV-BVZIGLSBSA-N 340.471 3.728 0 50 EHAA C=CC(=O)N(C)Cc1cccc(OC)c1OCc1ccccc1F 328597489 HWDVKANNXTWNDQ-UHFFFAOYSA-N 329.371 3.558 0 50 EHAA CCOc1ccccc1OCc1nc(-c2ncsc2Cl)no1 361368440 ZWIRUWCFKSOXHO-UHFFFAOYSA-N 337.788 3.824 0 50 EHAA O=C(Cc1n[nH]c2ccccc12)N[C@@H]1CC[C@H](c2ccccc2F)C1 366671096 QBAFOLCHRSNVDG-UONOGXRCSA-N 337.398 3.697 0 50 EHAA COc1cccc([C@H]2CCCCN2C(=O)CSc2ccncc2)c1 218989455 NGYKDDMFVZLNSY-GOSISDBHSA-N 342.464 3.936 0 50 EHAA CCc1nc([C@H](C)NC(=O)N2CCOC[C@@H]2c2ccccc2)cs1 369860454 GKIXKWIVCWTRKQ-XJKSGUPXSA-N 345.468 3.550 0 50 EHAA O=C(c1ccc(COc2ccccc2)cc1)N1CCCC[C@H](CO)C1 371264239 KARQLZJORRZGEL-SFHVURJKSA-N 339.435 3.500 0 50 EHAA Fc1ccc(CC2CCN(C3CSCCSC3)CC2)cc1 32523711 YZGKVTOGBIOKKL-UHFFFAOYSA-N 325.518 3.929 0 50 EHAA CCOc1ccccc1-c1nccn1CCc1nc(C)c2c(n1)CCC2 71749154 SGVZJABOTWSOSE-UHFFFAOYSA-N 348.450 3.779 0 50 EHAA Cc1nnc(CN2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)s1 72140172 YBXQUGHHLJTCKB-AWEZNQCLSA-N 331.420 3.589 0 50 EHAA Clc1ccc([C@@H]2CN(c3nc(-c4ccccc4)no3)CCO2)cc1 71639352 ZEQKZBRGNLPKFC-INIZCTEOSA-N 341.798 3.968 0 50 EHAA O=C(COCC(F)(F)F)N1CC2(CCCC2)[C@@H]1c1ccccc1 457279899 MYMAZJSCZACCPJ-HNNXBMFYSA-N 327.346 3.709 0 50 EHAA Nc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21OC(=O)c2ccccc21 43199397 OKFGUUIODGPPLE-FQEVSTJZSA-N 331.327 3.542 0 50 EHAA Cc1ccc(Cl)cc1C(=O)N1CCC[C@@H](OCc2cccnc2)C1 82126729 UNMVPNBDXNXETE-QGZVFWFLSA-N 344.842 3.865 0 50 EHAA CC(C)c1nc([C@H]2CCCN2C(=O)N2CCc3ccccc32)no1 176775659 ANCDBLRRSXJPHU-OAHLLOKOSA-N 326.400 3.513 0 50 EHAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)CCc1ccsc1 82115936 JKVUSPKXMCTKHJ-KRWDZBQOSA-N 328.481 3.666 0 50 EHAA Cc1ccc(F)c(CNC(=O)N2CCC(c3ccncc3)CC2)c1F 426425207 JESSNDXSHWSFTB-UHFFFAOYSA-N 345.393 3.757 0 50 EHAA COc1cccc(-c2nccn2[C@H]2COC3(CCCC3)C2)c1OC 82170816 USERIKQCFPFWGD-CQSZACIVSA-N 328.412 3.842 0 50 EHAA Cc1cccc(C)c1CN1CCC2(CC1)Nc1ccccc1NC2=O 82121069 SKYVSYMOIGRMBM-UHFFFAOYSA-N 335.451 3.702 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 239412391 SQIVJPSKVPIGBD-MUAIWGBPSA-N 334.202 3.551 0 50 EHAA CCc1cccc(NC(=O)N2CCC(c3nccn3CC)CC2)c1 91321711 YFINBBUAHMTMPI-UHFFFAOYSA-N 326.444 3.877 0 50 EHAA CSc1cccc(N2CCN(CCOc3ccccc3)CC2)c1 96026872 PHAIQRNDPDMYRO-UHFFFAOYSA-N 328.481 3.610 0 50 EHAA CCOc1ccc(NC(=O)N2CCC[C@@H](OC)C2)cc1C(F)(F)F 95500220 VLNWMLLXWJVBSO-GFCCVEGCSA-N 346.349 3.747 0 50 EHAA Cn1cc(CC(=O)Nc2cnn(Cc3ccccc3)c2)c2ccccc21 521597902 OLLSKPIQKSCSHJ-UHFFFAOYSA-N 344.418 3.604 0 50 EHAA O=C(NCc1nc(C2CCCCC2)no1)c1ccc2ncccc2c1 299803002 ZZAAVMYHTWHPMR-UHFFFAOYSA-N 336.395 3.596 0 50 EHAA C[C@@H](N)[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 269242546 CUEVRMZPALJCFS-YPMHNXCESA-N 329.271 3.512 0 50 EHAA O=C(N[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1ccnc(C2CC2)n1 170625838 DOJYNTVRDVANKZ-UKRRQHHQSA-N 347.340 3.659 0 50 EHAA CN(Cc1ccc(OCC(=O)O)cc1)C(=O)c1ccc2ccccc2c1 187530730 CLCWVDCXOBZHHZ-UHFFFAOYSA-N 349.386 3.575 0 50 EHAA CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)CC2CCCCC2)c1 193027086 XTCUJAGANXMGEA-CQSZACIVSA-N 337.485 3.569 0 50 EHAA O=C(Nc1cc2c(cc1Cl)OCCCO2)NC1CCSCC1 195447811 BQIQUKFLBQTHKW-UHFFFAOYSA-N 342.848 3.518 0 50 EHAA Cc1c(Br)cc(Br)c(O)c1Br 404196 QKHROXOPRBWBDD-UHFFFAOYSA-N 344.828 3.988 0 50 EHAA in-vitro CC(C)(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 815265 NHWAMXRRLFPRKW-UHFFFAOYSA-N 344.365 3.862 0 50 EHAA C[C@@H](c1cccc(CN2CCC(c3ccnc(O)c3)CC2)c1)N(C)C 1772807926 WDDFIDQPLLOJNR-INIZCTEOSA-N 339.483 3.789 0 50 EHAA O=C(Cn1nc(-c2ccco2)ccc1=O)c1ccc(Cl)cc1Cl 6760174 CMPWWQBOHSJZLM-UHFFFAOYSA-N 349.173 3.693 0 50 EHAA Cc1cnc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)s1 222320479 LYFLFISPVKIWTI-NUEKZKHPSA-N 345.468 3.732 0 50 EHAA CCc1cccc2c(CC(=O)N[C@@H](CCO)c3cccs3)c[nH]c12 761927582 BLQMWHPZGJPONT-INIZCTEOSA-N 342.464 3.574 0 50 EHAA C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)C3(C(=O)O)CC3)c2)C1 154836514 CBECHBJZNDQVJE-XJKSGUPXSA-N 331.412 3.585 0 50 EHAA CC(C)(CCCO)CNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 376943513 AAENJVOZKRZALK-GUDVDZBRSA-N 344.499 3.763 0 50 EHAA Cc1cc(OCC(=O)NC2CCCCC2)ccc1Br 449505 PSGKRNRCNGHDFY-UHFFFAOYSA-N 326.234 3.585 0 50 EHAA COc1nccc(-c2noc(C(F)=C3CCC3)n2)c1Br 904205695 ULMIXVCAQXGLIF-UHFFFAOYSA-N 340.152 3.767 0 50 EHAA C[C@@H](NC[C@H](CCO)c1ccccc1)c1ccc(C(C)(C)O)cc1 863982366 FRULLYQLRDLLND-APWZRJJASA-N 327.468 3.731 0 50 EHAA O=C(O)c1csc([C@H]2CCCN(Cc3cscc3Cl)C2)n1 1875282982 ACKBXZRHWNIZSW-VIFPVBQESA-N 342.873 3.936 0 50 EHAA O=C(N[C@H](c1ccccc1)c1ccco1)N1CC(Cc2ccoc2)C1 891633878 MMGOMFFWPGSIQJ-LJQANCHMSA-N 336.391 3.846 0 50 EHAA O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCN(C2CC2)CC1 1322121181 IQZXXEOGQUJPCB-UHFFFAOYSA-N 345.390 3.610 0 50 EHAA C[C@H]1CN(Cc2ccccc2)CCCN1Cc1csc(Cl)n1 253428069 HTKXMVKSJRQFFA-AWEZNQCLSA-N 335.904 3.893 0 50 EHAA CCc1ccc([C@@H]2CNCCN2C(=O)c2cc3ccc(C)cc3[nH]2)cc1 2325857447 BKRWMZHUWMIKHJ-NRFANRHFSA-N 347.462 3.825 0 50 EHAA CO[C@@H](CNC(=O)N[C@H]1CCc2ccc(F)cc21)c1ccc(C)cc1 2325879461 WGYWIAKNRZFXSX-OALUTQOASA-N 342.414 3.808 0 50 EHAA CCOC(=O)c1c(NC(=O)c2ccncc2)sc2c1CC[C@@H](C)C2 119529 ROCOEPFAXYRZBY-LLVKDONJSA-N 344.436 3.697 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 268425 GLTIFAPRQURZFG-UONOGXRCSA-N 331.412 3.598 0 50 EHAA COc1ccc(CC(=O)Nc2cccc3c2CCCC3)cc1OC 298890 JDGMSDOKOQHDMB-UHFFFAOYSA-N 325.408 3.764 0 50 EHAA O=C(c1cc(-c2ccc(Br)cc2)on1)N1CCCCC1 423620 SENSICKEQYFOKD-UHFFFAOYSA-N 335.201 3.730 0 50 EHAA Cc1ccc(NC(=O)CC(=O)N(C)Cc2cnc3ccccc3c2)cc1 55271971 AMGXJDRUZYGJLR-UHFFFAOYSA-N 347.418 3.530 0 50 EHAA C/C(=C\c1ccco1)CN[C@@H]1CCCN(C2Cc3ccccc3C2)C1 20914877 TUAVBQPCYPKAGO-KEWOFRHOSA-N 336.479 3.904 0 50 EHAA COc1cccc(OC)c1CN1CCC[C@H](c2[nH]ncc2C(C)C)C1 20452760 ZIHCFNAOCRPBIZ-HNNXBMFYSA-N 343.471 3.930 0 50 EHAA Cc1ccc(CN2CCN(C(=O)Nc3cc(C)ccc3C)CC2)cc1 20367165 MVJAGXJDEWDJFF-UHFFFAOYSA-N 337.467 3.962 0 50 EHAA CCOC(=O)c1cc(C)nc(N2CCC[C@@H](c3ccccc3)CC2)n1 20109876 HQUQYUSVPXPWQA-QGZVFWFLSA-N 339.439 3.736 0 50 EHAA CC(C)(C)c1n[nH]c2c1CN(Cc1ccc(-c3ccn[nH]3)s1)CC2 20781830 YLFGBONIVBGMSE-UHFFFAOYSA-N 341.484 3.717 0 50 EHAA Cc1ccccc1C1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 171706815 KRZGVXYXAYQOSA-UHFFFAOYSA-N 341.499 3.511 0 50 EHAA COc1ccc(-c2nc(Cn3cc(C)cn3)c(C)o2)c(OC)c1C 67894682 CNZIGLSXLSAOGG-UHFFFAOYSA-N 327.384 3.529 0 50 EHAA Cc1cc2oc(=O)cc(CN(C)[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)c2cc1C 252514488 CPQHCQLMUCIOGS-CWFSZBLJSA-N 341.451 3.655 0 50 EHAA CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(F)cc1)C2 2469434 AOODQXYCFAXBPW-ZDUSSCGKSA-N 329.371 3.942 0 50 EHAA C[C@H](NC(=O)c1cn(C)c(=O)c2ccccc12)C(C)(C)c1ccccc1 428711689 RJRUNCSUFNUFAI-HNNXBMFYSA-N 348.446 3.635 0 50 EHAA CCNc1nc(C)c(C(=O)N(C)Cc2nc3ccccc3s2)s1 216524620 XAGSRYPBADVKNL-UHFFFAOYSA-N 346.481 3.765 0 50 EHAA Cc1cc([C@H]2CCCN2Cc2nc(O)c3c(C)c(C)sc3n2)on1 328643612 GHMWEGPIAWINRY-GFCCVEGCSA-N 344.440 3.647 0 50 EHAA COCc1nsc(N2CC[C@@H](Cc3ccc(C(F)F)cc3)C2)n1 253419251 IZXASHLFWQDEAX-LBPRGKRZSA-N 339.411 3.691 0 50 EHAA 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GQSUSOFUTLDOJH-MRXNPFEDSA-N 338.835 3.975 0 50 EHAA Cc1nc(-c2cccc(NC(=O)C(C)(C)c3cccc(F)c3)c2)n[nH]1 119078876 LJCDRZGYDBMVGK-UHFFFAOYSA-N 338.386 3.836 0 50 EHAA CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)c2ccc(C)nc2)C1 773190940 VMFMMOFXPXXSNZ-KRWDZBQOSA-N 348.450 3.779 0 50 EHAA CCc1nc2c(C(=O)N(CC)Cc3c[nH]c4ccccc34)ccnc2[nH]1 935567989 QPJNGFZDXOXSBN-UHFFFAOYSA-N 347.422 3.664 0 50 EHAA Cc1ccc([C@@H](N[C@H](C)CCO)c2cncc(Br)c2)cc1 863984495 VWEZXIBJWQHZOC-CXAGYDPISA-N 349.272 3.602 0 50 EHAA COC1(C)CCC(Nc2cc(C(F)(F)F)cc3ncnn23)CC1 1875321195 XTPCVNBVLWHMPS-UHFFFAOYSA-N 328.338 3.508 0 50 EHAA CCO[C@H](CNCc1sccc1C1OCCO1)c1ccccc1 888097869 RDRPJLAXIVJWGC-MRXNPFEDSA-N 333.453 3.661 0 50 EHAA COC1(c2noc([C@H](NC(=O)c3ccccc3)C(C)C)n2)CCCC1 888096731 OKFKIDBDKNXWAK-OAHLLOKOSA-N 343.427 3.612 0 50 EHAA COC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(OC)cc3)cc12 407211 QHVRIKRSPIMURK-UHFFFAOYSA-N 340.331 3.756 0 50 EHAA biogenic Cn1cc([C@@H](N[C@H]2CCCc3ncccc32)c2cccc(F)c2)cn1 2325773954 HWGLNHWHKYFRFE-PMACEKPBSA-N 336.414 3.711 0 50 EHAA CCCOc1cccnc1C(=O)Nc1ccc2n[nH]cc2c1Cl 2325861670 WXOIVFSLNIYEBM-UHFFFAOYSA-N 330.775 3.652 0 50 EHAA CC[C@H](CNc1nc(C(F)(F)F)nc2ccccc12)N1CCCC1 915213113 PBXPCJDKYSXJBO-GFCCVEGCSA-N 338.377 3.935 0 50 EHAA COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(F)c(Cl)c1 181960 SNDBPRPAUIWNKT-OAHLLOKOSA-N 337.734 3.777 0 50 EHAA CC(C)Cn1c(CCNC(=O)Cc2ccccc2)nc2ccccc21 201057 BZJTZXICTDIJRS-UHFFFAOYSA-N 335.451 3.594 0 50 EHAA CCOC(=O)N1CCC(NCc2ccc(Cl)c(Cl)c2)CC1 220181 SAHWIPURPARWLG-UHFFFAOYSA-N 331.243 3.704 0 50 EHAA O=C(Nc1ccccc1I)c1ccccc1F 255651 WIMRNRJNEGSEKC-UHFFFAOYSA-N 341.123 3.683 0 50 EHAA O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1 617373 QTZDDMQEGWJHAG-UHFFFAOYSA-N 344.842 3.748 0 50 EHAA Cc1cc(O[C@@H]2CCCCC2=O)c2c3c(c(=O)oc2c1)CCCC3 407792 VPYVVRXNTFJWEK-MRXNPFEDSA-N 326.392 3.871 0 50 EHAA CN(C(=S)Nc1ccccc1)N(C)C(=S)Nc1ccccc1 4455878 DFCAUENJHLZTEL-UHFFFAOYSA-N 330.482 3.559 0 50 EHAA CCN1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 4676132 OSTMXJMDWTTWEB-UHFFFAOYSA-N 349.434 3.827 0 50 EHAA Cc1ccc(N2C(=O)/C(=C\NC(C)(C)C)c3ccccc3C2=O)cc1 100518861 APFVAARVJAOQDL-AQTBWJFISA-N 334.419 3.911 0 50 EHAA O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)[C@H]1CCOC1 110418327 PGDKDBOQYAUOMS-LBPRGKRZSA-N 326.327 3.609 0 50 EHAA COCC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 67447060 SRVNEJOMCPZPJZ-CYBMUJFWSA-N 329.362 3.523 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 329279833 DJBRNKBQHDWKKP-IKGGRYGDSA-N 333.476 3.531 0 50 EHAA COc1c(C)cnc(CNc2cc(C(C)C)nc3cc(C)nn23)c1C 72423644 BCCVXJZLODAVAM-UHFFFAOYSA-N 339.443 3.794 0 50 EHAA C[C@@H](SC(F)(F)F)C(=O)N1CCC(OCc2ccccc2)CC1 328590535 XCIFRYKFWXNBBQ-GFCCVEGCSA-N 347.402 3.836 0 50 EHAA CSc1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)CC2 33089049 IZYDKUCHKODLTC-UHFFFAOYSA-N 336.416 3.532 0 50 EHAA CCCc1ncncc1C(=O)N(CC)Cc1c(F)cccc1Cl 216043201 ZLRZRSQLDPYFNA-UHFFFAOYSA-N 335.810 3.884 0 50 EHAA CNc1nc(C)c(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)s1 77323606 VLZGQKUMGCESLE-CQSZACIVSA-N 333.432 4.000 0 50 EHAA Cc1nc(C(=O)N2CCC(Sc3ccccc3C)CC2)c(C)o1 77302780 GGUOGDKDBXXEDZ-UHFFFAOYSA-N 330.453 3.997 0 50 EHAA Cc1nc([C@@H]2CCCN2Cc2cnc(-c3ccccc3C)s2)n[nH]1 215743594 OISTYOXZSXONMU-INIZCTEOSA-N 339.468 3.882 0 50 EHAA CC(=O)[C@]12O[C@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 43760904 LHNVKVKZPHUYQO-SVMVYQPLSA-N 328.452 3.855 0 50 EHAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3ccc(F)cc3Cl)[C@H]2C1 426486145 ZKWTZDJWVUAUPC-BHYGNILZSA-N 327.827 3.638 0 50 EHAA C[C@H](NC(=O)C1CCNCC1)c1ccc(Oc2ccccc2)c(F)c1 225462532 RFOXQPREYPJCHC-AWEZNQCLSA-N 342.414 3.795 0 50 EHAA Cc1cccc(CN2CCC[C@@]3(CCN(c4ccc(C)nn4)C3)C2)c1 426509624 ZDDVGXJTMQFMGQ-OAQYLSRUSA-N 336.483 3.586 0 50 EHAA CSCc1nc(CCNc2nccc(-c3ccccn3)n2)cs1 96137868 HLVVEJORHGEBAM-UHFFFAOYSA-N 343.481 3.513 0 50 EHAA CC(C)Nc1ncc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)cn1 97324006 HYEAKEMNXJPTPW-UHFFFAOYSA-N 344.846 3.760 0 50 EHAA O=C(Nc1ccc2c(c1)OCO2)N1CCCC[C@@H]1c1nccs1 95526535 QDTPKCULOOVDDY-GFCCVEGCSA-N 331.397 3.631 0 50 EHAA COC[C@@H]1CCCN1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 95530003 HQNPKQOTKXAIJK-VYENPZKTSA-N 337.423 3.895 0 50 EHAA Cc1cc(NC(=O)c2csc(C(C)C)n2)ccc1N1CCCC1=O 828264778 AARHWUNYDLVOBN-UHFFFAOYSA-N 343.452 3.954 0 50 EHAA COc1cccc(C)c1C(=O)N(C)Cc1nccn1Cc1ccccc1 824792852 ZTWNJVLTRGNOSS-UHFFFAOYSA-N 349.434 3.521 0 50 EHAA CN(C)[C@@H](CNC(=O)c1ccc2c(c1)C=CCC2)Cc1ccccc1 170612255 INDZQJHJXRGTEQ-OAQYLSRUSA-N 334.463 3.549 0 50 EHAA Cc1cc(NC(=O)c2ccc(C(=O)O)nc2)ccc1Oc1ccncc1 683794509 NVALKUOWBXXFIK-UHFFFAOYSA-N 349.346 3.528 0 50 EHAA COc1ccc([C@H]2CCCN2Cc2cc(C(=O)O)c(C)o2)cc1F 656763848 RLBFHTMMVDTANM-MRXNPFEDSA-N 333.359 3.771 0 50 EHAA Cc1cccc(C)c1[C@@H]1CCCN1C(=O)Nc1nccc(N(C)C)n1 666585664 FEVFFKPRSPSARV-HNNXBMFYSA-N 339.443 3.528 0 50 EHAA c1ccc2oc(C3CCN(C4CSCCSC4)CC3)nc2c1 1506405571 MYXIUPMPAKXLMQ-UHFFFAOYSA-N 334.510 3.856 0 50 EHAA Cc1cccc([C@H](NC2CCN(Cc3ccco3)CC2)C2CC2)n1 1506423960 YTHWRFPZKKTZET-HXUWFJFHSA-N 325.456 3.688 0 50 EHAA CC[C@H](C)C(=O)Nc1cccc(C(=O)Nc2cnn(C(C)C)c2)c1 1529167739 NJBDTBKWTWEWAR-ZDUSSCGKSA-N 328.416 3.701 0 50 EHAA COC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1 3041695 NSRAXJGJUNFYHQ-UHFFFAOYSA-N 346.597 3.643 0 50 EHAA Cc1ccccc1OC(=O)c1ccccc1I 400325 BJDLZJKNAXPXJG-UHFFFAOYSA-N 338.144 3.819 0 50 EHAA CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCO2 462124 PRQUHOSPYCFMBA-UHFFFAOYSA-N 333.771 3.865 0 50 EHAA O=C(O)Cc1c(-c2ccccc2)oc2cc3oc(=O)sc3cc12 1776111256 JEUGYWCNXMBMRY-UHFFFAOYSA-N 326.329 3.895 0 50 EHAA CCCc1c(C(=O)NC2CCCCC2)nnn1-c1ccc(C)cc1 12274630 VAQFYQDIFFYNLL-UHFFFAOYSA-N 326.444 3.591 0 50 EHAA C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@@H]1CCCO1 12383296 CQCZUELSBOMQDV-KWQFWETISA-N 327.808 3.991 0 50 EHAA COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c(OC)c1 13710266 VAVHCYZCZSMVAJ-CQSZACIVSA-N 329.396 3.727 0 50 EHAA Cc1ccccc1NC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1N 16624856 LNNFFYBNEUPMKT-UHFFFAOYSA-N 335.411 3.534 0 50 EHAA Cc1ccccc1-c1ccc(C(=O)N2CCC(C)CC2)c(N(C)C)n1 19113042 YMMYZLNYSKLCJG-UHFFFAOYSA-N 337.467 3.995 0 50 EHAA CC(C)OCCCNc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O 4741291 UZJUMVZEKPOVNK-INIZCTEOSA-N 339.439 3.616 0 50 EHAA Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCC1(CF)CCOCC1 661271875 YRXSKTKNFFIBGJ-KRWDZBQOSA-N 348.462 3.916 0 50 EHAA O=C(O)c1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 263398823 HLFCZXQMONPIEM-KRWDZBQOSA-N 331.799 3.612 0 50 EHAA Cc1nn(CC(=O)N(C(C)C)[C@H](C)c2ccsc2)c2ncccc12 905967387 CXMMVMXCKVRUON-CQSZACIVSA-N 342.468 3.799 0 50 EHAA C[C@@H](CN1CCC(c2nc(CC(=O)O)cs2)CC1)c1ccccc1 1875282971 ZOPDWEXDECMQHT-AWEZNQCLSA-N 344.480 3.753 0 50 EHAA CC1CCC(n2cc([C@H](NCc3cc[nH]n3)C(F)(F)F)cn2)CC1 1875273058 CNLBOVAZZVIVDG-KWCHVYNWSA-N 341.381 3.751 0 50 EHAA Cc1cc(Cl)cc(-c2cnc3n2CCC3)c1OC1CCNCC1 1875329542 BRPPDGMXFFGUDB-UHFFFAOYSA-N 331.847 3.589 0 50 EHAA COc1cccc([C@@H]2CCN(c3ncnc4ccsc34)C2)c1OC 1875379158 NTZXIOPFGOVOIV-GFCCVEGCSA-N 341.436 3.702 0 50 EHAA c1ccc2c(c1)ncn2-c1ccc(CNc2cnc3[nH]ncc3c2)cc1 1875341045 DEXXGQSYXAUTRB-UHFFFAOYSA-N 340.390 3.909 0 50 EHAA O=C(O)C[C@H]1CCCN(Cc2ccc(F)cc2Br)CC1 299746727 ZJTRMQHDECQRPS-NSHDSACASA-N 344.224 3.665 0 50 EHAA C[C@@H](O)c1ccc(CN[C@@H](Cn2ccnc2)c2ccc(F)cc2)cc1 2325744979 ABQVLQQRXUZXIL-QRWLVFNGSA-N 339.414 3.607 0 50 EHAA CN(Cc1ccc(N(C)C)nc1)Cc1cc2c(O)cccc2s1 2325761995 NUPOEFDJCRDMGY-UHFFFAOYSA-N 327.453 3.700 0 50 EHAA CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1OCC 265944 VRNLQACIZGLODJ-UHFFFAOYSA-N 345.395 3.754 0 50 EHAA O=S(=O)(NC1C2CC3CC(C2)CC1C3)c1ccc2ccccc2c1 318761 YKYUGLXDLJLYOE-UHFFFAOYSA-N 341.476 3.943 0 50 EHAA CC(C)N(C(=O)c1ccc(I)cc1)C(C)C 443747 YTDOXNTWNWFWPG-UHFFFAOYSA-N 331.197 3.550 0 50 EHAA CCOc1cc(-c2ocnc2CC2CC2)ccc1O[C@H](C)C(=O)O 2356144155 LCRSVMYRDAMBJM-LLVKDONJSA-N 331.368 3.545 0 50 EHAA N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1 4899492 FVGGFBMEWGARAX-IBGZPJMESA-N 329.403 3.830 0 50 EHAA in-vitro O=C(CCSCc1ccccc1)N1CCN(c2ccccc2)CC1 6697379 JOQQGEYOKIEUDF-UHFFFAOYSA-N 340.492 3.659 0 50 EHAA CCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C 8714629 OVUOTIIFZJYNEP-UHFFFAOYSA-N 340.832 3.633 0 50 EHAA CSCC[C@H](NCc1cccc(OCc2ccccc2)c1)C(=O)O 113400807 GHGVIKMALCQJCU-SFHVURJKSA-N 345.464 3.562 0 50 EHAA Cc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1Cl 20402370 LZSQYNOSIDGMFQ-KRWDZBQOSA-N 342.826 3.892 0 50 EHAA CC(=O)N1CCCC[C@@H]1C1=CCCN(CCSc2ccccc2)C1 65397696 QTRYGUGNMDETSI-HXUWFJFHSA-N 344.524 3.812 0 50 EHAA O=C(CC1CCOCC1)Nc1c(-c2ccccc2)nc2ccccn12 117124423 QMEMSESHUSVODY-UHFFFAOYSA-N 335.407 3.757 0 50 EHAA CC[C@@H](c1cccnc1)N(C)C(=O)CCc1nc2ccc(F)cc2[nH]1 67805474 JICNZELUOKIACM-KRWDZBQOSA-N 340.402 3.639 0 50 EHAA CC[C@H](C(=O)Nc1ccccc1)n1nc(-c2ccc(C)cc2)ccc1=O 20095636 MKDVNPFGAFTRHB-LJQANCHMSA-N 347.418 3.809 0 50 EHAA Cc1cc(C)c2c(CC(=O)N3CCC[C@H](c4ccn[nH]4)C3)coc2c1 67983473 XVNCLUXCEPEKEP-HNNXBMFYSA-N 337.423 3.721 0 50 EHAA Cc1nccn1-c1ccc(N2CCC(N[C@H](C)C(C)C)CC2)cc1 63845628 XWJJRDWXAMUSNG-MRXNPFEDSA-N 326.488 3.784 0 50 EHAA O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21 3860453 GNBHRKFJIUUOQI-UHFFFAOYSA-N 332.311 3.666 0 50 EHAA biogenic,fda Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC[C@@H](C(N)=O)C1 71707832 JOTVVFZIACAMQS-GOSISDBHSA-N 349.434 3.501 0 50 EHAA CCc1ccc(-c2noc([C@H](C)NC(=O)C3[C@@H]4CCC[C@@H]34)n2)cc1 230156606 JLNOSMGHCCRSCP-NILFDRSVSA-N 325.412 3.522 0 50 EHAA C[C@H](NCC1(c2ccc(Br)s2)CCC1)[C@H]1CCOC1 375894265 CXJMTKALWWDQOG-RYUDHWBXSA-N 344.318 3.947 0 50 EHAA CC[C@@H](CNC(=O)N1CCC[C@](C)(OC)CC1)Oc1cccc(C)c1 331408255 FMRFNNIDKDYENI-PXNSSMCTSA-N 348.487 3.753 0 50 EHAA CCCc1occc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 376207146 NIEWNFQBOSGIKQ-CEXWTWQISA-N 339.435 3.877 0 50 EHAA CN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCc2ccccc2)CC1 73652955 IGHROSQZBYLAIY-UHFFFAOYSA-N 348.443 3.655 0 50 EHAA CCCc1ncc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)s1 173440642 QJEWAOAJYHXUIQ-UHFFFAOYSA-N 347.459 3.951 0 50 EHAA O=C(CCC(F)(F)F)N1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 82157183 KNHDCMNBIIQBJW-GFCCVEGCSA-N 339.361 3.687 0 50 EHAA COCC[C@@H]1CCCCN1C(=O)c1ccc(N2CCCCC2)cc1 220078555 FLODLBGDDFAEJY-IBGZPJMESA-N 330.472 3.708 0 50 EHAA O=C(Nc1ccc(-n2nccn2)cc1)c1c(Cl)cccc1Cl 176021498 SMYJGUQQVQWREM-UHFFFAOYSA-N 333.178 3.826 0 50 EHAA Cc1nccn1CCNC(=O)N1CCCCC[C@@H]1c1cccc(F)c1 426392723 GBOIWFIWZMDSLJ-GOSISDBHSA-N 344.434 3.658 0 50 EHAA Cc1cc([C@@H]2CCCCN2C(=O)c2cc(-c3ccc(C)o3)n[nH]2)no1 91952096 KOBSBDICKKJCOK-INIZCTEOSA-N 340.383 3.642 0 50 EHAA Cc1cc(NC(=O)NCc2cccnc2)nn1-c1ccccc1Cl 180151858 GUUBGNRWBNAUBJ-UHFFFAOYSA-N 341.802 3.551 0 50 EHAA C[C@@H](NC(=O)c1cc(-c2ccccc2F)n[nH]1)c1nc2ccccc2[nH]1 97717195 DAOAIIFBFRMUQE-LLVKDONJSA-N 349.369 3.583 0 50 EHAA CO[C@@H](C)CNC(=O)N(Cc1ccccc1)Cc1cccc(C)c1 534593128 OOQHDVGNSWDLRD-KRWDZBQOSA-N 326.440 3.742 0 50 EHAA CO[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(C(C)C)nn3)cc2)C1 534635511 PSHCVFIHJFJMSJ-QGZVFWFLSA-N 339.439 3.518 0 50 EHAA O=C(CCC(F)(F)F)Nc1ccc(OC[C@H]2CCCCO2)cc1 828057228 XYJVBLJLLDMYTK-CQSZACIVSA-N 331.334 3.916 0 50 EHAA Cc1nc2ccc(C(=O)Nc3ccc4c(c3)C[C@@H](C)O4)cc2nc1C 822512875 SJGIZSKJUDHEEU-LLVKDONJSA-N 333.391 3.822 0 50 EHAA C[C@@H]1C[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)CCO1 272131486 VPSUTXWLMMEVFZ-NEPJUHHUSA-N 346.814 3.653 0 50 EHAA Cc1ccc(C[C@H]2CCCN2C(=O)c2ccnc3ccncc23)cc1 185651416 BLDLZXQALVFRKR-QGZVFWFLSA-N 331.419 3.786 0 50 EHAA C[C@H](N[C@@H](C)c1nnnn1C)c1ccc(Oc2ccccc2)c(F)c1 189784295 OXRLJFKKIQXDFX-STQMWFEESA-N 341.390 3.553 0 50 EHAA COc1cccc2c1CC[C@@H](NC1CCN(c3ccccc3)CC1)C2 192439929 BRTCVRYBCSHQGX-LJQANCHMSA-N 336.479 3.811 0 50 EHAA CN(C)C(=O)c1ccc(N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)nc1 1529190700 MPXVPCQIIKOXHG-YJBOKZPZSA-N 341.430 3.746 0 50 EHAA CCSC1=C(SCC)C(=O)N(c2ccccc2Cl)C1=O 392537 IUWYOIHJNUVENN-UHFFFAOYSA-N 327.858 3.931 0 50 EHAA COc1ccc(N[C@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)cc1 12306450 FJSYZJOSMYJKIO-FQEVSTJZSA-N 338.451 3.974 0 50 EHAA Cc1ccc(NC(=O)Cc2cccc3c([S@](=O)O)cccc23)cc1 12461631 KSHCLIFFNQVIBC-UHFFFAOYSA-N 339.416 3.910 0 50 EHAA Cc1ccc(CNC(=O)c2coc(COc3ccccc3F)n2)s1 12759298 AYNNAYBQGWQHDD-UHFFFAOYSA-N 346.383 3.693 0 50 EHAA O=C(Nc1nnc(C2CCCCC2)s1)c1ccc2c(c1)OCO2 13570569 CQSQPEUDGPGGKT-UHFFFAOYSA-N 331.397 3.567 0 50 EHAA CCOC(=O)[C@@H](C(=O)NCc1ccc(Cl)cc1)C1CCCCC1 18195225 XZKRVLXOVXSVJL-MRXNPFEDSA-N 337.847 3.716 0 50 EHAA Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccccc1Cl 4163554 VAGKJHQQDVVORS-UHFFFAOYSA-N 326.783 3.629 0 50 EHAA Cc1ccc(NC(=O)CCC(=O)O[C@@H](C)C(=O)c2ccccc2)cc1 2814168 MMGHEGWZIQAVJL-HNNXBMFYSA-N 339.391 3.528 0 50 EHAA O=C(C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1)NC1CCC1 1857719472 MDCITHKFMDQGLW-LBPRGKRZSA-N 347.846 3.756 0 50 EHAA CC(C)(C)c1noc(CNc2cc(N3CCCC3=O)ccc2Cl)n1 111189643 RSFZIPQOSKUSQW-UHFFFAOYSA-N 348.834 3.759 0 50 EHAA CCO[C@H]1C[C@@H](N(C)C(=O)c2c[nH]c3cccnc23)C12CCCCC2 329886142 VRRCKBMBTZVZSB-SJORKVTESA-N 341.455 3.763 0 50 EHAA COCC1(c2nc(-c3ccc(Oc4ccccc4)nc3)no2)CCC1 252510394 ZJGBEHVQZDLVBC-UHFFFAOYSA-N 337.379 3.992 0 50 EHAA CC(C)c1nn(C)cc1-c1ccc(C(=O)O)cc1OC(F)(F)F 901001237 RRDPEISOELFHKW-UHFFFAOYSA-N 328.290 3.807 0 50 EHAA CCCc1cc(C(=O)NCc2oc3ccc(F)cc3c2C)cc(O)n1 930693584 SXMFYTQDZZBQNS-UHFFFAOYSA-N 342.370 3.863 0 50 EHAA Fc1cc(F)cc(C2(c3nc(CC4CCNCC4)no3)CCCC2)c1 863655094 ZCGSWOOGWPDUCN-UHFFFAOYSA-N 347.409 3.750 0 50 EHAA C[C@]1(CC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CCCO1 2325779430 CIRGFIBVWOMKNS-CRAIPNDOSA-N 347.846 3.839 0 50 EHAA CCC(CC)CC(=O)N[C@H](C)CNC(=O)C1(C)CCC(F)(F)CC1 2325794510 DZFYSLDZTKNKLD-CYBMUJFWSA-N 346.462 3.649 0 50 EHAA CN1CCCc2ccc(NC(=O)c3ccnc4ccsc34)cc2C1 2325855807 PQIVFPKGQICDEJ-UHFFFAOYSA-N 337.448 3.927 0 50 EHAA Cc1ccc2nc(CNCc3cccc(-n4nc(C)cc4C)c3)cn2c1 2325856227 GKDDELOOIMEJIK-UHFFFAOYSA-N 345.450 3.735 0 50 EHAA O=C(N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1cccnc1 78509 FFZWMERUCJZCMT-CYBMUJFWSA-N 345.613 3.587 0 50 EHAA CCOC(=O)c1ccc(NC(=O)CCOc2ccc(C)cc2)cc1 318918 QUMOIFSYUZWYHL-UHFFFAOYSA-N 327.380 3.579 0 50 EHAA CCN(CC)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 491531 KJPAILAHUMAHCP-UHFFFAOYSA-N 327.453 3.660 0 50 EHAA Cc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(N)=O)sc3n2)o1 534548 ORAOURDJEJIRFN-UHFFFAOYSA-N 341.314 3.565 0 50 EHAA O=C1C[C@@H](c2ccco2)Cc2nc(N3CCc4ccccc43)ncc21 542796 CUHYKNMTRDUGKB-AWEZNQCLSA-N 331.375 3.677 0 50 EHAA Cc1cc(=O)oc2cc(OCc3nnc(-c4ccccc4)o3)ccc12 4868661 WBLFZMOTIGAQCV-UHFFFAOYSA-N 334.331 3.730 0 50 EHAA O=C(Cn1c(=O)oc2ccccc21)Nc1ccccc1-c1ccccc1 6669580 VMIUMCNANZGMEY-UHFFFAOYSA-N 344.370 3.900 0 50 EHAA O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccco1 6701546 DNLJEYLFEPVZLS-UHFFFAOYSA-N 338.338 3.601 0 50 EHAA COC(=O)Cc1ccc(NC(=S)NCc2ccccc2Cl)cc1 8682415 GLSDNNXBOJAKNR-UHFFFAOYSA-N 348.855 3.542 0 50 EHAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 11821481 ALMFUMPVHQYUGO-MRXNPFEDSA-N 326.465 3.898 0 50 EHAA CCOc1cccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 15860255 CPWRJJOCLKRRCB-GOSISDBHSA-N 342.439 3.554 0 50 EHAA O=C(Cc1ccccc1)N1CCN(Cc2ccc3ccccc3c2)CC1 19773996 JJIZPBDKMMQSMH-UHFFFAOYSA-N 344.458 3.727 0 50 EHAA COc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1O[C@H](C)C(=O)O 55386850 MHQYERXYKVLYJB-GFCCVEGCSA-N 340.379 3.707 0 50 EHAA Cc1cc(NC(=O)CN[C@@H](c2ccccn2)C(C)C)ccc1Cl 65372734 QOKMHTGAGGPPCA-GOSISDBHSA-N 331.847 3.969 0 50 EHAA O=C1C[C@@H](c2ccncc2)c2c(O)nn(C3CCCCCCC3)c2N1 71279521 QZRTUPQHJCEBEO-HNNXBMFYSA-N 340.427 3.743 0 50 EHAA CC(C)c1nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2[nH]1 71375836 PQKDWIGUXGMHPU-UHFFFAOYSA-N 333.388 3.626 0 50 EHAA Cc1cc(C(=O)NCCc2nc3ccccc3[nH]2)c2cccc(C)c2n1 72431768 FQZXEKKKNIBSAK-UHFFFAOYSA-N 344.418 3.700 0 50 EHAA CC(C)c1cc(C(=O)N2CCC3(CCc4ccccc43)CC2)n(C)n1 91586700 UGLIOFVPCQOPPU-UHFFFAOYSA-N 337.467 3.664 0 50 EHAA Cc1nc(Cn2cnc(-c3ccccc3)c2-c2ccc(C)o2)cc(=O)[nH]1 91650781 OKRXMGZMZNOYDL-UHFFFAOYSA-N 346.390 3.559 0 50 EHAA CCCn1ncc(C(=O)N2CCC[C@H]2c2ccccc2OC)c1C 91846760 CHKDVKCZNAASEG-KRWDZBQOSA-N 327.428 3.587 0 50 EHAA Cc1nc(C)c(CN2CCC[C@H](c3ccc(C(=O)O)cc3)C2)s1 95380773 HTOMXWJXNJMALB-INIZCTEOSA-N 330.453 3.838 0 50 EHAA COCc1cc(N2CCC[C@@H](c3nc4ccccc4s3)C2)ncn1 95382331 ZORJXUAAWOVZSJ-CYBMUJFWSA-N 340.452 3.617 0 50 EHAA CCc1cc(Br)ccc1N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101895841 RWPJEXGSIKSLJT-UOVKNHIHSA-N 348.240 3.547 0 50 EHAA 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Cc1csc(CNC(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)n1 122113904 XJEQBJBMSVZHQI-HUUCEWRRSA-N 329.469 3.848 0 50 EHAA O=C(CCc1ncccn1)N1CCCC[C@@H]1c1cccc(Cl)c1 360453260 CRMKFULKMLTQOO-MRXNPFEDSA-N 329.831 3.816 0 50 EHAA CC(=O)Nc1ccc(-c2nccn2CCSc2ccccn2)cc1 77486771 HLYUNQBOVALWPY-UHFFFAOYSA-N 338.436 3.696 0 50 EHAA C[C@@H](CCCC(C)(C)O)NC(=O)c1ccc2nc(C3CC3)oc2c1 12762270 UDMGEVHQZVMEMF-LBPRGKRZSA-N 330.428 3.765 0 50 EHAA CCn1nc(C)cc1C(=O)N(C)Cc1csc(-c2ccccc2)n1 72436366 OSBQRPJGERJGQM-UHFFFAOYSA-N 340.452 3.607 0 50 EHAA CCOc1ccccc1[C@@H](CC(C)C)NC(=O)c1cccc(O)n1 282384633 CZEFLOXBGRTBCK-MRXNPFEDSA-N 328.412 3.703 0 50 EHAA CCc1n[nH]c(=O)c(-c2nc(-c3ccncc3Cl)cs2)c1CC 284159450 ZWGDQZFAMUDCPT-UHFFFAOYSA-N 346.843 3.734 0 50 EHAA O=c1c2c3c(sc2[nH]c(=S)n1Cc1cccnc1)CCCCC3 17071732 DEUGOGMUMIMKCK-UHFFFAOYSA-N 343.477 3.833 0 50 EHAA CN(Cc1ccco1)C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 175421812 FOACPABEAFGVTI-AWEZNQCLSA-N 347.846 3.743 0 50 EHAA CCCC[C@H]1C=CCN1C(=O)c1ccc(-c2cnn3cccnc23)cc1 426429027 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EHAA CCOc1ccc(N2C(=O)/C(=C/c3cccs3)N(C)C2=S)cc1 194109 ZRRHARRMLVFPAU-PTNGSMBKSA-N 344.461 3.751 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Nc3ccc(F)c(Cl)c3)C[C@@H]21 1704337839 DYZWGDKHHBYDKU-BTJLNZGRSA-N 340.826 3.884 0 50 EHAA O=C(c1ccccc1-c1ccccc1F)N1CCC[C@@H](C2(O)CC2)C1 1772812075 HVRAPFOQLPJZGH-OAHLLOKOSA-N 339.410 3.870 0 50 EHAA O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H](C2(O)CC2)C1 1772806027 XFTYLKWABGUENK-HXUWFJFHSA-N 349.474 3.972 0 50 EHAA O=C(N[C@@H](C(=O)O)c1ccccc1)C(c1ccccc1)c1ccccc1 11767308 TUEBEFJSLZPNJI-HXUWFJFHSA-N 345.398 3.761 0 50 EHAA Cc1cc(C(=O)N2CC[C@H](C3CCN(CC(C)C)CC3)C2)c(C)o1 11817398 QYNHIRROGILWOX-SFHVURJKSA-N 332.488 3.727 0 50 EHAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)c1 11996712 FRLDAONUYCPCPF-INIZCTEOSA-N 341.407 3.802 0 50 EHAA O=C(c1ccc2ccccc2c1)[C@@H]1CCCN(C(=O)c2cccnc2)C1 14951160 HOSYNDCQWCCJFZ-HXUWFJFHSA-N 344.414 3.970 0 50 EHAA O=C(c1ccccn1)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 15076170 YKDPCVLMAQJLCW-UHFFFAOYSA-N 339.782 3.589 0 50 EHAA CCCNCc1cc(Br)ccc1OCc1cccnc1 15356901 KLKZIWOCGMBFML-UHFFFAOYSA-N 335.245 3.923 0 50 EHAA O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1cccs1 15837691 XAIQEKZZRKYEQZ-ZDUSSCGKSA-N 330.409 3.888 0 50 EHAA CCc1n[nH]c(SCC(=O)N(c2ccccc2)c2ccccc2)n1 18218136 CVKILIFUURERGN-UHFFFAOYSA-N 338.436 3.824 0 50 EHAA O=C1CC[C@@H]2CN(Cc3ccccc3)CC[C@@H]2N1Cc1ccccc1 19299796 UOHCBEIMMPATJL-RTWAWAEBSA-N 334.463 3.700 0 50 EHAA CCCC(=O)c1cc(F)c(N2CCN(C(=O)CCC)CC2)cc1C 1453784 XDRBNIJCWDIIFN-UHFFFAOYSA-N 334.435 3.566 0 50 EHAA Cc1cc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)ccc1Cl 4842033 VCDINSQRDHAFEA-LLVKDONJSA-N 333.771 3.783 0 50 EHAA Cc1ccc(N2C(=O)CCC2=O)cc1NC(=O)c1ccccc1Cl 4855822 ZJAVRQFUJCLRDC-UHFFFAOYSA-N 342.782 3.554 0 50 EHAA O=C(O)[C@@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)cs2)C1 1857530237 IYFAVRWXJBOWOH-GFCCVEGCSA-N 336.844 3.760 0 50 EHAA CN1Cc2cc(-c3c(C(F)(F)F)nc4ccccn34)ccc2C1=O 1875245330 VNTVXMXAQHJROA-UHFFFAOYSA-N 331.297 3.606 0 50 EHAA O=C(NC1CCCCC1)c1ccc(NC(=O)c2ccccc2O)cc1 340339 YEJLERYGRCLCOM-UHFFFAOYSA-N 338.407 3.707 0 50 EHAA Cn1c(-c2ccc(NC(=O)[C@H]3CCCCO3)cc2)nc2ccccc21 126041654 AWXQWZKNKFZTBH-GOSISDBHSA-N 335.407 3.748 0 50 EHAA CO[C@H](C)c1noc(CN2CCc3c(Cl)cc(Cl)cc3C2)n1 128947406 WWRCJTXUZFGKPR-SECBINFHSA-N 342.226 3.642 0 50 EHAA Cc1nnc(O)c(C(=O)N[C@H]2CCCc3ccc(C(C)C)cc32)c1C 342835192 VWIWFRFLXFMIRU-KRWDZBQOSA-N 339.439 3.730 0 50 EHAA CO[C@](C)(C(=O)N1CCC(c2nccs2)CC1)c1ccccc1F 253433495 XOYJTOQMRREODS-SFHVURJKSA-N 348.443 3.550 0 50 EHAA Cc1coc(-c2cc(NS(=O)(=O)c3ccccc3)ccc2C)n1 150800373 RBKHJXLHOUEQEC-UHFFFAOYSA-N 328.393 3.759 0 50 EHAA Cc1cccc(C(=O)Nc2cnn(-c3cccc(Cl)c3)c2C)n1 152016577 YCGNTEKJPZSDEO-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA O=C(Nc1ccnn1Cc1ccc(Cl)s1)c1cc(C2CC2)no1 888255886 ISNNNHHNZAMUES-UHFFFAOYSA-N 348.815 3.764 0 50 EHAA Cc1nc([C@@H]2CC[C@H](CN[C@@H](C)c3oc4ccccc4c3C)O2)n[nH]1 1775957607 DHBHECKGIVSTRM-QEORTHHSSA-N 340.427 3.739 0 50 EHAA C[C@@H](NCc1ccc(C2CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 253415989 YLMYBQLPGCQTPI-CQSZACIVSA-N 330.472 3.909 0 50 EHAA O=C(O[C@@H]1CCC[C@H]1Oc1cccc(F)c1)c1cc2cccn2cn1 2325824319 YBTLGCMIDPYHAL-QZTJIDSGSA-N 340.354 3.630 0 50 EHAA C[C@H]1Oc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2[C@H]1C 2325841553 ZMLFTJOMKGXTIA-QWHCGFSZSA-N 330.472 3.610 0 50 EHAA Clc1c(CN2CC(Cc3ccoc3)C2)cnn1-c1ccccc1 2325860157 ZXKCCMOYDWJHAG-UHFFFAOYSA-N 327.815 3.793 0 50 EHAA C[C@@H]1CC(=O)NN1Cc1cccc(-c2ccc(Br)cc2)c1 2325874925 BJTRCHSNCTWNPZ-GFCCVEGCSA-N 345.240 3.742 0 50 EHAA CC(=O)Nc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 245314 BSNBGIRURHRFDG-UHFFFAOYSA-N 349.173 3.752 0 50 EHAA COc1cc(CO)c(Br)cc1OCc1cccc(F)c1 469684 LCTPDOKKESMTJK-UHFFFAOYSA-N 341.176 3.668 0 50 EHAA CCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c1C 7471446 GCMASTIXUOHNMM-UHFFFAOYSA-N 340.452 3.885 0 50 EHAA CCc1nc(C)c(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)[nH]1 55413284 SZEQMECIFZBLEZ-KRWDZBQOSA-N 331.435 3.601 0 50 EHAA Cn1cc(C(=O)OCc2ccc(Cl)nc2Cl)c(C(C)(C)C)n1 225691405 AQZTUHWEXIFRLS-UHFFFAOYSA-N 342.226 3.776 0 50 EHAA CC(C)[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ncc[nH]1 225837905 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3.506 0 50 EHAA COCc1c(Cl)cccc1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 230157066 NNYHVYKCXJLDOA-PEYYIBSZSA-N 338.835 3.566 0 50 EHAA CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@@H]2CCCC[C@H]21 230171316 ZGUZRCVNFBUXKZ-DOTOQJQBSA-N 328.522 3.540 0 50 EHAA COc1cc(OCc2ccccc2)ccc1CN1CCC[C@@H](O)CC1 216547449 YPFHMCSJJWSNGB-LJQANCHMSA-N 341.451 3.621 0 50 EHAA C(=C/[C@H]1CCCN1Cc1noc(C2CCOCC2)n1)\c1ccccc1 253425714 LPMUQOBVCPOJPJ-GFOMBABLSA-N 339.439 3.641 0 50 EHAA COc1cccc(Cl)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 356911367 LGZIXEIXRAXYJX-NWANDNLSSA-N 337.847 3.504 0 50 EHAA CN(Cc1cccc2cnccc12)C(=O)Cc1cc(F)cc(F)c1 77299578 CNGNLYWBAULTAL-UHFFFAOYSA-N 326.346 3.714 0 50 EHAA CC[C@H]1Cc2ccccc2CN1C(=O)Cc1cc2ccccc2c(O)n1 450671731 WRKINYGYEDJXCY-IBGZPJMESA-N 346.430 3.846 0 50 EHAA CCc1noc(CC)c1CC(=O)N1CCC[C@H]1c1cccc(F)c1 175989259 IYBZUIYTYLVKEA-KRWDZBQOSA-N 330.403 3.845 0 50 EHAA CCc1cc(CNC(=O)N(Cc2ccc(SC)cc2)C2CC2)on1 426646959 CCPKMWFKEYGLGR-UHFFFAOYSA-N 345.468 3.833 0 50 EHAA CC[C@H]1CN(C(=O)c2cccc(-c3ccc(F)c(Cl)c3)c2)CCN1 426389636 LMIRVWXKTMQBJL-INIZCTEOSA-N 346.833 3.970 0 50 EHAA OCCCN(Cc1noc2c1CCCC2)[C@H]1CCCc2ccccc21 178395947 QKUFSWIPRGKQBQ-FQEVSTJZSA-N 340.467 3.815 0 50 EHAA CC[C@@H](CNC(=O)c1ccc(-c2cc(F)ccc2C(C)=O)cc1)OC 426512317 SFOVTJQUYLHGGR-KRWDZBQOSA-N 343.398 3.850 0 50 EHAA Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@@H]3CCCC(C)(C)C3)cc2)n1 179359723 MIXNNBXHRCDEAI-OAHLLOKOSA-N 339.439 3.900 0 50 EHAA Cc1cccc([C@H](C)NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)n1 91365063 WUBUEKSFGQRYRG-LBPRGKRZSA-N 326.425 3.641 0 50 EHAA O[C@H]1C[C@@H]([C@@H](NC2CCN(C3CCCC3)CC2)c2cccs2)C1 244641288 GMVZTGQPBDGPHH-DKSSEZFCSA-N 334.529 3.557 0 50 EHAA Cc1cc([C@@H]2CCCN2CC(=O)Nc2nc(C(C)(C)C)cs2)on1 252482195 DAIJJTDVQQMBIL-LBPRGKRZSA-N 348.472 3.513 0 50 EHAA O=C(CCn1cc(Cl)cn1)N(Cc1ccncc1)C1CCCCC1 299777679 NIWCLTDQJYGDKE-UHFFFAOYSA-N 346.862 3.683 0 50 EHAA Cc1nc(Cl)ccc1NC(=O)N(CC1CCC1)C[C@H]1CCCO1 299788588 VGJQTHUPXKLMBZ-CQSZACIVSA-N 337.851 3.856 0 50 EHAA CCOc1ccc(CN(Cc2ccccn2)[C@@H]2CCCNCC2)cc1 275840927 XOUHCEVDMWKIJE-HXUWFJFHSA-N 339.483 3.625 0 50 EHAA Cc1cc(CNC(=O)N2CC3(CCCC3)c3cccc(F)c32)on1 277533379 UUOQOEJAFHNPJY-UHFFFAOYSA-N 329.375 3.664 0 50 EHAA COc1cc(OC)c(NC(=O)c2oc(CC(C)C)nc2C)cc1F 170608843 DZNJUMFTTILMJB-UHFFFAOYSA-N 336.363 3.590 0 50 EHAA O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccco1 528311 HHEGFOOJSFYUTO-UHFFFAOYSA-N 349.843 3.660 0 50 EHAA O=C(c1ccc(Cl)cn1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529139216 LUIXVZUWAXRVOS-ZWKOTPCHSA-N 342.826 3.727 0 50 EHAA CCc1ccccc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 860058 UUZOWEOXCAGPPV-ZHACJKMWSA-N 341.407 3.927 0 50 EHAA CC[C@H](C)C(=O)NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 11790260 SGACGIQMWSTNTM-BLLLJJGKSA-N 344.842 3.868 0 50 EHAA CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc(NC(C)=O)c1 12404212 IKIMFPGVNQFIMA-GOSISDBHSA-N 326.396 3.750 0 50 EHAA CSc1ncccc1C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 12757240 QQOAOBXORLKOCN-UHFFFAOYSA-N 325.437 3.832 0 50 EHAA C[C@@H](CCn1cccn1)Nc1nncc(-c2ccc3ccccc3c2)n1 15062256 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Cc1ccc(CN2CC(Oc3ccccc3)C2)c(-c2ccnn2C)c1 1462689917 ZXEJNMAQNJXXCY-UHFFFAOYSA-N 333.435 3.659 0 50 EHAA O=C(NC[C@@H](O)c1cccc2ccccc12)Nc1cc(Cl)ccn1 1466513366 SXBQFNZQZPUHLF-MRXNPFEDSA-N 341.798 3.743 0 50 EHAA CCc1cc2c(s1)-n1cnnc1CN=C2c1ccccc1Cl 142191928 NQSSWDKQLVBUQN-UHFFFAOYSA-N 328.828 3.896 0 50 EHAA CCCN(CCC)C(=O)c1ccccc1NC(=O)c1cccnc1 130133 WMFJLBHFMSOQRY-UHFFFAOYSA-N 325.412 3.596 0 50 EHAA O=C(O)CCSc1nc2ccccc2n1CCOc1ccccc1 297610 UPRAXQDJCBOLJY-UHFFFAOYSA-N 342.420 3.682 0 50 EHAA Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 315165 VQVYMUHIIVSNQP-CYBMUJFWSA-N 328.799 3.640 0 50 EHAA O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccc(-c2ccccc2)cc1 342004 ZWKHFMKBLWRYCW-JOCHJYFZSA-N 343.382 3.766 0 50 EHAA COc1ccc(-n2ncc3c(Nc4ccc(C)cc4)ncnc32)cc1 425623 ZJUNDKQJCXETLL-UHFFFAOYSA-N 331.379 3.876 0 50 EHAA CNC(=O)c1cc(NC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1F 50086999 RUBVBQXUJCEPMK-BFUOFWGJSA-N 347.434 3.618 0 50 EHAA COc1ccccc1CN(Cc1cccnc1)C(=O)c1cncc(C)c1 55281299 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COC(=O)[C@H]1CC[C@H](C(=O)N(C)[C@@H](C)c2ccccc2Cl)CC1 253432788 OCFICIMGEULYBD-IHRRRGAJSA-N 337.847 3.839 0 50 EHAA CC(C)c1ccc(-c2nc(CN3CCC[C@H]3C(=O)O)cs2)cc1 236852279 ZQWAXBCQBAYIPG-INIZCTEOSA-N 330.453 3.983 0 50 EHAA Cc1ccc(C(=O)N[C@@H](C)Cc2nc(-c3ccccc3)no2)c(C)c1 371205730 BANQFIDHUPOUQP-HNNXBMFYSA-N 335.407 3.714 0 50 EHAA Fc1ccc(-c2cc(NCCCc3ccncc3)n3nccc3n2)cc1 72427116 VBOAKVWTTZTKTO-UHFFFAOYSA-N 347.397 3.975 0 50 EHAA CC[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)c2ccccc2O1 172688670 YNEQTUUPGMLOQA-CQSZACIVSA-N 335.363 3.554 0 50 EHAA Cc1ccc(OC2(C(=O)O)CCN(CCc3ccccc3)CC2)cc1 72425516 DMGFMEWAKODWOC-UHFFFAOYSA-N 339.435 3.536 0 50 EHAA COc1cccnc1NC(=O)N1CCCCC[C@@H]1c1ccncc1 241231234 KTFKHZYKKYERGB-OAHLLOKOSA-N 326.400 3.634 0 50 EHAA CSc1ccccc1C(=O)N1CCCN(c2ccc(F)cc2)CC1 82136910 IVTGGEFDHOFQRN-UHFFFAOYSA-N 344.455 3.900 0 50 EHAA CN(C)CC(C)(C)CNC(=O)c1cccc(-c2ncccc2Cl)c1 426503246 IERSXJNOGNBLBH-UHFFFAOYSA-N 345.874 3.720 0 50 EHAA CC(C)c1ccc(C(=O)NCCCSC2CCCCC2)c(=O)[nH]1 97346820 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CNC(=O)CCc1ccccc1NC(=O)c1csc2c1CCCC2 823819642 IFUYMUZMEFCMCM-UHFFFAOYSA-N 342.464 3.558 0 50 EHAA C[C@@]1(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)CC=CCC1 1358305844 HMLGMACNZYZWLB-GOSISDBHSA-N 346.381 3.773 0 50 EHAA CCCCc1ncc(CN(C)Cc2nc3ccc(Cl)cc3[nH]2)[nH]1 952979689 IEUYIVVZDRNHBJ-UHFFFAOYSA-N 331.851 3.914 0 50 EHAA CC(C)Cn1cncc1CNCc1cnc(-c2ccccc2)s1 952987843 JXRODTRMRGGUTP-UHFFFAOYSA-N 326.469 3.952 0 50 EHAA CC[C@H](C)C(=O)Nc1ccccc1NC(=O)c1cc(CC(C)C)[nH]n1 952964312 CNSRSWSUFPASIN-ZDUSSCGKSA-N 342.443 3.845 0 50 EHAA Cc1cc(Oc2ccc3ccc(=O)oc3c2)nc(-c2cccnc2)n1 301110385 KOAHAYQAEHOZKC-UHFFFAOYSA-N 331.331 3.746 0 50 EHAA C[C@@H]1CC(CNC(=O)N[C@@H]2CCc3c(Cl)cccc32)C[C@@H](C)O1 408126675 AFAKWTHWTIASEW-PSTGCABASA-N 336.863 3.830 0 50 EHAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N1CCC[C@@H]1CC1CCCCC1 170638192 IQSPPQGJPXZFMR-XDNAFOTISA-N 334.504 3.944 0 50 EHAA CCCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C 170615089 YRJHIDZWBVGDLA-OAHLLOKOSA-N 345.464 3.924 0 50 EHAA Cc1nc(CO[C@H]2CCN(c3nc4cc(F)ccc4o3)C2)cs1 170601914 MVVVONORYYVSHW-ZDUSSCGKSA-N 333.388 3.527 0 50 EHAA CCc1c(C(=O)N[C@@H]2CCOc3c(C)cccc32)cnn1CC(C)C 189594240 WJLKREOZZCDZJF-QGZVFWFLSA-N 341.455 3.664 0 50 EHAA COc1ncccc1CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 794686199 USTAOVDCHJWMMU-UXHICEINSA-N 334.419 3.655 0 50 EHAA C[C@H]1C[C@@H](NC(=O)c2cncc(Br)c2)CC(C)(C)C1 860170 OAIGEWRXTPQJMC-GXFFZTMASA-N 325.250 3.789 0 50 EHAA Cc1cc(C)c(CNCc2cc(CC(C)C)no2)c(-n2cccn2)c1 1506412351 CNXZVBPRKZVTJM-UHFFFAOYSA-N 338.455 3.965 0 50 EHAA CN(Cc1ccccc1CN1CCCC1)[C@@H]1CCN(c2ccccc2)C1 1506410397 KVUAWTVNIZYCTR-HSZRJFAPSA-N 349.522 3.993 0 50 EHAA Cc1cc(N2C[C@H]3CC[C@@H](C2)NC3)c2ccc(C(F)(F)F)cc2n1 1704309234 OMJGCNBMIRHWAJ-JSGCOSHPSA-N 335.373 3.750 0 50 EHAA CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)Cc2ccccc2)c1 455883 YPNFXXLZXINWBA-CYBMUJFWSA-N 342.464 3.961 0 50 EHAA Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)CC(C)(C)C)C2 14986197 UOWCOCREWFMBGU-MRXNPFEDSA-N 338.451 3.913 0 50 EHAA COc1cccc(NC(=O)Nc2nnc(-c3cccs3)s2)c1 17160127 AHSHJTMRONPPNQ-UHFFFAOYSA-N 332.410 3.919 0 50 EHAA CCn1nc(C)c(-c2nc3c(C)nn(-c4ccc(C)cc4)c3[nH]2)c1C 19791260 HXVDIMHYCVDURK-UHFFFAOYSA-N 334.427 3.866 0 50 EHAA CC(C)(C)[C@H](O)[C@H](Cc1ccc(Cl)cc1Cl)n1cncn1 967741 URDNHJIVMYZFRT-UONOGXRCSA-N 328.243 3.776 0 50 EHAA biogenic,in-vitro COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 4750153 FJBLBAGBALBCTE-UHFFFAOYSA-N 338.407 3.574 0 50 EHAA COc1cc(OC)c(CN2CCC[C@H](C)C2)cc1Br 4988863 IMHMTYCFFHOETP-NSHDSACASA-N 328.250 3.698 0 50 EHAA CC(C)[C@@H](C(=O)N(C)C)n1ccnc1-c1ccc2cccc(F)c2n1 1857681547 MWEZDUKNSOOFHE-KRWDZBQOSA-N 340.402 3.523 0 50 EHAA Fc1ccc(N2CC[C@@H](Cn3ccnc3-c3cnsc3)C2)cc1 1857685464 KFQOBRPPIPDWMB-CYBMUJFWSA-N 328.416 3.672 0 50 EHAA Cn1c(Cl)cnc1CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 813783571 WJELIKXLFPRRFR-MOPGFXCFSA-N 341.842 3.638 0 50 EHAA CC[C@@H](NC(=O)c1cccc2c1OCC2(C)C)c1c(C)noc1C 331595738 VBLVTKKNLXCWJC-OAHLLOKOSA-N 328.412 3.843 0 50 EHAA CN(C)C/C=C/C(=O)NCc1cccc(Oc2ccccc2Cl)c1 1875374283 ILERDEHGLFYDCH-IZZDOVSWSA-N 344.842 3.866 0 50 EHAA CC[C@@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1cccc(Br)c1 87342 WQODTAZBDZLKLW-RYUDHWBXSA-N 325.202 3.669 0 50 EHAA COc1ccc(CCCCCC(=O)NCCc2cncs2)cc1 2325758821 CFGGBBILVPQSEB-UHFFFAOYSA-N 332.469 3.614 0 50 EHAA CN(Cc1nc(-c2cccs2)no1)C[C@H]1CCOC2(CCC2)C1 2325801465 JYDLNFSUGOKAIU-ZDUSSCGKSA-N 333.457 3.579 0 50 EHAA Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(F)cc3)C2=O)cc1 121620 AJESXUMMSRBCDP-UHFFFAOYSA-N 330.746 3.570 0 50 EHAA CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(Cl)cc2)NC(=O)N1C 124249 XYBWWHJUBIJUOD-HNNXBMFYSA-N 336.819 3.509 0 50 EHAA COc1cc(-c2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC 316621 OFOQUMGNHRSPLZ-UHFFFAOYSA-N 326.352 3.738 0 50 EHAA CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 328756 SKYGFTYUPJIOPN-UHFFFAOYSA-N 326.421 3.633 0 50 EHAA O=C(Cn1cnc2ccccc2c1=O)c1ccc(Cl)cc1Cl 389322 YHHYTAPYWAPOPT-UHFFFAOYSA-N 333.174 3.586 0 50 EHAA Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)n1 464620 XVYQQBDLVUPQCJ-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA CCCn1c(CCCNC(=O)c2cccs2)nc2ccccc21 2460931 QDXWTAYCMFWVPS-UHFFFAOYSA-N 327.453 3.870 0 50 EHAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1ccc2ccccn12 2356169625 FIRXYBFKFVTSGX-GOSISDBHSA-N 336.439 3.529 0 50 EHAA COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1C 8856813 ALYMYWZENBMENR-UHFFFAOYSA-N 326.421 3.847 0 50 EHAA Cc1nc(C)c(CN2CCO[C@@H](CCCc3ccccc3)C2)nc1C 23337576 XKTQWXBIQLKUBB-FQEVSTJZSA-N 339.483 3.626 0 50 EHAA c1ccc(COc2cccc(CN3CC[C@H]4OCCC[C@H]4C3)c2)nc1 110701909 AGLVPLDYYMJADS-GHTZIAJQSA-N 338.451 3.662 0 50 EHAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)C1 252486996 RCKGLMJLSQQWLG-QEJZJMRPSA-N 335.831 3.547 0 50 EHAA Cc1ccccc1CNC(=O)[C@H]1CC(Cc2cccc(Cl)c2)=NO1 12035520 ARZQNTOMANCFGE-GOSISDBHSA-N 342.826 3.652 0 50 EHAA CCCc1ccc(CN2CCc3nc[nH]c3[C@@H]2c2cccc(O)c2)o1 67805044 HSXYRQILMOENEF-FQEVSTJZSA-N 337.423 3.809 0 50 EHAA Cc1cc(C)n(CCN(C)Cc2ccc(CN3CCCCC3)s2)n1 215462622 DTCDLAUFWBKEDD-UHFFFAOYSA-N 346.544 3.679 0 50 EHAA O=C(CCn1nc(C(F)(F)F)cc1C1CC1)NC1CCCCC1 2780591 IYSZDCYZTLFHAV-UHFFFAOYSA-N 329.366 3.618 0 50 EHAA Cc1cc(C)n(Cc2cccc(-c3nc(-c4ccc(O)cc4)no3)c2)n1 436770389 QVPLOUDSPSPCOC-UHFFFAOYSA-N 346.390 3.971 0 50 EHAA FC(F)(F)c1cccc([C@H](NCc2cncnc2)c2cccnc2)c1 122708888 BMPMMGONYFHMSF-KRWDZBQOSA-N 344.340 3.770 0 50 EHAA Cc1ncsc1CCN(C)C(=O)c1ccc2nc(C3CC3)oc2c1 12718833 GPDDZHSOKFKEJQ-UHFFFAOYSA-N 341.436 3.785 0 50 EHAA O=C(O)c1ccccc1CCC(=O)N1CCC[C@H]1c1cccc(F)c1 262212072 PXWWONHWGMBNNJ-SFHVURJKSA-N 341.382 3.820 0 50 EHAA O=C(O)C[C@@H](NC(=O)C[C@H]1CCCc2ccccc21)c1ccccc1 238129392 MDCJHWGHEMBBKT-IEBWSBKVSA-N 337.419 3.829 0 50 EHAA Cc1nc(C(=O)N(Cc2ccoc2)C2CCCCC2)ccc1C(=O)O 263338617 OHLXYTJCKNOZAZ-UHFFFAOYSA-N 342.395 3.656 0 50 EHAA CN(Cc1cc(-c2ccncc2)no1)C(=O)C[C@@H]1CCc2ccccc21 82099508 GSVPWXHBXYGUQH-KRWDZBQOSA-N 347.418 3.815 0 50 EHAA CC[C@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)C1CC(O)C1 220364349 JDBMIMARVQFGHL-RHYVWVDMSA-N 335.753 3.638 0 50 EHAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)cc1 95366319 VSOGPQQPXQOXBP-MRXNPFEDSA-N 343.448 3.785 0 50 EHAA CCC[C@]1(C(=O)O)CCCN(Cc2ccc(C(F)(F)F)nc2)C1 91876496 PDHJIEBBAHLPET-HNNXBMFYSA-N 330.350 3.567 0 50 EHAA Cc1cccc(-c2ncc(CN3CCc4[nH]nc(C5CC5)c4C3)cn2)c1 97785652 AYJGPJLERYFYDJ-UHFFFAOYSA-N 345.450 3.611 0 50 EHAA Cc1cc2cc(NC(=O)N3CCC[C@@H](c4ccncn4)C3)ccc2o1 96131884 KCRPEBRKBMVGAI-CQSZACIVSA-N 336.395 3.943 0 50 EHAA COCCn1cncc1CN1CCCCC[C@H]1c1cccc(F)c1 244788066 QIRQORNSSCSXAD-IBGZPJMESA-N 331.435 3.786 0 50 EHAA Cc1nc(C)c(C(=O)N2CCC3(CC2)OCCc2ccsc23)s1 352180115 IIHMABQOGNCITH-UHFFFAOYSA-N 348.493 3.526 0 50 EHAA Cc1ccc(OCc2occc2C(=O)NCC[C@@H]2CCCOC2)cc1 534672594 CNWCRWOFJYJBBN-INIZCTEOSA-N 343.423 3.714 0 50 EHAA CCN(C[C@@H]1CCCCO1)C(=O)c1cc2cccc(Cl)c2n1C 299773111 CVYNTXGTBNGPJB-AWEZNQCLSA-N 334.847 3.863 0 50 EHAA Cc1ccc([C@H](NCc2cccc(OCCO)c2)c2ccncc2)cc1 952868619 BRJKPVFXUHFLPU-QFIPXVFZSA-N 348.446 3.640 0 50 EHAA O=C(Nc1ccc(CNc2ncc(F)cn2)cc1)c1ccc(F)cc1 301793349 RZYPIIYOTPJRLC-UHFFFAOYSA-N 340.333 3.619 0 50 EHAA CC(C)(CNc1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1 170600330 JRXUDTGMNMCVMB-UHFFFAOYSA-N 344.480 3.517 0 50 EHAA CC(C)c1ccc(C(=O)N2CCC[C@H]2[C@H]2C[C@H](C)CC[C@@H]2O)c(O)c1 408410055 IPZFLRUVMSXMGX-OAOYMFHYSA-N 345.483 3.917 0 50 EHAA CCc1ccc([C@@H]2CCCCCN2C(=O)NC2CCC(O)CC2)o1 169992315 PJCOOBOPYHPQRW-DQPZFDDXSA-N 334.460 3.772 0 50 EHAA Cc1[nH]ccc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 187355117 IUTHAJYKYSCUBM-UHFFFAOYSA-N 332.816 3.671 0 50 EHAA CCOc1c(Cl)cccc1CC(=O)Nc1c(C)nn(CC)c1C 188252350 RMTWGGNWKVMCIL-UHFFFAOYSA-N 335.835 3.753 0 50 EHAA C[C@H](NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc([S@](C)=O)cc1 191853497 BVVSRSJNAHRTNO-YYANLIAVSA-N 343.492 3.852 0 50 EHAA O=C(Nc1cnn[nH]1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 789929264 VIYILRBSCPYQIA-UHFFFAOYSA-N 348.284 3.868 0 50 EHAA COc1cc(CNCc2ccc(Br)cc2)cc(OC)c1 172186 GQZUPHMOGSYEOQ-UHFFFAOYSA-N 336.229 3.756 0 50 EHAA Clc1cnc(NCC[C@@H]2CCCCN2Cc2ccccc2)nc1 1506397515 UJFDXUPUKACKCO-KRWDZBQOSA-N 330.863 3.987 0 50 EHAA CC(C)[C@H]1CN(C(=O)c2ccnn2C(C)C)C[C@@H](c2ccccc2)O1 1529111495 ZIEOOGAEDIGXQI-MOPGFXCFSA-N 341.455 3.702 0 50 EHAA CN(Cc1ccccc1)Cc1cc(C(=O)N2CCCCCCC2)no1 12432714 YKKSSUVUKANDPR-UHFFFAOYSA-N 341.455 3.713 0 50 EHAA Cc1ccnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 13881180 QJIIYPQWYSMXRK-UHFFFAOYSA-N 328.224 3.823 0 50 EHAA CCCCOc1cccc(NC(=O)CSc2nnc(C)s2)c1 2968747 UHKDBEXKQSZPHK-UHFFFAOYSA-N 337.470 3.756 0 50 EHAA CC[C@@]1(C(=O)NCCc2ccc(Cl)cc2Cl)C[C@@H]2CC[C@H]1N2 1857675566 DISZDTNLKXNUCJ-YSVLISHTSA-N 341.282 3.573 0 50 EHAA Clc1cc2c(cc1-c1nccn1CC[C@H]1CCCOC1)OCO2 1857678459 YZQSUXOJISFOEU-GFCCVEGCSA-N 334.803 3.749 0 50 EHAA NC(=O)c1cc(NC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)ccc1F 666241914 XIRZEGLINHGFNR-HOCLYGCPSA-N 340.398 3.522 0 50 EHAA CC(C)Cc1ccc(-c2noc([C@H]3Cc4ccccc4O3)n2)c(O)n1 904232920 LEYUXRPNMSPFSY-MRXNPFEDSA-N 337.379 3.712 0 50 EHAA CCc1nnc([C@H]2CCCN(C(=O)C3CCC(F)(F)CC3)[C@H]2C)o1 952852607 GWRCECGATMPRFJ-AAEUAGOBSA-N 341.402 3.552 0 50 EHAA C[C@@]1(O)CCC[C@@H]1NCc1coc(-c2ccccc2C(F)(F)F)n1 2325772019 MKDWOQLRWKCVDO-GOEBONIOSA-N 340.345 3.754 0 50 EHAA CN(C[C@H]1CCN(Cc2ccccc2)C1)c1nc2ncccc2s1 2325858675 WUIOOLHNRMIJCF-MRXNPFEDSA-N 338.480 3.650 0 50 EHAA CC(=O)Nc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2Cl)cc1 289155 CZDWAVRZABWBBH-UHFFFAOYSA-N 345.786 3.509 0 50 EHAA COc1ccc([C@H]2N=C(c3ccccc3)C(C)(C)N2O)cc1OC 300216 GGUSVNJNBCCGLN-SFHVURJKSA-N 326.396 3.675 0 50 EHAA O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 310240 MGTRGNFWURFLKB-UHFFFAOYSA-N 342.826 3.831 0 50 EHAA COc1ccc(-c2cc(O)c3c(C)oc(C)c3c(=O)c2)cc1OC 313124 KFVLFOPPLVSOCX-UHFFFAOYSA-N 326.348 3.800 0 50 EHAA biogenic CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2 356398 UPSXGDQMNCGWTD-UHFFFAOYSA-N 347.798 3.907 0 50 EHAA COc1cccc(CNc2ccc(NC(=O)C(C)C)c(OC)c2)c1 360227 SONOSATZIOCSRP-UHFFFAOYSA-N 328.412 3.910 0 50 EHAA CCc1cccc(C)c1NC(=O)Cn1c(=O)sc2ccccc21 404974 XHHAITXIPQIMTQ-UHFFFAOYSA-N 326.421 3.573 0 50 EHAA Cc1cc(C)cc(NC(=S)NC(=O)COc2cccc(C)c2)c1 455958 ILSXKFWAENHECR-UHFFFAOYSA-N 328.437 3.504 0 50 EHAA Cc1ccc(C(O)(C(=O)NCc2ccccc2)c2ccc(C)cc2)cc1 1219097 OGDSHVCITMJUOX-UHFFFAOYSA-N 345.442 3.856 0 50 EHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccnc2O)ccc1F 102699896 BKMYTTAPAIGXQH-MUJYYYPQSA-N 340.398 3.786 0 50 EHAA COc1cccc([C@H]2NC(=S)NC3=C2CCCc2ccccc23)c1 8925707 ZZAGYJZHSQZOFE-GOSISDBHSA-N 336.460 3.962 0 50 EHAA CN(C)c1ncc(CN2CCC(Cc3ccccc3F)CC2)s1 20455926 DEZAWESRQAYPGQ-UHFFFAOYSA-N 333.476 3.803 0 50 EHAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2sc(C(C)C)nc2C)C1 67604466 RMDHNTWEONTJOF-AWEZNQCLSA-N 346.500 3.880 0 50 EHAA CC(C)CCc1cc(C(=O)N2CCCC[C@@H]2c2cccnc2)n[nH]1 409414208 IFPIJTSAYIRVQY-GOSISDBHSA-N 326.444 3.761 0 50 EHAA CCOc1nc(Nc2nc(-c3ccccc3)cs2)nc(OCC)n1 322543 RUSQPOINGIQRTF-UHFFFAOYSA-N 343.412 3.536 0 50 EHAA CCn1c(C)ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1=O 77287405 IUZLGPSHLVJDBI-SFHVURJKSA-N 342.414 3.683 0 50 EHAA CC1(C)CCc2ccccc2[C@@H](NC(=O)CCc2ccc(O)nc2)C1 281705858 HFRJDMAUQDAAFA-SFHVURJKSA-N 338.451 3.940 0 50 EHAA CCc1nc(C)c(Cn2ccnc2-c2ccc(-c3cc[nH]n3)o2)s1 77506105 DJOMZHHWLSEEAB-UHFFFAOYSA-N 339.424 3.909 0 50 EHAA FC(F)(F)c1nc(SCc2cnns2)c2ccccc2n1 328593118 BXLYBQONPLANDE-UHFFFAOYSA-N 328.344 3.792 0 50 EHAA O=C(Nc1ccc(Oc2cccnc2)cc1)N1CC[C@@H](n2cccn2)C1 361833051 DSIDVTKDEDOUSS-MRXNPFEDSA-N 349.394 3.549 0 50 EHAA COCc1ccc(C(=O)NCCc2ccccc2OC(C)C)s1 215940422 XWDQNQQPLZPPSO-UHFFFAOYSA-N 333.453 3.654 0 50 EHAA O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCC(c2cnc[nH]2)CC1 378071473 FRFKIZLWRNYWID-UHFFFAOYSA-N 348.450 3.790 0 50 EHAA CCCn1ccc2ccc(NC(=O)[C@H]3CCCN(C(=O)CC)C3)cc21 175268615 XFBMEZKPJSLZKG-INIZCTEOSA-N 341.455 3.638 0 50 EHAA CCOc1ccc(CN(c2cc([C@H]3CCOC3)ncn2)C2CC2)cc1 426525874 IWVJUDRHEBOQMN-INIZCTEOSA-N 339.439 3.548 0 50 EHAA O=C(c1ccc(-c2cccc(F)c2)cc1)N1CCC2(CCNCC2)C1 222623894 AELXFAMUNVRGEO-UHFFFAOYSA-N 338.426 3.708 0 50 EHAA O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCC[C@@H](c2ccccc2)C1 91694036 FKUDUXIHJMZVOO-MRXNPFEDSA-N 347.418 3.802 0 50 EHAA O=C(N[C@H]1CC12CCCCC2)c1ncccc1OCc1ccncc1 180642960 FCNAUUPBYHFNIU-KRWDZBQOSA-N 337.423 3.508 0 50 EHAA C[C@H](N)[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 299740078 VMXZXVHDVDMKLG-HOCLYGCPSA-N 342.414 3.817 0 50 EHAA CC[C@@H](NC(=O)c1cccc(-c2cccc(OC)c2)c1)[C@H]1C[C@H](O)C1 244564049 CLUUKOYJIZUDPP-QWFCFKBJSA-N 339.435 3.642 0 50 EHAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cn(C)c2ccccc12 253403616 HGUWLMAJNIIWLA-QFBILLFUSA-N 339.483 3.515 0 50 EHAA biogenic CCN(Cc1ccc(SC)cc1)C(=O)Nc1cn(CC)nc1C 299777191 JWHDHFIKJGGJFI-UHFFFAOYSA-N 332.473 3.987 0 50 EHAA CC(C)(C)C[C@@H](NC(=O)c1ccccc1-n1cncn1)c1cccnc1 670457319 UPXJUFUZLCPCED-QGZVFWFLSA-N 349.438 3.570 0 50 EHAA Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc([C@H]2CCOC2)c1 270504569 DZTPIQOAFHXGBY-ICSRJNTNSA-N 338.451 3.896 0 50 EHAA CN(C)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cn1 170635776 YVEQUONLXDUGRB-NWDGAFQWSA-N 333.794 3.682 0 50 EHAA Cc1csc([C@@H]2COCCN2C(=O)C=C2CCC(C)(C)CC2)n1 188660506 PFHZYBQJBDAZKL-HNNXBMFYSA-N 334.485 3.878 0 50 EHAA Cc1csc([C@H]2COCCN2C(=O)C=C2CCC(C)(C)CC2)n1 188660528 PFHZYBQJBDAZKL-OAHLLOKOSA-N 334.485 3.878 0 50 EHAA CCc1oc(C(=O)O)cc1CN1CCc2ccccc2C(C)(C)C1 656758981 RUEZVPSWCYXMKS-UHFFFAOYSA-N 327.424 3.876 0 50 EHAA O=C1C[C@@H](C(=O)Nc2c(Cl)cccc2Cl)C2(CCCC2)O1 610244 AUOAVYBJBNSECQ-VIFPVBQESA-N 328.195 3.808 0 50 EHAA CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 472952 YHHYPPRBOIMVKO-DHZHZOJOSA-N 343.467 3.799 0 50 EHAA Cc1cc(NC(=O)c2cc(F)ccc2F)ccc1N1CCCC1=O 11746490 CFYJPQNMXILWTA-UHFFFAOYSA-N 330.334 3.652 0 50 EHAA COc1ccc(-c2nc(CN3CCC[C@@H](OC)C3)c(C)o2)c(C)c1C 12030559 FMTMQOKJMLQFKS-MRXNPFEDSA-N 344.455 3.886 0 50 EHAA COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(F)cc3)n2)cc1 6520791 DHZYVNPQODZHAK-UHFFFAOYSA-N 343.383 3.594 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1 4866012 ZNEPOTRXHLODMA-UHFFFAOYSA-N 343.858 3.653 0 50 EHAA O=C(Cc1nc2ccccc2s1)NC12CC3CC(CC(C3)C1)C2 5740088 DFDFICVLJMEZAJ-UHFFFAOYSA-N 326.465 3.924 0 50 EHAA OC[C@@H](Nc1ncnc2c1oc1ccccc12)c1c(F)cccc1F 341476828 GBKPILDGEGGVEI-CYBMUJFWSA-N 341.317 3.800 0 50 EHAA CC(C)c1cc(-c2nc(-c3ccc(C(F)F)nc3)no2)cc(O)n1 664956275 WIULFOJOTTZJHO-UHFFFAOYSA-N 332.310 3.960 0 50 EHAA COC(=O)c1ccc2c(O)nc([C@H](F)c3ccc(Cl)cc3)nc2c1 253535116 LKIRRVRIHGMWRE-CQSZACIVSA-N 346.745 3.834 0 50 EHAA Cc1ccc(-c2noc([C@@H]3CCN(Cc4ccccc4)C3=O)n2)s1 904091872 YMTQKFDLBQOPKE-AWEZNQCLSA-N 339.420 3.623 0 50 EHAA Cc1occc(=O)c1OCC(=O)N(c1ccsc1)C1CCCCC1 904921241 WZZUTYRSYYCXRG-UHFFFAOYSA-N 347.436 3.754 0 50 EHAA Cc1nc(C)c(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)O)o1 905070475 XGUMPUUKSQRZOU-JYRVWZFOSA-N 349.390 3.524 0 50 EHAA Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](C)c1noc(C(F)F)n1 822513725 KKGRZEMJSRNBBR-SSDOTTSWSA-N 327.331 3.697 0 50 EHAA Cc1cc([C@@H]2CCCN(C(=O)c3ccccc3-n3cccc3)C2)n[nH]1 935852671 QNZCBBBPHOLMHV-MRXNPFEDSA-N 334.423 3.529 0 50 EHAA Cc1cc(Cl)ccc1C1(C(=O)N2CCc3c(O)cccc3C2)CC1 1875268705 PRZUYXUQYVUPMH-UHFFFAOYSA-N 341.838 3.971 0 50 EHAA COc1ccc([C@@H](C)NC(=O)c2cc(Cl)nc(Cl)c2C)cn1 1875371238 URQZRFIIULHOEB-SECBINFHSA-N 340.210 3.591 0 50 EHAA C[C@@H]1CCC[C@H](CC(=O)N[C@@H](CO)c2ccc(F)c(Cl)c2)C1 1875356185 IMKBJZMJAVPILH-WQGACYEGSA-N 327.827 3.845 0 50 EHAA Cc1nnc([C@H]2CCCN(C(=O)c3ccc(C(C)C)nc3C)[C@H]2C)o1 886084776 GUZWTHBALGPXQL-BBRMVZONSA-N 342.443 3.613 0 50 EHAA O=C(O)C[C@H](NC(=O)CSc1ccccc1)c1cccc(Cl)c1 4686101 XZSUEMNKDLEHQX-HNNXBMFYSA-N 349.839 3.764 0 50 EHAA Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 127209 ZFKMGMOVCPGFTA-UHFFFAOYSA-N 337.242 3.834 0 50 EHAA CN1CCC(N(C)c2nc(-c3ccccc3)nc3ccccc23)CC1 132601 SUWUZUZIVDBESQ-UHFFFAOYSA-N 332.451 3.827 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1C 314187 WLCWOUOKZJYFJQ-AWEZNQCLSA-N 342.826 3.948 0 50 EHAA CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc(Cl)c1)C(=O)O 391969 KLTFJXPAPHYWKB-KRWDZBQOSA-N 339.819 3.737 0 50 EHAA COC(=O)c1cccc(NC(=O)CCCOc2cccc(C)c2)c1 1773732 AANNYFBFXRKCKF-UHFFFAOYSA-N 327.380 3.579 0 50 EHAA CCN(CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C)cc1 2221663 VIIAGDWVLDNOPX-FQEVSTJZSA-N 337.467 3.903 0 50 EHAA O=C(Nc1ccc(F)cc1)c1ccc(Cn2nnc3ccccc32)cc1 2833874 NXDPKMGDLLHBGF-UHFFFAOYSA-N 346.365 3.871 0 50 EHAA CCC(=O)Nc1ccc2c(c1)nc(CN1CCCCCC1)n2CC 9942051 MBJNGUIGGSOPER-UHFFFAOYSA-N 328.460 3.781 0 50 EHAA CCCc1nc(CN(CC)Cc2ccc([C@@H]3CCCCO3)o2)no1 55370663 NVIWNRUDHAIDJC-HNNXBMFYSA-N 333.432 3.879 0 50 EHAA O=C(NCCSc1ccccc1)c1ccc(CN2CCCC2)cc1 10327822 USOWQTXTNBEXLM-UHFFFAOYSA-N 340.492 3.805 0 50 EHAA NCC[C@@H]1CCCN(Cc2c(-c3ccccc3)nc3ccccn23)C1 67975617 ZGWYVQWRGBFPLO-KRWDZBQOSA-N 334.467 3.562 0 50 EHAA CCCCC[C@@H](O)/C=C/[C@H]1[C@H]2C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O2 64857954 KBFCVOAVUKWCPS-CKXCCYAOSA-N 336.472 3.523 0 50 EHAA in-vitro COc1cc2c(cc1[C@H]1CC(=O)Nc3cc4[nH]ncc4cc31)CCC2 67513706 NHQNIANKNMGRCV-AWEZNQCLSA-N 333.391 3.534 0 50 EHAA O=C(NCc1ccco1)c1ccc2nc(C(F)(F)F)sc2c1 20427081 OHLUMEBLTTZWDQ-UHFFFAOYSA-N 326.299 3.838 0 50 EHAA CCc1ccc(-c2c(-c3ccccc3)ncn2CCCc2nnn[nH]2)o1 65536105 QGPWNVNLDVPVBG-UHFFFAOYSA-N 348.410 3.518 0 50 EHAA Cc1csc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)n1 146336986 MCBYUYDHMZMBML-LSDHHAIUSA-N 331.441 3.741 0 50 EHAA Cc1cc(NC[C@@H]2CCN(Cc3ccccc3)C2)n2nc(C)c(C)c2n1 72477825 MZMIBHFRQJVZEV-IBGZPJMESA-N 349.482 3.589 0 50 EHAA CCOc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1 33088883 WFXHUYWMWHPSGI-CYBMUJFWSA-N 348.402 3.770 0 50 EHAA O=C(O)c1ccccc1[C@@H]1CCN(C(=O)Nc2ccc(F)c(F)c2)C1 72156765 IUVOADUYMRCRLL-LLVKDONJSA-N 346.333 3.684 0 50 EHAA Cc1ccccc1-c1c[nH]nc1C1CCN(C[C@H]2CCOC2)CC1 77287700 KWBIOVMELDUGSM-MRXNPFEDSA-N 325.456 3.601 0 50 EHAA CC[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2C)c2ccccc2O1 172691445 RVFSPJFXKVNNII-KRWDZBQOSA-N 347.418 3.999 0 50 EHAA COCCCN(C)C(=O)N1CCC[C@H]1c1nc(C2CCCCC2)co1 364979888 JLXQXRDHTWVGMZ-KRWDZBQOSA-N 349.475 3.948 0 50 EHAA O=c1ccccn1C[C@@H](Nc1ncnc2sccc12)c1ccccc1 336883513 CUNUSIKADDHSHP-MRXNPFEDSA-N 348.431 3.706 0 50 EHAA O=C(N[C@H](c1cccnc1)C(F)(F)F)c1cc(-c2ccccc2)on1 77338003 YZQCELHLJLNVLL-OAHLLOKOSA-N 347.296 3.770 0 50 EHAA C[C@H](O)CN(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72473276 HFPNMJPCGNHNOV-LBPRGKRZSA-N 342.826 3.941 0 50 EHAA OCCNc1nc(Nc2ccc(F)c(Cl)c2)nc2ccccc12 41150002 KISRYJGVVFQZMC-UHFFFAOYSA-N 332.766 3.570 0 50 EHAA COc1cccc(-c2cc(-c3nnc(S)n3C)c3ccccc3n2)c1 17072406 ZNJQUKUAUYYXGY-UHFFFAOYSA-N 348.431 3.995 0 50 EHAA O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCN(C2CCCCC2)C1 177683888 IHOQRKKTULLTCP-INIZCTEOSA-N 339.439 3.935 0 50 EHAA Cc1n[nH]c(C)c1CCC(=O)N1CCC(c2ccc(F)c(F)c2)CC1 264158916 BAKIMACDLYFFTC-UHFFFAOYSA-N 347.409 3.644 0 50 EHAA COCC[C@]1(CO)CCCN(Cc2ccc(Cl)c(Cl)c2)C1 91625791 LTOHHVVMRNEZED-MRXNPFEDSA-N 332.271 3.604 0 50 EHAA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccccc1-c1ccccc1)[C@@H]1C[C@@H]31 239274739 AQCFBQWYIVUEDP-JPRZGNOKSA-N 341.410 3.911 0 50 EHAA Cc1cccc(CSCCCNC(=O)Nc2c(C)nn(C)c2C)c1 95523054 ORFZZWQAXJWLBK-UHFFFAOYSA-N 346.500 3.790 0 50 EHAA CCC1CCC(N(C)C(=O)c2cnc(-c3ncccn3)s2)CC1 299569897 ULFHXBBORMOUFG-UHFFFAOYSA-N 330.457 3.641 0 50 EHAA O=C(O)C[C@@H]1CCCN(Cc2ccc(Cl)c3cccnc23)CC1 299743339 KIZLRAVSJTUTQO-CYBMUJFWSA-N 332.831 3.965 0 50 EHAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC(=O)[C@H]32)C1 253488571 BDDNDFYQROQZDO-TWRXUGSLSA-N 344.451 3.629 0 50 EHAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1C[C@H]2C2=C1[C@H]1CC[C@H]2C12CC2 257357944 QWKWYWSTSKBGFO-HNFIAXRJSA-N 331.415 3.559 0 50 EHAA COc1cc(-c2ccc([C@H](C)N3CCCCC3)cc2)nc(OC)n1 534640158 ZLSNEZRWCIRTEH-AWEZNQCLSA-N 327.428 3.708 0 50 EHAA CC(C)c1nnc([C@H](C)NC(=O)Nc2ccc3scnc3c2)o1 299781140 KYOHYXWGNPPZDR-VIFPVBQESA-N 331.401 3.685 0 50 EHAA Cc1cc(O)nc(C)c1C(=O)NCC1(c2cccc(F)c2)CCCC1 299755702 BWPXKPWJESWECO-UHFFFAOYSA-N 342.414 3.785 0 50 EHAA CC(C)C[C@]1(CO)CCCN1C(=O)Nc1ccc(C(F)(F)F)nc1 276542242 DSPWHRRBFVURJU-HNNXBMFYSA-N 345.365 3.505 0 50 EHAA CCn1c([C@H]2CCCN2c2cc(C)nc(OC)n2)nc2ccccc21 680622906 SFGXWGJYDMCMMV-MRXNPFEDSA-N 337.427 3.505 0 50 EHAA Cc1noc2ncnc(N[C@@H]3CCCOc4c(Cl)cccc43)c12 192522177 CGNUROSJRSSUDO-GFCCVEGCSA-N 330.775 3.905 0 50 EHAA CC(C)N(Cc1c[nH]cn1)Cc1nnc(-c2ccccc2Cl)o1 193385866 REHUZTSNSLTQHX-UHFFFAOYSA-N 331.807 3.524 0 50 EHAA CC[C@H](NC1CCN(Cc2ccco2)CC1)c1ccc(OC)cc1 1506419549 FGJIROGKOFMSIN-FQEVSTJZSA-N 328.456 3.994 0 50 EHAA C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Br 2695295 VQXVBMDJNYKKTM-SNVBAGLBSA-N 338.176 3.994 0 50 EHAA Cc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 456637 MFMZAZPSCDFNIH-WEVVVXLNSA-N 346.839 3.880 0 50 EHAA CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)C[C@@H]1CCCO1 12708411 NEBHBDHHFXNGQT-HNNXBMFYSA-N 335.835 3.781 0 50 EHAA CCc1noc(C)c1C(=O)Nc1sc(C)c(CC)c1C(=O)OC 13327240 CULBBHDIAJPEEI-UHFFFAOYSA-N 336.413 3.517 0 50 EHAA O=C(NCc1cccnc1Oc1ccccc1)c1ccc2c(c1)OCO2 15076217 YISDSTPRJMLHTR-UHFFFAOYSA-N 348.358 3.533 0 50 EHAA O=C(NCCOc1ccccc1F)c1ccc(Cl)cc1Cl 2940311 WNMKGQXBHGKFHH-UHFFFAOYSA-N 328.170 3.941 0 50 EHAA O=C(COc1ccc(CCO)cc1)Nc1ccccc1-c1ccccc1 4841479 YRTXFHJZMDXASY-UHFFFAOYSA-N 347.414 3.906 0 50 EHAA COc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1Cl 4856272 SGBAWKMWWRGWQB-UHFFFAOYSA-N 327.771 3.787 0 50 EHAA CC[C@@H]1C(=O)C[C@@H](c2ccccc2)S(=O)(=O)[C@H]1c1ccccc1 5337538 SKMRUNSHSVHIDZ-NEWSRXKRSA-N 328.433 3.883 0 50 EHAA C[C@@H](NC=O)c1nc2ccccc2n1CCCCOc1ccccc1 6700729 LRARVMHZRHHDGQ-MRXNPFEDSA-N 337.423 3.703 0 50 EHAA O=C1C[C@@H](c2ccccc2O)Cc2nc3nc4ccccc4n3cc21 5450875 UUZORSRHBQFNKT-LBPRGKRZSA-N 329.359 3.501 0 50 EHAA Cc1ccc(F)c(C(=O)N[C@H]2CCCc3c2c(C)nn3C)c1Cl 1857679208 HSPYYMREKWJHGX-LBPRGKRZSA-N 335.810 3.637 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccccc1C(F)(F)F 225452600 KAVXIZHEZYKCDT-UGFHNGPFSA-N 327.346 3.923 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2c(C)ccnc2C)cc1C(F)(F)F 239654480 BNYBCZDMQAQYBZ-UHFFFAOYSA-N 344.358 3.826 0 50 EHAA O=C(NCCc1cnc2ccccc2c1)[C@@H]1CCO[C@H]1c1ccccc1 830888730 JQWKUFRKCLQWHM-CTNGQTDRSA-N 346.430 3.671 0 50 EHAA CN(c1ccccc1)[C@H]1CCN(C(=O)c2cnc3c(F)cccc3c2)C1 1287282979 VDCMOYMOOQWPOE-SFHVURJKSA-N 349.409 3.725 0 50 EHAA Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3C[C@H]4C[C@H]3CC4(F)F)c12 1875297430 PPGWJUPFCWNGQF-LOWVWBTDSA-N 347.365 3.572 0 50 EHAA c1ccc(Oc2cccc(CN3CCC(c4cc[nH]n4)CC3)c2)nc1 891891820 UBVSFCPRKXQBPR-UHFFFAOYSA-N 334.423 3.977 0 50 EHAA C[C@@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccc(O)cc1 4653766 XBXULGCDVRBIAT-GFCCVEGCSA-N 331.799 3.886 0 50 EHAA C[C@]1(O)CCC[C@H]1NC(=O)Cn1c(-c2ccccc2)cc2ccccc21 2325839627 ZNRYXRZJYREJTC-IRLDBZIGSA-N 348.446 3.728 0 50 EHAA CN(Cc1ccc(-c2cccnc2)c(F)c1)C(=O)c1ccc(CN)cc1 2325865307 XEVCZDINIKYIDV-UHFFFAOYSA-N 349.409 3.619 0 50 EHAA C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)CC[C@H]1CCCN(C)C1 2325875240 KUAVNGHAIHKEKN-LZJOCLMNSA-N 328.500 3.938 0 50 EHAA COc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 59875 UGCUSLLCJRNUPD-UHFFFAOYSA-N 327.409 3.756 0 50 EHAA O=C(Nc1nc2sc3c(c2c(=O)s1)CCCC3)c1ccccc1 120408 QXMXACCMCBSBND-UHFFFAOYSA-N 342.445 3.849 0 50 EHAA O=C(O)c1cn(-c2ccc(F)cc2)c2cc(Cl)c(F)cc2c1=O 386998 FBAMWRYINJFGPJ-UHFFFAOYSA-N 335.693 3.621 0 50 EHAA in-vitro CN(C(=O)c1ccccc1)[C@H]1c2c(ccc3ccccc23)OC[C@H]1CO 1393259 QWXBVIALYCCYET-DYESRHJHSA-N 347.414 3.654 0 50 EHAA CCCCN1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 2273335 ZHBVPXBHHSJIMN-IRLDBZIGSA-N 337.463 3.879 0 50 EHAA O=C(O)CSc1ccc(Cc2ccc(SCC(=O)O)cc2)cc1 3681387 ZAQPFFUYXYQCFR-UHFFFAOYSA-N 348.445 3.631 0 50 EHAA COc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 4842975 GXECTXCNKFYZJI-CYBMUJFWSA-N 333.815 3.741 0 50 EHAA O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1cccc2ccccc12 4916285 DJXMUYNZHYTLFL-FQEVSTJZSA-N 346.411 3.725 0 50 EHAA CC1CCN(C(=O)CSCc2ccc(Br)cc2)CC1 5050311 HDMXTWSRUVMQKX-UHFFFAOYSA-N 342.302 3.941 0 50 EHAA Cc1cc(C(=O)NCc2cccnc2Oc2c(C)cccc2C)no1 11820731 RPYIKXCRZMWJKR-UHFFFAOYSA-N 337.379 3.717 0 50 EHAA CC[C@H](C)[C@@H](N)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 12374439 ABQUFQQMQCPHOH-TVQRCGJNSA-N 339.848 3.744 0 50 EHAA COc1cccc([C@H](C)NC(=O)Cc2ccc(Br)cc2)c1 12383775 FQUDACFULVIVBS-LBPRGKRZSA-N 348.240 3.878 0 50 EHAA Nc1ccccc1-c1nnc(SCc2ccccc2Cl)nc1O 18158020 SUPNNYIHXAFQPL-UHFFFAOYSA-N 344.827 3.772 0 50 EHAA O=C1C[C@@H](c2cc(F)ccc2F)c2ncn(-c3cccc(F)c3)c2N1 40287078 YXHVHFHGLRZGDK-AWEZNQCLSA-N 343.308 3.764 0 50 EHAA C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 44934121 PNLNJYNFNCXKDL-MRXNPFEDSA-N 340.442 3.915 0 50 EHAA CCOc1cccc(CN(CCO)Cc2cnc3ccccc3c2)c1 55226242 GGQHFCIMZLNXFD-UHFFFAOYSA-N 336.435 3.628 0 50 EHAA CCOC(=O)c1cn(CCSCC)cc(Oc2ccccc2)c1=O 55306785 TUFAWOXUKJOEFW-UHFFFAOYSA-N 347.436 3.570 0 50 EHAA CCCSc1ncc([C@H]2CC(=O)Nc3cc(OCC)ccc32)cn1 65455978 BGINEHHFDMVILA-OAHLLOKOSA-N 343.452 3.852 0 50 EHAA CC[C@H](NC(=O)Cc1nc2cc(Cl)ccc2[nH]1)c1ncccc1C 67641880 DHQUSELWOGEMQZ-ZDUSSCGKSA-N 342.830 3.730 0 50 EHAA O=C(Cc1ccc(Cl)cc1F)Nc1ccc(N2CCCC2=O)cc1 71375918 KJDKOKDCNAXKNV-UHFFFAOYSA-N 346.789 3.787 0 50 EHAA CCOc1cccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1 72115473 KAXFGECTRQULBZ-INIZCTEOSA-N 325.412 3.871 0 50 EHAA O=C1CCCN1CCC1CCN(Cc2ccc(F)c(Cl)c2)CC1 77393291 YFBKMILZUKERIZ-UHFFFAOYSA-N 338.854 3.704 0 50 EHAA Cc1cc(C)n(C[C@H](C)NC(=O)CCCc2c[nH]c3ccccc23)n1 79691792 DNFMROAILIMAKM-HNNXBMFYSA-N 338.455 3.509 0 50 EHAA Cc1cc(C)cc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)c1 82133615 VPAJKTBEHICXBT-SFHVURJKSA-N 337.467 3.930 0 50 EHAA CN(CCC[C@@H]1CCCO1)C(=O)COc1ccc(Cl)cc1Cl 91636694 RASYFXMIOHHRMF-CYBMUJFWSA-N 346.254 3.790 0 50 EHAA CCc1ccccc1OC1CN(C(=O)c2ccnc3ccccc23)C1 92061741 JEBLSLJXGKGUFU-UHFFFAOYSA-N 332.403 3.701 0 50 EHAA Cc1nc([C@H](C)N(C)C(=O)Cn2c(C)nc3ccccc32)c(C)s1 95373659 RGBQPUJYMQTQLT-NSHDSACASA-N 342.468 3.638 0 50 EHAA COc1ccccc1Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 101905706 WRSLEFYFDNBQGF-IAGOWNOFSA-N 349.386 3.943 0 50 EHAA CSCc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C)c1 109232563 HSNNKZDSBVIHGF-UHFFFAOYSA-N 338.436 3.691 0 50 EHAA CC[C@@H](NC(=O)N1CCc2c(F)ccc(F)c2C1)c1c(C)noc1C 129212300 XAIJSYQXMJRJFA-MRXNPFEDSA-N 349.381 3.789 0 50 EHAA Cc1ccc(SCC(=O)N2C[C@@H](C)[S@](=O)c3ccccc32)cc1 170614402 IZOQISFGFZJEFK-FATZIPQQSA-N 345.489 3.630 0 50 EHAA Cc1cc(C)n(-c2cncc(NCC3(c4ccccc4)CCC3)n2)n1 170618524 FZFXUOKLZVNHNH-UHFFFAOYSA-N 333.439 3.813 0 50 EHAA CC(C)Cn1cncc1CNC(=O)C1(c2ccc(Cl)cc2)CCC1 222797842 ARBRPWVQOHAYOK-UHFFFAOYSA-N 345.874 3.931 0 50 EHAA CCS(=O)(=O)c1ccccc1N1CCC[C@H]1c1ccc(COC)o1 225523217 MKJBQXDEYPDJKC-HNNXBMFYSA-N 349.452 3.561 0 50 EHAA O=C(O)c1ccc(C(=O)N(CCC(F)(F)F)C2CCCCC2)cn1 238031165 OMCJAVNORWGRPW-UHFFFAOYSA-N 344.333 3.507 0 50 EHAA COCCOC1CCC(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C)CC1 281218796 OFJZQXBXXUKWFV-GIESBBMHSA-N 345.483 3.648 0 50 EHAA Cc1nc2c(c(NCc3ccc(-n4ccnc4)c(F)c3)n1)CCCC2 302071822 YWTVXZMNIYWSMK-UHFFFAOYSA-N 337.402 3.601 0 50 EHAA Clc1nc2ccccn2c1CNC[C@H]1CCO[C@@H]1c1ccccc1 328620447 HAEHJOYVYRGDGQ-CRAIPNDOSA-N 341.842 3.855 0 50 EHAA C[C@H](c1cccc(CN(C)Cc2noc(C3CCC3)n2)c1)N(C)C 823719850 PUYKLKIVZATVQS-CQSZACIVSA-N 328.460 3.592 0 50 EHAA Cc1c(Br)cccc1CCNC(=O)c1ncoc1C1CC1 830556297 DOJYOJFSOYDGID-UHFFFAOYSA-N 349.228 3.595 0 50 EHAA Cc1c(NC(=O)CC(C2CCC2)C2CCC2)cnn1[C@H]1CCOC1 888100452 OZUJWIXYAHSUJO-INIZCTEOSA-N 331.460 3.698 0 50 EHAA C[C@@H]1CC=CC[C@H]1NC(=O)[C@H](CC(=O)O)c1c(F)cccc1Cl 899856153 MKPMCSCGIMDGKF-JTNHKYCSSA-N 339.794 3.508 0 50 EHAA FC(F)(F)[C@@H](Sc1n[nH]c(Cc2cccs2)n1)[C@@H]1CCOC1 901447099 JTAVHSUBZKLGGR-KCJUWKMLSA-N 349.403 3.517 0 50 EHAA Cn1ccnc1[C@@H]1OCCC[C@H]1CNc1ccc(C(C)(C)C)nc1 902302186 QFQWGANPSLZRCE-WMLDXEAASA-N 328.460 3.692 0 50 EHAA CCN1CCO[C@@H](c2nnc(-c3sc4ccccc4c3Cl)o2)C1 1257730784 KCNCNDQLANPLBJ-LLVKDONJSA-N 349.843 3.998 0 50 EHAA Cc1cccc(OCc2nn3c(CSC(C)C)nnc3s2)c1 1776110971 CQFVNHPNDCXKAE-UHFFFAOYSA-N 334.470 3.715 0 50 EHAA CO[C@@H](COc1cnn(Cc2ccc(F)cc2)c1)Cc1ccccc1 1875328100 YIJDIAYJGONEOB-LJQANCHMSA-N 340.398 3.707 0 50 EHAA Cc1ccc2cnccc2c1C(=O)Nc1ccc(-n2ccnc2C)nc1 1875342518 VICDNJPNDRVJRQ-UHFFFAOYSA-N 343.390 3.685 0 50 EHAA CCCOc1nc2ccccc2cc1C(=O)OC[C@H]1C[C@@]12CCOC2 1875357747 VHGLZGFWFVPZLN-FOIQADDNSA-N 341.407 3.607 0 50 EHAA CCCNc1cc(N(C)Cc2ccc(OC(F)(F)F)cc2)ncn1 2325825596 WMDOGBVOYBHTOL-UHFFFAOYSA-N 340.349 3.834 0 50 EHAA CN(Cc1ccc(C(F)(F)F)cc1)C1=NC[C@H](c2ccccc2)N1 2325863456 KPRILCYRSOCMMF-MRXNPFEDSA-N 333.357 3.838 0 50 EHAA O=C1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1 1919 CGMJQQJSWIRRRL-UHFFFAOYSA-N 349.615 3.892 0 50 EHAA in-vitro O=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2F)CC1 281030 UVOKDCJXGIMJDD-UHFFFAOYSA-N 333.794 3.833 0 50 EHAA Cc1nc2ccccc2c2c1C(=O)N([C@@H](C)Cc1ccccc1)C2=O 468371 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UMFHBSJWOCSSFU-CQSZACIVSA-N 349.438 3.975 0 50 EHAA O=C(c1cccc(-c2ccc(O)cc2)c1)N1CCC[C@@H]1Cn1cccn1 55060497 MDIDEQCGVAKOFP-LJQANCHMSA-N 347.418 3.561 0 50 EHAA Cc1ncnc(NCc2cccnc2N(C)Cc2ccccc2)c1C 67742446 WDTKWXVHXOKIHS-UHFFFAOYSA-N 333.439 3.737 0 50 EHAA O=C(NC(=S)Nc1ccccc1Br)c1ccccc1 5581969 DNXBFCJFFLDLAK-UHFFFAOYSA-N 335.226 3.576 0 50 EHAA Cc1cccnc1[C@H]1CCC[C@@H](NCc2ncnn2C(C)(C)C)C1 253397420 XBXOBYOAKIALQH-JKSUJKDBSA-N 327.476 3.553 0 50 EHAA O=C(NOCc1cccnc1)N1C[C@H]2CCCC[C@@]21c1ccccc1 119021378 XCKGRNMQQBNSBC-UYAOXDASSA-N 337.423 3.624 0 50 EHAA CCc1noc([C@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 229282152 SZHYDZNPBGKIPL-QWHCGFSZSA-N 326.400 3.714 0 50 EHAA COc1ccccc1[C@H](NC(=O)Nc1cccc(C)n1)c1ccccn1 124779074 GQBRVLYFFBBNPD-IBGZPJMESA-N 348.406 3.705 0 50 EHAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 11665433 TWXPQRAMEFKBKS-LJQANCHMSA-N 338.451 3.964 0 50 EHAA Cc1ccccc1Cn1cc(NC(=O)c2c(F)cccc2F)cn1 2767865 UPOZQCSSUNXFLQ-UHFFFAOYSA-N 327.334 3.770 0 50 EHAA CC(C)(CN1CCC[C@@H](CCc2ccc(F)cc2)C1)N1CCOCC1 71415751 LHBHCNICVWWQJC-IBGZPJMESA-N 348.506 3.581 0 50 EHAA O=C(NCCc1nccc(-c2ccccc2)n1)c1ccccc1Cl 219177327 ZQLQZCOHGMXQNB-UHFFFAOYSA-N 337.810 3.770 0 50 EHAA C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N(C)CCCO)c2)C1 282438217 ZGSMIPZUXRBYLS-MAUKXSAKSA-N 334.460 3.628 0 50 EHAA CN(Cc1cnc(SCc2ccccc2)nc1)[C@@H]1CCCC[C@@H]1O 215978098 JJPSRIYAUOWPQQ-MSOLQXFVSA-N 343.496 3.504 0 50 EHAA O=C(O)c1ccc(/C=C/S(=O)(=O)Cc2ccc(Cl)cc2)cc1 34007613 KBEKQQJUNVQLDZ-MDZDMXLPSA-N 336.796 3.624 0 50 EHAA in-man C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(CCC(=O)O)cc1 237479632 PKADPCFOYPJXLL-OAHLLOKOSA-N 341.407 3.748 0 50 EHAA COc1cc(F)ccc1-c1ccc(=O)n(Cc2cccc(Cl)c2)n1 40285073 CSHPVIXFDLOCGY-UHFFFAOYSA-N 344.773 3.760 0 50 EHAA Cc1ccc(C)c(CN2CCC3(CC2)Nc2ccccc2NC3=O)c1 82106881 ALTVLRJYLHTWNX-UHFFFAOYSA-N 335.451 3.702 0 50 EHAA O=C1c2ccc(F)cc2C(=O)N1Cc1csc(C2CCCC2)n1 176789200 FNZPAAVFEWPMFD-UHFFFAOYSA-N 330.384 3.736 0 50 EHAA O=C(O)c1ccc([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)o1 334163153 MRABAWUKIDMVPO-SFHVURJKSA-N 333.343 3.723 0 50 EHAA COc1ccc2[nH]c(CN3CCC[C@H](c4ccncn4)C3)c(C)c2c1 97475579 YORXTDFBTRVSDO-HNNXBMFYSA-N 336.439 3.655 0 50 EHAA CCn1nc(C(C)C)cc1C(=O)NC1(Cc2ccccc2C)CC1 91896451 HTKGINOBVBHION-UHFFFAOYSA-N 325.456 3.840 0 50 EHAA CC(=O)Nc1cccnc1NC(=O)c1sc(C2CCCC2)nc1C 184482468 NCMMTQHEJUYUJD-UHFFFAOYSA-N 344.440 3.715 0 50 EHAA O=C(c1scnc1C1CCCC1)N1CCCC[C@@H]1c1ncon1 184938673 OYBUPKVIOAXKKA-GFCCVEGCSA-N 332.429 3.551 0 50 EHAA CSc1ccccc1-c1cccc(C(=O)N2CCC[C@H](N)C2)c1 299757287 KLXRGUVGYXVFLM-INIZCTEOSA-N 326.465 3.639 0 50 EHAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)N[C@H](C)c1cccc3ccccc13)C2 670450818 PKKKMVBXFCFADW-PYQAKABTSA-N 338.451 3.967 0 50 EHAA CCOc1cc(C(=O)N2CCC(c3ccc4[nH]ccc4c3)CC2)on1 1336144456 YZYCPBKTFASETN-UHFFFAOYSA-N 339.395 3.574 0 50 EHAA COC(=O)[C@H](C)CN(C)C(=O)c1ccc(-c2ccc(C)cc2)cc1F 170622743 QLFHIWRHBCFIOT-CQSZACIVSA-N 343.398 3.682 0 50 EHAA Cc1cc(NC(=O)Cc2coc(-c3ccccc3)n2)ccc1C(=O)O 170045521 SOTPHABVGHBWID-UHFFFAOYSA-N 336.347 3.529 0 50 EHAA O[C@@H](CC1CCCC1)CN1CCC(c2c[nH]c3ncccc23)CC1 190873837 ROZPRUKSYKYJDL-KRWDZBQOSA-N 327.472 3.684 0 50 EHAA Cc1c(OCc2ccccc2)c(=O)ccn1Cc1cc(C2CC2)no1 664091749 SJIONVKFZRCBJU-UHFFFAOYSA-N 336.391 3.649 0 50 EHAA Cc1cc(NC[C@@H]2CC(=O)N(C3CCCC3)C2)nc2cc(F)ccc12 1529174533 VKSPLPXMILEDPK-AWEZNQCLSA-N 341.430 3.885 0 50 EHAA CCc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cs1 13331992 WTTDFEMGYQSUHT-UHFFFAOYSA-N 328.481 3.890 0 50 EHAA O=C(c1ccc(Cl)cc1F)N1CCN(c2ccccc2F)CC1 14301530 OHYVVHGOORDARW-UHFFFAOYSA-N 336.769 3.581 0 50 EHAA Cc1cccc(NC(=S)N2CCN(Cc3ccccc3)CC2)c1 19841096 HQFQSOZXCKATLJ-UHFFFAOYSA-N 325.481 3.510 0 50 EHAA CC[C@H](NC(=O)Cc1cn2ccsc2n1)C(C)(C)c1ccccc1 120325254 BPFHGVPSYSFBEK-INIZCTEOSA-N 341.480 3.811 0 50 EHAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1nnc(-c2ccsc2)o1 241124340 JHMFNFDVGIDNEK-UMVBOHGHSA-N 345.468 3.910 0 50 EHAA CCc1cc(C(=O)O)ccc1NC(=O)[C@@H]1CCc2ccc(OC)cc21 910958212 FWWOEPRRRYPRFP-MRXNPFEDSA-N 339.391 3.624 0 50 EHAA C=CC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CC[C@@H](O)C1 1875382475 CMJNQDVBEAZNRL-BXUZGUMPSA-N 328.239 3.669 0 50 EHAA NCc1ccccc1C1CCN(Cc2nc3cccnc3s2)CC1 2325789948 YKLFFQHWHPDPOM-UHFFFAOYSA-N 338.480 3.530 0 50 EHAA C[C@H](NCc1ccc2nsnc2c1)c1ccn(-c2ccccc2)n1 2325856441 PSONOUOEFICGEV-ZDUSSCGKSA-N 335.436 3.728 0 50 EHAA CCC1(CC)CNC(=O)[C@@H]1NCc1ccc([C@@H](C)C(F)(F)F)cc1 1460823856 DPFXSSNGHDODBO-DOMZBBRYSA-N 342.405 3.747 0 50 EHAA O=C(NC[C@H]1CCCO1)c1ccc(CSc2ccccc2)cc1 39399 NLZZJVLUDVBARA-QGZVFWFLSA-N 327.449 3.888 0 50 EHAA Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)cc1 226866 BRZQPRHKSQMCSZ-NWDGAFQWSA-N 325.290 3.550 0 50 EHAA Cc1cccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1C 413880 NITPZKZOEUOWSI-UHFFFAOYSA-N 327.403 3.797 0 50 EHAA COc1ccc(Cl)cc1C(=O)Nc1nnc(CC(C)C)s1 473196 ZEGZHKJTHGJOPE-UHFFFAOYSA-N 325.821 3.651 0 50 EHAA Cc1ccc(SCCC(=O)NCc2ccc3c(c2)OCO3)cc1 610305 XUXIWDNMBXVHDJ-UHFFFAOYSA-N 329.421 3.522 0 50 EHAA CC(C)[C@H](N=c1[nH]oc(-c2ccccc2)c1C(=O)O)c1ccccn1 2356143111 VODMOYTUMLREEA-INIZCTEOSA-N 337.379 3.666 0 50 EHAA COc1ccccc1[C@@H]1C=C(c2ccc(Cl)cc2)N=C2NN=NN21 2592386 DUKALQZOCSFYNM-HNNXBMFYSA-N 339.786 3.988 0 50 EHAA O=S(=O)(c1ccc(Cl)cc1)C(F)(F)[C@@H](F)C(F)(F)F 2976807 GLEPXTGCHQRPDD-ZETCQYMHSA-N 326.645 3.607 0 50 EHAA COc1cc(C(=O)N2c3ccccc3CC[C@@H]2C)cc(OC)c1OC 4184011 HXWNBCBFXGJRCU-ZDUSSCGKSA-N 341.407 3.694 0 50 EHAA COc1ccc(C(F)(F)C(=O)Nc2cccc3cnccc23)cc1 225511432 JTIXCLMAQOOPEU-UHFFFAOYSA-N 328.318 3.974 0 50 EHAA Cc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1 100662851 OLHPZSBYPKOUOW-UHFFFAOYSA-N 348.402 3.522 0 50 EHAA CC(=O)Oc1c(C)cc(CN[C@H](C)c2nc3ccccc3[nH]2)cc1C 55369000 BPRNJKKNNROYNA-CQSZACIVSA-N 337.423 3.956 0 50 EHAA CC1=NN(c2ccccc2)C(=O)[C@@H]1c1cc(C)nn1-c1ccccc1 101356711 WYVQTSJWCZXENQ-IBGZPJMESA-N 330.391 3.687 0 50 EHAA CCCc1noc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)n1 20911979 NIBLNCBCHIOULF-CYBMUJFWSA-N 326.400 3.543 0 50 EHAA O=C(O)COc1ccc(NC(=O)[C@@H]2Cc3ccccc32)c2ccccc12 346028190 PUQYYOHCIMXRMC-QGZVFWFLSA-N 347.370 3.582 0 50 EHAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccc(Cl)c(F)c1)C2 67725630 GOMFSYCAFWTUKC-UHFFFAOYSA-N 333.794 3.723 0 50 EHAA Cc1cccc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 67446946 DSOGLQUXKXVDKR-PZJWPPBQSA-N 346.430 3.534 0 50 EHAA C[C@H](c1cnccn1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 248627496 QCNAYWGTQWLYAL-ZIAGYGMSSA-N 328.485 3.753 0 50 EHAA C[C@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@H]1c1ccccc1 121507552 DCFVIYJGLVPBHF-KBXCAEBGSA-N 347.422 3.707 0 50 EHAA C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cnc(C(F)(F)F)nc1 328587723 GEPMGZOCFXQNIM-JSGCOSHPSA-N 349.356 3.589 0 50 EHAA CC[C@]1(O)CCCN(Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 71715046 YTCHXBKXAFMTNI-IBGZPJMESA-N 348.418 3.535 0 50 EHAA Cc1cc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)ccn1 77519151 AJOCTLPDCNMBKH-HXUWFJFHSA-N 327.472 3.542 0 50 EHAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCC[C@@H]1c1ccccn1 72480847 IUCZHBIAMJVPHP-QGZVFWFLSA-N 332.407 3.757 0 50 EHAA Cc1ccc(F)cc1NC(=O)N1CCCC[C@H]1CCN1CCCC1=O 72168738 IYYIQDMEUFDSQG-INIZCTEOSA-N 347.434 3.533 0 50 EHAA CC(C)=CC(=O)NC[C@H]1CCCN(Cc2ccc(C)c(F)c2C)C1 71315705 LNIFZOVNFQNCNZ-QGZVFWFLSA-N 332.463 3.737 0 50 EHAA Brc1ccc(CN2CCC23CCOCC3)c2ncccc12 239352616 ACSOUWYLHKHWOS-UHFFFAOYSA-N 347.256 3.752 0 50 EHAA COCC[C@@H](NCc1nnc(C)o1)c1ccc(Cl)c(Cl)c1 284719754 JNELSMUHBFFTOW-CYBMUJFWSA-N 330.215 3.552 0 50 EHAA CCC[C@](C)(CO)NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 242106219 WHXZGVLEIIMLPG-HWWQOWPSSA-N 330.255 3.764 0 50 EHAA Cc1ccnc(SCc2csc(-c3ccc4c(c3)OCO4)n2)n1 17071686 YDXYOLNAQDDGFW-UHFFFAOYSA-N 343.433 3.930 0 50 EHAA CC(C)c1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 17072267 VTRMPDWERISCFL-CYBMUJFWSA-N 347.436 3.578 0 50 EHAA O=C(O)[C@@H]1CN([C@H]2CCc3c(Cl)cccc32)C[C@H]1C(F)(F)F 263575104 OKUKFCYGXDMBED-WZRBSPASSA-N 333.737 3.522 0 50 EHAA O=C(NCc1cccs1)N1CCCC[C@@H]1CCc1ccccn1 426423207 ZYLAZXIADWUDQS-MRXNPFEDSA-N 329.469 3.840 0 50 EHAA COc1cc(/C=C(\C)c2nc3sccc3c(=O)[nH]2)cc(Cl)c1O 179498429 DOMOYEFWCCHVFD-VMPITWQZSA-N 348.811 3.913 0 50 EHAA CSc1ncc(-c2nc(C3CC3)nn2Cc2ccc(F)cc2)cn1 96151507 LLJZJWOUSHLUBQ-UHFFFAOYSA-N 341.415 3.522 0 50 EHAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 95371247 HFNKNIOBSILUNZ-CQSZACIVSA-N 333.382 3.762 0 50 EHAA Cc1nscc1C(=O)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 182290510 VCHGETHCYGQDKK-UHFFFAOYSA-N 326.303 3.599 0 50 EHAA CCCN(Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)N(C)C[C@H]1C 248150558 TWTOFPRZEXCURK-SOLBZPMBSA-N 334.504 3.645 0 50 EHAA Oc1cc(C(F)F)nc(-c2ncc(C(F)(F)F)cc2Cl)n1 261494849 MDKAAAXZLPHZLW-UHFFFAOYSA-N 325.624 3.854 0 50 EHAA CC1=C(c2ccccc2)[C@H]1C(=O)Nc1ccccc1CN1CCOCC1 952971863 LOBWIRDPFZKXAF-NRFANRHFSA-N 348.446 3.561 0 50 EHAA CC(C)Oc1ccc(NC(=O)N2CCOC[C@@H]2C2CC2)c(Cl)c1 187247844 QEGLWCKUYXFJOY-MRXNPFEDSA-N 338.835 3.770 0 50 EHAA COc1ccc2c(c1)[C@H](N[C@@H](C)C[C@H](O)c1ccco1)CCS2 191527075 DUMWDXLEKLVEEM-MAZHCROVSA-N 333.453 3.927 0 50 EHAA C[C@H](C1CC1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)n1C 194117010 VDLCKWJXQFSAMT-MRXNPFEDSA-N 347.462 3.734 0 50 EHAA O[C@H]1CN(C2CCCCCCC2)CC[C@@H]1c1ccc2c(c1)OCO2 212723061 SWXQUGBZCXALCG-MSOLQXFVSA-N 331.456 3.678 0 50 EHAA Oc1cc(C2CCN(CCCOCc3ccccc3)CC2)ccn1 1772818903 AEQWFMJSZLIJRN-UHFFFAOYSA-N 326.440 3.574 0 50 EHAA CCNc1ncnc2sc(C(=O)N3CCCC[C@H]3CC)c(C)c12 12280916 DXBZIIXDXANJJS-GFCCVEGCSA-N 332.473 3.836 0 50 EHAA CCn1ccnc1CN1CCC[C@@H](CCc2cccc(OC)c2)C1 12438712 XUTAUUPKVXRRQN-SFHVURJKSA-N 327.472 3.756 0 50 EHAA Cc1cc(C)c(C(=O)N2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)o1 13595203 CKZKWDMBTMVRTP-ZDUSSCGKSA-N 347.361 3.910 0 50 EHAA Nc1ccc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 2544807 ABMSHGUHYVPGLO-UHFFFAOYSA-N 342.342 3.898 0 50 EHAA in-vitro CN(C)c1ncn(-c2cccc(NCc3cccc(Cl)c3)c2)n1 225836365 NSSXNYKWUZAWPB-UHFFFAOYSA-N 327.819 3.599 0 50 EHAA Cc1cc([C@@H]2CN(Cc3ccc4cn[nH]c4c3)CCO2)ccc1F 130447265 ORIADRHWVNELAA-IBGZPJMESA-N 325.387 3.584 0 50 EHAA CC(C)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)[nH]n1 126156243 BLOABIXSROMXEG-UHFFFAOYSA-N 340.257 3.702 0 50 EHAA CC(C)Cn1ncc(NC(=O)N[C@@H]2CCOC23CCCC3)c1C1CC1 931434180 OJOALJOHAUECFF-MRXNPFEDSA-N 346.475 3.640 0 50 EHAA CCN(Cc1cnn(-c2ccccc2F)c1)[C@@H]1CCOC(C)(C)C1 952846130 GJQWBFIEHVMNRB-MRXNPFEDSA-N 331.435 3.791 0 50 EHAA CCOc1ccc2oc(C(=O)N3CC[C@](C)(COC)C3)c(C)c2c1 1875265667 JZFZLRSQBWTPFT-IBGZPJMESA-N 331.412 3.639 0 50 EHAA Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@@]2(C(=O)O)CCC[C@H]12 1875268958 NVONUMQNOAWOAT-UGSOOPFHSA-N 348.468 3.579 0 50 EHAA Cc1cncc(CN2CC[C@H](NC(=O)CCC3CCCC3)C[C@@H]2C)c1 1875362317 ZYYCQBDWNAREPQ-PXNSSMCTSA-N 343.515 3.830 0 50 EHAA Cc1scc2c(O)nc(-c3nc(Br)cs3)nc12 1875353330 PDVOXQFTQRUAEV-UHFFFAOYSA-N 328.216 3.591 0 50 EHAA N[C@H](C(=O)NCC[C@H]1CCC(F)(F)C1)c1ccc2ccccc2c1 1875304867 YBZBTZZRLRCMCD-DYVFJYSZSA-N 332.394 3.781 0 50 EHAA CC(=O)N1CCC[C@H](c2nnc(C/C=C/c3cccc(F)c3)o2)[C@@H]1C 888103089 FYVRDZANKAKKRV-UHONWTQSSA-N 343.402 3.579 0 50 EHAA c1ccc(Oc2cccc(CN3CCC[C@@H](c4ncc[nH]4)C3)c2)nc1 891724870 IWCROBVLLBPAMQ-QGZVFWFLSA-N 334.423 3.977 0 50 EHAA COc1ccc2ccc(=N[C@H](CO)c3ccc(Cl)cc3)[nH]c2c1F 2325865867 STEFPMLAHAVDEN-CQSZACIVSA-N 346.789 3.603 0 50 EHAA N=c1[nH]c2c(NCC3CC(c4ccc(Cl)cc4)C3)ncnc2s1 2325873361 FDZDWICLYHVJTL-UHFFFAOYSA-N 345.859 3.758 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1 102349 JBCJJKXKLJJDRD-UHFFFAOYSA-N 340.242 3.867 0 50 EHAA NC(=O)c1cc(Oc2ccc(Br)cc2)nc2ccccc12 197770 WPDCZDJNPVPDTR-UHFFFAOYSA-N 343.180 3.889 0 50 EHAA COc1ccccc1NC(=O)Nc1nnc(-c2cccs2)s1 536449 OYKWARRHNXIYST-UHFFFAOYSA-N 332.410 3.919 0 50 EHAA S=C(NCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 609773 GJFWWVUPAXNSPW-UHFFFAOYSA-N 334.828 3.598 0 50 EHAA Cc1cc(Br)ccc1-n1c(C)nc2ccccc2c1=O 1848335 CIYGULLCDQXZNK-UHFFFAOYSA-N 329.197 3.765 0 50 EHAA in-vitro Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c(C)c1 4576132 YVZYRUSRCIMULM-UHFFFAOYSA-N 336.435 3.794 0 50 EHAA CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 4855889 NLRSSDALDLVWJM-LBPRGKRZSA-N 339.844 3.778 0 50 EHAA CCOc1ccc(C(=O)Nc2ccsc2C(=O)OC)c(OCC)c1 6726855 MWASAWXAUTXYEQ-UHFFFAOYSA-N 349.408 3.584 0 50 EHAA O=C(CCC(=O)N1CCC[C@H](c2ccccc2)CC1)NC1CCCC1 55061049 QXPXUCRYHFKPGK-SFHVURJKSA-N 342.483 3.622 0 50 EHAA CN1CCN(CCOc2ccc(Cl)cc2Cc2ccccc2)CC1 20639613 DZCCAWPARGYVRA-UHFFFAOYSA-N 344.886 3.557 0 50 EHAA CCCC(=O)Nc1ccc(CC(=O)NCc2cccc3[nH]ccc23)cc1 55099833 HFRGFCLOWJWSKZ-UHFFFAOYSA-N 349.434 3.765 0 50 EHAA CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1 117355920 WBCJCRHCNGJQOY-JKSUJKDBSA-N 348.443 3.749 0 50 EHAA CC(=O)N[C@H]1C[C@@H](c2cccc(-n3cccn3)c2)O[C@@H](C(C)(C)C)C1 65534010 NFRLFYDRZXZZKE-YTQUADARSA-N 341.455 3.643 0 50 EHAA CC(C)c1nc(CCc2cccnc2)n(-c2cc(F)ccc2F)n1 65433045 ZZGXGAFPWDWBPV-UHFFFAOYSA-N 328.366 3.849 0 50 EHAA O=C(Nc1cccc2c1C(=O)NC2)c1ccc(-c2ccccc2F)o1 119447342 JCDBOYUDWILNAL-UHFFFAOYSA-N 336.322 3.581 0 50 EHAA COc1ccc(OC)c([C@H]2CCN(C(=O)CCc3ccsc3)C2)c1 77459318 IENBJBWOQYYEKC-HNNXBMFYSA-N 345.464 3.714 0 50 EHAA O=C(N1CC2(CCOCC2)[C@@H]1C1CC1)C1(c2cccc(F)c2)CCC1 359122208 NDKSAMNTUROCCQ-SFHVURJKSA-N 343.442 3.665 0 50 EHAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc2ccccc2n1C 72457665 XLLWHAWPQGNUFR-UHFFFAOYSA-N 344.418 3.636 0 50 EHAA Cc1nc(C(C)C)nc(C)c1OCc1nc(-c2cccs2)no1 72166877 VUDNKYVIDSNTPP-UHFFFAOYSA-N 330.413 3.907 0 50 EHAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@H]2c2nccs2)cc1 72433560 KJWBRKQHLWUENN-INIZCTEOSA-N 344.480 3.824 0 50 EHAA O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc2c(n1)CCCC2 333068714 JVTQFBYRZDRQKU-INIZCTEOSA-N 328.456 3.572 0 50 EHAA CCC(CC)c1cc(CNC(=O)[C@H](C)N2CCc3ccccc32)on1 174040109 JIZVMACNUOBGKJ-AWEZNQCLSA-N 341.455 3.646 0 50 EHAA Cc1nnc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)s1 71750874 VSSSDSRVJMPMDJ-ZDUSSCGKSA-N 344.267 3.727 0 50 EHAA O=C(N1CCC[C@@H](c2nccn2CC2CC2)C1)C1(c2ccccc2)CC1 82120481 DFHPJCABBPTYQS-GOSISDBHSA-N 349.478 3.731 0 50 EHAA CC(C)c1cc(C(=O)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2O)no1 82121954 ZDCJIBZJVCPGAL-QZTJIDSGSA-N 342.439 3.744 0 50 EHAA CC[C@H](C)c1ccccc1OCC(=O)N(C)Cc1c(C)noc1C 47644327 JGZYNKXBHBQYGN-ZDUSSCGKSA-N 330.428 3.842 0 50 EHAA CN1CCC[C@@H]1c1ccc(C(=O)N2CCc3ccccc3C2)s1 20784705 KHCKBYRTWIINSU-MRXNPFEDSA-N 326.465 3.713 0 50 EHAA c1cc(-c2ccn(CCN3CCOCC3)n2)cc(-c2cccs2)c1 20995888 FIIXMOQLJHXREF-UHFFFAOYSA-N 339.464 3.611 0 50 EHAA Cc1nc2ccc(C(=O)N(C)Cc3cc(C(C)C)on3)cc2nc1C 95359643 JEPBJGGEXRACFL-UHFFFAOYSA-N 338.411 3.630 0 50 EHAA CN1C[C@@H](c2ccccc2)CC2(CCN(Cc3ccncc3)CC2)C1 91624979 SSVUMOKJOUVBTF-NRFANRHFSA-N 335.495 3.783 0 50 EHAA CC[C@@H]1C[C@@H](CC(=O)N=c2ccc3cccc(Cl)c3[nH]2)CCO1 332436258 GTNQOTLXFMNFDX-GXTWGEPZSA-N 332.831 3.844 0 50 EHAA Cc1cnc(Cn2cc(-c3cnc(-c4ccccc4C)s3)nn2)cn1 91998175 JRTSCGFXQUKXJN-UHFFFAOYSA-N 348.435 3.524 0 50 EHAA CCc1ccc([C@@H]2COCCN2C(=O)c2cccn2C2CCCC2)o1 182056511 OTCRGNWUPULKKV-SFHVURJKSA-N 342.439 3.972 0 50 EHAA c1ccc([C@@]23[C@H]4[C@H]5[C@@H]6[C@@H]7[C@@H]8[C@H]9[C@H]%10[C@H]%11[C@@H]([C@H]%12[C@H]%10[C@H]([C@H]96)[C@H]5[C@H]%122)[C@H]3[C@H]([C@@H]74)[C@H]8%11)cc1 257355616 BSQJORIBNGKJAD-VJMUGBHQSA-N 336.478 3.782 0 50 EHAA COc1ccc(Oc2ccc(NC(=O)N(C)CCN(C)C)cc2)cc1 299800993 XLTWGKMLLMVDLL-UHFFFAOYSA-N 343.427 3.513 0 50 EHAA C[C@H](CCN(C)C(=O)NC1(c2ccccc2Cl)CC1)N1CCCC1 584899155 HKZIWAIUHVZTFY-OAHLLOKOSA-N 349.906 3.845 0 50 EHAA c1ccc2oc([C@@H]3CCCN(C4CSCCSC4)C3)nc2c1 670465977 BZHIKALLQQEBEP-CYBMUJFWSA-N 334.510 3.856 0 50 EHAA Cc1ccc(C)c2c(C)c(C(=O)N3CCCC[C@H]3CC(=O)O)oc12 170071373 LCYOOHRKIRUXPD-AWEZNQCLSA-N 329.396 3.827 0 50 EHAA CC(C)[C@@H](c1ccccc1)c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 278087179 OIXXQJGRSOWKKB-KURKYZTESA-N 341.455 3.783 0 50 EHAA CCC1=C(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CCCO1 188057993 URUCFKQSIDFRGD-UHFFFAOYSA-N 348.406 3.834 0 50 EHAA CN(C)[C@H]1C[C@@H](CNC(=O)N2CCc3c(-c4ccccc4)cccc32)C1 654662639 WXDDJFWBYIVKAL-MAEOIBBWSA-N 349.478 3.766 0 50 EHAA C[C@@H](NC1CCN(c2ccccn2)CC1)c1ccc(C(F)F)nc1 657835768 HSBPWMHFOQTPSF-CYBMUJFWSA-N 332.398 3.734 0 50 EHAA C[C@H](C[C@H]1CCOC1)Nc1nc(-c2cccnc2)nc2ccccc12 759700286 NNNPOEPTWIRVMM-HUUCEWRRSA-N 334.423 3.919 0 50 EHAA Cc1ccccc1-c1ncc(CN2CCC[C@@]3(CCC[C@H]3O)C2)cn1 1704332485 XSRDHXRCEYDTBS-CTNGQTDRSA-N 337.467 3.579 0 50 EHAA O=C(N[C@H]1CCCN(C2CCCCCC2)C1)c1c(F)cccc1F 11879662 IDMPOWYRPFJRSO-AWEZNQCLSA-N 336.426 3.882 0 50 EHAA Cc1ccsc1-c1nc([C@@H]2CC(=O)N(C3CCCCC3)C2)no1 169762156 QZBNNYFSGUVUTH-GFCCVEGCSA-N 331.441 3.755 0 50 EHAA COc1ccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cc1O 1857686733 FNMOOLSLLZEVKZ-DLBZAZTESA-N 341.455 3.529 0 50 EHAA CCCC[C@@H]1CN(C(=O)CCCCc2cccnc2)C[C@H](C2CC2)O1 1857722278 FSNKZMNBHLUKTK-WOJBJXKFSA-N 344.499 3.991 0 50 EHAA CC[C@@H](NCc1ccnc(N)c1)c1cc(F)cc(Br)c1 225617017 SUJWYMZVMNGFAB-CQSZACIVSA-N 338.224 3.806 0 50 EHAA CCCCc1nc(CN(C)C(C)(C)c2ccc3c(c2)OCO3)no1 124202780 SZUMOTSYBUSXOX-UHFFFAOYSA-N 331.416 3.508 0 50 EHAA Cc1cc(CC(=O)NCC2(c3ccccc3)CCCCCC2)n[nH]1 151077503 CBQXCLLCKBGXSO-UHFFFAOYSA-N 325.456 3.669 0 50 EHAA CCn1ncc(NC(=O)Nc2c(C)noc2C(C)C)c1C(F)(F)F 931261710 AEELPKPYHVKVCA-UHFFFAOYSA-N 345.325 3.986 0 50 EHAA c1ccc(-c2nc(NCC[C@H]3CCCO3)c3ccsc3n2)nc1 858338543 XRZFWRHDAILSTA-GFCCVEGCSA-N 326.425 3.734 0 50 EHAA c1ccc(-c2nc(N[C@H]3C[C@H]4CC[C@H]3NC4)nc3ccccc23)cc1 1875327648 DDJYBSKCJRPOPD-ZMYBRWDISA-N 330.435 3.849 0 50 EHAA O=C(C[C@H]1COc2ccccc2O1)Nc1ccc(Br)cc1 376844 WHBWIBVYRDYHOV-ZDUSSCGKSA-N 348.196 3.618 0 50 EHAA Cc1ccc(OCc2ccc(C(=O)OCCCc3cn[nH]c3)o2)cc1 2325717492 NXFRTTUNCQLJKI-UHFFFAOYSA-N 340.379 3.680 0 50 EHAA CCSc1cncc(NCCCOCc2ccc(OC)cc2)n1 2325725848 OTGBNOJBDZCGLL-UHFFFAOYSA-N 333.457 3.616 0 50 EHAA O[C@@H]([C@H]1CCCN(c2ccc3c(F)ccc(F)c3n2)C1)C(F)(F)F 2325789489 SUPKTQVIGPALMA-VFZGTOFNSA-N 346.299 3.653 0 50 EHAA CCC(C)(C)CC(=O)NCC[C@H](C)NC(=O)c1ccc(C(C)C)cn1 2325792986 AWAUSYBTKNIJLB-HNNXBMFYSA-N 347.503 3.656 0 50 EHAA O[C@@]1(c2ccccc2F)CCN([C@@H]2CCc3c(F)cc(F)cc32)C1 2325828023 WSDDWEDCVDHYST-MOPGFXCFSA-N 333.353 3.685 0 50 EHAA O=C(Nc1cnccn1)[C@@H](CC(F)(F)F)c1cccc(Cl)c1 2325849798 ATMIHHABMXVMBH-NSHDSACASA-N 329.709 3.805 0 50 EHAA CC(C)c1ccc2ncnc(N(CCN(C)C)Cc3ccco3)c2c1 1458239181 MGDDHBZCNDZBNO-UHFFFAOYSA-N 338.455 3.914 0 50 EHAA COc1cc(CNC(C)(C)CO)ccc1OCc1ccc(Cl)cc1 359882 FWKGDPPEGWNHQU-UHFFFAOYSA-N 349.858 3.788 0 50 EHAA CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2OC)cc1 2052342 GFIMQHHTSYJJDZ-UHFFFAOYSA-N 344.436 3.611 0 50 EHAA O=C(COc1ccc(Br)cc1)NCCCc1ccccc1 2822143 LJVFMSJBAYKPMD-UHFFFAOYSA-N 348.240 3.577 0 50 EHAA O=S(=O)(NCCSCc1ccc(Cl)cc1)c1ccccc1 2983595 FQAPYHCBHPRWES-UHFFFAOYSA-N 341.885 3.552 0 50 EHAA CC1(C)CC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC(C)(C)N1 4977816 GBNFAYJFSCSVOT-UHFFFAOYSA-N 333.520 3.564 0 50 EHAA COc1cc(CN2CCCC[C@H]2c2cccnc2)cc(OC)c1OC 4982697 NTDRGWTXPLNWEF-KRWDZBQOSA-N 342.439 3.835 0 50 EHAA Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(C)cc3C)n2)c1 6697214 NHAHULQRECBIFB-UHFFFAOYSA-N 335.407 3.934 0 50 EHAA O=C(NCCc1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 8190969 IKLQRLIXYUWJRM-UHFFFAOYSA-N 334.375 3.504 0 50 EHAA CC(=O)NCc1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)cc1 225592380 FFRQRMNAJVOCKE-UHFFFAOYSA-N 332.363 3.521 0 50 EHAA CCCOC[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3nc2C)C1 55109345 QSYPBMLIHCXJGH-MRXNPFEDSA-N 326.440 3.740 0 50 EHAA Cc1cccnc1C[C@@H](C)NC(=O)c1c(-c2ccccc2)noc1C 67878934 VDYKJTDIDAVCJR-CQSZACIVSA-N 335.407 3.714 0 50 EHAA CCN(Cc1ccccc1)C(=O)c1cc(COc2ccccc2)[nH]n1 67983281 OGXFZLRGYUZJLP-UHFFFAOYSA-N 335.407 3.651 0 50 EHAA O=C1C[C@H](c2nc(-c3cccs3)c[nH]2)CN1c1cccc(F)c1 23153505 MXHHXMBMHGLNOG-NSHDSACASA-N 327.384 3.798 0 50 EHAA O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccncc1Br 280670546 LLTNSMIXQKLYMW-AULYBMBSSA-N 349.203 3.659 0 50 EHAA Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)no1 33269840 PFJLLHYTCONDSX-MRXNPFEDSA-N 337.379 3.924 0 50 EHAA CCc1ccc([C@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)s1 229956261 GSJLIUJTOLBUPC-GJZGRUSLSA-N 345.512 3.781 0 50 EHAA CCc1ccc(OCC(=O)Nc2sc(CC)cc2C(=O)OC)cc1 8200999 JONKEYABFAURPC-UHFFFAOYSA-N 347.436 3.677 0 50 EHAA Cc1cccc(N2CCC(N[C@@H]3CCCOc4ccccc43)CC2)n1 375523016 JPBRIRONHUKTJU-LJQANCHMSA-N 337.467 3.862 0 50 EHAA Cc1ccc(-c2cc(CN3CCCC[C@H]3CCN(C)C)on2)cc1 72169743 YOWYUTSSZJNWBQ-SFHVURJKSA-N 327.472 3.956 0 50 EHAA CO[C@@H]1C[C@]23CC(C)(C)C[C@H]2CC(I)=C3CO1 71786066 CUJLMRZPEODQTD-LQJRIPTKSA-N 348.224 3.895 0 50 EHAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cnc(C)s3)C2)cc1 77419292 IBMJDGAYUJEUFF-OAHLLOKOSA-N 330.453 3.691 0 50 EHAA Oc1ccc(C[C@H](c2ccccc2)c2nc(-c3cccnn3)no2)cc1 82096903 DODUGXSZITWRMF-QGZVFWFLSA-N 344.374 3.607 0 50 EHAA Cc1cc(C(F)(F)F)ccc1CNc1cncc(-c2nncn2C)c1 191046869 YFELLISOWNQOJP-UHFFFAOYSA-N 347.344 3.816 0 50 EHAA COc1cccc2[nH]cc(CC(=O)N3CCc4c(F)cc(F)cc43)c12 180763223 XHRLHVBAYLHQAM-UHFFFAOYSA-N 342.345 3.587 0 50 EHAA CC(C)Cc1cc(C(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)on1 91321247 IZSWJMCCGBFXDC-UHFFFAOYSA-N 329.375 3.766 0 50 EHAA Cc1cc(Cl)cc2c(N3CCC[C@@H](CCC(N)=O)C3)ccnc12 96147838 RYUDNXUBUQPJLI-ZDUSSCGKSA-N 331.847 3.679 0 50 EHAA CN(C)Cc1csc(CN2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1 95385994 GDAHNOZPUYEENF-PKOBYXMFSA-N 347.572 3.506 0 50 EHAA Cc1ccnc(OC2CCN(C(=O)[C@H]3CCCCC3(F)F)CC2)c1 295633207 CHXXHCVXAWYQTR-OAHLLOKOSA-N 338.398 3.585 0 50 EHAA COc1ccc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)cc1 243932516 BWSBEPRSVTVIBO-LEWJYISDSA-N 328.500 3.924 0 50 EHAA CC(=O)[C@]12O[C@H]1C[C@@H]1[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253498117 MSGQPOBWYUXEOQ-XLVUHOLYSA-N 332.484 3.727 0 50 EHAA Cc1cccc([C@H](NC(=O)CCc2ccc(O)cc2)c2ccccn2)c1 184094325 NOHNDGNGUWBXSQ-QFIPXVFZSA-N 346.430 3.934 0 50 EHAA Cc1ccc(CN(C(=O)CN2CCC[C@@]3(CC=CCC3)C2)C2CC2)o1 170626893 JFLGOGLKSFFKNU-NRFANRHFSA-N 342.483 3.901 0 50 EHAA CCc1ccc(C(=O)Nc2ccccc2C(=O)N(CC)CC)c(C)n1 185725871 NDKVNEDLBGLDPO-UHFFFAOYSA-N 339.439 3.687 0 50 EHAA Cc1cc(F)c(C(=O)Nc2ccc(C[C@@H](C)C(=O)O)cc2)cc1F 191410277 VLQCUJXTMIORAM-LLVKDONJSA-N 333.334 3.789 0 50 EHAA CCc1onc(C)c1NC(=O)N[C@@H](Cc1ccccc1)c1ncco1 654024367 SHBPNFXQYBXABS-AWEZNQCLSA-N 340.383 3.639 0 50 EHAA Cc1ccc(NC(C)(C)C(=O)N(C)CC[C@H](O)c2ccccc2)cc1 1506415991 RVHVZSPUXJGJOH-IBGZPJMESA-N 340.467 3.768 0 50 EHAA O=C(c1cccc2ccccc12)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 212896089 ODILAHFOEUVHAH-HKUYNNGSSA-N 334.463 3.786 0 50 EHAA Cc1ccc(NC2(C(=O)N3CCC[C@@H]3C3(O)CC3)CCCCC2)cc1 1772806595 BTWMJZQTUKQQQA-GOSISDBHSA-N 342.483 3.626 0 50 EHAA C[C@H](O)c1nc2ccccc2n1Cc1ccc(Br)cc1 12383968 ITVCUWAUKOUKKK-NSHDSACASA-N 331.213 3.900 0 50 EHAA CCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(C(C)C)cc3)C2=O)C1 15074048 UCDYYSPWLJQWOZ-NRFANRHFSA-N 342.483 3.561 0 50 EHAA CC[C@@H]1CCc2sc(C(=O)NC3CCN(C(C)C)CC3)cc2C1 16602586 DSSXMAATKCAIHF-CQSZACIVSA-N 334.529 3.866 0 50 EHAA O=C(O)c1ccc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cc1 1857694879 KYNFNYGLDCNZEJ-ZWKOTPCHSA-N 339.439 3.513 0 50 EHAA C[C@@H](NC(=O)N[C@H]1C[C@H](c2ccccc2)C1)c1nc(C(C)(C)C)no1 366751230 XXLXIQLGUPEQLS-BPLDGKMQSA-N 342.443 3.674 0 50 EHAA O=C(O)c1ccc(C(=O)Nc2ccc(C3CCOCC3)cc2F)cc1 1875287104 VKQQCPPSGMMWSO-UHFFFAOYSA-N 343.354 3.670 0 50 EHAA CC(=O)Nc1cccc(OCCNc2ccc(C(F)(F)F)nc2)c1 892334258 JLCUUHDSCRLWGI-UHFFFAOYSA-N 339.317 3.550 0 50 EHAA O=C(c1cc2c(s1)CCCC2)N1CCN(Cc2ccccc2)CC1 19770919 SUKLIHZZLBYIQR-UHFFFAOYSA-N 340.492 3.585 0 50 EHAA Cc1cccc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c1C 4193139 VNZFBHZWTJAXIE-UHFFFAOYSA-N 343.471 3.962 0 50 EHAA C[C@@H](NCC(=O)N(C)Cc1ccco1)c1csc2ccccc12 839551407 CYOYDHWKNBHHQL-CYBMUJFWSA-N 328.437 3.804 0 50 EHAA Cc1cc(NC2CCN(Cc3cc4ccccc4nc3C)CC2)ncn1 2325803824 DROMTSODAZLROI-UHFFFAOYSA-N 347.466 3.718 0 50 EHAA Cc1ccc([C@H](CN(C)C)NC(=O)c2cnc3ccsc3c2)cc1 2325855672 KPOYTGJVDZUZGV-KRWDZBQOSA-N 339.464 3.637 0 50 EHAA O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1 1567 JXZZEXZZKAWDSP-UHFFFAOYSA-N 347.462 3.605 0 50 EHAA world Cc1cc(C)c(C(=O)CSc2nc(-c3ccco3)n[nH]2)c(C)c1 455769 LWWOMKLXGRPDMY-UHFFFAOYSA-N 327.409 3.965 0 50 EHAA Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1C 617958 RVRCSAPRTLGEEY-UHFFFAOYSA-N 328.843 3.919 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cccc2ccccc12 2572728 JXDXPRAUFACOHG-OAHLLOKOSA-N 329.396 3.750 0 50 EHAA Cn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 2721474 CECPUKGRDCSCDY-UHFFFAOYSA-N 327.815 3.589 0 50 EHAA CCCCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1 2905216 HGWSFJFLMCAGJC-UHFFFAOYSA-N 344.436 3.761 0 50 EHAA CN1CCN(c2ccc3c4c(cccc24)C(=O)c2ccccc2-3)CC1 3880365 SCAQXWAGKPYMNC-UHFFFAOYSA-N 328.415 3.803 0 50 EHAA CCCOc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Cl 6744432 WEUWZYGTTMKDRP-CHWSQXEVSA-N 345.892 3.795 0 50 EHAA CCc1cc(Br)ccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101698459 RWPJEXGSIKSLJT-LWWSYDQCSA-N 348.240 3.547 0 50 EHAA COc1ccc(F)cc1S(=O)(=O)Nc1cccc2ccccc12 10301877 MUICNJILZMJBQR-UHFFFAOYSA-N 331.368 3.788 0 50 EHAA Fc1ccc(-n2nnnc2CSc2nc3ccccc3s2)cc1 9341570 GOQFOAJZYODSMV-UHFFFAOYSA-N 343.412 3.703 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)Cc2cccc(Cn3cccn3)c2)c1 55370078 PKYOEKGRGZAGLR-SFHVURJKSA-N 334.467 3.698 0 50 EHAA Cc1ccc(-c2cccc(N3CCC(NCCCCO)CC3)c2)cc1 55119691 IPKHDPVXIJAOQZ-UHFFFAOYSA-N 338.495 3.993 0 50 EHAA O=C(c1ccnc(-c2cccc(-c3cc[nH]n3)c2)c1)N1CCCCC1 20232732 FOSYNQUYNAIZQS-UHFFFAOYSA-N 332.407 3.765 0 50 EHAA CCC(CC)n1nc(C)cc1NC(=O)c1sccc1NC(C)=O 65396077 SZFBYNKEJPRLAK-UHFFFAOYSA-N 334.445 3.825 0 50 EHAA Cc1cccc(C(=O)Nc2ncn(Cc3ccccc3Cl)n2)c1 2800714 HHYGBIYRHLPELW-UHFFFAOYSA-N 326.787 3.541 0 50 EHAA COc1cccc(C(=O)N[C@H](CC(=O)O)c2ccc(C(C)C)cc2)c1 4089477 OBBKXDRLZIHHQZ-GOSISDBHSA-N 341.407 3.764 0 50 EHAA Cn1c(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)nc2ccccc21 6025456 UDJATMXEQPFERC-UONOGXRCSA-N 325.799 3.969 0 50 EHAA COC(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 71662974 BKRRESGQEXEVSC-UHFFFAOYSA-N 348.402 3.979 0 50 EHAA O=C1OCC2=C1[C@@H](c1ccccc1Cl)CC(=O)N2c1ccccc1 35142778 BLWLVSKTCUJMGN-CQSZACIVSA-N 339.778 3.671 0 50 EHAA Cc1cc(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)c(C)o1 11880016 WKCVNNHWTLRFLI-IBGZPJMESA-N 340.467 3.676 0 50 EHAA COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C(C)C)c(OC)c1OC 71281160 BURAKFCSEDQKEZ-LBPRGKRZSA-N 345.399 3.613 0 50 EHAA O=C(C1CC1)N1CCC[C@H](Cn2ccnc2-c2ccc3occc3c2)C1 71746461 AFBXFXUQUFMMSS-OAHLLOKOSA-N 349.434 3.945 0 50 EHAA Cc1cccc(-c2ncc(CN3CCC(c4nccn4C)CC3)cn2)c1 215543585 XBWWKOOSAKSALT-UHFFFAOYSA-N 347.466 3.565 0 50 EHAA Cc1nccc(-c2ccccc2)c1C(=O)N1Cc2ccccc2[C@@H](O)C1 82098496 MWWBAMMTRHTXEP-FQEVSTJZSA-N 344.414 3.746 0 50 EHAA O=C(CC[C@@H]1CCCOC1)N(c1cccc(F)c1)C1CCOCC1 180980119 RCHPZUKLALWNNN-HNNXBMFYSA-N 335.419 3.545 0 50 EHAA Cc1cc(C)c2[nH]c(C(=O)N3CC(N4CCCC[C@@H]4C)C3)c(C)c2c1 91526798 QDIDDJRPXVPRED-HNNXBMFYSA-N 339.483 3.792 0 50 EHAA Cc1ccc(C)c2c(C)c(C(=O)N(C)Cc3nncn3C(C)C)oc12 292540650 LKPSNFJSBBJHIZ-UHFFFAOYSA-N 340.427 3.803 0 50 EHAA CCc1nc2ccccc2n1[C@H](CC)C(=O)N1CC(c2cccnc2)C1 91942951 BHDAZAUFLSVLSI-GOSISDBHSA-N 348.450 3.571 0 50 EHAA Cc1csc([C@H](C)N(C)C(=O)c2cccc(Cn3cccn3)c2)n1 96131931 IFTHQRXRIPGCDJ-AWEZNQCLSA-N 340.452 3.530 0 50 EHAA COc1ccccc1NC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 96163334 CAVPMSRZDRRRJC-IEBWSBKVSA-N 340.423 3.955 0 50 EHAA CCN(Cc1nc(C)no1)C(=O)c1cc(Cl)c(C)c(Cl)c1 95357717 HJGVGFUZPNQDDD-UHFFFAOYSA-N 328.199 3.656 0 50 EHAA O=C(c1cccc2ccccc12)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 91616757 ODILAHFOEUVHAH-IEBWSBKVSA-N 334.463 3.786 0 50 EHAA CN(Cc1ccc2nsnc2c1)C(=O)C1(c2ccc(F)cc2)CC1 91586320 FHPNVNSVGHTELF-UHFFFAOYSA-N 341.411 3.521 0 50 EHAA CCCOC[C@@H]1CCN(C(=O)c2[nH]c3c(C)ccc(C)c3c2C)C1 91604545 WWNUBYCTARAOMX-MRXNPFEDSA-N 328.456 3.982 0 50 EHAA CC(C)c1nccn1[C@@H](C)C(=O)NCc1ccc2c(c1)CC(C)(C)O2 299784779 IMMVZMWWTFVORL-AWEZNQCLSA-N 341.455 3.597 0 50 EHAA Cc1nc([C@H](C)NC(=O)Cn2ccnc2-c2ccccc2)c(C)s1 828000902 LHXOOTRIQHGPBW-LBPRGKRZSA-N 340.452 3.501 0 50 EHAA Cc1oc(C(C)(C)C)cc1CNc1cccnc1N1CCC(O)CC1 1334200254 MEGZNGGLZUPOSS-UHFFFAOYSA-N 343.471 3.854 0 50 EHAA O=C(N=c1cc(-c2ccccc2F)o[nH]1)N1C[C@@H]2CCCC[C@H]2C1 408393470 FWRSNUDSDMMHBR-STQMWFEESA-N 329.375 3.557 0 50 EHAA C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1nccs1 411138241 DHUDDAHOJYFGPY-VIFPVBQESA-N 330.331 3.859 0 50 EHAA CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc2c(c1)CCC2 276820107 IBJFJSXISYNQIA-HKUYNNGSSA-N 339.439 3.669 0 50 EHAA Cc1coc2ccc(NC(=O)N3CCO[C@@H](c4nccs4)C3)cc12 187985355 YVZWJRILOBVSHY-OAHLLOKOSA-N 343.408 3.803 0 50 EHAA Cc1c(NC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)cccc1N(C)C 189461743 JKUYWBFELQDYFJ-PBHICJAKSA-N 333.476 3.634 0 50 EHAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(C=O)cc3)C2)cc1C 12205613 OVERFAXYHIEMTJ-HXUWFJFHSA-N 336.435 3.833 0 50 EHAA C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)OCO2 12383732 MNKZVIMERAPBOU-SNVBAGLBSA-N 335.762 3.628 0 50 EHAA O=C(C[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ncc[nH]1 12447595 PDZHDVBQORINCM-QGZVFWFLSA-N 339.826 3.902 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 16648032 DUSYIGOGALDFBG-UHFFFAOYSA-N 336.863 3.872 0 50 EHAA c1ccc(CN2CCC[C@@H](NCc3ccc4ccccc4c3)C2)nc1 19733096 HWQPJRCEMTXHCT-JOCHJYFZSA-N 331.463 3.989 0 50 EHAA Cc1ccc(F)c(-c2nccn2[C@H](CO)c2ccc(F)cc2)c1F 1875242779 BAJKROJQGJIAJH-OAHLLOKOSA-N 332.325 3.858 0 50 EHAA CCCCOc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1 1779280 YYXBPLIHWHABQQ-AWNIVKPZSA-N 338.407 3.616 0 50 EHAA O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2cc(-c3ccco3)on2)C1 121401544 KDIXDSUCPOUDCP-CZUORRHYSA-N 346.333 3.521 0 50 EHAA CCc1onc(C)c1CNC(=O)Nc1cc(C)n(C2CCCCC2)n1 931493692 WVEIBWHTQUYGDP-UHFFFAOYSA-N 345.447 3.877 0 50 EHAA COC(=O)[C@H]1C[N@]1C(c1ccccc1)(c1ccccc1)c1ccccc1 1857522904 QGSITPKXYQEFIR-QPPBQGQZSA-N 343.426 3.836 0 50 EHAA Cn1ncc(NC(=O)NC2(c3cccc(Cl)c3)CC2)c1Cl 874435416 RXTSSSLTJARDGZ-UHFFFAOYSA-N 325.199 3.538 0 50 EHAA CCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(OC)c1 2985595 BXINRAIGATXEMP-UHFFFAOYSA-N 341.816 3.548 0 50 EHAA Fc1ccc(-n2c(S)nnc2-c2ccc3c(c2)OCO3)cc1Cl 5804457 IGZOLLJZGUWMHI-UHFFFAOYSA-N 349.774 3.744 0 50 EHAA CC(C)c1ccc2cc(-c3nc(C(C)(C)S(C)(=O)=O)no3)[nH]c2c1 2325774400 ZIQSKQBVENQBLH-UHFFFAOYSA-N 347.440 3.621 0 50 EHAA Fc1ccc(Cn2cc(-c3ccc([C@H]4CCCN4)cc3)nn2)c(F)c1 2325792522 MQGXHGGHEVGCTJ-GOSISDBHSA-N 340.377 3.696 0 50 EHAA C[C@H](c1ccncc1)N1CCC(Nc2ccnc3cc(O)ccc23)CC1 2325802171 NITWQZQCLUNNRO-OAHLLOKOSA-N 348.450 3.973 0 50 EHAA O=C(Nc1ccccc1F)c1ccn(C(=O)c2cccc(Cl)c2)n1 104604 UXCXLKBAHLAWQF-UHFFFAOYSA-N 343.745 3.616 0 50 EHAA CCOC(=O)c1[nH]c(Cc2[nH]c(C(=O)OCC)c(C)c2C)c(C)c1C 132462 OKJWYTQBIRWUFJ-UHFFFAOYSA-N 346.427 3.521 0 50 EHAA biogenic CC(=O)Nc1ccccc1NC(=O)COc1ccc2ccccc2c1 443028 HVYFXBNGECEZDS-UHFFFAOYSA-N 334.375 3.816 0 50 EHAA Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 609762 YEWMOCUANBHQPU-CQSZACIVSA-N 342.826 3.948 0 50 EHAA Cc1cccc(NC(=S)NNC(=S)Nc2ccc(C)c(C)c2)c1 611021 GQYZFCZLTLSVBL-UHFFFAOYSA-N 344.509 3.800 0 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O=C(c1ccc2occc2c1)N1CCC([C@@H](O)Cc2ccccc2)CC1 77504873 SSDXTHYSWZWLHX-FQEVSTJZSA-N 349.430 3.889 0 50 EHAA O=C(NCCc1cc2ccccc2[nH]1)N1CCC(c2ccncc2)CC1 190595058 YDWRFMLSBCCURI-UHFFFAOYSA-N 348.450 3.695 0 50 EHAA COc1ccc(C(=O)N2CCc3cnccc32)c(OC2CCCC2)c1 225634487 FWTDZONYYBYELF-UHFFFAOYSA-N 338.407 3.615 0 50 EHAA CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)[C@@H]1[C@H]2CCC[C@H]21 246291029 IJKZTOMXDPIYTE-PJXYFTJBSA-N 343.254 3.708 0 50 EHAA CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@H]2c2cccn2C)c1C 248157389 WCFKXMADLVLUML-PBHICJAKSA-N 341.455 3.581 0 50 EHAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCc2sccc2[C@H]1C 252679136 IIXJVSFTDRYDJP-FMKPAKJESA-N 336.501 3.972 0 50 EHAA C[C@H](NC(=O)c1cnc(O)c2ccccc12)c1ccc(F)cc1F 253536890 LYHNPYXSVZNVDR-JTQLQIEISA-N 328.318 3.710 0 50 EHAA FC(F)(F)c1ccc(Cl)c(CNCc2nc(C3CC3)n[nH]2)c1 294879140 VLHWUFHUOGFFJH-UHFFFAOYSA-N 330.741 3.644 0 50 EHAA CCc1onc(C)c1C(=O)N(C)C[C@@H]1CCCc2sc(C)nc21 328623123 IWTNYWOJAZCVTI-LBPRGKRZSA-N 333.457 3.502 0 50 EHAA 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C[C@@H](CCCO)N(Cc1ccccc1F)C[C@@H]1CCOC(C)(C)C1 2325771961 GHSHYMQGZZZRMS-DLBZAZTESA-N 337.479 3.994 0 50 EHAA O=S(=O)(Nc1ccsc1-c1ccc(Cl)cc1)c1ncc[nH]1 2325824242 VUEKSTZOVYCWSE-UHFFFAOYSA-N 339.829 3.592 0 50 EHAA O[C@@H]1CN(CCCCOc2ccccc2)CC[C@@H]1c1ccccc1 2356165186 XOXQOBJDVXKYCK-NHCUHLMSSA-N 325.452 3.696 0 50 EHAA COc1ccc2c(c1)C1=NN(C(C)=O)[C@H](c3ccc(F)cc3)[C@@H]1CC2 193209 NZVASBWFMHOING-YLJYHZDGSA-N 338.382 3.704 0 50 EHAA Cc1cc(-c2ccccc2)nc2cc(C(=O)NCc3ccccc3)nn12 197089 CUBBFJHMRXGQFJ-UHFFFAOYSA-N 342.402 3.635 0 50 EHAA Cc1ccc(OCc2nc(-c3ccncc3)no2)c(Br)c1 319828 PFOWITIXNZSTKM-UHFFFAOYSA-N 346.184 3.782 0 50 EHAA CC1CCN(c2ccc3nnc(-c4ccc(Cl)cc4)n3n2)CC1 453139 UDYXFECAMFMTJK-UHFFFAOYSA-N 327.819 3.681 0 50 EHAA O=C(Cn1c(=O)oc2ccccc21)Nc1cc(Cl)ccc1Cl 617212 SVCCNAMTTYBAQR-UHFFFAOYSA-N 337.162 3.540 0 50 EHAA CCOc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1 4204318 MIAKQYHWLJJVKX-MSOLQXFVSA-N 349.438 3.714 0 50 EHAA O=C(CSc1nnc(-c2ccccn2)o1)Nc1ccccc1Cl 4488132 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0 50 EHAA Cc1cc(C)c2cc(C(=O)N3CCOC[C@H]3c3ccc(C)o3)[nH]c2c1 116864950 PDLBDNHWGLFTDF-SFHVURJKSA-N 338.407 3.900 0 50 EHAA C/C(=C\c1ccco1)[C@@H]1CC(=O)Nc2c1c(-c1ccccn1)nn2C 65493629 DDBQCAUQCGBRAL-WONIAPNHSA-N 334.379 3.604 0 50 EHAA Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2cccc(F)c2)c1C 20402044 SKXYOXMTSXZPHH-GOSISDBHSA-N 340.398 3.686 0 50 EHAA Cc1cnc2c(c1)N(C(=O)[C@H](C)CCc1ccccc1F)CCO2 125945180 JQDXHPMJJXUYAX-CQSZACIVSA-N 328.387 3.523 0 50 EHAA CCc1ccc(CN(CCOC)C(=O)Cc2sc(C)nc2C)cc1 65534532 DFHGLRMVECZVKN-UHFFFAOYSA-N 346.496 3.540 0 50 EHAA CCOc1ccc(OCCN2CCC[C@@H](n3ccnc3CC)C2)cc1 171523187 FMXQXDAQLTUKPI-QGZVFWFLSA-N 343.471 3.560 0 50 EHAA Cc1nc(CCCNC(=O)COc2ccc(Cl)cc2)sc1C 219552065 ZRLJYZLZJCJITD-UHFFFAOYSA-N 338.860 3.541 0 50 EHAA Cc1noc(C)c1CC(=O)N1CCCC[C@H]1CCc1cccs1 77457739 IFBJGKVPPZTWBC-HNNXBMFYSA-N 332.469 3.909 0 50 EHAA FC(F)(F)c1ccn(C2CCN(c3ccnc4cccnc34)CC2)n1 338693927 JMXGGDOLVJCUOZ-UHFFFAOYSA-N 347.344 3.687 0 50 EHAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2CCCOc1ccccc1 374782896 VKMAVEIMAMJASV-AYHJJNSGSA-N 325.456 3.600 0 50 EHAA COc1ccccc1-c1ccc(=O)n(Cc2ccc(F)cc2Cl)n1 40287595 OTSOPKSSJVAEKJ-UHFFFAOYSA-N 344.773 3.760 0 50 EHAA CC[C@H](NC(=O)c1ncncc1Cl)c1ccccc1OC(F)F 176540667 FIJFTIQGZUDFFQ-NSHDSACASA-N 341.745 3.613 0 50 EHAA C[C@H](Cc1cccnc1)n1cnc2scc(-c3ccco3)c2c1=O 43053805 SHJZGXKUMRQLSC-GFCCVEGCSA-N 337.404 3.917 0 50 EHAA COc1ccc(Cc2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)cn1 288965097 HKNQRZULSUIEEQ-UONOGXRCSA-N 343.333 3.613 0 50 EHAA Cc1ccc(N2C[C@H](C)N(C(=O)c3cccc(Cl)c3)CC2=O)cc1 82133750 XUJPUACCPNBMTL-AWEZNQCLSA-N 342.826 3.526 0 50 EHAA CCn1nccc1CN1CCC(c2noc3cc(F)ccc23)CC1 291499039 HFDOYJDTXICRLK-UHFFFAOYSA-N 328.391 3.563 0 50 EHAA C[C@H](NC(=O)N1CCC(OCc2ccccn2)CC1)C1CCCCC1 426615631 YVGQDWGHVXTBFF-INIZCTEOSA-N 345.487 3.741 0 50 EHAA NCC1CCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1 237816904 NLXVBLDNRRLBTL-UHFFFAOYSA-N 346.377 3.568 0 50 EHAA c1csc(-c2nc(CN[C@@H](c3nnc[nH]3)C3CCCCC3)co2)c1 292285565 UZCAVZPCQHDANU-OAHLLOKOSA-N 343.456 3.932 0 50 EHAA CCCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1C(=O)N(C)C 239882144 DAODHQUTYLPHMI-KRWDZBQOSA-N 345.487 3.847 0 50 EHAA CCCc1cc(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)[nH]n1 91504642 KRZIIXSKPBGOAE-JTQLQIEISA-N 325.334 3.872 0 50 EHAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc4sccc4c3)C2)n1 91872474 DKMZTEUJVNJQBI-MRXNPFEDSA-N 325.437 3.802 0 50 EHAA CC(C)(C)OC(=O)NC1(c2cccc(Br)n2)CCC1 253496075 BQSCBHUXFXLCIR-UHFFFAOYSA-N 327.222 3.748 0 50 EHAA N[C@H](c1ccccc1F)C1CCN(C(=O)OCc2ccccc2)CC1 255190451 XIHDYRGWLFXHEB-IBGZPJMESA-N 342.414 3.874 0 50 EHAA COCCNc1nc(-c2ccc(OC)cc2)cc(-c2cccs2)n1 824444993 PWPIUYWIDZOPIW-UHFFFAOYSA-N 341.436 3.939 0 50 EHAA COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)C=C1CCC1)CC2 1334073552 XRCJFROTCGEVIU-FQEVSTJZSA-N 327.424 3.650 0 50 EHAA CC[C@@H](C)c1ccccc1OCC(=O)N(C)CC1(CO)CCCC1 952983776 RHZVYZLUWMBGBG-MRXNPFEDSA-N 333.472 3.590 0 50 EHAA CCCC(O)(CCC)CC(=O)Nc1ccc(-c2nncs2)cc1 408515635 KVYAHBOTDPQPQF-UHFFFAOYSA-N 333.457 3.865 0 50 EHAA CC(C)c1ccc(C(=O)N2CCC[C@H](N3[C@@H](C)CC[C@H]3C)C2)c(O)c1 222149517 GQITWLMVAXWLTC-JZXOWHBKSA-N 344.499 3.993 0 50 EHAA CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(F)cc1 316104 DRQIBXYIDAKGGB-FMIVXFBMSA-N 326.371 3.616 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](C3(O)CC3)C2)c2cc(Cl)ccc2n1 1772814196 NPRAQHANUDSNJV-CYBMUJFWSA-N 344.842 3.574 0 50 EHAA Cc1nc2ccc(-n3ccnc3-c3ccc(-c4cc[nH]n4)o3)cc2[nH]1 1775982453 PLXFHGYADDUTKD-UHFFFAOYSA-N 330.351 3.707 0 50 EHAA Cc1c(C(=O)N[C@H](C)c2ccc(Cl)cc2)nnn1-c1ccccc1 16650672 BNAULLQRQZJGIF-GFCCVEGCSA-N 340.814 3.720 0 50 EHAA CN1C[C@@H](n2ccnc2-c2ccc(OCc3ccccc3)cc2)CC1=O 1857666990 XZZDUSMNGLIFGQ-SFHVURJKSA-N 347.418 3.532 0 50 EHAA Fc1ccccc1[C@@H]1CN(Cc2noc(C3CCCCC3)n2)CCO1 158146890 BIVSOOSALKDOMJ-KRWDZBQOSA-N 345.418 3.830 0 50 EHAA CO[C@H]1CC[C@H](C)N(c2nc(-c3cccnc3)nc3ccccc23)C1 866068884 CIFZOYMVEMFLKR-HOCLYGCPSA-N 334.423 3.696 0 50 EHAA O=C(NC1CC1)c1cccc(NCc2ncc(Cl)cc2Cl)c1 1875284847 QEYLLFALRQBONO-UHFFFAOYSA-N 336.222 3.893 0 50 EHAA COc1cc(NC(=O)OC(C)(C)C)ccc1-c1cc(CO)ccn1 1875292117 XJYWELWTDDMDGY-UHFFFAOYSA-N 330.384 3.597 0 50 EHAA CC(C)CN(C(=O)N1CCC[C@H](O)C1)c1ccc(C(F)(F)F)cc1 1875353639 ARIUQJYKYXYPNC-HNNXBMFYSA-N 344.377 3.745 0 50 EHAA C[C@@H](C[C@H]1CCCCN1Cc1csc(Br)c1)C(=O)O 1776002827 GMKBTWIJFITMMI-CMPLNLGQSA-N 346.290 3.976 0 50 EHAA COc1ccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1 51554 YTJIPFXXOVVAOG-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA COc1cc2ccc(CN3Cc4c[nH]nc4[C@@H](C)C3)cc2cc1OC 2325793093 FBLDPOUDZGTGJE-ZDUSSCGKSA-N 337.423 3.699 0 50 EHAA Cn1nc(C(F)(F)F)c(-c2ccc(-c3ccccc3)cc2)c1C(N)=O 2325821492 SVYJRIPKUHMJCB-UHFFFAOYSA-N 345.324 3.872 0 50 EHAA C[C@H](NC1=NC[C@@H]2CC[C@@H](C)CN12)c1ccccc1Br 2325864411 NRQSRHKKXSBESJ-AGIUHOORSA-N 336.277 3.570 0 50 EHAA O=C(N/C(=C/c1cccs1)C(=O)N1CCCCC1)c1ccccc1 44769 UNAOCLDGCCDNAN-SAPNQHFASA-N 340.448 3.532 0 50 EHAA COC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 128904 QKAZSZZWVOAOIT-UHFFFAOYSA-N 327.380 3.614 0 50 EHAA CC[C@@H](C)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 304437 QNZBKKZCSRIQLR-CYBMUJFWSA-N 346.452 3.959 0 50 EHAA O=C(NC(=S)N1CCCCCC1)c1ccc(Cl)cc1Cl 358847 DZSNJQUCTKIRGS-UHFFFAOYSA-N 331.268 3.884 0 50 EHAA CCC(=O)Nc1ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c1 472191 TXVOJDCBFVPRKH-UHFFFAOYSA-N 344.025 3.997 0 50 EHAA O=C(CCc1nc(-c2ccccc2Cl)no1)NCc1ccccc1 2433814 WYROLEIVPQREMH-UHFFFAOYSA-N 341.798 3.639 0 50 EHAA CCOC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C 2684686 KJEHQCFZQOPIHH-UHFFFAOYSA-N 339.804 3.926 0 50 EHAA CCOC(=O)c1ccc(OCc2nc(-c3ccc(C)cc3)no2)cc1 2881318 LVOKLBLIKFFPLW-UHFFFAOYSA-N 338.363 3.801 0 50 EHAA COc1ccc([C@@H]2S[C@H](C)C(=O)N2CCc2ccccc2)cc1 3098210 QZJQLPVMNWNFJI-KUHUBIRLSA-N 327.449 3.900 0 50 EHAA CCc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 7952023 JTHHMYRMFYHRQX-UHFFFAOYSA-N 328.843 3.865 0 50 EHAA C[C@H](N[C@H](C)[C@H]1COc2ccccc21)c1ccc([S@@](C)=O)cc1 246510596 UAKSUFWQJPDQSL-IONQCAEFSA-N 329.465 3.639 0 50 EHAA CN1C(=O)CC[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H]1c1ccccc1 20427393 ZDDHLHRNAORAMD-WMZOPIPTSA-N 342.826 3.888 0 50 EHAA CCCN(C(=O)c1cn(CC)c2nc(C)ccc2c1=O)C1CCCC1 67909384 GAMFCXLYZGPNTR-UHFFFAOYSA-N 341.455 3.520 0 50 EHAA O=C(C[C@H]1CCOc2ccccc21)NCc1nc2ccccc2s1 117576285 UNSJPXSKUUZMIK-CYBMUJFWSA-N 338.432 3.869 0 50 EHAA Cc1ncc(CNCc2cccnc2Oc2ccc(F)c(F)c2)cn1 64131743 PTNNKRVVCAMGNO-UHFFFAOYSA-N 342.349 3.540 0 50 EHAA Cc1cc(NCc2cc(-c3ccco3)on2)nc(-c2cccnc2)n1 65536275 OJHCRPSCGFGRHP-UHFFFAOYSA-N 333.351 3.707 0 50 EHAA Cc1cccnc1C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65386720 DTQBZBNJHNMJNG-VQTJNVASSA-N 346.430 3.534 0 50 EHAA COC(=O)Nc1ccc(CN[C@H](C)c2cnn(C(C)C)c2C)cc1 252551355 UCUWVDSFWXPSKZ-CYBMUJFWSA-N 330.432 3.802 0 50 EHAA O=C(NCC1(c2ccccc2)CCOCC1)c1cccc2ncccc12 75616561 OUGPEQPKJHADTP-UHFFFAOYSA-N 346.430 3.713 0 50 EHAA CO[C@@H]1CCCC[C@H]1NC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 426741909 NKYZEEYTEVKXJR-YMRXKLBXSA-N 338.398 3.551 0 50 EHAA CCn1ccc2ccc(CN(C)Cc3nc4ccccc4c(=O)[nH]3)cc21 72157365 RQZVQNOZWLTJQY-UHFFFAOYSA-N 346.434 3.530 0 50 EHAA O=C(O)c1ccccc1[C@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 72174287 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3.831 0 50 EHAA O=C(O)c1ccc(C(=O)Nc2ccccc2NCC(F)(F)F)cc1 238060018 GTCBJEAAVCTDNL-UHFFFAOYSA-N 338.285 3.611 0 50 EHAA CC(=O)c1cc(Br)ccc1NC(=O)c1cc(C2CC2)no1 241466071 NUMUACVIBPWHJC-UHFFFAOYSA-N 349.184 3.769 0 50 EHAA CC[C@@](C)(OC)c1noc([C@H]2CC(=O)N(c3ccccc3Cl)C2)n1 290188426 UIRUXZYEMNXCLG-APPDUMDISA-N 349.818 3.515 0 50 EHAA Cc1nccn1[C@@H](C)C(=O)NCCCSc1ccc(Cl)cc1 426414274 GJFGZYOBYJWKNB-LBPRGKRZSA-N 337.876 3.705 0 50 EHAA CC(C)N1C[C@]2(CCCN(c3ccnc4ccccc34)C2)CCC1=O 82120702 ZJTVZOAUKHGQKJ-OAQYLSRUSA-N 337.467 3.852 0 50 EHAA COc1cccc2ccc(N3CCC([C@H](C)N4CCCC4)CC3)nc12 95355733 GVEITCLHZYVNIM-INIZCTEOSA-N 339.483 3.944 0 50 EHAA Cc1cc(C)n([C@H](C)CNC(=O)c2ccc3cccc(Cl)c3n2)n1 97088428 XHNAJMYRNSOFHD-CYBMUJFWSA-N 342.830 3.693 0 50 EHAA CC(C)N1CC2(CCC1=O)CCN(Cc1cccc(Cl)c1)CC2 91462065 FMQUBTREZQWANL-UHFFFAOYSA-N 334.891 3.953 0 50 EHAA C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 257357474 OFWWSHNAQHDEIN-WOXLHXSOSA-N 334.500 3.566 0 50 EHAA 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325.408 3.926 0 50 EHAA Cc1cccc(C)c1-n1nnnc1[C@H](c1ccccc1Cl)N(C)C 22203763 XQBPCNUJIWRJEZ-KRWDZBQOSA-N 341.846 3.584 0 50 EHAA Cc1cc(C(=O)Nc2cnccc2OC(C)(C)C)nn1[C@H](C)C1CC1 347036640 RLEULOGUOFABQQ-CYBMUJFWSA-N 342.443 3.987 0 50 EHAA Cc1noc(C)c1[C@H](C)CNC(=O)N1CC=C(c2cccs2)CC1 120041803 GIDIIGMCCYZEBU-GFCCVEGCSA-N 345.468 3.955 0 50 EHAA O=Cc1cc(Br)ccc1OC(=O)Cc1ccc(F)cc1 336167 PXHJXYYZLQRQEL-UHFFFAOYSA-N 337.144 3.549 0 50 EHAA Cc1noc([C@H]2CCN(C(=O)c3oc4c(C)ccc(C)c4c3C)C2)n1 328591158 DSIFLHZGORZOBL-AWEZNQCLSA-N 339.395 3.679 0 50 EHAA CCC(CC)CC(=O)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 72150563 YURWVBLSLVJMDB-QGZVFWFLSA-N 346.471 3.687 0 50 EHAA Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccn3)c12 36353998 QPDSHEICYGQSQH-UHFFFAOYSA-N 330.347 3.846 0 50 EHAA CC(=O)c1cccc(-c2nccn2-c2ccc(N3CCCC3=O)cc2)c1 72427396 HFKZNVPLVVOOHY-UHFFFAOYSA-N 345.402 3.869 0 50 EHAA COc1ccc(CCN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(Cl)c1 239539177 AVQRSXCEGMQWEE-CGTJXYLNSA-N 335.875 3.828 0 50 EHAA 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341.342 3.733 0 50 EHAA O=C(c1ccccc1C(F)(F)F)N1CCC(c2ccncn2)CC1 299773740 FNFJDPDHRSAPRB-UHFFFAOYSA-N 335.329 3.515 0 50 EHAA CCOc1cc2nccc(N3C[C@H](C)O[C@H](C)C3)c2cc1OCC 301166173 HYTGZROFQORQSQ-OKILXGFUSA-N 330.428 3.646 0 50 EHAA CC1(C)C[C@H](NC(=O)c2ccc(Cl)c(N)c2Cl)C(C)(C)O1 408278920 VWQIDYKIUIMMJY-JTQLQIEISA-N 331.243 3.652 0 50 EHAA CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCCC1(F)F 672494783 PBZUAMVOCNXMSY-OAHLLOKOSA-N 349.381 3.579 0 50 EHAA CC(=O)N1CC[C@H](N[C@H](C)c2cccc(O)c2)c2ccc(F)cc2C1 194961078 VEXKQRSQEWGHCT-XCLFUZPHSA-N 342.414 3.675 0 50 EHAA Cc1cnc([C@H](C)NC2CCN(c3ccc(C)c(Cl)c3)CC2)[nH]1 1506400559 FAUFMZFLSTYWKQ-AWEZNQCLSA-N 332.879 4.000 0 50 EHAA Cc1noc(NC(=O)[C@@H](C)CN2CCCCC2)c1-c1ccccc1 1529178845 QYVXPJKHGDPBBL-AWEZNQCLSA-N 327.428 3.711 0 50 EHAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccnc4ccccc34)C1)CC2 1704314433 QQSODFLCQLXLHN-JOCHJYFZSA-N 344.462 3.813 0 50 EHAA COc1cc(F)c(-c2nccn2-c2cccc3c2CCO3)c(F)c1 1772815297 GGGXZEIBUGJSDW-UHFFFAOYSA-N 328.318 3.761 0 50 EHAA COc1cc(C)c(C)cc1S(=O)(=O)Oc1ccc(Cl)cc1 1775971146 HDRRBXXMXCUFFB-UHFFFAOYSA-N 326.801 3.733 0 50 EHAA CCSCc1nnc2sc(COc3ccc(Cl)cc3)nn12 1775972189 MFFIHRXMLSBEOR-UHFFFAOYSA-N 340.861 3.671 0 50 EHAA Cc1ccccc1CC[C@H]1CCCN(C(=O)CCc2cnccn2)C1 11838288 SMJVUBBWOQBISV-GOSISDBHSA-N 337.467 3.589 0 50 EHAA Cc1ccccc1CN1C(=O)CC[C@H]1CCNCc1ccc(F)cc1 11868140 ZTTNLBSZRSIKOQ-FQEVSTJZSA-N 340.442 3.805 0 50 EHAA Cc1occc1C(=O)N(CCc1ccccc1)CC1CCN(C)CC1 11933795 AIYJUHVJFHFDMH-UHFFFAOYSA-N 340.467 3.615 0 50 EHAA COc1ccc([C@H](C)NC(=O)c2c(F)cccc2Cl)cc1OC 12383679 PGBQYUPUGFXUFC-JTQLQIEISA-N 337.778 3.987 0 50 EHAA Cc1cc(CN2CCC[C@H](n3cncn3)C2)ccc1Oc1cccnc1 119516789 QJNRQZYYTGOMGO-SFHVURJKSA-N 349.438 3.611 0 50 EHAA O=C(c1cc2cc(Cl)ccc2o1)N1CC[C@@H](Oc2cccnc2)C1 135802179 UOPFKJWUHRAQJZ-OAHLLOKOSA-N 342.782 3.775 0 50 EHAA C[C@@H]1N(C(=O)c2csc(Cc3cccc(F)c3)n2)CCOC1(C)C 355689577 RTFZHKXIFJTBED-LBPRGKRZSA-N 348.443 3.513 0 50 EHAA Cc1nocc1C(=O)N1CC(C)(C)Oc2ccc(C(F)(F)F)cc21 906237507 NSQWHPHQMIWJDB-UHFFFAOYSA-N 340.301 3.820 0 50 EHAA O=C(O)c1ccc(-c2ccc(-c3cccc4c3CNC4=O)cc2)cc1 1245664754 MHQCBZNGXKWBOB-UHFFFAOYSA-N 329.355 3.962 0 50 EHAA Cc1nc(-c2cccc(CNC(=O)COC3(C)CCC3)c2)cs1 828027295 MNTKLYZXHRWJHA-UHFFFAOYSA-N 330.453 3.694 0 50 EHAA Cc1cnn([C@H]2CCCN(C(=O)c3ccc(Cc4ccccc4)[nH]3)C2)c1 932126006 ORZIPJYQQSCVFI-IBGZPJMESA-N 348.450 3.588 0 50 EHAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1CCCC(F)(F)CC1 1875288658 SVPSUAZQKYRAFQ-CYBMUJFWSA-N 325.355 3.559 0 50 EHAA Cc1ccc(-c2ccnn2C)cc1NC(=O)c1coc(CC2CC2)n1 1875252510 UVBHRVWROYVGOO-UHFFFAOYSA-N 336.395 3.588 0 50 EHAA c1ccc2c(C3CN(c4cc(C5CC5)nc(C5CC5)n4)C3)ncnc2c1 1875305272 OIMQGYFCRODAHY-UHFFFAOYSA-N 343.434 3.778 0 50 EHAA CC(C)C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(N2CCCCC2)ncn1 1875357318 BGWFUWQFHHOXIN-IRXDYDNUSA-N 344.503 3.802 0 50 EHAA c1ccc(Oc2cccc(CN3CCC(c4cn[nH]c4)CC3)c2)nc1 891780042 RPFLDUVKJRNOPU-UHFFFAOYSA-N 334.423 3.977 0 50 EHAA Cc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 1426034 XWBKBHGTUHRBSK-QGZVFWFLSA-N 337.423 3.938 0 50 EHAA CC[C@H](Sc1nc(C)c(CC(C)C)[nH]1)C(=O)Nc1cc(C)on1 4625656 WYJXIROYJPDQRT-ZDUSSCGKSA-N 336.461 3.722 0 50 EHAA CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CCC2 244047 RMGYAEAFEBMCFJ-UHFFFAOYSA-N 345.420 3.674 0 50 EHAA Cc1cccnc1C1CCN([C@@H](C)c2cn(-c3ccccc3)nn2)CC1 2325809808 PLBYPBIXRJMPGL-KRWDZBQOSA-N 347.466 3.911 0 50 EHAA Cc1nn(CC(F)(F)F)c(C)c1CNCc1cccc2cc[nH]c12 2325816217 AKOMQNAAPRQRQD-UHFFFAOYSA-N 336.361 3.833 0 50 EHAA COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(C)cc1 145434 RDAXQBQFUSAXPR-UHFFFAOYSA-N 325.817 3.766 0 50 EHAA Cc1ccccc1N[C@@H](NC(=O)c1ccco1)C(=O)c1ccccc1 190670 HTGOBHMGPZFUHC-IBGZPJMESA-N 334.375 3.639 0 50 EHAA CCOC(=O)[C@@H](Oc1ccc2c(C)cc(=O)oc2c1)c1ccccc1 264298 XTYLNIMMHAGPJX-IBGZPJMESA-N 338.359 3.785 0 50 EHAA COc1ccc2nc(SCC(=O)Nc3cc(C)ccc3C)[nH]c2c1 274418 LHGKVOZHGAUBOV-UHFFFAOYSA-N 341.436 3.919 0 50 EHAA COc1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1 452574 CYEDBAFHNQQONP-UHFFFAOYSA-N 335.856 3.898 0 50 EHAA Cc1cc(O)c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1C 456273 WHXVCFVQRRZSBE-UHFFFAOYSA-N 348.855 3.718 0 50 EHAA CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 471552 VVDLMVAKZJITMQ-NSHDSACASA-N 332.787 3.704 0 50 EHAA Cc1ccc(NC(=O)Cn2c(C)cc(=O)c3cccc(C)c32)cc1C 472640 MEPWJYDRESZILL-UHFFFAOYSA-N 334.419 3.874 0 50 EHAA O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356145214 GPMXBYAGRSLYLD-KRWDZBQOSA-N 349.356 3.549 0 50 EHAA CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Cl 4065732 BBXMMSHNSHRUBH-OAHLLOKOSA-N 336.819 3.701 0 50 EHAA O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)[C@H]1CCCO1 4750335 DYLJWLGNDZHBLM-UDMGLPGGSA-N 332.469 3.728 0 50 EHAA c1coc(-c2ncc(CNCc3ccc(C4OCCO4)cc3)s2)c1 225610521 MUYZVMXVHQBDMX-UHFFFAOYSA-N 342.420 3.738 0 50 EHAA C[C@@H](C(=O)OCc1ccc(N2CCCCC2)c(F)c1)C1CCOCC1 225855277 ZVIOGSTXKCSXTL-OAHLLOKOSA-N 349.446 3.922 0 50 EHAA CC(C)c1nccn1CCC(=O)Nc1ccc2c(c1)OC(C)(C)O2 114170858 PGDCGRGFRSVBPP-UHFFFAOYSA-N 329.400 3.543 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2ccc(OC(F)F)cc2)c1 55343233 HPDMVHHEMLHIIA-ZDUSSCGKSA-N 334.366 3.695 0 50 EHAA CNc1nc(-c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)cs1 253426058 XRHDTZXCWIENID-UHFFFAOYSA-N 338.647 3.743 0 50 EHAA O=C(c1ccccc1)c1ccccc1NC(=O)c1n[nH]cc1Cl 5642546 ZOMVHBSPHHDVLA-UHFFFAOYSA-N 325.755 3.546 0 50 EHAA CCc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(COC)o2)s1 331393115 KNEWIWRMWSYGNF-CYBMUJFWSA-N 334.441 3.731 0 50 EHAA Cc1nc(N2CCC(Cc3ccc(F)cc3)CC2)c2c(C)noc2n1 77439872 KRODLYTZFDLTCB-UHFFFAOYSA-N 340.402 3.833 0 50 EHAA Cc1oc(-c2ccccc2)nc1CCN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 365491848 LKIPKVYVPNKQPG-JQHSSLGASA-N 326.440 3.596 0 50 EHAA Cc1cccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)c1C 33088831 MSXNVIVDTANMAY-ZDUSSCGKSA-N 332.403 3.988 0 50 EHAA Cc1ncnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1C 71765185 BUZVEETVRBKKLC-HNNXBMFYSA-N 338.238 3.978 0 50 EHAA Clc1ccc(-c2nccn2Cc2noc([C@H]3CCCO3)n2)s1 77485629 CRSFRDOBIOPDHD-SECBINFHSA-N 336.804 3.548 0 50 EHAA c1ccc(-c2nc(-c3ccncc3)no2)c(OCc2cscn2)c1 241701810 QLIKSDWIHBPVID-UHFFFAOYSA-N 336.376 3.834 0 50 EHAA CC(C)c1nnc(CNc2cc(N3CCCC3=O)ccc2Cl)o1 129982334 RMGPAJPAMDXKHS-UHFFFAOYSA-N 334.807 3.585 0 50 EHAA Cc1c(CN(C)C(=O)CC[C@H](C)N2CCCC2)[nH]c2ccccc12 426433576 GSFBJBHPQYMDRE-HNNXBMFYSA-N 327.472 3.699 0 50 EHAA Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1cc(F)cc(F)c1 180045887 RJQMHXFTEKOTPC-GFCCVEGCSA-N 333.382 3.678 0 50 EHAA Cc1cc(C(=O)N[C@@H]2CCCOc3c(F)cccc32)nn1C(C)(C)C 181060671 NWLNBCBJFOCLTK-OAHLLOKOSA-N 345.418 3.729 0 50 EHAA O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cnc(C2CC2)nc1 295172328 OOAIFSIPBRIDPR-PBHICJAKSA-N 325.387 3.559 0 50 EHAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C[C@H]1CC(=O)O[C@@H]12 253596629 UHRRKAOLVBHHLU-RCFWRMPMSA-N 330.468 3.852 0 50 EHAA Cc1ccc(-c2nc(CN3[C@H](C(=O)O)C[C@H]4CCCC[C@@H]43)co2)cc1 299741405 FRUVONBODMJEOH-NJAFHUGGSA-N 340.423 3.868 0 50 EHAA CCn1ncc(-c2ccc([C@H](C)N3CCCCC3)cc2)c1C(=O)O 534592156 LMAGAWSKWYNEKQ-AWEZNQCLSA-N 327.428 3.815 0 50 EHAA O=C(NCCN1CC[C@H](c2ccccc2)C1)c1cc(F)cc(Cl)c1 670449444 NZVLZIHIZLVDCF-HNNXBMFYSA-N 346.833 3.698 0 50 EHAA CC(C)n1cccc1CNC(=O)c1cc2ccccc2c(=O)s1 952987079 PIPICCXMQFKROY-UHFFFAOYSA-N 326.421 3.574 0 50 EHAA Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)N1CCCC2(CC2)C1 278733812 MDMQBTMREZLEBK-UHFFFAOYSA-N 346.381 3.773 0 50 EHAA CC(C)Oc1ccc(C(=O)N2CCC(c3ccnc(O)c3)CC2)cc1 1772804462 PMALXTBJTNEFFS-UHFFFAOYSA-N 340.423 3.594 0 50 EHAA COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccccc1F 5008749 CIESTXHIUOKQBG-YLJYHZDGSA-N 338.382 3.704 0 50 EHAA O=C1C[C@H](c2ccccc2O)Cc2nc3nc4ccccc4n3cc21 5450874 UUZORSRHBQFNKT-GFCCVEGCSA-N 329.359 3.501 0 50 EHAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)c1 11996709 FRLDAONUYCPCPF-MRXNPFEDSA-N 341.407 3.802 0 50 EHAA COc1cccc(-c2cnnc(NCc3cccc(SC)c3)n2)c1 12298792 PMZVWKDVRRFKIL-UHFFFAOYSA-N 338.436 3.881 0 50 EHAA CCOc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 5499867 ZEIHZWKMWIFFLX-MDWZMJQESA-N 326.421 3.612 0 50 EHAA CC1CCN(C(=O)CCn2ccnc2-c2ccc3cccnc3c2)CC1 1857690232 XLNVMSAYCDWMEX-UHFFFAOYSA-N 348.450 3.747 0 50 EHAA C[C@H](CC(=O)N1CC[C@@H](N)C[C@H]1C)c1ccccc1C(F)(F)F 408519162 KYBTUTIUMIJNER-JHJVBQTASA-N 328.378 3.537 0 50 EHAA Cc1nc(C2CC2)ccc1C(=O)NC[C@@H]1CCC2(CCCCC2)O1 333451799 RXFYPLMRFPPKFR-INIZCTEOSA-N 328.456 3.879 0 50 EHAA CC1(C)CCCC[C@@H]1CC(=O)NCc1nnc(C2CC2)n1C1CC1 135824600 WGYBBWLWKYUGFW-CQSZACIVSA-N 330.476 3.713 0 50 EHAA FC(F)(F)[C@H](Sc1n[nH]c(Cc2cccs2)n1)[C@H]1CCOC1 901447098 JTAVHSUBZKLGGR-GZMMTYOYSA-N 349.403 3.517 0 50 EHAA C[C@H](NC[C@@H]1CCc2cc(F)ccc21)c1nc(O)c2ccccc2n1 1875307375 CQIXPXKGZZCNHP-JSGCOSHPSA-N 337.398 3.855 0 50 EHAA CN(c1cc(Cl)nc([C@@H]2CCCO2)n1)[C@H]1C[C@H]1c1ccccc1 2325761515 LGZRAUGMCUDOOJ-KKUMJFAQSA-N 329.831 3.974 0 50 EHAA Cc1ccc(-c2noc(-c3cc(C[C@@H]4CCCCN4)on3)n2)cc1F 2325771008 MITVDJKYOMPRIK-ZDUSSCGKSA-N 342.374 3.524 0 50 EHAA Cc1ccc(Br)c(CSC[C@@H]2[C@H]3CCOC[C@@H]32)n1 2325798274 CRIKGNHJGMWMSN-SDDRHHMPSA-N 328.275 3.668 0 50 EHAA Cc1cccc2c1O[C@@H](C(=O)OCc1cncc(C(C)(C)C)c1)C2 2325855157 KFJLMXSMLZBZQN-QGZVFWFLSA-N 325.408 3.734 0 50 EHAA Cn1nc2c(c1CNC(=O)Nc1cccc(C(C)(C)C)c1)CCCC2 2325865311 XLNCSWSUBBTIHU-UHFFFAOYSA-N 340.471 3.918 0 50 EHAA CC1(C)[C@H]2CC=C(CCOC(=O)c3ncn(-c4ccccc4)n3)[C@@H]1C2 2325865741 OLGXAMMVRNJXQH-RDJZCZTQSA-N 337.423 3.807 0 50 EHAA CSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)Nc1ccccc1-2 335936 ZEHCBDOQATZLNB-AWEZNQCLSA-N 326.381 3.665 0 50 EHAA CCc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 482467 ZWARIJLCIMTYOQ-UHFFFAOYSA-N 346.430 3.937 0 50 EHAA O=C(COC(=O)c1ccc2ccccc2n1)c1ccc(Cl)cc1 909608 SRAWEVDNFCRGGL-UHFFFAOYSA-N 325.751 3.928 0 50 EHAA COC(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1 1052490 LFVMMJBIUMHPSH-UHFFFAOYSA-N 349.390 3.528 0 50 EHAA Cc1c(NCc2cccnc2)cccc1C(=O)N(C)Cc1ccoc1 55120472 CBRIDKQQFPRSSU-UHFFFAOYSA-N 335.407 3.867 0 50 EHAA Cc1occc1C(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 225507386 VFBARXJHXBAHOY-UKRRQHHQSA-N 339.313 3.555 0 50 EHAA Cc1nc(C)c(C(=O)N(C)CCCOc2c(C)cccc2C)s1 55183133 VKSVAEVQRCSHPT-UHFFFAOYSA-N 332.469 3.918 0 50 EHAA CC[C@@H](C)NC1CCN(c2ccc(N3C(=O)CC[C@H]3C)cc2)CC1 55060981 HQIAKMYEODCDRY-HZPDHXFCSA-N 329.488 3.559 0 50 EHAA O=C(NCc1cccc2cc[nH]c12)c1c[nH]nc1-c1ccccc1F 346193448 YDSHXVAJKBGNBP-UHFFFAOYSA-N 334.354 3.627 0 50 EHAA Brc1cccc2cc(I)cnc12 64033888 JPJKDNAXYHDTSK-UHFFFAOYSA-N 333.954 3.602 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2F)c(F)c1 20252579 QEBVSCVRJBJZOK-QGZVFWFLSA-N 344.361 3.517 0 50 EHAA Fc1cccc(CCn2ccnc2-c2cnc(-c3ccco3)nc2)c1 67883660 MEHXDAJESVPXLX-UHFFFAOYSA-N 334.354 3.982 0 50 EHAA O=C(NCc1ccco1)C1CN(C(c2ccccc2)c2ccccc2)C1 20715297 HDYZQORMRJVEBB-UHFFFAOYSA-N 346.430 3.617 0 50 EHAA Cc1n[nH]c(C)c1CC(=O)N(Cc1c(F)cccc1F)C1CCCC1 171729443 OPROZCMCIGJDHB-UHFFFAOYSA-N 347.409 3.819 0 50 EHAA Cc1ccc(CNC[C@H]2CCc3nc(C(F)(F)F)cn3C2)s1 328630533 JLMQORNTZZVPEB-LLVKDONJSA-N 329.391 3.624 0 50 EHAA Cc1ncsc1CN(C/C=C/c1ccccc1)C[C@@H]1CCNC1 328633421 LYZBZUQKGQHJRT-KRZKXXONSA-N 327.497 3.576 0 50 EHAA CCCn1c(=O)n(Cc2csc([C@H]3CCCO3)n2)c2ccccc21 152921028 WHTHLAAMNBABFF-MRXNPFEDSA-N 343.452 3.569 0 50 EHAA CCn1cnnc1[C@@H]1CCCN(C(=O)c2cccc3ccsc23)C1 253431120 OFNQYJDBIWGRNR-CQSZACIVSA-N 340.452 3.533 0 50 EHAA CCCOc1ccc(/C=C/C(=O)NCc2noc3c2CCCC3)cc1 253426279 DQINXGDTHHWBAQ-FMIVXFBMSA-N 340.423 3.672 0 50 EHAA O=C(CCc1ccsc1)N[C@H]1CCCN(C2CCCCCC2)C1 39510578 HBKOHTJLERQHQT-KRWDZBQOSA-N 334.529 3.984 0 50 EHAA O=C(CCc1ccc2ccccc2n1)N1CCc2cccc(F)c2C1 363001089 KTGMVDQKPSCYTE-UHFFFAOYSA-N 334.394 3.891 0 50 EHAA CCc1c(C(=O)N2CCC3(CCOCC3)CC2)[nH]c2ccccc12 71746090 JQQUEMVEADECJL-UHFFFAOYSA-N 326.440 3.763 0 50 EHAA CSc1nc(C(=O)N2CCCC[C@@H]2c2nccs2)cs1 219121447 DUAPKICXTDXIGE-SNVBAGLBSA-N 325.484 3.689 0 50 EHAA COc1cccc(C[C@@H]2CN(Cc3cc4ccccc4[nH]3)CCO2)c1 71738594 NFUDRNFTMUVSSN-HXUWFJFHSA-N 336.435 3.620 0 50 EHAA COc1cc2c(cc1CN1CCN(C)[C@H](c3ccccc3)C1)CCC2 225337727 FAWVUDNETSKOPX-NRFANRHFSA-N 336.479 3.673 0 50 EHAA Clc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)s1 95361825 XJJHFIKTEBHXMT-JKSUJKDBSA-N 347.915 3.893 0 50 EHAA O=C(N1CCCC[C@@H]1CCc1ccccc1)C1(Cn2cccn2)CC1 91663308 KAMASKHSACPZOD-LJQANCHMSA-N 337.467 3.677 0 50 EHAA CN(Cc1cc[nH]n1)C(=O)CCc1ccc(-c2ccc(Cl)cc2)[nH]1 426413004 RMVYWRBDDTUYIB-UHFFFAOYSA-N 342.830 3.649 0 50 EHAA CC(C)c1ccc(N2C[C@@H](C(=O)N3CCCCCC3)CC2=O)cc1 96685862 NWAQODJKZQUKCO-KRWDZBQOSA-N 328.456 3.566 0 50 EHAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(O)c(C)c2)C1 95520522 QHQKUXKKSBQERZ-QGZVFWFLSA-N 341.455 3.717 0 50 EHAA CCCC1(NC(=O)N(C)Cc2c[nH]nc2-c2ccc(F)cc2)CC1 534666962 ZOWUWMKBMDXYMT-UHFFFAOYSA-N 330.407 3.690 0 50 EHAA Cc1ccc(Cl)c(NC(=O)NCC2(Cn3ccnc3C)CC2)c1 299766297 NAFFUTSOSTXXKV-UHFFFAOYSA-N 332.835 3.755 0 50 EHAA O=C(Cc1ccc(CO)cc1)NCC[C@@H](c1ccccc1)c1ccco1 828823315 BMZAUSQDHFSSQI-FQEVSTJZSA-N 349.430 3.653 0 50 EHAA O=C(C[C@H]1CCOC1)Nc1ncnc2scc(-c3ccccc3)c12 1340752388 IBXJDJMNZAKUMI-GFCCVEGCSA-N 339.420 3.723 0 50 EHAA CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(F)c2OC)c1 952983682 WNBMCWHKFYAKJU-UHFFFAOYSA-N 330.359 3.744 0 50 EHAA O=C(CC1(n2cccc2)CCSCC1)N1CCc2ccccc2C1 888104571 FMSDPUKMMIPVJG-UHFFFAOYSA-N 340.492 3.685 0 50 EHAA Cn1c([C@@H](NCC[C@H]2CCOC2)c2ccccc2)nc2ccccc21 408514307 CQEIKGLZZGTEBU-JXFKEZNVSA-N 335.451 3.679 0 50 EHAA O=C(CNc1cccc(F)c1)NC[C@@H]1CCCO[C@@H]1c1ccccc1 408513049 AODSNFHTTRRNPA-OXJNMPFZSA-N 342.414 3.522 0 50 EHAA Cc1csc([C@H](C)CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 221809206 YEMPUJVPCCCMMG-YUSALJHKSA-N 349.422 3.975 0 50 EHAA C[C@H](NC(=O)CCc1cc(F)ccc1F)[C@@H](c1ccccc1)N(C)C 170597976 XSYMRUPHKAAUKN-XOBRGWDASA-N 346.421 3.705 0 50 EHAA COCc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1 170591658 TUKBQMSEGFCNIJ-UHFFFAOYSA-N 345.406 3.550 0 50 EHAA CCO[C@@H]1C[C@H](NC(=O)c2cc3c(C)cc(F)cc3[nH]2)C12CCC2 170639071 VIQJQLKSSODFIA-DLBZAZTESA-N 330.403 3.693 0 50 EHAA Cn1ccc2c(NCC(=O)Nc3cccc4c3N=S=N4)cccc21 170620457 QENPXVNGWHVPJK-UHFFFAOYSA-N 337.408 3.955 0 50 EHAA Cc1c(NC(=O)c2occc2Br)cnn1C1CCCC1 192705722 DTQFKNUXIGMJGE-UHFFFAOYSA-N 338.205 3.914 0 50 EHAA Cc1ccc(N2CCC(C(=O)NCc3cc4ccccc4o3)CC2)nc1 194163527 FQUDCHXIJVZMKP-UHFFFAOYSA-N 349.434 3.669 0 50 EHAA CC(C)[C@H](NC(=O)[C@H]1CCCc2cccnc21)c1nc2ccccc2[nH]1 195405969 BCZMBHOBOIKOIW-YJBOKZPZSA-N 348.450 3.891 0 50 EHAA Cc1ccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cc1Cl 1529110379 MSQBPVGXHIJYRB-WNKDZCFJSA-N 334.891 3.839 0 50 EHAA CN(Cc1ccccc1OC(F)(F)F)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529167279 HSMPAJDCEVNTDC-NMWPEEMBSA-N 329.362 3.567 0 50 EHAA CC(=O)c1cccc(CN[C@H]2CCCc3c2cnn3-c2ccccn2)c1 11665116 FDEWDCMDDNZVCO-IBGZPJMESA-N 346.434 3.637 0 50 EHAA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 11665434 TWXPQRAMEFKBKS-IBGZPJMESA-N 338.451 3.964 0 50 EHAA CCN(CC)[C@H]1CCN(C(=O)c2oc3c(C)c(C)ccc3c2C)C1 12195247 SUTYGWBBHWLPLD-INIZCTEOSA-N 328.456 3.914 0 50 EHAA CN(Cc1ccno1)C(=O)C[C@H](c1ccccc1)c1ccccc1F 12570489 YHNIRRVSCBQJCI-GOSISDBHSA-N 338.382 3.994 0 50 EHAA COc1ccc(-n2nnc(-c3nc(-c4ccccc4)cs3)c2N)cc1 16648966 ZHJUQMSVBDQFAS-UHFFFAOYSA-N 349.419 3.649 0 50 EHAA CCn1ccnc1[C@H]1CCCCN1C(=O)[C@@H]1CCCC(F)(F)C1 328586274 NDZVITNYCDSMCI-ZIAGYGMSSA-N 325.403 3.782 0 50 EHAA COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccnn2CC(C)C)o1 162098079 VUVSXEKCCGBYFQ-HNNXBMFYSA-N 346.431 3.648 0 50 EHAA OC1CCC(CNc2nc(-c3ccccn3)nc3sccc23)CC1 858631818 KPPZXVCOQYXQKS-UHFFFAOYSA-N 340.452 3.716 0 50 EHAA O=C(Nc1cnc2c(c1)CCC2)N1CCO[C@@H](c2ccccc2)CC1 1875277480 NMTKXICWDKGREB-LJQANCHMSA-N 337.423 3.566 0 50 EHAA Cc1cnc(O)c(CN[C@@H](C)Cc2c(F)ccc(Cl)c2F)c1 1875284808 NXUXIHCEHNADKN-JTQLQIEISA-N 326.774 3.748 0 50 EHAA Cc1cc(Cl)cc(-c2cnn3c2CCCC3)c1OC1CCNCC1 1875329910 KFUXUJJEIZZUHF-UHFFFAOYSA-N 345.874 3.979 0 50 EHAA C[C@@H](c1ccc(C(F)(F)F)c(Cl)c1)N(C)C(=O)/C=C/CN(C)C 1875377374 YPMRYCPRHQPQGV-QRGHLMKCSA-N 348.796 3.996 0 50 EHAA Cc1c(F)cccc1C(=O)N[C@@H](C)Cc1nc(-c2ccccc2)no1 1875316413 OXDQCHVTULRUJB-LBPRGKRZSA-N 339.370 3.545 0 50 EHAA CCc1csc(CNc2nccc(N3Cc4ccccc4C3)n2)n1 2325780710 JUZRDKVRZQFPDW-UHFFFAOYSA-N 337.452 3.628 0 50 EHAA CC(C)(c1nc(C2(c3ccncc3)CCC2)no1)n1ccc(C2CC2)n1 2325783525 DFFOQJWVGFINSZ-UHFFFAOYSA-N 349.438 3.792 0 50 EHAA Cc1cccc([C@H](CN(C)C)NC(=O)c2ccc3cc(C)cn3c2)c1 2325856878 GZPSGPRGLZSHLN-FQEVSTJZSA-N 335.451 3.589 0 50 EHAA C[C@@H]1CC[C@H]2CN=C(N[C@H](C)c3ccccc3Br)N2C1 2325864414 NRQSRHKKXSBESJ-UPJWGTAASA-N 336.277 3.570 0 50 EHAA Cc1cccc(Cl)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 44257 UWTCNWHIMFQLKM-GFCCVEGCSA-N 346.789 3.779 0 50 EHAA COc1ccccc1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 51552 NYVPCECCFOIEAB-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA Cc1cc(OCC(=O)Nc2ccc(C(=O)O)cc2)cc(C)c1Cl 65022 NCZRQRXVQPTFBA-UHFFFAOYSA-N 333.771 3.673 0 50 EHAA Cn1c(=O)cc2c3c(c(Br)ccc31)C(=O)c1ccccc1-2 109090 QTNAUUGQZYCWGQ-UHFFFAOYSA-N 340.176 3.512 0 50 EHAA biogenic COc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1OC 270124 JBQWKEGAGLVSIC-UHFFFAOYSA-N 349.452 3.703 0 50 EHAA biogenic COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@H]1c1ccccc1F 439614 CIESTXHIUOKQBG-PXNSSMCTSA-N 338.382 3.704 0 50 EHAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(C)c1 453005 RCWCQQZHKPJIAD-UHFFFAOYSA-N 334.828 3.784 0 50 EHAA CCc1c(C)sc(NC(=O)C(Cl)(Cl)Cl)c1C(=O)OC 460540 CAINIPPHLPCADB-UHFFFAOYSA-N 344.647 3.714 0 50 EHAA COc1ccc([C@@H](C)NC(=O)Nc2ccc(C(C)=O)cc2)cc1OC 609977 GBKJQFLOQNDDAN-GFCCVEGCSA-N 342.395 3.789 0 50 EHAA CCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2OC)cc1 619318 ZDYNKMKOMYWABX-UHFFFAOYSA-N 325.817 3.712 0 50 EHAA CC(C)N1CCC[C@]2(CCCN2Cc2cccc3[nH]ccc23)C1=O 2356135553 JQSBPUALTUFOQX-HXUWFJFHSA-N 325.456 3.533 0 50 EHAA COc1ccc(-c2ncccc2-c2nccn2C[C@H](C)OC)cc1F 2356161844 MLAQHEGFJRLXRZ-ZDUSSCGKSA-N 341.386 3.795 0 50 EHAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 4892883 ZSCYJINYFFACSA-NWDGAFQWSA-N 325.767 3.865 0 50 EHAA CCn1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 4911270 CJWATDXISGNHMK-QGZVFWFLSA-N 333.435 3.615 0 50 EHAA CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 6746842 OGQRTQVUISJVCJ-ZDUSSCGKSA-N 326.396 3.613 0 50 EHAA CCC(=O)Nc1cccc(NC(=O)COc2cc(C)ccc2C)c1 9230799 YEBDFUKRJHRPPQ-UHFFFAOYSA-N 326.396 3.669 0 50 EHAA COCCCCCC(=O)N1CCC[C@H](COc2ccc(C)cc2)C1 55414279 BSNASVQAKHKMOJ-SFHVURJKSA-N 333.472 3.819 0 50 EHAA O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccccc1 65365247 GOEHEAXRUZBNNJ-MRXNPFEDSA-N 328.799 3.583 0 50 EHAA O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1 20279124 WCBKJWMRGQRKHJ-INIZCTEOSA-N 346.789 3.722 0 50 EHAA COc1ccc(CN(C)Cc2c(C)nn(C)c2Cl)c2cccnc12 65426778 NBKZBIUMLQTYMU-UHFFFAOYSA-N 344.846 3.571 0 50 EHAA CCc1nc2c(s1)[C@H](N(C)C(=O)c1cn(C(C)C)cn1)CCC2 253431032 NKEGGBAZZXTIMM-CQSZACIVSA-N 332.473 3.633 0 50 EHAA O=C(Nc1ccc(F)c(C2CC2)c1)N1CCC[C@H](c2ccn[nH]2)C1 253425728 DSFJNLVYQLFRGY-ZDUSSCGKSA-N 328.391 3.838 0 50 EHAA Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)n(C)n1 36620593 IQMQAJMGGVNLLN-AWEZNQCLSA-N 337.345 3.725 0 50 EHAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1sc(C)nc1C 328631886 RNPZEBNDTXEGLP-GFCCVEGCSA-N 335.498 3.717 0 50 EHAA Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)sc1C 257365510 GPDCPHWYXFSSHX-IXDOHACOSA-N 341.480 3.665 0 50 EHAA Cc1ccc(Nc2ccccc2C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 128499657 SZFRMLOYUCUBJZ-OAHLLOKOSA-N 338.407 3.675 0 50 EHAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@H](c2ncc[nH]2)C1 77423666 UOBAUJJYNGWAKS-KRWDZBQOSA-N 346.434 3.800 0 50 EHAA CCc1nc(CN(C)Cc2nc(-c3ccccc3Cl)oc2C)no1 72477928 IZIVNFFKSRGLBC-UHFFFAOYSA-N 346.818 3.881 0 50 EHAA CCc1cc(N(C)Cc2cc(-c3ccccc3)on2)n2nccc2n1 72435407 UNXSGOMGYDBTJQ-UHFFFAOYSA-N 333.395 3.583 0 50 EHAA O=C(NCCC1=CCCC1)c1ccc(-c2noc(C(F)F)n2)cc1 241301070 LQCJFTNGKHVCSX-UHFFFAOYSA-N 333.338 3.904 0 50 EHAA Cc1n[nH]cc1CN[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 241440000 NOGJLCCASDHNAE-URLYPYJESA-N 329.288 3.717 0 50 EHAA Cc1nc(C)c(NC(=O)N[C@@H](c2cccs2)C(C)(C)CO)s1 241837500 SKRNAZBFBAPEII-LBPRGKRZSA-N 339.486 3.703 0 50 EHAA COc1ccccc1[C@@H](CN[C@@H](C)c1cc(C)n(C)n1)OC(C)C 242324493 ZBTGKPRWCSPZJK-HNAYVOBHSA-N 331.460 3.554 0 50 EHAA Cc1cc([C@@H]2CCCCN2C(=O)c2ccc(N3CCCC3)cc2)no1 223279437 VUAKAJMWOLGWIR-IBGZPJMESA-N 339.439 3.951 0 50 EHAA Cc1nc(NC(C)C)sc1C(=O)NCCc1c[nH]c2ccccc12 40308926 CDMGUDBYAQODDE-UHFFFAOYSA-N 342.468 3.726 0 50 EHAA biogenic O[C@H](Cn1ccnc1-c1cc(F)ccc1-n1cccn1)c1ccccc1 82098038 OLMZOBUSNKCYJU-LJQANCHMSA-N 348.381 3.609 0 50 EHAA Cc1ccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 44932068 REMFUMOUCFIMBZ-UHFFFAOYSA-N 340.442 3.663 0 50 EHAA O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1C1CCCC1 40387688 OOVJQHSZOSWULV-UHFFFAOYSA-N 330.391 3.826 0 50 EHAA CCOc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)cc1 226297278 HHQKVUFHCXBCFJ-ONIAQPFYSA-N 343.423 3.717 0 50 EHAA COc1ccc(-c2ccc(=O)n(C/C=C/c3ccccc3)n2)c(F)c1 44920344 NCSHADKXZKURAZ-VMPITWQZSA-N 336.366 3.771 0 50 EHAA C[C@H]1CN(C(=O)Nc2cccnc2Oc2ccccc2F)CCCO1 95523991 OGPWJDQYNIGSEA-ZDUSSCGKSA-N 345.374 3.656 0 50 EHAA COC(=O)Cc1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1 97757368 WIOQEVSBRLIRGO-UHFFFAOYSA-N 337.419 3.695 0 50 EHAA CCOC[C@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2)nc1 299761245 YBMURZGQNAKDQY-MRXNPFEDSA-N 341.411 3.907 0 50 EHAA CCS[C@H](C)C(=O)Nc1cc(C)nn1Cc1ccc(Cl)cc1 1940196054 GVOCZGUPQUHIHQ-GFCCVEGCSA-N 337.876 3.973 0 50 EHAA CCc1nc(-c2ccc(C(=O)NC[C@@H](C)n3ccnc3)cc2)ccc1C 584902200 WZBHHJUZVBMMJW-MRXNPFEDSA-N 348.450 3.807 0 50 EHAA CC[C@@H](c1cccnc1)N(C)C(=O)c1cc(OC)c2ccccc2n1 952977403 NAFLWYXHQHFSDC-SFHVURJKSA-N 335.407 3.862 0 50 EHAA Cc1ccccc1[C@H](C)CC(=O)NC/C=C/CNC(=O)OC(C)(C)C 170594449 BPSNDBRCJFHHCX-ROJDOSBLSA-N 346.471 3.686 0 50 EHAA CCn1cnnc1-c1ccccc1NC(=O)Nc1ccc(O)c(C)c1 170604265 HIKZQKJKWIYQEY-UHFFFAOYSA-N 337.383 3.623 0 50 EHAA Cc1ccc(N(C)C(C)C)c(C(=O)N2CCOc3nc(C)ccc32)c1 189126496 OFFCRJXZSOZNJB-UHFFFAOYSA-N 339.439 3.582 0 50 EHAA C[C@@H](CC(=O)N1C[C@@H](C(=O)O)c2ccccc21)c1ccc(F)cc1F 192939707 JBSGCGFUUMQBLT-XHDPSFHLSA-N 345.345 3.673 0 50 EHAA O=C1[C@H](NCc2sccc2Cl)CCN1c1ccccc1Cl 193097524 AJCPFHICSFHSRF-GFCCVEGCSA-N 341.263 3.950 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCC(F)(F)F 195557130 DMGRZAQDSOHTDC-LBPRGKRZSA-N 332.370 3.606 0 50 EHAA CCCN1C[C@@H](Nc2ccnc3c(C(F)(F)F)cccc23)CC1=O 1529182585 VEEUIUDZEVSFGF-NSHDSACASA-N 337.345 3.676 0 50 EHAA O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc2c(c1)OCCO2 475487 LCHSCQDWQQRMDT-FNORWQNLSA-N 333.746 3.902 0 50 EHAA CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cccnc1 225666436 MZOYXTDUJJVVOM-UHFFFAOYSA-N 331.224 3.604 0 50 EHAA CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(C)o2)CC1 11753887 LZMKAPDRNWWICB-UHFFFAOYSA-N 341.451 3.976 0 50 EHAA COC[C@H]1CCCCN1Cc1nc(-c2ccc(F)cc2F)oc1C 12705588 UHXPCWDWFOSRKV-CQSZACIVSA-N 336.382 3.929 0 50 EHAA NCc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1 237940306 CXTBJIASMIAMSM-KRWDZBQOSA-N 328.843 3.646 0 50 EHAA O=C(Nc1ccn(-c2ccccc2Cl)n1)N1C[C@@H]2CCC[C@H]2C1 129243439 UAPQDLQXHNPDEN-STQMWFEESA-N 330.819 3.790 0 50 EHAA Cc1cc(Cl)c(C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)cc1C 653327901 BEALLXZBGJDQRG-PBHICJAKSA-N 343.810 4.000 0 50 EHAA COC1([C@@H](NCc2cc[nH]n2)c2cccc(C(F)(F)F)c2)CCC1 863983658 LNAAHADNCJSNBE-HNNXBMFYSA-N 339.361 3.829 0 50 EHAA O=C(OCc1ccccc1C(F)(F)F)[C@]12OCCC[C@H]1C2(F)F 1875267229 ZCMNLQPDEYGXPG-DGCLKSJQSA-N 336.256 3.563 0 50 EHAA Cc1nc(NC(=O)c2c(Cl)cc(F)cc2Cl)c2cc[nH]c2n1 1875339256 YPQADANDDRIYGS-UHFFFAOYSA-N 339.157 3.965 0 50 EHAA C[C@H](NC(=O)/C=C/CN(C)C)c1ccccc1-c1ccc(F)cc1 1875378861 KNGUXBZOAHGGCB-PPYMECGQSA-N 326.415 3.788 0 50 EHAA CCN1CCN(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 2049513536 VJHOQZHEQVTFQX-UHFFFAOYSA-N 343.430 3.588 0 50 EHAA Cc1cc(O[C@@H]2CCN(C(=O)Nc3cccc4cc[nH]c34)C2)ccn1 2325825913 HMTXRRRYVILXFU-MRXNPFEDSA-N 336.395 3.557 0 50 EHAA C[C@@H](NCCc1nsc2ccccc12)c1cccc2c1OCO2 2325870225 NSLXTKXZHISXFJ-GFCCVEGCSA-N 326.421 3.918 0 50 EHAA c1ccc(-c2ccccc2CN2CCOC[C@H]2C[C@H]2CCOC2)cc1 2325875423 RCSYCDGAZANTTP-WIYYLYMNSA-N 337.463 3.981 0 50 EHAA CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 367860 FHTHNERUDVLPON-UHFFFAOYSA-N 348.358 3.987 0 50 EHAA C[C@H](NC(=O)CCCc1cccs1)c1nc2ccccc2n1C 136576594 FTVSVMIAVAQYBE-ZDUSSCGKSA-N 327.453 3.835 0 50 EHAA Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2)cc1 421748 RAORXBFLEWWYSY-UHFFFAOYSA-N 338.436 3.615 0 50 EHAA Cc1nc2ccc(Br)cc2c(Cl)c1CCC(=O)O 446509 CBMTUDJKBYUTAI-UHFFFAOYSA-N 328.593 3.976 0 50 EHAA CCc1nnc(NC(=O)c2ccc(COc3ccccc3)o2)s1 818582 UAMMINASNABMQE-UHFFFAOYSA-N 329.381 3.525 0 50 EHAA aggregator CCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21 2460892 OQFDPDWOMMAMQV-UHFFFAOYSA-N 327.453 3.870 0 50 EHAA C[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]21)c1noc(-c2ccc(Cl)cc2)n1 246392675 CHSUYFNEWLTVKV-QQUHWDOBSA-N 331.803 3.613 0 50 EHAA O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)ccc1C(=O)O 5649550 VBGQKQYRWFJVKQ-UHFFFAOYSA-N 340.162 3.709 0 50 EHAA Cc1ccc(C)c(CCNC(=O)c2cc(COc3ccccc3)[nH]n2)c1 67934997 GLBLWDGQHALZEQ-UHFFFAOYSA-N 349.434 3.578 0 50 EHAA CC(C)n1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)n1 280726684 KBQCZHDOZCLUJP-RDJZCZTQSA-N 328.416 3.506 0 50 EHAA CC[C@H]1C[C@@H](CC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CCO1 281133342 TXQWBPXTTOKHIF-RKOGSIPDSA-N 341.373 3.671 0 50 EHAA Cc1n[nH]c(C)c1CN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 71779875 LNTBDYGLRRKZNA-PZJWPPBQSA-N 335.451 3.530 0 50 EHAA O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1ccccc1 36108965 GOEHEAXRUZBNNJ-INIZCTEOSA-N 328.799 3.583 0 50 EHAA Cc1ccc(N[C@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)cc1C 12446951 KCYOVRXOFBTWHI-KRWDZBQOSA-N 340.471 3.867 0 50 EHAA O=C(NCc1ccco1)c1cccc(CNC[C@@H]2C[C@H]3C=C[C@H]2C3)c1 155544437 KKKWGJGNPNYKDJ-IEZWGBDMSA-N 336.435 3.511 0 50 EHAA C[C@]12CC[C@@H]3c4ccc(OC[C@H]5CO5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 71766847 RBGCCCXOAAJQHS-FYLZZASKSA-N 328.452 3.681 0 50 EHAA Cc1nc([C@@H](C)NC(=O)N2CC(C)(C)OC3(CCCC3)C2)cs1 443128153 DCDDVCHPYDACCF-GFCCVEGCSA-N 337.489 3.646 0 50 EHAA CCc1cnc(C)nc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72130882 UHOKAQOYISSDFP-UHFFFAOYSA-N 344.422 3.898 0 50 EHAA CSc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1 13320011 FSVSZRUHROAVLA-UHFFFAOYSA-N 341.480 3.758 0 50 EHAA Cc1cccc(O[C@@H](C(=O)N2CC(Oc3ccccc3)C2)C(C)C)c1 219636699 AUFLTAURZISGHG-HXUWFJFHSA-N 339.435 3.688 0 50 EHAA CC(C)(C)/C=C/C(=O)N1CCOC[C@H]1c1nc2ccccc2s1 374324995 BCZUVLIEXNCQOF-VFNNOXKTSA-N 330.453 3.799 0 50 EHAA CCOC(=O)[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 71770900 QCLJKMYFBRKBGK-INIZCTEOSA-N 344.794 3.975 0 50 EHAA CC(C)(C)[C@@H]1CCc2sc(C(=O)N[C@@H]3CCSC3=O)cc2C1 17070952 SKUMPBTUKDSEIQ-VXGBXAGGSA-N 337.510 3.661 0 50 EHAA COCCC[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1Cl 82161221 DQABTASHQLYTER-OAHLLOKOSA-N 327.827 3.829 0 50 EHAA CC(C)Nc1ncc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cn1 426551112 LRYVCFQCQLBXPK-KRWDZBQOSA-N 338.455 3.563 0 50 EHAA CCc1nnc(CN(CC)C(=O)Nc2cccc3c2CCCC3)o1 95511220 JZNMISIACMWELV-UHFFFAOYSA-N 328.416 3.565 0 50 EHAA COCCN(C)C(=O)Nc1ccc(SCCc2ccccn2)cc1 96180140 GPZBWGXGRRESEZ-UHFFFAOYSA-N 345.468 3.527 0 50 EHAA O[C@H]1CC[C@H](Nc2nc(C(F)(F)F)nc3c(F)cccc23)CC1 245264959 FDQUACIPKJSLCH-KYZUINATSA-N 329.297 3.503 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)Cc2cccc(OC)c2)c(C)c1 822535061 YVTKXLDQTGEIKJ-UHFFFAOYSA-N 326.396 3.533 0 50 EHAA COc1cccc2c1CC[C@H](NC1CCN(c3ccccc3)CC1)C2 192439926 BRTCVRYBCSHQGX-IBGZPJMESA-N 336.479 3.811 0 50 EHAA CCC[C@]1(COC)CCCN1C(=O)c1cnc(-c2ccccn2)s1 192756193 RQSDHCRNOFVCJC-GOSISDBHSA-N 345.468 3.626 0 50 EHAA CC[C@H](C)NC(=O)c1ccc(NCc2c[nH]nc2-c2cccnc2)cc1 195117261 MNIZDZUFYQPJGT-AWEZNQCLSA-N 349.438 3.612 0 50 EHAA Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1F 311291 WLVAGPOMHYWYGV-UHFFFAOYSA-N 338.176 3.914 0 50 EHAA CSc1nc(C(=O)N2CCO[C@H](CC3CCCCC3)C2)cs1 12198639 CXVKVBUIKBFKMZ-CYBMUJFWSA-N 340.514 3.676 0 50 EHAA Cc1cc(C)n(-c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)n1 19851407 WMURSDMULYJTEA-UHFFFAOYSA-N 331.379 3.618 0 50 EHAA O=C1OC(c2cccs2)=N/C1=C\c1ccc(Br)s1 4471794 GKRUIMRSMYFGBO-VURMDHGXSA-N 340.223 3.917 0 50 EHAA c1ccc(-c2ccc(CN3CCc4[nH]nc(C5CC5)c4CC3)cc2)nc1 1857714505 WDNUDNKBOVTXIA-UHFFFAOYSA-N 344.462 3.950 0 50 EHAA CCc1nnc(CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)o1 413633018 APJBPLIEYHTTLC-UHFFFAOYSA-N 347.846 3.804 0 50 EHAA OC[C@H](Nc1ncnc2c1oc1ccccc12)c1c(F)cccc1F 341476836 GBKPILDGEGGVEI-ZDUSSCGKSA-N 341.317 3.800 0 50 EHAA Cc1ccc(Cl)c(CN2CCC3(CC2)C[C@@](C)(O)CCO3)c1F 1704330786 KDQNQKQZEDOECG-KRWDZBQOSA-N 341.854 3.684 0 50 EHAA O=C(Nc1cccc(NC(=O)NC2CC2)c1)Nc1ccccc1F 1875252707 XAZHUIRCXNJUAE-UHFFFAOYSA-N 328.347 3.754 0 50 EHAA O=C(N[C@@H]1COC2CC1C2)c1cc(C2CC2)nc2ccc(Cl)cc12 1875323075 WFZIYGLDKILUHY-LJMKFJKQSA-N 342.826 3.673 0 50 EHAA CC(C)(C)c1nnc(NC(=O)[C@]2(C)[C@H]3Cc4ccccc4[C@H]32)s1 2325727706 FPMLOVFBADEATC-VEVIJQCQSA-N 327.453 3.750 0 50 EHAA C[C@@H]1Oc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2[C@@H]1C 2325841552 ZMLFTJOMKGXTIA-OLZOCXBDSA-N 330.472 3.610 0 50 EHAA Cc1cc(S(=O)(=O)Nc2cccnc2C)c(Cl)cc1Cl 2325853847 DKBCUSKVWFJKHS-UHFFFAOYSA-N 331.224 3.806 0 50 EHAA Cc1ccc2occ(C(=O)N[C@H](C(=O)O)c3ccc(F)cc3F)c2c1 2325865381 AGDZQJVVNSTERI-INIZCTEOSA-N 345.301 3.575 0 50 EHAA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1Cl 108856 PSTSWJHEFVJBSU-AWEZNQCLSA-N 332.812 3.782 0 50 EHAA CCOc1ccc(CN2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 212365 UKVLMUAKVYCBPY-IBGZPJMESA-N 344.499 3.700 0 50 EHAA COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCC3)cc2)c1 339537 UBPDDHWZQJROIY-UHFFFAOYSA-N 326.396 3.556 0 50 EHAA COc1ccc(S(=O)(=O)NC2CCCCC2)c(Cl)c1Cl 470845 XRMNVDWJOZZVES-UHFFFAOYSA-N 338.256 3.613 0 50 EHAA COc1cc(C(=O)Nc2ccc(Cl)cc2F)cc(OC)c1OC 474050 SHXXSZHIHSBMBJ-UHFFFAOYSA-N 339.750 3.757 0 50 EHAA COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1Cl)CC(=O)N2 615835 CELBXRLWYQTIHV-JTQLQIEISA-N 335.762 3.970 0 50 EHAA CCCC(=O)OC[C@@H](CSC(=O)CCC)SC(=O)CCC 4529289 NHBKXEKEPDILRR-LBPRGKRZSA-N 334.503 3.818 0 50 EHAA COc1cc2c(=O)[nH]c(C3CCC(C)CC3)nc2cc1OC(F)F 225512081 JSHLQHPVMFHGOP-UHFFFAOYSA-N 338.354 3.827 0 50 EHAA CCOC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1C 9484211 GAINXCFIEOHDMG-UHFFFAOYSA-N 325.290 3.724 0 50 EHAA CSc1ccccc1OCc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)no1 101798168 ZJQMWHPCEGKCLJ-STQMWFEESA-N 344.436 3.600 0 50 EHAA O=C(c1ccncc1F)N(Cc1cccnc1)c1ccc(F)cc1 125449426 RTMHHULKGZQJBZ-UHFFFAOYSA-N 325.318 3.602 0 50 EHAA COc1ccc(-c2nc3ccccc3n2C2CCNCC2)cc1OC 36301117 KUJMFUDSKURUFP-UHFFFAOYSA-N 337.423 3.645 0 50 EHAA COc1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cc1C(=O)O 215968628 NUDWANZGFVYTRI-HNNXBMFYSA-N 329.371 3.522 0 50 EHAA O=C(c1c(O)cccc1O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71551823 JDPJJRPEYOUVOM-HNNXBMFYSA-N 343.398 3.722 0 50 EHAA Cc1noc(C)c1-c1csc(=N[C@H]2CCOc3ccccc32)[nH]1 368416870 NKAPKHLMISWHCD-ZDUSSCGKSA-N 327.409 3.773 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](COc3ccccc3F)C2)ccc1O 72457787 ZEUGLLZPAUOCMO-HNNXBMFYSA-N 343.398 3.771 0 50 EHAA CCOc1ccc(NC(=O)[C@]2(C)CCCc3ccccc32)cc1CO 156844667 GCZQOLOJVXUXOX-OAQYLSRUSA-N 339.435 3.810 0 50 EHAA Cc1ccncc1CNC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 241277736 LISUTRPWCXXSGN-HNAYVOBHSA-N 347.865 3.965 0 50 EHAA O=C(NCc1cscn1)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 241719828 QPWYNMBMKAWWHG-IAGOWNOFSA-N 325.437 3.673 0 50 EHAA CCOC(=O)C[C@H]1CCCCN1C(=O)Nc1cccc(SC)c1 72122565 MLLOTAZHYACEPN-CQSZACIVSA-N 336.457 3.748 0 50 EHAA COC(=O)c1cc(CN2CCC[C@H](C(=O)c3ccccc3)C2)cs1 72480482 AQQUNLDDZJZOOL-INIZCTEOSA-N 343.448 3.630 0 50 EHAA O=C1CC[C@@]2(CCCO2)CCN1Cc1cc(F)cc(C(F)(F)F)c1 72149944 PRQLVLVHOBVMDO-INIZCTEOSA-N 345.336 3.906 0 50 EHAA CCOc1cccc([C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)c1 221039539 DKAUKPNHISACCN-CVEARBPZSA-N 349.427 3.653 0 50 EHAA O=C1[C@H]2CC[C@H](CN(Cc3cccc(Cl)c3)C2)N1CC1CCC1 91793664 DTPUYIBMYAXJKN-FUHWJXTLSA-N 332.875 3.563 0 50 EHAA COc1ccc([C@@H]2CN(Cc3ccc(F)cc3F)C[C@H]2N(C)C)cc1 91644180 NKVWAAANKPGULO-AZUAARDMSA-N 346.421 3.503 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)N[C@@H](C(=O)O)c1ccc(F)cc1 95520827 CJJSXJUHVLPDRI-TXTVKVCSSA-N 345.414 3.674 0 50 EHAA CN(CCC(=O)Nc1ccc2c(c1)CCC2)Cc1cc(C2CC2)on1 252496029 PEIKLYDDEYIMBI-UHFFFAOYSA-N 339.439 3.501 0 50 EHAA C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCC1=O 170601721 GWPLDLZVBZFSJB-FZQKWOKYSA-N 326.223 3.534 0 50 EHAA COc1ccccc1/C=C(/C(=O)Nc1cccnc1O)c1ccccc1 170614408 JLTXGFLLZVJEOQ-SAPNQHFASA-N 346.386 3.975 0 50 EHAA OC[C@@H](N[C@@H]1COC2(CCC2)C1)c1ccc(Cl)cc1C(F)(F)F 657999313 HEPKGFXHRPJADV-SMDDNHRTSA-N 349.780 3.693 0 50 EHAA CC1=CC[C@H]2CN(C(=O)c3ccc(Cn4nc(C)cc4C)cc3)C[C@H]2C1 214843643 LCMJFRKIVTWLGC-LEWJYISDSA-N 349.478 3.977 0 50 EHAA Cc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)CC(C)(C)C)O3)nc1 11882485 FNVDKXINTZNMDJ-KRWDZBQOSA-N 338.451 3.913 0 50 EHAA O=C(c1cscn1)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 11950682 PORAYTPCUDCGLD-ZDUSSCGKSA-N 336.407 3.906 0 50 EHAA Cc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3)N3CCC[C@@]23C1=O 12713583 WEZSNFXBQNPHJX-FUDKSRODSA-N 346.474 3.933 0 50 EHAA Cc1cnc(NC(=O)[C@@H](C)Oc2ccccc2Br)s1 13330277 XFDVZVYEIJMGDB-SECBINFHSA-N 341.230 3.620 0 50 EHAA COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)NCC2 19228468 AFGIYTBFSNPSMM-QGZVFWFLSA-N 348.240 3.701 0 50 EHAA COC(=O)[C@H](c1cccnc1)N1CCC(c2c[nH]c3ccccc23)CC1 121789244 CGQVQJYQJQXXST-FQEVSTJZSA-N 349.434 3.657 0 50 EHAA C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C(=O)N2[C@@H](C)CC[C@H]2C)s1 162015731 LEQOURZQKRJLNI-KPWCQOOUSA-N 334.485 3.774 0 50 EHAA O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1ccc(C(F)F)c(F)c1 824456074 IWDAKVLUCKLOFU-GFCCVEGCSA-N 325.290 3.590 0 50 EHAA O=C(O)c1cnc([C@H]2CCCN2Cc2cccc3ccccc23)nc1 1875282486 HBVHPDNPQXKMOA-GOSISDBHSA-N 333.391 3.665 0 50 EHAA COc1ccc([C@@H]2CN(c3nc4c(s3)CCCC4)CCO2)cc1 1875307517 OWDYXRSPWLTKGR-INIZCTEOSA-N 330.453 3.608 0 50 EHAA Cc1nn(C)c(C)c1CNCCSc1c(C)[nH]c2ccccc12 1775985359 ACUFGMDTGGJWMY-UHFFFAOYSA-N 328.485 3.709 0 50 EHAA C[C@H](Oc1ccc(F)cc1)C(=O)Oc1ccc(Br)cc1 460877 IBTBOORCRUFUGC-JTQLQIEISA-N 339.160 3.961 0 50 EHAA Cn1cc(CN2CC[C@@]3(CCCN(CC4CC4)C3)C2)c2ccccc21 12307715 BHOAVKRLPHRBSU-JOCHJYFZSA-N 337.511 3.876 0 50 EHAA CN(C)C[C@H]1CCN(Cc2ccc(-c3cccc4cccnc34)o2)C1 2325700752 RLJGMWRGQVENFX-MRXNPFEDSA-N 335.451 3.878 0 50 EHAA Cc1ccnc2c(N3CCN(Cc4ccccc4)C[C@@H](C)C3)ccnc12 2325860402 HIXSEESRUIFXIU-QGZVFWFLSA-N 346.478 3.897 0 50 EHAA CCc1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O 83056 QGKCLPPCCQHBSF-INIZCTEOSA-N 326.421 3.691 0 50 EHAA COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)no2)cc1OC 425639 NHWOEIRRLPNXCS-UHFFFAOYSA-N 338.363 3.920 0 50 EHAA Nc1c(S(=O)(=O)c2ccccc2)sc2nc3c(cc12)CCCC3 441816 LJMZAOLZNKNGKO-UHFFFAOYSA-N 344.461 3.590 0 50 EHAA Cc1ccc(C)c(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)c1 477203 NDDDEKGEJNMNDD-UHFFFAOYSA-N 346.430 3.991 0 50 EHAA COc1ccccc1-c1nn2c(-c3ccc(F)cc3)nnc2s1 1058591 WWCKGTIHCLARBX-UHFFFAOYSA-N 326.356 3.668 0 50 EHAA O=C(O)c1ccccc1-c1ccccc1C(=O)NCc1ccccc1 1228874 XSRJRJVZVPKPKL-UHFFFAOYSA-N 331.371 3.982 0 50 EHAA CCc1cc2c3c(c(=O)oc2cc1OCC(=O)OC(C)C)CCCC3 2479796 QAKGTGBTKDYGBF-UHFFFAOYSA-N 344.407 3.565 0 50 EHAA C[C@H](OC(=O)CCCC(=O)Nc1ccccc1)C(=O)c1ccccc1 2814011 QDQIRIIGHPILRK-HNNXBMFYSA-N 339.391 3.610 0 50 EHAA CCCOc1cccc(-c2nc3ccc(OC(C)=O)cc3c(=O)o2)c1 3002911 ANRUBTIEUBSXDF-UHFFFAOYSA-N 339.347 3.569 0 50 EHAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccoc1C 10537065 JLFJMESUULWERF-UHFFFAOYSA-N 325.368 3.609 0 50 EHAA Cc1ccc(-c2cnc(NC(=O)CNC3CCCCC3)s2)cc1 22590234 UMNPTKZFYLKIDY-UHFFFAOYSA-N 329.469 3.979 0 50 EHAA Cc1cc(Cl)ccc1C(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67818887 RJADOKDYFSYXHS-UHFFFAOYSA-N 329.831 3.892 0 50 EHAA CC[C@H](Nc1nc(-c2cccnc2)nc2c1CNC2)c1cccs1 72159227 NSWXNKUVFSZGIJ-AWEZNQCLSA-N 337.452 3.767 0 50 EHAA O=C(c1ccccc1-c1ncc[nH]1)N1CC[C@H](c2ccccc2F)C1 77377171 RRQCLHJYBMUKDW-AWEZNQCLSA-N 335.382 3.846 0 50 EHAA O=C(CCC(F)(F)F)N1CCO[C@H](CCCc2ccccc2)C1 12299268 QAEZKOFLCWFCIB-OAHLLOKOSA-N 329.362 3.579 0 50 EHAA Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2cscn2)c1C 252492185 MFINDVSZMJBRQH-UHFFFAOYSA-N 332.816 3.851 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N[C@@H](C)Cc3cncs3)c2c1 77486777 HKYAESLSGODKTO-LBPRGKRZSA-N 325.437 3.669 0 50 EHAA O=C(NCCc1cnn(-c2ccccc2)c1)c1cccc(Cl)c1F 125777594 PIXCGTXYUUTYFH-UHFFFAOYSA-N 343.789 3.637 0 50 EHAA O=C(O)c1ccccc1[C@@H]1CCN(Cc2cccc(-n3cccn3)c2)C1 72146052 JBNAYBGCMKLRNQ-QGZVFWFLSA-N 347.418 3.560 0 50 EHAA C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 332476986 LKUGZOFSLQDPBD-ZIAGYGMSSA-N 345.439 3.599 0 50 EHAA Cc1ncsc1C(=O)N(C)Cc1csc(-c2ccccc2)n1 72480774 IZGKENLXENLKOT-UHFFFAOYSA-N 329.450 3.847 0 50 EHAA C[C@H](C[C@H](O)c1ccccc1)N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 241926503 UGQFKQZCGJOCJM-UBDQQSCGSA-N 348.487 3.534 0 50 EHAA CC(C)n1nccc1NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 289848051 QGVNMPZHCNPPIF-CYBMUJFWSA-N 332.835 3.582 0 50 EHAA CN(Cc1cccc2cnccc12)C(=O)c1ccc(-c2cc[nH]n2)cc1 95379184 VROPHILXBBPAMI-UHFFFAOYSA-N 342.402 3.897 0 50 EHAA COCC1(NCc2nc(Br)sc2C)CCCCC1 2325790764 INSCOOFCTHMUPX-UHFFFAOYSA-N 333.295 3.653 0 50 EHAA Cc1scc(C(=O)N2C[C@H]3CC[C@@H]2CN(C)C3)c1-c1ccccc1 91988455 NHQWLMFVXZMIOZ-DOTOQJQBSA-N 340.492 3.890 0 50 EHAA Cc1nc([C@@H](C)NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n[nH]1 348085717 XYKDNLPZAJICBX-LLVKDONJSA-N 333.395 3.567 0 50 EHAA CC(=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 257358806 WOUWWZYKGYDVMI-CEOYONBHSA-N 332.484 3.774 0 50 EHAA CN(C(=O)Nc1cccnc1Oc1ccccc1F)C1CCOCC1 299797838 CQLZIZOHCCVFII-UHFFFAOYSA-N 345.374 3.656 0 50 EHAA CCc1cc(C(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)cc(O)n1 299767657 INSCFYMBGXMCAP-NRFANRHFSA-N 338.451 3.790 0 50 EHAA O=C(O)c1cc(-c2cccc(-c3ccccc3)c2)cc(-n2cnnn2)c1 299796685 ODAXJILZBLPDRI-UHFFFAOYSA-N 342.358 3.695 0 50 EHAA CCCn1c(C)nc2cc(NC(=O)CCn3nc(C)cc3C)ccc21 823024195 DKPUPCMFKFENET-UHFFFAOYSA-N 339.443 3.597 0 50 EHAA CC(C)c1cc(C(=O)N[C@H](C)c2nc(-c3ccncc3)no2)cs1 670440788 ICONMXLLUGZCEP-LLVKDONJSA-N 342.424 3.808 0 50 EHAA CC(C)c1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1Cl 189025538 RCVOEWVYVRFWDK-UHFFFAOYSA-N 346.862 3.711 0 50 EHAA C[C@@H]1COCC[C@@H]1C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 194002444 COBIXBOSXLVRJY-RISCZKNCSA-N 343.345 3.537 0 50 EHAA O=C(c1csc(C2CC2)n1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 194888076 CKHAANAFCPTVDM-OAHLLOKOSA-N 348.855 3.888 0 50 EHAA Cc1[nH]nc(CCC(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)c1C 1506396546 CGCYKJLRYFSAGQ-OAQYLSRUSA-N 339.483 3.785 0 50 EHAA CC(C)[C@H]1CN(C(=O)c2ncc(F)cc2F)C[C@@H](c2ccccc2)O1 1529105461 BQPAPEQNHHULSR-SJORKVTESA-N 346.377 3.598 0 50 EHAA CN(CC1CCC1)C(=O)[C@@H]1CCc2sc(-c3ccncc3)nc2C1 1772813149 XJWFKPNFEGGVDN-OAHLLOKOSA-N 341.480 3.569 0 50 EHAA O=C(c1ccco1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1 11878312 OBPJPCDJIBOEPF-HXUWFJFHSA-N 330.472 3.788 0 50 EHAA Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)cc1C 11920590 BZBLGRDYDFDPRW-UHFFFAOYSA-N 335.285 3.730 0 50 EHAA COC(=O)c1cccc(NC(=S)NCc2ccc(Cl)cc2)c1 13483230 UNNFNWSTRWFXGO-UHFFFAOYSA-N 334.828 3.613 0 50 EHAA c1ccc2nc(-c3cc4c(s3)C3(CCNCC3)OCC4)cnc2c1 1857722158 DBZKZFVYGUOVBT-UHFFFAOYSA-N 337.448 3.510 0 50 EHAA Nc1c(Cl)ccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c1Cl 242389421 ZXDFZPHHRDLTNM-NORZTCDRSA-N 333.218 3.644 0 50 EHAA CC1(C)C[C@H](NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c2ccccc21 248916221 WCMNYHKGTDGNQA-JCGIZDLHSA-N 328.456 3.666 0 50 EHAA COc1cc(O)ncc1C(=O)N1CCCC[C@@H]1c1ccc(Cl)cc1 821780826 BPRYFZOJHWXIND-OAHLLOKOSA-N 346.814 3.817 0 50 EHAA Cc1ccc(F)c(NC(=O)N2CCC(c3cnc(N)cc3C)CC2)c1 1775993183 CLJLWFHLPUNWCR-UHFFFAOYSA-N 342.418 3.831 0 50 EHAA Fc1cccc(CN2CCCC[C@@H]2c2nc(-c3ccon3)no2)c1 1776006608 RRLFOBZGJVZXII-OAHLLOKOSA-N 328.347 3.591 0 50 EHAA CCN(C(=O)c1cccc2cc[nH]c12)[C@@H]1CCN(Cc2ccccc2)C1 184179620 LBVBIUDUNGNRGO-LJQANCHMSA-N 347.462 3.905 0 50 EHAA O=C(O)c1ccc([C@H]2CCCN2Cc2cc(C(F)F)on2)s1 2325790437 LOSLWNQVLXTFRQ-SECBINFHSA-N 328.340 3.709 0 50 EHAA Fc1ccccc1C1CN(Cc2cnc(-c3cccs3)nc2)C1 2325857890 STADSARQWMAVJM-UHFFFAOYSA-N 325.412 3.944 0 50 EHAA COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 98147 OJENXLXHWUIMHY-UHFFFAOYSA-N 343.379 3.521 0 50 EHAA Cc1cc(NS(=O)(=O)c2cccs2)ccc1Br 378916 SBSBBAFFUFDTNR-UHFFFAOYSA-N 332.244 3.620 0 50 EHAA COc1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 464878 VFINHXMMEWXJRJ-UHFFFAOYSA-N 332.208 3.803 0 50 EHAA COC(=O)c1c(NC(=O)c2c(F)cccc2F)sc(C)c1C 1053455 SAGQCYXCCNJNMC-UHFFFAOYSA-N 325.336 3.682 0 50 EHAA C[C@@H]1CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C[C@@H](C)O1 2373217 GCCHDBDFOSSYDP-VXGBXAGGSA-N 346.254 3.788 0 50 EHAA O=C(Nc1cccc(C(F)(F)F)c1)c1ncn(-c2ccccc2)n1 4868129 RQTLUGZQRGEVOD-UHFFFAOYSA-N 332.285 3.538 0 50 EHAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(Cl)c1 7720329 QUZXQPJTCXTCGK-UHFFFAOYSA-N 327.771 3.662 0 50 EHAA CC(=O)Nc1ccc(Cl)c(C(=O)NCc2c(F)cccc2F)c1 55358245 ZSOGGKULNZAHOQ-UHFFFAOYSA-N 338.741 3.507 0 50 EHAA COc1ccc([C@H]2NC(C)(C)Cc3cc(OC)c(OC)cc32)cc1 22171364 KHOMHKAECWZXKI-LJQANCHMSA-N 327.424 3.726 0 50 EHAA COc1cc(-c2cc(Cl)ccc2NC(C)=O)cc(OC)c1OC 67712980 PYXLFUUKLLRWMI-UHFFFAOYSA-N 335.787 3.991 0 50 EHAA Cc1cc(NC(=O)CN(Cc2cncs2)C2CC2)ccc1Cl 65435148 IBSJPKNNPYWRGL-UHFFFAOYSA-N 335.860 3.708 0 50 EHAA Cc1ccc2nc(CNC(=O)N[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cn2c1 229758636 QLBARBBSNIBOSL-PTSWNOGYSA-N 340.471 3.657 0 50 EHAA C[C@@H]1CCN(Cc2csc(-c3cnn(C)c3)n2)[C@H]2CCCC[C@H]21 252517277 DOCLKQMVODZZPI-COXVUDFISA-N 330.501 3.944 0 50 EHAA CC(C)[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1 63913090 FHWBFSJWSVOMOU-HXUWFJFHSA-N 338.451 3.650 0 50 EHAA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnsn1 240465 IOVFCFYRRUJZST-UHFFFAOYSA-N 341.236 3.828 0 50 EHAA Cc1ncsc1CN(Cc1coc2ccccc12)C[C@@H]1CCNC1 328639500 PPCDONOBHRACLD-OAHLLOKOSA-N 341.480 3.809 0 50 EHAA CNC(=O)Cc1cccc(-n2ccnc2-c2cccc3ccccc23)c1 77436490 AOPDRTCZCMTZCC-UHFFFAOYSA-N 341.414 3.981 0 50 EHAA O=C(NC1CCN(Cc2cccs2)CC1)[C@@H]1CCc2ccccc21 216118264 UFWCVBKWCVWBGP-LJQANCHMSA-N 340.492 3.559 0 50 EHAA CCc1cc(N[C@H](CCn2ccnc2)c2ccccc2)n2nccc2n1 72476002 AMIRODLZRAPGRO-GOSISDBHSA-N 346.438 3.732 0 50 EHAA CNC(=O)c1ccc(CN2CCCC[C@@H]2CCc2cccs2)o1 77439983 MPIHVFIJEPRQDJ-CQSZACIVSA-N 332.469 3.688 0 50 EHAA Cc1ccc(NCc2cc(Cl)ccc2F)cc1S(C)(=O)=O 239654470 BNWCMEROFOZZFK-UHFFFAOYSA-N 327.808 3.803 0 50 EHAA O=C(Nc1ccc(Cl)c(Cl)n1)N1CCCC[C@@H]1c1cn[nH]c1 241277717 LIOVGNADKVMYPB-LLVKDONJSA-N 340.214 3.871 0 50 EHAA Cc1c(F)cccc1NS(=O)(=O)c1ccc(Br)cc1 43322905 YZRFGEUFATVFCO-UHFFFAOYSA-N 344.205 3.697 0 50 EHAA O=C1Nc2ccccc2NC12CCN(C/C=C/c1ccccc1)CC2 82126220 VOVJXXUXSFIYBX-RMKNXTFCSA-N 333.435 3.599 0 50 EHAA CCCOc1ccccc1[C@@H](C)NC(=O)c1cc(CCC)nn1C 82162120 KHYGOFJEKYZULO-CQSZACIVSA-N 329.444 3.652 0 50 EHAA O=C(OCc1ccc(I)cc1)c1ccccc1 220963384 SHXBMXWMWXARLT-UHFFFAOYSA-N 338.144 3.648 0 50 EHAA O=C(NCCCSCc1ccc(Cl)cc1)[C@H]1CCC[C@H](O)C1 223676670 PGTAGWBSHOSXAC-HOCLYGCPSA-N 341.904 3.631 0 50 EHAA O=C(Nc1cccc(N2CCCNC2=O)c1)[C@H]1CCCc2ccccc21 266215792 QVNMUILIKCFSRV-IBGZPJMESA-N 349.434 3.665 0 50 EHAA Cc1cn2c(CNCCCN(C)c3ccccc3)c(C)nc2s1 237078807 DWYDFSXDPVWPNO-UHFFFAOYSA-N 328.485 3.629 0 50 EHAA O=C(NC1CC(F)(F)C1)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 292536567 GONSUCMIZIGZOX-SJORKVTESA-N 346.377 3.558 0 50 EHAA CCOc1ccccc1[C@@H](CC)NC(=O)C[C@H](N)c1ccccc1 236988696 ZPKBVCTZPPMKEN-ZWKOTPCHSA-N 326.440 3.743 0 50 EHAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1Cc2ccccc2C1 97601160 YVXFWPAMZSMOPY-UHFFFAOYSA-N 349.434 3.779 0 50 EHAA CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 295329656 ASIVZKVVRSPRBX-DGCLKSJQSA-N 347.846 3.839 0 50 EHAA Cc1cc(C(=O)N(C)[C@H]2CCO[C@@H]2c2cccnc2)c(C)n1C(C)C 299746038 UWDNEOBOFMAMED-RBUKOAKNSA-N 341.455 3.683 0 50 EHAA CCOC(=O)c1c(Br)ccc(F)c1Br 263622954 CJRZKZAOYITLAV-UHFFFAOYSA-N 325.959 3.527 0 50 EHAA Cc1cc(CC(=O)Nc2nc([C@@H](C)Oc3ccccc3)cs2)on1 1940196887 BGFPUDNCOYKRMY-GFCCVEGCSA-N 343.408 3.761 0 50 EHAA Cc1nc(CC(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)cs1 827855233 FAUZRZUSKCXBEQ-KRWDZBQOSA-N 346.452 3.581 0 50 EHAA O=C(c1cccc2nc(O)[nH]c12)N1C[C@H]2CCCC[C@]21c1ccccc1 1332890756 AMWXFZSJHWFXAD-VFNWGFHPSA-N 347.418 3.810 0 50 EHAA O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccco1 278414909 SLXFSBITCQCPTO-UHFFFAOYSA-N 339.313 3.734 0 50 EHAA C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@H]2c2ccncc2)cn1 189646286 IDNRQDZAKNIEMG-DYVFJYSZSA-N 325.416 3.618 0 50 EHAA CC(C)c1nnc(CCC(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)o1 189861747 QPJYRJXFHJGJKI-LLVKDONJSA-N 349.818 3.593 0 50 EHAA CC(C)(C)N1CCN(C(=O)CCC2CCOCC2)c2ccccc21 190603584 CFRNZKITBXOUIB-UHFFFAOYSA-N 330.472 3.845 0 50 EHAA C[C@H](CN(C)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1nccs1 195211344 OIOFHWUSVALCFX-BYCMXARLSA-N 333.432 3.583 0 50 EHAA O=c1/c(=C/C=C/c2ccccc2Cl)sc2nc3ccccc3n12 83125 LVEJPOKAFQJENF-PFKGSKDKSA-N 338.819 3.775 0 50 EHAA CCC[C@H](Nc1ccc(C(=O)N2CCOCC2)cn1)c1cccs1 1704347322 APWAJIFFMUAIDJ-HNNXBMFYSA-N 345.468 3.569 0 50 EHAA CC1CCN(CCCNc2noc(-c3ccccc3)c2C(=O)O)CC1 1704314661 WHMAGFGOOYYUAM-UHFFFAOYSA-N 343.427 3.574 0 50 EHAA CCCOc1ccccc1/C=C1\N=C(c2cccc(F)c2)OC1=O 2317487 URNBTRNGYBLMCM-VBKFSLOCSA-N 325.339 3.959 0 50 EHAA CCN(CC)c1ccc(NC(=O)S(=O)(=O)c2ccccc2)cc1 5736537 IOQHEOTUXFULHX-UHFFFAOYSA-N 332.425 3.539 0 50 EHAA CCCc1nc2ccccc2c(NC(=O)CN2CCCC2)c1CC 5250209 AHRFSLSSCBSAGC-UHFFFAOYSA-N 325.456 3.784 0 50 EHAA CCOC(=O)CN(C)C(=O)C[C@H](c1ccccc1)c1ccccc1C 11773876 DQOYKLUBWHTPKI-LJQANCHMSA-N 339.435 3.539 0 50 EHAA O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)Nc1ccccc1 11838443 KYGCFKMJZGIPPR-UHFFFAOYSA-N 326.440 3.754 0 50 EHAA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccn1 12380695 MBGLZRNWUARBRL-INIZCTEOSA-N 332.403 3.832 0 50 EHAA C[C@@H](NC(=O)C(C)(C)Oc1cc(Cl)ccc1Cl)[C@@H]1CCCO1 12383223 AQUSPUMZQCMORO-MFKMUULPSA-N 346.254 3.835 0 50 EHAA CCc1ccc(CN2CCC(CO)(CCOc3ccccc3)CC2)o1 12443293 PMTYSULUHUXQOV-UHFFFAOYSA-N 343.467 3.886 0 50 EHAA Cc1ccccc1[C@H](CC(=O)N(C)CCn1ccnc1)c1ccccc1 12444760 XVBRTBITNTZGGD-OAQYLSRUSA-N 347.462 3.872 0 50 EHAA COc1ccccc1C(=O)Nc1c(F)cc(F)cc1Br 13325649 ZRWZUXVESZVESG-UHFFFAOYSA-N 342.139 3.988 0 50 EHAA O=C(Nc1ccccc1C(F)(F)F)c1c[nH]c2ccccc2c1=O 16649037 NZFMAZJBGUUWJF-UHFFFAOYSA-N 332.281 3.799 0 50 EHAA CN(CCc1cnn(C)c1)Cc1c[nH]nc1-c1cccc2ccccc12 19837763 DHZJHXYFQZCZQF-UHFFFAOYSA-N 345.450 3.638 0 50 EHAA CN1CC[C@@H](n2ccnc2-c2ccc(N(C)c3ccccc3)cc2)C1=O 1857671296 DIHAIQIQDHGYFY-LJQANCHMSA-N 346.434 3.721 0 50 EHAA C[C@H](NC(=O)NCC1=CCN(C)CC1)c1cc2ccccc2s1 242147471 WSCSVXJLNLCJNQ-ZDUSSCGKSA-N 329.469 3.523 0 50 EHAA O=C(Nc1ccncc1)c1cnc2c(C(F)(F)F)cccc2c1O 12421847 XUROWBKFVFQXKG-UHFFFAOYSA-N 333.269 3.607 0 50 EHAA Cc1ccc([C@@H]2CCCN2C(=O)CCc2ccccc2C(=O)O)o1 262233397 XAGTYMIBGJOMTC-INIZCTEOSA-N 327.380 3.583 0 50 EHAA O=C(NC[C@H]1CCC2(CCCC2)O1)c1c[nH]cc1Cc1ccccc1 824382497 ACAJZIRGFQKYAX-GOSISDBHSA-N 338.451 3.827 0 50 EHAA CC(C)c1cccc(NC(=O)NC2([C@H]3CCCO3)CCOCC2)c1 1875288485 HESBWMKCKFLNAJ-QGZVFWFLSA-N 332.444 3.660 0 50 EHAA CC(=O)N1c2ccc(-c3cnn(-c4nccs4)c3)cc2CC1(C)C 1875392085 JVIFOHVHUCAJGP-UHFFFAOYSA-N 338.436 3.683 0 50 EHAA C[C@H]1CCc2c(C(=O)Nc3n[nH]cc3Br)csc2C1 294061429 XTUNXZRTGMTOQV-ZETCQYMHSA-N 340.246 3.611 0 50 EHAA Cc1nc(-c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2)cs1 6668240 PYYXNAANQQHGKL-GJZGRUSLSA-N 342.420 3.724 0 50 EHAA CC(C)(C)n1nccc1CNc1ccc([C@H](O)C(F)(F)F)cc1 2325774128 CKMTZKDEAKRQAN-AWEZNQCLSA-N 327.350 3.846 0 50 EHAA COc1ccc(CCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 1217345 VSHNLBVWNLRKNX-UHFFFAOYSA-N 347.842 3.703 0 50 EHAA O=C(N[C@H]1CC(=O)c2sccc21)c1cccc(C(F)(F)F)c1 1386527 DQIHYJNLNFGSJS-NSHDSACASA-N 325.311 3.824 0 50 EHAA COc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2Cl)cc1 2836533 HETNBEFUTLPTNR-UHFFFAOYSA-N 333.192 3.770 0 50 EHAA Cc1ccc(C(C)C)c(OCCSc2nc3c(N)ncnc3[nH]2)c1 2854079 GXARPDPVKJTYTE-UHFFFAOYSA-N 343.456 3.538 0 50 EHAA O=C(Cn1c(=O)oc2ccccc21)Nc1cc(Cl)cc(Cl)c1 4827187 BDFKQDCDQJIYPP-UHFFFAOYSA-N 337.162 3.540 0 50 EHAA COc1ccc(C(=O)[C@@H]2CN(C)C[C@@H]2c2ccc(Cl)cc2)cc1 5525652 BJLIVVSDLXNEDM-QZTJIDSGSA-N 329.827 3.877 0 50 EHAA O=C(O)c1cccc(-n2c(-c3ccc4ccccc4n3)n[nH]c2=S)c1 5927648 ORYNPGPZJOPFHH-UHFFFAOYSA-N 348.387 3.843 0 50 EHAA CCCC(=O)Nc1ccc(Cl)c(N2C(=O)c3ccccc3C2=O)c1 10287424 CRYDEPLNJNMXFD-UHFFFAOYSA-N 342.782 3.879 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)nc(C)n1 11880029 PMAGZHDDILOIRT-QGZVFWFLSA-N 341.430 3.718 0 50 EHAA O=C1N(CC2CCC2)CCC[C@@]12CCN(Cc1ccc(F)cc1F)C2 12005615 DABRHCUUWLNIBV-FQEVSTJZSA-N 348.437 3.579 0 50 EHAA O=C(CC[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1)NC1CC1 12304338 NFXRWSPDBBWNES-DUXHTMCSSA-N 330.447 3.610 0 50 EHAA COc1ccc(N[C@H]2CCCN(C(=O)C3=CCCCC3)C2)cc1OC 12432863 KKWSNDCFORIPQD-KRWDZBQOSA-N 344.455 3.607 0 50 EHAA CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2 12704893 VBPXXQRZAZXEPC-HBFSDRIKSA-N 347.462 3.546 0 50 EHAA Cc1cc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc(C)c1Br 13153686 QABXOPSAHXPLOQ-STQMWFEESA-N 334.213 3.522 0 50 EHAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)C4CCCC4)C3)C2)c1 14979770 OBAIFXBJEHRPCO-JOCHJYFZSA-N 340.511 4.000 0 50 EHAA O=C(NCc1ccco1)c1ccc(CN2CCc3ccccc3C2)cc1 19798880 YLUZBKGVIYZFDB-UHFFFAOYSA-N 346.430 3.768 0 50 EHAA Cc1nnc(SCCOc2ccc(Br)cc2)s1 22238508 IPVZNGLSAKAECG-UHFFFAOYSA-N 331.260 3.780 0 50 EHAA CCOC(=O)[C@H]1CCCN(c2cc(C)c3cc(Cl)ccc3n2)C1 23634804 NYZXJNJYUQVUQE-ZDUSSCGKSA-N 332.831 3.976 0 50 EHAA COc1ccc(CC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1OC 36620855 YWVKNEVMEBFYDT-GOSISDBHSA-N 339.435 3.918 0 50 EHAA CC[C@@H](C)N(Cc1ccncc1)Cc1cc(OC)c2c(c1)OCO2 55360068 UGQVILPQHXJEBL-CQSZACIVSA-N 328.412 3.620 0 50 EHAA CCC(=O)Nc1cccc(C(=O)N(Cc2ccccn2)CC(C)C)c1 55568771 NRGXRMFRADHYKZ-UHFFFAOYSA-N 339.439 3.729 0 50 EHAA CC(C)c1cc([C@H]2CCCN2C(=O)NCCc2ccccc2)on1 64667180 DBYUOSWFWDMIKR-QGZVFWFLSA-N 327.428 3.887 0 50 EHAA CC(=O)N[C@@H]1CN(Cc2ccc(OC3CCCC3)cc2)C[C@H]1C(C)C 77393575 RGAJDZBIZDTIOW-LEWJYISDSA-N 344.499 3.601 0 50 EHAA COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccco3)[nH]n2)cc1 91305785 VYOXBILVHRZSTD-KRWDZBQOSA-N 337.379 3.656 0 50 EHAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 95371248 HFNKNIOBSILUNZ-AWEZNQCLSA-N 333.382 3.762 0 50 EHAA CN(CC[C@@H]1CCCCO1)C(=O)c1ccc(CN2CCCCC2)cc1 95376986 RVNTWHOUUIULNV-FQEVSTJZSA-N 344.499 3.704 0 50 EHAA Cc1ccc([C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)C[C@H]2N(C)C)cc1 95520393 QGDCAFYXDSRLDL-PZJWPPBQSA-N 347.462 3.646 0 50 EHAA Cc1cn2c(CCC(=O)N[C@@H]3C[C@@H]3c3ccccc3C)csc2n1 156092595 YJHVAYDRQIYJGO-IAGOWNOFSA-N 339.464 3.618 0 50 EHAA COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c2ncccc12 170597932 HZYMAHMTGHRBFN-UHFFFAOYSA-N 348.811 3.698 0 50 EHAA CCC[C@H](C)c1cc(NS(=O)(=O)c2cnc3ccccc3c2)[nH]n1 170617507 JXDQWAMWAVUQKB-LBPRGKRZSA-N 344.440 3.662 0 50 EHAA C[C@H](NC(=O)N[C@H]1c2cccc(F)c2CC[C@H]1C)c1cccnc1 175319318 LCRUAWCSFWUBDQ-FHSNZYRGSA-N 327.403 3.905 0 50 EHAA Cc1nscc1C(=O)Nc1cc(F)ccc1Sc1nccn1C 179503528 MFWVEZJEIJYWMJ-UHFFFAOYSA-N 348.428 3.728 0 50 EHAA Cc1cc(N2CCO[C@H](c3cccc(Cl)c3)C2)nc(C2CC2)n1 183968055 YHQZVBOSMJQSAE-INIZCTEOSA-N 329.831 3.894 0 50 EHAA C[C@H](NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1)c1cc2ccccc2o1 188481789 ZAHDBDUFQPASAB-XLWVJDPXSA-N 328.412 3.751 0 50 EHAA CC(C)[C@H](NC(=O)C[S@@](=O)c1cccs1)c1ccc(F)cc1 194615811 RWZQIIUCWGJBJK-KSFYIVLOSA-N 339.457 3.508 0 50 EHAA CCc1ccc(-c2nc(C[S@@](=O)C3CCOCC3)cs2)cc1 194622708 PHLKFSXTRSOWMI-JOCHJYFZSA-N 335.494 3.800 0 50 EHAA CC(=O)N1CC[C@@H](N[C@@H](C)c2cccc(O)c2)c2ccc(F)cc2C1 194961036 VEXKQRSQEWGHCT-RNODOKPDSA-N 342.414 3.675 0 50 EHAA Cc1nc2ccccc2nc1NCc1ccccc1CN1CCCC1=O 219745633 XUYHBDFTMLHUCB-UHFFFAOYSA-N 346.434 3.673 0 50 EHAA Cc1cc(=O)cc(C(=O)NCc2ccc(-c3cccc(Cl)c3)o2)o1 223535834 ACMVVYANLJEWBA-UHFFFAOYSA-N 343.766 3.792 0 50 EHAA CC(C)n1cnnc1C1CCN(c2ncc(C(F)(F)F)s2)CC1 242047950 VRMVOCFBBYEFOX-UHFFFAOYSA-N 345.394 3.718 0 50 EHAA CC(C)(C)c1csc([C@@H]2CN(C(=O)c3cccc(F)c3)CCO2)n1 253392508 AMAUSAGMOAJWBO-AWEZNQCLSA-N 348.443 3.793 0 50 EHAA CC(=O)c1ccc(Cl)c(NC(=O)c2cc3ccccc3c(=O)o2)c1 253395919 VHAQGGBGMFWHBD-UHFFFAOYSA-N 341.750 3.901 0 50 EHAA C[C@H](c1nc(O)c2ccccc2n1)N1CCC[C@@H](c2ccncc2)C1 289385838 QLKPGMKLQBJIKP-GDBMZVCRSA-N 334.423 3.671 0 50 EHAA COc1cccc([C@H]2CCN2C(=O)Nc2c(C)cc(C)nc2C)c1 299786095 PDJRSTXRPDEUJT-QGZVFWFLSA-N 325.412 3.994 0 50 EHAA Cc1cc(C)c(NC(=O)N2CCO[C@H](c3ccccc3F)C2)c(C)n1 331924318 VRSZSENGCAECQF-KRWDZBQOSA-N 343.402 3.751 0 50 EHAA CCO[C@H]1CCN(C(=O)Cc2csc(-c3ccccc3)n2)C[C@H]1C 408519913 REHPHKCCIDWLBB-PBHICJAKSA-N 344.480 3.626 0 50 EHAA CCc1oc(C(=O)N[C@@H](C)Cc2ccsc2)cc1CN1CCCC1 426597348 DDZPKGAZQLBFHB-AWEZNQCLSA-N 346.496 3.860 0 50 EHAA O=C(NCC1(Cn2cccn2)CC1)[C@@H](c1ccccc1)C1CCCC1 534577693 NLVVESISMYYLLW-IBGZPJMESA-N 337.467 3.754 0 50 EHAA Cc1ccccc1[C@H](NC(=O)NC1(CO)CCCC1)c1ccccc1 584897543 YMPZYAXDCPCSJF-LJQANCHMSA-N 338.451 3.689 0 50 EHAA COC(=O)NCc1ccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 735260370 LRSUPYPMMQZRKH-JKSUJKDBSA-N 330.428 3.720 0 50 EHAA O=C(Cc1ccc(CO)cc1)NCC[C@H](c1ccccc1)c1ccco1 828823316 BMZAUSQDHFSSQI-HXUWFJFHSA-N 349.430 3.653 0 50 EHAA CC(C)c1nc([C@H]2CCCN(Cc3nc(C(C)(C)C)co3)C2)no1 891876280 HRIWRFIOFOFIOR-ZDUSSCGKSA-N 332.448 3.858 0 50 EHAA Cc1nc(CC2CCN(C[C@@H](OC(C)C)c3ccccc3)CC2)no1 932247674 UIIKYWGGCDWCIX-LJQANCHMSA-N 343.471 3.799 0 50 EHAA Cc1ccc2c(NC[C@@H]3CCCN(C(=O)C4CC4)C3)ccnc2c1C 1529158644 HODDLTRVVFRCKI-INIZCTEOSA-N 337.467 3.912 0 50 EHAA N[C@@H]1CC[C@@H](n2ccnc2-c2nc(-c3ccc(F)cc3)cs2)C1 1857676757 LUPKRYYWPSXFRU-ZIAGYGMSSA-N 328.416 3.865 0 50 EHAA CN(C)CCCOc1cccc(-c2nccn2C2(C3CC3)CC2)c1 1857677724 BETXSRSKCWYAOW-UHFFFAOYSA-N 325.456 3.780 0 50 EHAA CCN1CCC(CCn2ccnc2-c2ccnn2-c2ccccc2)CC1 1857681471 KQZAODJGUXVVHV-UHFFFAOYSA-N 349.482 3.858 0 50 EHAA O=C(O)c1csc([C@@H]2CCCN(Cc3coc4ccccc34)C2)n1 1875283081 FNAPRCLCBMIZBB-GFCCVEGCSA-N 342.420 3.967 0 50 EHAA C[C@@H](CCc1ccccc1)CN1CCC(c2cc(C(=O)O)on2)CC1 1875283381 QBKCLURLKPAOHY-HNNXBMFYSA-N 342.439 3.821 0 50 EHAA O=C(Nc1ccc2c(c1)CCCC2)[C@H]1CC(c2ccc(F)cc2)=NO1 1875346028 QOSUJBKGUGYWIK-LJQANCHMSA-N 338.382 3.836 0 50 EHAA CN(C)[C@@H]1CCc2cc(NC(=O)CCn3ccc4cccnc43)ccc21 2325773499 JBFIYVVIQIIZFB-LJQANCHMSA-N 348.450 3.614 0 50 EHAA CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 134975 JSUPWIQBQWZEHY-OAQYLSRUSA-N 337.419 3.637 0 50 EHAA COc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)c(OC)c1 183686 HKVYACAWBBXCSW-UHFFFAOYSA-N 348.402 3.946 0 50 EHAA CC(=O)c1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 331205 FNTXGFZANRCKQO-UHFFFAOYSA-N 346.839 3.598 0 50 EHAA COc1ccc(-c2cc(C(=O)Nc3cccnc3Cl)no2)cc1 423654 JUVYNNGRXWZMPP-UHFFFAOYSA-N 329.743 3.651 0 50 EHAA CCc1cccc(NC(=O)[C@@H](C)[C@H]2Sc3ccccc3NC2=O)c1 1060374 AUDRKKHNXZBMMX-YVEFUNNKSA-N 340.448 3.937 0 50 EHAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1O 1062746 MLMIGKIYFSTNAT-UHFFFAOYSA-N 333.800 3.653 0 50 EHAA Fc1ccc(NC(=S)N2CCN(c3ccccc3Cl)CC2)cc1 4748932 RVUMXNATMHBOAE-UHFFFAOYSA-N 349.862 3.998 0 50 EHAA COc1ccc(CC[C@H](C)NCc2ccc(OC)cc2OC)cc1 4986639 FYPPFUQKKVLZNH-HNNXBMFYSA-N 329.440 3.823 0 50 EHAA CCOC(=O)C1CCN(CCOc2cc(C(C)C)ccc2C)CC1 6702126 BWOGMYHWIMBCEU-UHFFFAOYSA-N 333.472 3.772 0 50 EHAA COc1ccc(Cl)cc1C(=O)N1CCN(c2ccccc2C)CC1 7185350 SPICKYATNWUDSE-UHFFFAOYSA-N 344.842 3.619 0 50 EHAA Cc1ccc(OCC(=O)Nc2ccccc2OC[C@H]2CCCO2)cc1 10155815 DATDMZFTWBHVFP-QGZVFWFLSA-N 341.407 3.570 0 50 EHAA Cc1occc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 225507327 VFBARXJHXBAHOY-HIFRSBDPSA-N 339.313 3.555 0 50 EHAA Fc1ccc(CN(Cc2cccc3c2OCO3)C[C@@H]2CCCO2)cc1 55198837 IWRRRGDPFHCXLM-SFHVURJKSA-N 343.398 3.736 0 50 EHAA Fc1cc(Br)c(I)cc1Cl 67796570 VJINSLCFCXWQRK-UHFFFAOYSA-N 335.341 3.846 0 50 EHAA COC(=O)c1cc(Cl)c(Br)c(Br)c1 36532939 MJJJFGFUOKAVAN-UHFFFAOYSA-N 328.387 3.652 0 50 EHAA CC(C)(C)C[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1cccnc1 65533846 LSYPOGAFXAYQPB-SFHVURJKSA-N 349.438 3.570 0 50 EHAA Cc1ccccc1-c1cccc([C@@H]2CC(=O)NCc3nc(N)sc32)c1 65407228 TWVIEZUMCVTNCL-INIZCTEOSA-N 349.459 3.853 0 50 EHAA Cc1noc(C)c1S(=O)(=O)N1CCCCC[C@@H]1c1cccs1 35561593 OOWTWEUSQDXFTG-CYBMUJFWSA-N 340.470 3.659 0 50 EHAA CCn1ncc([C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)on2)c1C 2800745 FIVYUYNSTDVLHR-CYBMUJFWSA-N 338.411 3.666 0 50 EHAA CC[C@H](Cc1ccccc1)N(C)C(=O)/C=C/c1ccc(C(=O)O)cc1 328595368 SKGIWZSEFNLFRJ-FIIODCPWSA-N 337.419 3.878 0 50 EHAA CC(C)c1cnc(CN2CCC[C@@H](Nc3ccc(=N)[nH]c3)CC2)s1 328646634 STTVOLSSWXHSNS-CQSZACIVSA-N 345.516 3.541 0 50 EHAA O=S(=O)(NCc1cccc(Cl)c1)c1ccc2ccccc2c1 5778479 CJSYRTXFZZTCSE-UHFFFAOYSA-N 331.824 3.972 0 50 EHAA O=C(c1ccc(OC2CCCCC2)cc1)N1CC[C@@]2(CN=C(O)C2)C1 329914855 YAQUOCCEIMSDHL-HXUWFJFHSA-N 342.439 3.591 0 50 EHAA C[C@H](O)CN(Cc1csc(-c2ccccn2)n1)c1ccccc1 357961399 RTDTYHZRUMBQQZ-AWEZNQCLSA-N 325.437 3.593 0 50 EHAA CC(C)Cc1ccc(C(=O)C2CCN(C(=O)c3ccon3)CC2)cc1 240465820 GALOQORQLJPXSQ-UHFFFAOYSA-N 340.423 3.608 0 50 EHAA C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CCC1=O 240555607 GWPLDLZVBZFSJB-IIMNLJJBSA-N 326.223 3.534 0 50 EHAA Cc1cc(NC(=O)c2cn(C(C)(C)C)nn2)cc(C(F)(F)F)c1 241173068 KFTHTMKTAQLGME-UHFFFAOYSA-N 326.322 3.613 0 50 EHAA O=C(Cc1c[nH]c2ncccc12)Nc1cccc(CN2CCCCC2)c1 155923517 JERDWJXPDRBDFS-UHFFFAOYSA-N 348.450 3.730 0 50 EHAA CCc1nc([C@H](C)NS(=O)(=O)c2cc(C)c(F)c(C)c2)cs1 173140200 BWBZKKFEHQHOFW-NSHDSACASA-N 342.461 3.501 0 50 EHAA Cc1nc(CC(C)C)c(C(=O)Nc2ccc3c(c2F)CCNC3)s1 261691305 IHUMRWXAQRBJBI-UHFFFAOYSA-N 347.459 3.687 0 50 EHAA Cc1occc1C(=O)Nc1cc(NC(=O)N2CCCCO2)ccc1F 338402229 TVYKUXUFJBOSCF-UHFFFAOYSA-N 347.346 3.539 0 50 EHAA O=C(O)C1CCC(NC[C@@H](O)c2ccc(-c3ccccc3)cc2)CC1 263383587 CJLKEZXREXRTJL-SOAGJPPSSA-N 339.435 3.620 0 50 EHAA O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1C1CC1 40397273 AUZSQRSJXJXPQJ-UHFFFAOYSA-N 336.782 3.700 0 50 EHAA COc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1CCn1ccnc1 82092053 LPCYPDDHWYDDAE-HNNXBMFYSA-N 347.846 3.630 0 50 EHAA O=C(NCCc1ccccn1)N1CCC[C@@H](c2ccc(Cl)cc2)C1 426372531 VQUXZVLBCJTKNK-MRXNPFEDSA-N 343.858 3.867 0 50 EHAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 195752830 JQGWOWURTIHLPQ-LEZSPFLNSA-N 341.410 3.911 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CC=C(c4ccccc4)CC3)[nH]n2)o1 91254326 UYTQEFCZEROUTD-UHFFFAOYSA-N 333.391 3.908 0 50 EHAA CCn1nc(C)c([C@H](C)NC(=O)Nc2ccc3ncccc3c2)c1C 95527368 SZTQRMQNIFJXQI-LBPRGKRZSA-N 337.427 3.951 0 50 EHAA CN(C(=O)Nc1ccc2c(c1)nnn2C)[C@H]1CCCc2ccccc21 97823558 IQUOPKFZDXSGPD-KRWDZBQOSA-N 335.411 3.510 0 50 EHAA Cc1ncc(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)c(C)n1 179801274 IFKKXYOJQLMZKC-UHFFFAOYSA-N 329.448 3.595 0 50 EHAA C[C@@H](O)c1cccc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1 95510750 GIRNFYUXBMVXON-CYBMUJFWSA-N 332.831 3.836 0 50 EHAA CN(C)Cc1ccc([C@@H]2CCCN2C(=O)Nc2cncc(F)c2)cc1 96148691 RKRRXUBHOKMAFF-SFHVURJKSA-N 342.418 3.651 0 50 EHAA CC(C)c1cc(CN(C)C(=O)c2cccc([C@@H]3CCCNC3)c2)no1 95388590 KCCGTVSBZNBDKO-QGZVFWFLSA-N 341.455 3.537 0 50 EHAA Oc1ccc(Cl)c(CN2CC[C@@H](N3CCCCC3)C2)c1Cl 97572245 HBPWKQPWRWLLJQ-GFCCVEGCSA-N 329.271 3.759 0 50 EHAA CNc1ncc(-c2nc(C3(c4ccccc4)CC3)nn2C(C)(C)C)cn1 96137941 FFSRGRGUPPBZDZ-UHFFFAOYSA-N 348.454 3.612 0 50 EHAA Cc1cc(C)n([C@H]2CCN(C(=O)c3cccc(-c4ccccn4)c3)C2)n1 299762109 KYZJZYUQPRDCJO-IBGZPJMESA-N 346.434 3.649 0 50 EHAA COCCN(Cc1ccc(CC(C)C)s1)Cc1c(C)nn(C)c1C 824405402 BDOTTWJHDMJVKX-UHFFFAOYSA-N 349.544 3.946 0 50 EHAA CCCC[C@H](c1cccnc1)N(C)C(=O)NCc1nnc(CC)s1 584885714 IQASZEQYGALRMS-CQSZACIVSA-N 347.488 3.568 0 50 EHAA O=C(c1ccncc1Br)N1CC[C@H](c2ccc(F)cc2)C1 268681635 OMCNGEKAYBWAGL-LBPRGKRZSA-N 349.203 3.613 0 50 EHAA CC(C)c1cc(Br)ccc1NC(=O)NCCC[C@@H](C)O 278868223 RPEXSWRRPGPELI-LLVKDONJSA-N 343.265 3.855 0 50 EHAA Cc1cscc1C(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 275686235 MOZPTYXUYKRSCC-MRXNPFEDSA-N 346.521 3.903 0 50 EHAA CCc1ccc([C@H]2CCCCCN2C(=O)CCc2ccnn2C)o1 186478680 UFAMTSCQTOAOGK-QGZVFWFLSA-N 329.444 3.652 0 50 EHAA CCc1cc(NC(=O)N[C@H]2CCO[C@H](c3cccnc3)C2)ccc1C 652842239 UGNDPNCNFJXGGK-OALUTQOASA-N 339.439 3.994 0 50 EHAA O=C(Cc1ccc(O)c(F)c1)N(C/C=C/c1ccccc1)C1CC1 1506420063 SFQBMDHVNCAGQR-QPJJXVBHSA-N 325.383 3.778 0 50 EHAA CSc1nnc(-c2cccc(NC(=O)c3ccccc3C)c2)n1C 5711639 RBVURPBTQMKLBH-UHFFFAOYSA-N 338.436 3.765 0 50 EHAA CCOc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1 13131819 LZHAFSAWFPSVOP-ZWKOTPCHSA-N 338.386 3.962 0 50 EHAA aggregator N[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)C1 158570230 DDLSCKGFEBWKFR-OAHLLOKOSA-N 330.815 3.696 0 50 EHAA Cc1noc([C@@H]2CCCN2C(=O)c2c(C)sc3ccccc23)n1 1857722700 OEASCHGJJZCHKK-ZDUSSCGKSA-N 327.409 3.878 0 50 EHAA COc1c(Cl)cccc1-c1noc(C2CCN(C3CC3)CC2)n1 904184082 AILCFRMTCKIVBA-UHFFFAOYSA-N 333.819 3.740 0 50 EHAA Fc1ccc(CNNC(=S)N[C@@H]2CCCc3ccccc32)c(F)c1 952876373 OIVMJLWVPIGERB-QGZVFWFLSA-N 347.434 3.511 0 50 EHAA C[C@H]1C[C@H](c2nc(-c3ccc(F)cc3Br)no2)CCO1 952992848 DQARRMYMWMODRP-DTWKUNHWSA-N 341.180 3.921 0 50 EHAA COC(=O)c1cncnc1NCC(c1ccccc1)c1ccccc1 1306912643 MWHIKATZEFAYHC-UHFFFAOYSA-N 333.391 3.507 0 50 EHAA CC[C@H](CCO)CN[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1775998039 QTADBECTLMZERM-NVXWUHKLSA-N 348.487 3.871 0 50 EHAA O=C(CCN1CC=C(c2cccs2)CC1)N1CCc2ccccc21 2325732871 UCKVOSBQFTWLAK-UHFFFAOYSA-N 338.476 3.817 0 50 EHAA Cc1ccc([C@@H](CN(C)C)NC(=O)c2cnc3ccsc3c2)cc1 2325855673 KPOYTGJVDZUZGV-QGZVFWFLSA-N 339.464 3.637 0 50 EHAA CCc1ccc(O)c(C(=O)O[C@H](C(=O)OC)c2ccccc2Cl)c1 2325874914 BDGUYCCJWRBVHC-INIZCTEOSA-N 348.782 3.679 0 50 EHAA Cc1ccc(O)c(C(=O)CC(=O)c2cccc(Br)c2)c1 101097829 XWTSVSJHFPTFRY-UHFFFAOYSA-N 333.181 3.919 0 50 EHAA COc1ccc(OC)c(NC(=O)c2ccc(Br)cc2)c1 272248 PFUPEKZERAFGIS-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA O=C(Nc1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1 386888 AJPRWVRRJGGQOG-UHFFFAOYSA-N 333.794 3.833 0 50 EHAA COCc1cc(C)nc2sc(C(=O)Nc3ccccc3C)c(N)c12 464976 JFRZPUDDBCIYEB-UHFFFAOYSA-N 341.436 3.894 0 50 EHAA CCOC(=O)c1cccc(NC(=O)Nc2ccc(OCC)cc2)c1 611688 SRUJBYCQPLOBLN-UHFFFAOYSA-N 328.368 3.906 0 50 EHAA COc1ccc(-c2cnccc2CN2CCC[C@@H](OC)C2)cc1F 2356134710 YTOCVTRZBNCMMM-MRXNPFEDSA-N 330.403 3.507 0 50 EHAA CCSc1nc2c(c(=O)n1C)C1(CCCC1)Cc1ccccc1-2 2483726 FPWBNDCJQLFKPF-UHFFFAOYSA-N 326.465 3.927 0 50 EHAA biogenic CCCN1CCC[C@]2(CCCN2C(=O)c2cccc(Cl)c2C)C1=O 2356148535 DVVGYICCJALZKC-IBGZPJMESA-N 348.874 3.656 0 50 EHAA CC(C)C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1 4865877 OBBBBTSUJKNFPO-UHFFFAOYSA-N 339.892 3.799 0 50 EHAA Clc1cccc([C@H](Cc2cccnc2)NCC2=CCCOC2)c1 348208978 VRSQMWACOIHDAR-IBGZPJMESA-N 328.843 3.955 0 50 EHAA Cc1cc(C)c(NC(=O)c2cc(-c3cccnc3)on2)c(Cl)n1 225434470 KMQLUVUOTMTLNE-UHFFFAOYSA-N 328.759 3.654 0 50 EHAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H]1c1ccccn1 55514774 HAIXPZNKHLBDTG-IBGZPJMESA-N 347.418 3.951 0 50 EHAA CCc1nn(-c2ccccc2)c(NC(=O)[C@@H](CC)n2cccn2)c1C 63857331 NEXNVBMPCHHBMX-QGZVFWFLSA-N 337.427 3.529 0 50 EHAA CC[C@@H](Oc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 3644864 WTPAXDRULIZRDJ-BBJBPXSTSA-N 337.847 3.666 0 50 EHAA in-vitro Cc1[nH]c([C@@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccccc1F 23311996 MWRIEMLYXXUQRK-CYBMUJFWSA-N 327.403 3.783 0 50 EHAA COc1cc2c(cc1O)NC(=O)C[C@@H]2c1c[nH]nc1C1CCCCC1 67896443 XVACLYPNDGOULG-LBPRGKRZSA-N 341.411 3.646 0 50 EHAA Cc1ncoc1C(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 12318867 SISWGQQOEOGGBV-QGZVFWFLSA-N 327.428 3.823 0 50 EHAA CSc1cccc(N(C(=O)c2cccnc2)C2CCN(C)CC2)c1 328587030 BWBYEBSJMCTVFS-UHFFFAOYSA-N 341.480 3.545 0 50 EHAA C[C@H](O)c1ncc(C(=O)Nc2ccc(-c3nccs3)cc2)s1 253406023 VAIVOXCOJDSSBL-VIFPVBQESA-N 331.422 3.572 0 50 EHAA CSc1cccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)c1C 253420352 RGCIAMKPFAOJDL-CQSZACIVSA-N 330.457 3.610 0 50 EHAA COC(=O)[C@]12CC=CC[C@@]1(C(=O)O)CCc1ccc3ccccc3c12 71785965 KVGVJVPOIGPKSI-LEWJYISDSA-N 336.387 3.618 0 50 EHAA Cc1ccc(C2CCN(C[C@H](O)c3c(F)cccc3F)CC2)cn1 360998182 JBCGPIWMCPSADA-SFHVURJKSA-N 332.394 3.581 0 50 EHAA CC(C)(C)c1cc(-c2nccn2Cc2nc(-c3ccccc3)no2)n[nH]1 71746017 QZMNYVGJKNHPLL-UHFFFAOYSA-N 348.410 3.669 0 50 EHAA O=C(c1cccc2ccccc12)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 365045649 PAVFNBDZJDWDBE-QFIPXVFZSA-N 342.398 3.576 0 50 EHAA CC[C@H](CNC(=O)CN(C)[C@@H]1CCC[C@H]1SC)c1ccccc1 241515546 OGFANUUYNQTQGY-KBAYOESNSA-N 334.529 3.512 0 50 EHAA CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc2nccnc12 72143445 FNOSVKFGJCBHOY-UHFFFAOYSA-N 347.397 3.587 0 50 EHAA CCCOc1ccc(CNC(=O)CCCc2ccccn2)c(C)c1 242263351 XYHOMKMTVAGINX-UHFFFAOYSA-N 326.440 3.818 0 50 EHAA CC(C)(C)[C@@H]1OCC[C@H]1c1noc(-c2coc3c2C(=O)CCC3)n1 333603305 QTLZHFGYVZGDQN-MEBBXXQBSA-N 330.384 3.767 0 50 EHAA CC[C@H](NC(=O)c1ccc(-c2ccccc2OC)cc1)c1ccnn1C 219352146 RNKCVVMYGDCKBL-SFHVURJKSA-N 349.434 3.977 0 50 EHAA Cc1ccc(F)cc1C(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 77303963 BQLJHZLROGNZJC-FQEVSTJZSA-N 341.426 3.590 0 50 EHAA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccnc2cc(Cl)ccc12 284453712 BVSHYUONDMYZFZ-IPELMVKDSA-N 346.858 3.645 0 50 EHAA OC[C@@H](CNC1CC2(CCC2)C1)Cc1cccc(OC(F)(F)F)c1 459424062 KRAPWMOLDBRKNU-CQSZACIVSA-N 343.389 3.659 0 50 EHAA Cc1nc([C@H](C)N(C)C(=O)c2cccc(-c3ncc[nH]3)c2)c(C)s1 82138950 YLENHZVEGCAAQP-NSHDSACASA-N 340.452 3.983 0 50 EHAA CC(C)CN(Cc1ccsc1)C(=O)NC[C@@H](C)Oc1cccnc1 426485590 KGCOIDXYXFOPHD-OAHLLOKOSA-N 347.484 3.778 0 50 EHAA Cc1cnc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)o1 291805948 QWURBCLAUGHBEP-UHFFFAOYSA-N 327.359 3.623 0 50 EHAA O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCC(F)(F)CC1 179429145 HFHNPASAISFNAS-UHFFFAOYSA-N 336.382 3.687 0 50 EHAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@@H](c3ccncn3)C2)c1 97696167 YSXHHLLMLXLHEC-QGZVFWFLSA-N 347.466 3.863 0 50 EHAA Cc1[nH]c2c(C(=O)N(C)C[C@H]3CCN(C)C3(C)C)cccc2c1C 96166420 XLXDSMLMMZLMDC-OAHLLOKOSA-N 327.472 3.587 0 50 EHAA COc1ccccc1CN(Cc1ccc(F)cc1)C[C@@H]1CCOC1 244742080 OBMFFJWZTLQRMR-KRWDZBQOSA-N 329.415 3.873 0 50 EHAA CCn1ncnc1[C@H](C)NC(=O)Nc1cccc(OC2CCCC2)c1 299792433 GLSAERJRMNNPKL-ZDUSSCGKSA-N 343.431 3.502 0 50 EHAA Cc1nc(C)c(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)o1 952983967 XQBYWGKGIBZIQE-UHFFFAOYSA-N 336.395 3.692 0 50 EHAA CNC[C@@H]1CCCN(C(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)C1 269104252 HZVSJVGSPOFGMP-UELRPHRMSA-N 340.389 3.567 0 50 EHAA COc1ccc2c(c1)[C@H](C(=O)N(Cc1ccco1)c1ccccn1)CC2 408514568 QFZFOMHEOOBOBV-GOSISDBHSA-N 348.402 3.946 0 50 EHAA CCC[C@@H](C(=O)NC[C@H](N)c1ccc(F)cc1F)c1ccccc1 170676211 PTVHQEOFGYVBCP-QAPCUYQASA-N 332.394 3.665 0 50 EHAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@H]12 1857619412 CYKYBWRSLLXBOW-GACVUSGFSA-N 334.500 3.568 0 50 EHAA CCn1c([C@H](NC(=O)c2ccccc2Cl)C(C)C)n[nH]c1=S 5909235 GADVTWITFXBYBS-GFCCVEGCSA-N 338.864 3.741 0 50 EHAA Cc1ccc(CN2C[C@@H]3C[C@@H](c4ccsc4)N4CCC[C@@]34C2=O)o1 11996894 IJIKSDVXNWPXDW-IEZWGBDMSA-N 342.464 3.588 0 50 EHAA CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 13710809 YEHHFJSZASUYBH-CQSZACIVSA-N 326.396 3.668 0 50 EHAA Cc1ccccc1CN1CCC(C(=O)N2CCc3ccccc32)CC1 16606862 SVFRZFOLLXBQEB-UHFFFAOYSA-N 334.463 3.796 0 50 EHAA C[C@@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 16647863 TXQFJEOQLQWWJY-CQSZACIVSA-N 348.874 3.593 0 50 EHAA Cc1oc(-c2cccs2)nc1-c1nccn1[C@H]1CCCN(C)C1 1857673494 UKPVNMFMNQQWHF-ZDUSSCGKSA-N 328.441 3.842 0 50 EHAA C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CC1OCCCO1 330031762 CWHJJHUFRGJFHU-SNVBAGLBSA-N 344.238 3.592 0 50 EHAA Cc1cc(F)ccc1-c1ccc(C(=O)N2CC[C@H](N)C[C@@H]2C)cc1F 237523908 VCMZOZSEJHVTOC-BBRMVZONSA-N 344.405 3.892 0 50 EHAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3cccc4[nH]ccc34)C1)CC2 1704325687 POAPBGCSAJOZSV-OAQYLSRUSA-N 332.451 3.746 0 50 EHAA Cn1cc([C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)ccn3)C2)cn1 935461817 KBMGYZFUIIVYPK-GOSISDBHSA-N 346.434 3.502 0 50 EHAA O=C(NC[C@H]1CC[C@]2(C1)CC2(F)F)c1c[nH]nc1-c1ccccc1 1875298936 SNLUNGSBNIHVMR-SJCJKPOMSA-N 331.366 3.632 0 50 EHAA c1ccc2nc(-c3noc(C4CCN(CC5CC5)CC4)n3)ccc2c1 1875280834 BCOXGEYBPRJWRT-UHFFFAOYSA-N 334.423 3.874 0 50 EHAA CC(C)c1ccc(-c2noc(-c3ccc4c(c3)N(C)C(=O)CO4)n2)cc1 1875353746 FHRZOANFQWVUOR-UHFFFAOYSA-N 349.390 3.882 0 50 EHAA CCC[C@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccccc1 18083921 DCIRBJLVXMMCBR-XHDPSFHLSA-N 331.441 3.962 0 50 EHAA Cc1ccc([C@@H](OC[C@@H](O)CNCC2(F)CC2)c2ccccc2)cc1 2325766176 ROGWEIJKBSEELM-PMACEKPBSA-N 343.442 3.554 0 50 EHAA Cn1cc(-c2n[nH]cc2CN2CCC(=Cc3cccs3)CC2)cn1 2325775308 VFCXNHBRPRRCGM-UHFFFAOYSA-N 339.468 3.551 0 50 EHAA N[C@@H](CC(=O)Nc1cnc(-c2cccc(F)c2)nc1)C1CCCCC1 2325853455 QBGSSGFKLRIMPX-KRWDZBQOSA-N 342.418 3.519 0 50 EHAA NCC1(c2ccc(C(=O)NCC[C@H]3CCc4ccccc43)cc2)CC1 2325864394 NJKUCLKTZKCZNV-QGZVFWFLSA-N 334.463 3.527 0 50 EHAA CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccs2)NC(=O)N1 70887 HPZMBTRYZLUYIF-AWEZNQCLSA-N 347.827 3.668 0 50 EHAA Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 318824 ZYDGSFZNYCQYAX-UHFFFAOYSA-N 340.423 3.541 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 4998829 FQJLSIVOIFZGCG-UHFFFAOYSA-N 346.814 3.732 0 50 EHAA COCCSc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1 9426415 XKPSIHGKIPHNMD-UHFFFAOYSA-N 344.436 3.636 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N3Cc4cnc(CC)nc4C3)c2c1 67856254 IZTNNDJGMAKFNR-UHFFFAOYSA-N 346.434 3.614 0 50 EHAA COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 15072499 KGQXAXOQLYUJJL-HNNXBMFYSA-N 344.842 3.839 0 50 EHAA CC1(C)C[C@H](O)CCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1 424870622 LGJWGEBNAOMTBR-IFOPZJACSA-N 347.421 3.611 0 50 EHAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)COC(C)C)CC2)c1 67770518 JHNZIUXWIAMWCX-UHFFFAOYSA-N 341.455 3.516 0 50 EHAA C[C@H](C(=O)Nc1ccc(Nc2ccccc2)nc1)C1CCOCC1 125898517 VVQVJNVWUQMWHJ-AWEZNQCLSA-N 325.412 3.826 0 50 EHAA CCN(C(=O)c1cc(C(C)=O)cn1C)c1cccc(Br)c1 253425659 UBPDMWODMIBWSX-UHFFFAOYSA-N 349.228 3.657 0 50 EHAA CCOC(=O)C[C@@H]1CCCCN1Cc1cncn1C1CCCCC1 72151060 OTKAOINAZXBSSL-KRWDZBQOSA-N 333.476 3.696 0 50 EHAA CC(C)(NC(=O)c1sccc1Cl)c1cn(-c2ccccc2)nn1 240897296 IRXUMPSGULNSJJ-UHFFFAOYSA-N 346.843 3.647 0 50 EHAA Cc1cccnc1CN1CCN(Cc2ccccc2-c2ccco2)CC1 216087087 IGXNADXSVHHIAB-UHFFFAOYSA-N 347.462 3.968 0 50 EHAA CCCc1ncc(C(=O)N2CCC(Cc3ccccn3)CC2)s1 173607851 BXRKCYAUXMSLRB-UHFFFAOYSA-N 329.469 3.586 0 50 EHAA Cc1cccc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)n1 72411072 RTKXVGFEJFGIFG-OAHLLOKOSA-N 326.440 3.585 0 50 EHAA CC(C)Cc1cn(CC2CCN(C(=O)C3CCCCCC3)CC2)nn1 48351447 WJEAYZHEWBGPQM-UHFFFAOYSA-N 346.519 3.686 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)c(OCCCN)c1 426667421 NFKDNBUOFIAVDX-IBGZPJMESA-N 338.451 3.700 0 50 EHAA O=C(CSCC1CC1)NCc1cc(-c2ccccc2Cl)on1 426545446 ZHOKTPNUIZGGPW-UHFFFAOYSA-N 336.844 3.754 0 50 EHAA Cc1cncc(CCC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1 292469038 PMXPHCXWMVHEPJ-CABCVRRESA-N 328.378 3.902 0 50 EHAA O=C1NCCC[C@]12CCN(Cc1ccc(-c3ccccc3)s1)C2 91877017 WOJPOKFTFVTQQY-LJQANCHMSA-N 326.465 3.517 0 50 EHAA Cn1cnc2cc(C(=O)N3CCC4(CCc5ccccc54)CC3)ccc21 97446933 GTTFYMFUJUCEDW-UHFFFAOYSA-N 345.446 3.694 0 50 EHAA CC(C)(C)C(=O)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 91486761 JTCSNNZTTGXHGZ-OAHLLOKOSA-N 333.382 3.690 0 50 EHAA Cc1nc(N2NC(c3ccccc3)=NN2c2ccccc2)sc1C 35024587 ASJSXUWOFZATJM-UHFFFAOYSA-N 335.436 3.868 0 50 EHAA CCOc1c(Cl)cccc1NC(=O)N(Cc1cnn(C)c1)C1CC1 299795561 MPNRXUDYYUWPTP-UHFFFAOYSA-N 348.834 3.669 0 50 EHAA CNC(=O)CCCNC(=O)c1ccc(-c2cc(C)ccc2Cl)cc1 584887591 XOTQSRHQUVPKDX-UHFFFAOYSA-N 344.842 3.571 0 50 EHAA Cc1ccc2cc(CN3CCO[C@@H](c4ccccc4)C3)c(O)nc2c1 952987619 OUJOETKXAYOFAS-HXUWFJFHSA-N 334.419 3.822 0 50 EHAA CN1CCC[C@H](c2nnc3sc(-c4cccc5ccccc45)nn23)C1 951727076 YYKQYGHICBWCIT-AWEZNQCLSA-N 349.463 3.815 0 50 EHAA CC(C)Oc1ccc2ccccc2c1CN[C@@H]1CC=CC[C@H]1C(N)=O 952965485 DUJXALVEZWHJCP-IEBWSBKVSA-N 338.451 3.537 0 50 EHAA CC(C)Cc1cc(CNC2CCN(CCc3ccccc3)CC2)on1 952989342 UAANIQKUUFNLKS-UHFFFAOYSA-N 341.499 3.670 0 50 EHAA CC(C)Cc1ccc([C@H](C)C(=O)N2CCC(O)(C(F)F)CC2)cc1 408514677 AAHAKKNOYRXYKA-AWEZNQCLSA-N 339.426 3.607 0 50 EHAA COc1cccc(Br)c1NC(=O)CCCn1cccc1 408516526 CSPRIKSLLOIXKV-UHFFFAOYSA-N 337.217 3.678 0 50 EHAA O=C(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccccc1 185824394 HTPQZCGMAFVFGG-UHFFFAOYSA-N 346.434 3.848 0 50 EHAA CC(C)n1c([C@H]2CCCN(Cc3ccnc(N)c3)C2)nc2ccccc21 193428169 RYUMLOXPNXUZAN-KRWDZBQOSA-N 349.482 3.974 0 50 EHAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3cc(F)ccc3F)C1)CC2 1704342098 GGTSWJNYGHSKSS-LJQANCHMSA-N 329.394 3.543 0 50 EHAA Cc1ccc2c(=O)nc(Nc3nc(C)cc(-c4ccccc4)n3)[nH]c2c1 5062148 WCARDDDMQORATQ-UHFFFAOYSA-N 343.390 3.741 0 50 EHAA OC[C@]1(CCOc2ccccc2)CCCN(CCCC(F)(F)F)C1 12315969 DGJVCCKQJFWQPN-KRWDZBQOSA-N 345.405 3.873 0 50 EHAA CCn1nc(C)c(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c1C 12443435 LRGQBSDOFVKCRJ-AWEZNQCLSA-N 337.471 3.865 0 50 EHAA O=c1c2c3c(sc2ncn1C1CCCC1)C[C@H](N1CCCC1)CC3 14989465 UATXXVNCLHIZTE-CQSZACIVSA-N 343.496 3.526 0 50 EHAA CC(=O)N1c2ccccc2C(CSc2nccn2C)=CC1(C)C 1857526147 QKRNBALJTFKDIB-UHFFFAOYSA-N 327.453 3.741 0 50 EHAA FC(F)(F)O[C@@](F)(Br)C(F)(F)Br 4329294 YFDBNXBLJICGCE-UWTATZPHSA-N 325.828 3.529 0 50 EHAA in-vitro Cc1cccc(NC[C@H]2CCCN2C(=O)c2cc[nH]c2C(C)C)n1 375756908 KDANCDQEPWJWSF-OAHLLOKOSA-N 326.444 3.558 0 50 EHAA C[C@H]1CN(CCOc2ccc(Cl)cc2Br)C[C@@H](C)O1 16247809 XVICSHBDGZJXDI-PHIMTYICSA-N 348.668 3.591 0 50 EHAA O=C1C[C@@H](c2ccccc2Br)c2cc3c(cc2N1)OCO3 94935 DYWNELZDNFLKEV-JTQLQIEISA-N 346.180 3.652 0 50 EHAA CCc1c(C)nc(SCCOc2ccc(OC(C)C)cc2)[nH]c1=O 18212769 DHZHHJMXXHXRDE-UHFFFAOYSA-N 348.468 3.599 0 50 EHAA CN(C)C[C@@H](Cc1nc(-c2cc3ccccc3o2)no1)C(F)(F)F 2325816663 RFRAPPGOHKKXTI-LLVKDONJSA-N 339.317 3.765 0 50 EHAA CC[C@H]1CN(c2cc(=N)[nH]c3ccccc23)CCN1Cc1ccccc1 2325819209 KNMGIBLRIGNRRZ-SFHVURJKSA-N 346.478 3.748 0 50 EHAA O=C(Cc1ccc2cccnc2c1)Nc1ccnc(N2CCCCC2)c1 888577465 HALNCOAHIBZPLN-UHFFFAOYSA-N 346.434 3.801 0 50 EHAA Cc1ccc(OC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1 45391 SWMNQRHGGAIJCQ-UHFFFAOYSA-N 339.269 3.771 0 50 EHAA O=Cc1ccccc1OCc1cccc(I)c1 117156 HEXLFBFHKHEYFD-UHFFFAOYSA-N 338.144 3.683 0 50 EHAA O=C(c1ccccc1)[C@@H]1Oc2ccccc2OC[C@@]1(O)c1ccccc1 188987 SPTUWAPEHOJTII-FCHUYYIVSA-N 346.382 3.597 0 50 EHAA Clc1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)cc1 352622 UKCZSEHKOUXPBJ-UHFFFAOYSA-N 327.819 3.518 0 50 EHAA COc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 425654 PFYMCARURLTYCW-UHFFFAOYSA-N 342.782 3.934 0 50 EHAA Cc1c(C(=O)N2CCC[C@]3(CCC[C@H]3O)C2)[nH]c2ccc(Cl)cc12 2356142741 FNLWWZWBYJZXJE-VQIMIIECSA-N 346.858 3.897 0 50 EHAA O=C(NCCc1ccccc1)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl 2887830 LOYUFJCQRNVACI-HOTGVXAUSA-N 334.246 3.933 0 50 EHAA Nc1c(C(=O)Nc2nccs2)sc2nc3c(cc12)CCCCC3 2905795 AWCYWCZHKGHSAL-UHFFFAOYSA-N 344.465 3.856 0 50 EHAA CCN(CCNC(=O)Nc1cc(Cl)ccc1OC)c1ccccc1 3086047 DFUMZWCJBMLFGU-UHFFFAOYSA-N 347.846 3.997 0 50 EHAA O=C1OC[C@H]2CN(c3cc(-c4ccccc4)nc4ccccc34)C[C@@H]12 2356169747 YFMRDWISOREMEE-NVXWUHKLSA-N 330.387 3.511 0 50 EHAA CCCCCC(=O)Nc1ccc(N2CCN(C(=O)CCC)CC2)cc1 4058248 FJSCTXFWUSZZHC-UHFFFAOYSA-N 345.487 3.654 0 50 EHAA COc1ccc(CNC23CC4CC(CC(C4)C2)C3)c(OC)c1OC 4685559 LCCILLJWJOJHJU-UHFFFAOYSA-N 331.456 3.771 0 50 EHAA C[C@@H](NCCC1CCN(C)CC1)c1ccc2c(c1)COC(C)(C)O2 225407976 PDWWYRSJTSHLNJ-OAHLLOKOSA-N 332.488 3.714 0 50 EHAA CCc1nn(C)c(Cl)c1CN(Cc1ccccc1OC)C1CC1 55253579 NADUXXGSZGVRRP-UHFFFAOYSA-N 333.863 3.809 0 50 EHAA CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(N2CCCCC2)cn1 112817987 UTQKSQHRRPOHEZ-QGZVFWFLSA-N 331.460 3.748 0 50 EHAA Cc1cc(C(F)(F)F)cc(N2Cc3cnc(CC(C)C)nc3C2)n1 67842961 UGYHNHRYIOXRQN-UHFFFAOYSA-N 336.361 3.918 0 50 EHAA CCc1ocnc1C(=O)N(C)Cc1csc(-c2ccccc2)n1 67678942 PGFKQWHGNBOWIL-UHFFFAOYSA-N 327.409 3.633 0 50 EHAA CCC(CC)NC(=O)c1cc(COc2ccc3ncccc3c2)on1 67880583 GPPSYZVYDRJBCV-UHFFFAOYSA-N 339.395 3.720 0 50 EHAA O=C([C@@H]1CCN(C2CCCCC2)C1)N1CCc2ccc(Cl)cc2C1 124416685 FUDFSAVIUWLSAK-MRXNPFEDSA-N 346.902 3.879 0 50 EHAA COc1cc2c(cc1OC)-c1nnc(-c3cccs3)n1C(C)(C)C2 104127 IONTWORZCRVBQQ-UHFFFAOYSA-N 341.436 3.982 0 50 EHAA aggregator,biogenic CC[C@@H]1CN(Cc2cc3ccccc3nc2OC)CCN1C(C)C 72145199 BNNZAAYEZCWGSR-GOSISDBHSA-N 327.472 3.548 0 50 EHAA COC(=O)c1ccc(/C=C/C(=O)N(C)c2ccc3cc[nH]c3c2)cc1 328594303 YKYYBOONOGBGBU-BJMVGYQFSA-N 334.375 3.631 0 50 EHAA Cc1ccc(N2C(=O)[C@@H]3CS[C@H](c4cccs4)N3C2=O)cc1 4727150 NTKJIXNSCQKXIG-SWLSCSKDSA-N 330.434 3.639 0 50 EHAA Cc1n[nH]c(-c2ccc(-n3ccnc3-c3cc(CC(C)C)[nH]n3)cc2)n1 71714789 PGTJAJXARSLAJM-UHFFFAOYSA-N 347.426 3.554 0 50 EHAA Cc1ccc(-c2nccn2[C@@H](CCn2cncn2)c2ccccc2)o1 71747053 ZOESOUMAFTXCHE-KRWDZBQOSA-N 333.395 3.723 0 50 EHAA CC1CCN(CCCc2noc([C@@H](C)Sc3ccccn3)n2)CC1 127079596 QXAXNJOWVUFKTQ-OAHLLOKOSA-N 346.500 3.982 0 50 EHAA CC(C)n1c([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cccnc2)nc2ccccc21 241965729 UVEAGOGSNYFJTN-BHYGNILZSA-N 348.450 3.993 0 50 EHAA O=C(c1ccccc1)N1CC[C@@H](CN2CCCc3ccccc3C2)C1 225770503 LZPUVCVYPYOPEU-SFHVURJKSA-N 334.463 3.597 0 50 EHAA CC(C)c1ccc([C@H](NC(=O)c2csc(CN)n2)C(C)C)cc1 178343757 QUSPGRXQABRZMF-QGZVFWFLSA-N 331.485 3.852 0 50 EHAA CN(C)Cc1ccnc(NC(=O)c2ccc(-c3ccccc3F)o2)c1 176944144 LURGALKAGPHZBM-UHFFFAOYSA-N 339.370 3.795 0 50 EHAA Cc1nnc(CN(C)C(=O)c2cc(C)c(-c3ccccc3)s2)o1 426388411 MPDXWKQYHFWJGB-UHFFFAOYSA-N 327.409 3.687 0 50 EHAA COc1cccc(OC[C@H]2CCCN(c3nnc(C(C)(C)C)o3)C2)c1 92045735 PBBSTZHHCXHGDN-AWEZNQCLSA-N 345.443 3.671 0 50 EHAA O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCc2ccccc21 426409266 YXDHSCGGJOBWCI-HXUWFJFHSA-N 338.426 3.641 0 50 EHAA COc1ccccc1OCCN1CCC[C@H](c2nccn2C(C)C)C1 95363720 NHQLUZNIKDCMNK-KRWDZBQOSA-N 343.471 3.731 0 50 EHAA Cc1ccc2nc(CNC(=O)N3CCCC[C@H]3c3cccnc3)[nH]c2c1 426373556 BFPBEXYHSBXYMC-SFHVURJKSA-N 349.438 3.703 0 50 EHAA CN1CCC[C@@H]1CCn1cc(-c2cccc(Cl)c2Cl)nn1 92037582 JKSJISVVQODKHM-LLVKDONJSA-N 325.243 3.736 0 50 EHAA Cc1[nH]c2c(F)cccc2c1CC(=O)N[C@@H](C)Cc1ccsc1 91830177 MOSXUXUNFSVWFV-NSHDSACASA-N 330.428 3.967 0 50 EHAA CCOc1ccc(NC(=O)NCCCn2nccc2C2CC2)c(F)c1 96160989 COMBNLWNUQKLPG-UHFFFAOYSA-N 346.406 3.510 0 50 EHAA CCO[C@H](C)CNC(=O)N(Cc1ccccc1)Cc1cccc(C)n1 534675259 CKKLVBZXMSWROI-QGZVFWFLSA-N 341.455 3.527 0 50 EHAA N[C@@H]1CCN(C(=O)c2cccc(-c3ccccc3C(F)(F)F)c2)C1 299763332 ZEJMULSSFYOTQD-CQSZACIVSA-N 334.341 3.546 0 50 EHAA CC(=O)c1cc(CC(=O)Nc2cccc(CN3CCCC3)c2)cs1 952988772 PFMVFJDZIDMQIZ-UHFFFAOYSA-N 342.464 3.728 0 50 EHAA Cc1cccc(NC(=O)CCNCc2c(Cl)cncc2Cl)c1 952986692 JTFHPZOZIUHSOA-UHFFFAOYSA-N 338.238 3.815 0 50 EHAA O=C(c1cc(Cl)c[nH]1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 275508928 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Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3Cl)CC2=O)c1 1072441 PRFVDDURLRUWPB-ZDUSSCGKSA-N 328.799 3.640 0 50 EHAA CC1(COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)CCCCC1 1481754 YZFWTZACSRHJQD-HNNXBMFYSA-N 333.453 3.930 0 50 EHAA in-man CCOc1ccccc1-c1csc(NC(=O)c2cccnc2)n1 1791408 KJHZBVIYCVDDQA-UHFFFAOYSA-N 325.393 3.856 0 50 EHAA Cc1cc(F)ccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 2739569 JMCMXAVPPJZWDZ-UHFFFAOYSA-N 341.308 3.866 0 50 EHAA Cc1nn(C)c(C(=O)N[C@H](C)c2cccc(-n3cccc3)c2)c1Cl 2785967 HJOZDMVNXYTBHV-GFCCVEGCSA-N 342.830 3.664 0 50 EHAA CCn1ncc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c1C 2804087 HVHMGLUKNCABOT-LBPRGKRZSA-N 330.432 3.603 0 50 EHAA O=C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1cccs1 4307183 FHXWTXWRUARUAH-UHFFFAOYSA-N 326.373 3.953 0 50 EHAA COc1ccc(O[C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 4855177 NIZKFMGRFDMJLK-GFCCVEGCSA-N 326.352 3.894 0 50 EHAA O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2ccccc2)CC1 6715456 SOCJMJLHQZONGT-UHFFFAOYSA-N 333.794 3.833 0 50 EHAA CCOC(=O)c1c(C)nsc1NC(=O)c1oc2ccccc2c1C 6730512 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c1cncc(CN2CCc3[nH]cnc3[C@H]2c2ccnc3ccccc23)c1 67755515 DYNXBUMRNYERBP-OAQYLSRUSA-N 341.418 3.501 0 50 EHAA CCOc1ccc2nc(-c3nccn3Cc3cc(C)on3)ccc2c1 71755154 LKGUNPQJPXLQKS-UHFFFAOYSA-N 334.379 3.842 0 50 EHAA Cc1ccc([C@@H]2CN(Cc3ccc(C)o3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 72150127 JRGFXKDCMMMIAA-BHDDXSALSA-N 336.479 3.959 0 50 EHAA CN1C[C@]2(CCCN(Cc3ccc(-c4ccccc4)cc3)C2)OC1=O 72429833 QOYQJKUVFLEIOK-NRFANRHFSA-N 336.435 3.770 0 50 EHAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)N1CC(c2ccccn2)C1 91269916 RDWRXOZLAVLCIS-SFHVURJKSA-N 348.450 3.571 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 91650918 CWOQBERUOPDBMX-HNNXBMFYSA-N 331.847 3.885 0 50 EHAA CCc1cc(CN2CCC(c3nccn3CC3CCC3)CC2)on1 91817714 XWPBTYSMUJGMAB-UHFFFAOYSA-N 328.460 3.613 0 50 EHAA c1ccc(-c2ccnc(NCc3cccc(N4CCCC4)c3)n2)nc1 96180346 DFWSNIKLIBDXEA-UHFFFAOYSA-N 331.423 3.751 0 50 EHAA CCn1ccc2cc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)ccc21 97642250 QHWNOGZBKPZCNW-GOSISDBHSA-N 338.455 3.702 0 50 EHAA CC[C@H]1CN(C(=O)c2csc([C@H]3CCCO3)n2)c2ccccc2O1 153749243 CJZKVUWZYPJAIZ-BLLLJJGKSA-N 344.436 3.812 0 50 EHAA Cc1nnsc1C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 191461554 DISBPVOXZUCMJB-UHFFFAOYSA-N 339.424 3.552 0 50 EHAA O=C(c1ccoc1Cl)N1CCC[C@@H]1C[C@@H](O)c1cccs1 192432863 QGXFSFMJSSQVKO-ZYHUDNBSSA-N 325.817 3.723 0 50 EHAA COC[C@@H]1CCC[C@@H]1NC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12 212641847 FACBSAGDZUHLRY-YJBOKZPZSA-N 328.456 3.567 0 50 EHAA Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)CN(C)C(=O)OC(C)(C)C)C2)cc1 225620085 QIVQEMJYPVCYLP-NVXWUHKLSA-N 346.471 3.566 0 50 EHAA CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@H]1O2)c1csc(-c2cccs2)n1 253395753 QTYGXWMBTNNTQH-GRYCIOLGSA-N 348.493 3.585 0 50 EHAA CC(=O)NCc1ccc([C@@H]2CCCN2c2ccnc3ccccc23)o1 253428372 KUZPKJRTFOCHOI-IBGZPJMESA-N 335.407 3.805 0 50 EHAA O=C([C@H]1C[C@@H]1c1cccc(O)c1)N1CCC[C@@H](Nc2ccccc2)C1 253430060 WYAGSYBNFQBOKE-RLLQIKCJSA-N 336.435 3.599 0 50 EHAA CN(Cc1ccc(C(=O)O)cc1)C(=O)C[C@H]1CCc2ccccc2C1 262959441 JXYJWFVTKJSCOT-INIZCTEOSA-N 337.419 3.538 0 50 EHAA Cc1cc(C)c(C(=O)O)cc1NC(=O)c1cccc([C@@H]2CCOC2)c1 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345.446 3.544 0 50 EHAA Cc1ncsc1CN1CCC([C@H](CC(=O)O)c2ccccc2)CC1 901599701 NDFKJUNEYYAGPZ-QGZVFWFLSA-N 344.480 3.922 0 50 EHAA Cn1nc2c(c1NC(=O)c1c(Cl)cccc1OCC1CC1)CCC2 902847064 LTILAFWPBMSVDG-UHFFFAOYSA-N 345.830 3.603 0 50 EHAA Cc1cc(C(=O)N2c3ccc(Cl)cc3C[C@@H]2C)n2nc(C)cc2n1 1337662100 QWWVONUCEVSBNM-LBPRGKRZSA-N 340.814 3.591 0 50 EHAA Cc1ccc(C(=O)Nc2cnn(Cc3ccccc3)c2)n1C(F)F 1506399584 HUMQKYUNIZIKPU-UHFFFAOYSA-N 330.338 3.689 0 50 EHAA Cc1cc(CN2CCCC2)cc(-c2ccc([C@@H]3CNC(=O)C3)cc2)c1 1875247496 MXSMKHCMDCQNQO-NRFANRHFSA-N 334.463 3.861 0 50 EHAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)[C@@H]1Cc2ccc(F)cc21 1875305056 DUPZJFBKTKOYMS-YVWKXTFCSA-N 339.410 3.972 0 50 EHAA Cc1ccc([C@@H](O)c2cncc(-c3ccc4nc(O)n(C)c4c3)c2)cc1 1875337445 UOMVCQCRGJITNC-HXUWFJFHSA-N 345.402 3.731 0 50 EHAA C=CC(=O)N(C)c1ccc(C(=O)N2CC3(CCC3)C[C@H]2CC)cc1 1875373421 AITFPCFVIGFKPX-MRXNPFEDSA-N 326.440 3.630 0 50 EHAA NCc1ccccc1-c1ccc(C(=O)NCC[C@@H]2CCCCO2)cc1 2325774591 ANHKNMYWXOEUID-IBGZPJMESA-N 338.451 3.501 0 50 EHAA Cc1ccc(C[C@H](O)CN[C@@H](CC(C)C)c2ccccn2)c(C)c1 2325842152 PTFXPNBMJIVVDC-FPOVZHCZSA-N 326.484 3.979 0 50 EHAA CN(Cc1cccc(C(F)(F)F)n1)c1ccnc2cc(O)ccc12 2325857606 ILLOTUYHNWIGSN-UHFFFAOYSA-N 333.313 3.991 0 50 EHAA CC1(C)[C@H]2CC=C(CCOC(=O)Cc3ccc4nonc4c3)[C@@H]1C2 2325865703 MWUYAZWGWOCJDB-GJZGRUSLSA-N 326.396 3.691 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 48204 RJWMDETWDDESBP-CYBMUJFWSA-N 334.847 3.768 0 50 EHAA CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCC2 45193 ISOGNOYRELWJSZ-UHFFFAOYSA-N 329.421 3.974 0 50 EHAA Cc1cc(OCC(=O)Nc2cccc3nsnc23)ccc1Cl 104108 JUUNRGZIDAMYNO-UHFFFAOYSA-N 333.800 3.671 0 50 EHAA CCc1cc(OCCN2C(=O)c3ccccc3C2=O)ccc1Cl 1074285 CWWRJJHUJDECDX-UHFFFAOYSA-N 329.783 3.577 0 50 EHAA COc1ccc(NC(=O)Nc2nnc(-c3cccc(F)c3)s2)cc1 1254636 ZAZSWOGSJIHEBY-UHFFFAOYSA-N 344.371 3.997 0 50 EHAA COc1ccc(CC(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 2862144 XSDWVFBAFYFCGD-UHFFFAOYSA-N 348.855 3.713 0 50 EHAA CSc1nnc2c(n1)O[C@H](c1cccc(F)c1)Nc1ccccc1-2 4123967 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Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)C(C)(C)C 12385434 ONXWFDSPVZWQSM-CYBMUJFWSA-N 332.492 3.777 0 50 EHAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC2CCOCC2)c1C 14975046 SKEDHBVLZFNHJC-SFHVURJKSA-N 325.456 3.635 0 50 EHAA COc1ccc(C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@@]23C(=O)Nc2ccccc23)cc1 169678593 QWYFARKIGPNDNJ-YGNCGHNISA-N 345.398 3.590 0 50 EHAA COc1ccc2ccccc2c1CNC(=O)N1CC[C@H](OC)C[C@@H]1C 225650135 ZRYIXQLKFWEFJE-HOCLYGCPSA-N 342.439 3.557 0 50 EHAA COc1cc(C(=O)Nc2ccc(-c3cnco3)cc2)cc(OC)c1C 133145431 GXRUARBVLGJMCB-UHFFFAOYSA-N 338.363 3.920 0 50 EHAA COc1ccc(CNC(=N)NCC[C@@H](C)c2ccccc2)cc1OC 849068386 BHGSIPGMOHSJNK-OAHLLOKOSA-N 341.455 3.512 0 50 EHAA O=S(=O)(CC1CC2(CCC2)C1)N1CC2(CCC2)[C@@H]1c1ccncc1 872506778 GQUBEHBCJZJADI-KRWDZBQOSA-N 346.496 3.519 0 50 EHAA CC(C)CN(Cc1noc2c1COCC2)[C@H]1CCCc2cccnc21 1875271452 VNGKCHMPOIBUKA-SFHVURJKSA-N 341.455 3.678 0 50 EHAA Oc1nc(C2CC2)nc2c1CCC21CCN(CC2CCCCC2)CC1 2100543634 WEOHIKVBJJHTPK-UHFFFAOYSA-N 341.499 3.920 0 50 EHAA COc1ccc(CCNCc2cc(-c3ccc(OC)cc3)no2)cc1 19933537 WPZFLOGLCLROGU-UHFFFAOYSA-N 338.407 3.691 0 50 EHAA COc1ccc(CC(=O)NCc2ccccc2-c2cccnc2)cc1 2325823427 SCOFDCNIXRWXJT-UHFFFAOYSA-N 332.403 3.616 0 50 EHAA COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)c(OC)c1 168952 OWNPVLNGZVZJKV-UHFFFAOYSA-N 339.435 3.946 0 50 EHAA COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1OC 177816 GTCVSTGAINBYJB-UHFFFAOYSA-N 335.425 3.628 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)COc2ccc(CC)cc2)cc1 444436 MNLBMZDQWYWFBU-UHFFFAOYSA-N 326.396 3.615 0 50 EHAA CC1=NN(C(=O)CCc2ccccc2)[C@@](O)(c2ccc(Cl)cc2)C1 451557 JRYIXRXATSPSRI-IBGZPJMESA-N 342.826 3.726 0 50 EHAA Cc1cccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)c1 475874 JMKAXHYLOWSWIH-UHFFFAOYSA-N 332.403 3.683 0 50 EHAA CCCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 565352 SROZJDXSNFPGJW-KRWDZBQOSA-N 349.839 3.619 0 50 EHAA CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 4011375 NBKGIFDPUOYUGZ-OAHLLOKOSA-N 336.819 3.701 0 50 EHAA COc1ccc(N2C(=O)c3ccccc3[C@@]2(O)Cc2ccccc2)cc1 4700979 OXJOGBUUUYJULU-QFIPXVFZSA-N 345.398 3.743 0 50 EHAA COc1ccc(-c2cnn3c(=O)c(Cc4ccccc4)c(C)[nH]c23)cc1 9261219 HBFRPEJLHJTVLJ-UHFFFAOYSA-N 345.402 3.597 0 50 EHAA O=C1C[C@@H](c2ccc(F)cc2)Cc2c1cnn2-c1nc2ccccc2[nH]1 9421482 UOYBZLOIUKGNSC-ZDUSSCGKSA-N 346.365 3.800 0 50 EHAA O=C(c1ncccc1Cl)N(Cc1cccnc1)Cc1ccco1 343790186 ZSNMSJRJDUQICV-UHFFFAOYSA-N 327.771 3.566 0 50 EHAA COc1ccccc1CN(C(=O)CCn1cnc2ccccc21)C1CC1 55242924 HGHWJVJLPDVDFX-UHFFFAOYSA-N 349.434 3.626 0 50 EHAA Cc1cccc(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 65405278 HRYYBIJZCQINNP-FCHUYYIVSA-N 332.447 3.894 0 50 EHAA Cc1ccccc1-c1cc(NC(=O)[C@H]2OCCc3ccccc32)n(C)n1 123745957 RNCLNTZZJOMAOG-FQEVSTJZSA-N 347.418 3.648 0 50 EHAA Cc1sc2nc(CCN)nc(N[C@H](C)CCc3ccco3)c2c1C 65396849 ZLFJSIWHMCUDEO-LLVKDONJSA-N 344.484 3.836 0 50 EHAA COCC1(C(=O)NCc2csc(-c3cccc(C)c3)n2)CCC1 65455482 AOINGZJTZSNPBD-UHFFFAOYSA-N 330.453 3.551 0 50 EHAA CCCc1nc(N(C)Cc2csc(C(C)C)n2)c2cnn(C)c2n1 72430915 ICEYVINGOOFVTP-UHFFFAOYSA-N 344.488 3.532 0 50 EHAA FC(F)(F)c1cccc([C@@H](NCc2cncnc2)c2cccnc2)c1 122709148 BMPMMGONYFHMSF-QGZVFWFLSA-N 344.340 3.770 0 50 EHAA Cn1nc([C@@H]2CCCO2)cc1NC(=O)N1CCC[C@@H]1C1CCCCC1 253433402 WLAHKBZPZVHVRJ-SJORKVTESA-N 346.475 3.848 0 50 EHAA CC(C)c1noc([C@@]23CCC[C@@H]2CN(C(=O)c2ccc(F)cc2)C3)n1 328605715 OWXLRICQALNECU-AUUYWEPGSA-N 343.402 3.526 0 50 EHAA Cc1ccc(OC2(C(=O)O)CCN(C/C=C/c3ccco3)CC2)cc1 72430123 HSVQKNOWFLJVCU-DUXPYHPUSA-N 341.407 3.599 0 50 EHAA CC[C@H]1CCCCN1C(=O)c1cccc(Oc2ccc(C)nn2)c1 77137484 CJIJXCFJXWJNKS-INIZCTEOSA-N 325.412 3.982 0 50 EHAA c1cnc(N2CCCCC2)c(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 241774202 RNWPMAGRAFYJCX-GUDVDZBRSA-N 341.499 3.509 0 50 EHAA COc1ccc2cc([C@H]3CN(c4ncnc(C)c4C)CCO3)ccc2c1 71755038 PLONTGHNZUHWPQ-HXUWFJFHSA-N 349.434 3.833 0 50 EHAA CNc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)ccn1 72171446 NURFPKXGUIJGHZ-MRXNPFEDSA-N 341.430 3.747 0 50 EHAA COc1cccc(-c2nn(C(C)(C)C)cc2CN[C@H]2CCCOC2)c1 177579005 XGPKFRLOMYUMEQ-KRWDZBQOSA-N 343.471 3.582 0 50 EHAA C[C@H](C(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1)c1ccccc1 95510779 XRJYIHDJIWGZHW-HNNXBMFYSA-N 331.419 3.765 0 50 EHAA O=C(c1cc(OCC(F)F)ccn1)N(c1ccccn1)C1CCCC1 183311591 DIOIUVVQAPHWNO-UHFFFAOYSA-N 347.365 3.710 0 50 EHAA CC(C)c1ccc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1F 184459968 WORRSIFILRXBBC-CYBMUJFWSA-N 330.407 3.704 0 50 EHAA O=C(NC[C@H]1CCN(C2CCCCC2)C1)Nc1cccnc1Cl 299792745 FQBFGSGZAHXAIE-CYBMUJFWSA-N 336.867 3.511 0 50 EHAA Cc1cccc(NC(=O)CCNC(=O)C[C@H]2CCc3ccccc32)c1 827807356 DKFMTNYTSXGFOI-QGZVFWFLSA-N 336.435 3.560 0 50 EHAA CC(C)Oc1cccc(CCNC(=O)N(C)[C@H]2CCOC(C)(C)C2)c1 584889615 HIEAMOXJRAHYGL-KRWDZBQOSA-N 348.487 3.615 0 50 EHAA Cn1c(CNc2ccnc(C3CCCC3)n2)nc2ccc(F)cc21 170598715 AVQIJABMHFCHKX-UHFFFAOYSA-N 325.391 3.772 0 50 EHAA Cc1cc(C)c2c(c1)CN(C(=O)C[C@@H](C)c1c(C)n[nH]c1C)CC2 188655830 LPUVWKWBWOACEU-CQSZACIVSA-N 325.456 3.722 0 50 EHAA CCCCNC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 3068953 KFCJZRBPQMPTNX-JXAWBTAJSA-N 340.398 3.513 0 50 EHAA CC[C@@H](C)C(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 11790257 SGACGIQMWSTNTM-WBMJQRKESA-N 344.842 3.868 0 50 EHAA O=C(c1cnsn1)N(Cc1ccc(OCC2CCC2)cc1)C1CC1 11998342 BMCFDEARBHITRA-UHFFFAOYSA-N 343.452 3.522 0 50 EHAA CC(C)(CO)NC(=O)C[C@@H](c1ccccc1)c1cccc(Cl)c1 12055614 GHIANKZGMDVLQF-KRWDZBQOSA-N 331.843 3.749 0 50 EHAA O=C(Cc1cccc2c([S@](=O)O)cccc12)Nc1ccc(F)cc1 12428610 HSBHXBUFUADIFN-UHFFFAOYSA-N 343.379 3.741 0 50 EHAA CCn1ccnc1CN1CCC[C@H](CCc2cccc(OC)c2)C1 12438713 XUTAUUPKVXRRQN-GOSISDBHSA-N 327.472 3.756 0 50 EHAA Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 12459329 WQSXJGDZHFODNQ-MRXNPFEDSA-N 340.398 3.625 0 50 EHAA CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C2CCC2)C1 14969233 QECVCAQIXFMHAR-HXUWFJFHSA-N 331.456 3.653 0 50 EHAA Cn1nc(-c2ccccc2)c2c1CCN(Cc1ccc(Cl)o1)CC2 1857729262 BYYXXMLTKCDDGE-UHFFFAOYSA-N 341.842 3.934 0 50 EHAA OC[C@H]1[C@H]2CN(Cc3sc4ccccc4c3Cl)C[C@]23CC[C@H]1O3 1857739540 VBOGXHYTEHCTES-HNSFDTNUSA-N 349.883 3.526 0 50 EHAA CN(C(=O)c1ccoc1Br)[C@H]1CCCc2cccnc21 225563431 UCHQYRAGRGZUTR-LBPRGKRZSA-N 335.201 3.587 0 50 EHAA CSCC[C@H](C(=O)N[C@H](C)c1nc2ccccc2[nH]1)n1cccc1 334161427 ZJUWQOQGGKBHBA-CZUORRHYSA-N 342.468 3.536 0 50 EHAA COc1ccc2ccccc2c1CNC(=O)NC[C@H]1CCC[C@H](C)O1 660271871 GXSVKLPOCVFHNV-GOEBONIOSA-N 342.439 3.605 0 50 EHAA Cc1cc(OCC(=O)NC2CCCC2)cc(C)c1Br 312189 PWVRSUQFAZRDAM-UHFFFAOYSA-N 326.234 3.504 0 50 EHAA Cc1csc([C@H](NC(=O)c2ccnc(-c3ccco3)c2)C2CC2)n1 933510882 YKCICDMUGOUPON-MRXNPFEDSA-N 339.420 3.988 0 50 EHAA Cc1cc(C)n(Cc2cccc(NC(=O)[C@@H]3OCC[C@@H]3C(C)C)c2)n1 952845712 IXKMGULPLVRDNR-RTBURBONSA-N 341.455 3.548 0 50 EHAA CC(C)[C@H](c1cccnc1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 1875254604 WTRKZPFTPAKAEV-LJQANCHMSA-N 334.423 3.941 0 50 EHAA O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2cc3c(cc2N1)OCCO3 104564 QLGABSAZUUUXPD-LBPRGKRZSA-N 349.308 3.951 0 50 EHAA COc1ccc(OCC(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1 108383 FODZFSICRZCOQK-ZDUSSCGKSA-N 329.371 3.581 0 50 EHAA Cn1cc(CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C2CC2)cn1 2325781129 NOBBUXYVTSHTAK-UHFFFAOYSA-N 339.370 3.624 0 50 EHAA CC(C)(C)c1cc(NC(=O)c2ccccc2)n(Cc2cccnc2)n1 2328553847 OIEWSDBXRZUDDJ-UHFFFAOYSA-N 334.423 3.876 0 50 EHAA CC(C1=N[C@@H]2c3ccccc3C[C@@H]2O1)C1=N[C@@H]2c3ccccc3C[C@@H]2O1 215245830 BCWZRUFCLMFNDN-VNTMZGSJSA-N 344.414 3.812 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 268430 GLTIFAPRQURZFG-KGLIPLIRSA-N 331.412 3.598 0 50 EHAA COc1ccc(C)cc1NC(=O)Nc1cc(OC)c(OC)c(OC)c1 612260 XIEMPUKHOJCGNR-UHFFFAOYSA-N 346.383 3.673 0 50 EHAA Cc1ccc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)cc1 2755849 YBHFADZYFOSAAO-UHFFFAOYSA-N 335.297 3.547 0 50 EHAA COc1ccc(-c2cc(N3CCNC[C@H]3C)c3ccccc3n2)cc1 4542894 OOBNRRMBCKHQPS-OAHLLOKOSA-N 333.435 3.709 0 50 EHAA COc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1OC 6730415 SZSPTOYHFZJEJV-UHFFFAOYSA-N 334.803 3.721 0 50 EHAA Fc1ccc(-c2ccc(N3CCN(Cc4ccccc4)CC3)nn2)cc1 55102120 ZENKJNLEWLMQHD-UHFFFAOYSA-N 348.425 3.605 0 50 EHAA CN(Cc1ccccc1)C1CCC(NC[C@@H](O)c2ccsc2)CC1 225509738 PCQDBUAGTGECEA-SOAGJPPSSA-N 344.524 3.814 0 50 EHAA CC(C)[C@@H](C)NC1CCN(c2ccc(N3C(=O)CC[C@@H]3C)cc2)CC1 55131682 XLGRDSGJCNCQGY-DLBZAZTESA-N 343.515 3.805 0 50 EHAA Cn1cc(C(=O)CSc2ncn(-c3ccccc3)n2)c2ccccc21 9422943 PJKHRFNIZPVPQQ-UHFFFAOYSA-N 348.431 3.734 0 50 EHAA CCCSc1ncc(CN(Cc2c(C)nn(C)c2C)C(C)C)cn1 55108242 JOPWDWBJFQUTLT-UHFFFAOYSA-N 347.532 3.740 0 50 EHAA CC(C)=Cc1c(-c2ccccc2)ncn1C[C@H]1CCCN(CCO)C1 65386648 BYSIVQNUQVTYLQ-SFHVURJKSA-N 339.483 3.678 0 50 EHAA Cc1nn(-c2ccccc2)c(C)c1Cc1nc(Cc2ccccc2)n[nH]1 67490830 NGFPLWXFRMQGCA-UHFFFAOYSA-N 343.434 3.789 0 50 EHAA OCc1ccccc1CNCc1cn[nH]c1-c1cc2ccccc2o1 140264909 NZSULGQJEGEZMC-UHFFFAOYSA-N 333.391 3.605 0 50 EHAA C[C@H](N[C@H](C[C@H]1CCOC1)c1ccccc1)c1nnc2ccccn12 252486357 JFNXDOGXBHOGOL-LZLYRXPVSA-N 336.439 3.548 0 50 EHAA CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccsc1 229158983 UFPPUXBPGWKWRY-MRVWCRGKSA-N 348.434 3.836 0 50 EHAA O=C(CNc1ccc(C2CC2)c(F)c1)Nc1ccc2c(c1)OCCO2 252495179 OMKGUQHHCKAWQR-UHFFFAOYSA-N 342.370 3.525 0 50 EHAA O=S(=O)(c1ccc(Cl)cc1)N1CCCC[C@@H]1c1cccnc1 451232 RDLAFQXQCBLDQX-MRXNPFEDSA-N 336.844 3.651 0 50 EHAA biogenic Cc1ccccc1NC(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C 2796476 RWVPKOIGTYLKES-LLVKDONJSA-N 325.334 3.794 0 50 EHAA CCc1cc(-c2nccn2Cc2nn(C)c3cccc(Cl)c23)on1 77470135 VEKHTIDXDMWQEF-UHFFFAOYSA-N 341.802 3.689 0 50 EHAA O=C(c1cc(F)cc2cccnc12)N(CC(F)(F)F)C1CCC1 253416512 MIBLMOCODJOJEB-UHFFFAOYSA-N 326.293 3.931 0 50 EHAA Cc1n[nH]c(C)c1NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 173554453 JGOSFSHBLHYMQD-UHFFFAOYSA-N 336.317 3.789 0 50 EHAA CC[C@H](C)c1ccccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 241144905 JUADJAHIBUCNCE-WBHUJUFNSA-N 332.469 3.593 0 50 EHAA O=C(NCc1ccc2cc[nH]c2n1)N1CCC[C@H](c2ccccc2)C1 458781659 FONAOSDVEMJNDI-KRWDZBQOSA-N 334.423 3.652 0 50 EHAA OCC[C@H](NC[C@H](O)c1cccc(Cl)c1)c1ccc(Cl)cc1 286925512 KVKOQVWBPIFCCI-IRXDYDNUSA-N 340.250 3.740 0 50 EHAA COC(=O)c1ccc(NC(=O)N[C@H](c2cccnc2)C(C)C)c(C)c1 97729544 PGLACGQQHRHIQN-KRWDZBQOSA-N 341.411 3.695 0 50 EHAA CC1(C)C[C@]1(C(=O)N1CCC2(CCCO2)CC1)c1ccc(F)cc1 91690146 MDJGTRHLWWSKAA-HXUWFJFHSA-N 331.431 3.665 0 50 EHAA CC[C@H]1Cc2ccccc2CN1C(=O)C[C@H](C)c1c(C)n[nH]c1C 183851425 KQABHTRTMBDEGV-UGSOOPFHSA-N 325.456 3.884 0 50 EHAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC[C@H]1CCCOC1 534668902 ODQRDTDVXNRXPJ-CYBMUJFWSA-N 344.377 3.664 0 50 EHAA CC(C)(C)C[C@H](NC(=O)c1cc(-c2ccncc2)[nH]n1)c1cccnc1 828211450 DZCKIANYIGXWTB-SFHVURJKSA-N 349.438 3.774 0 50 EHAA O=C(NC1(c2ccc(Cl)cc2)CC1)N1CCCC2(CCOCC2)C1 584887430 IFJCPRXSYNCRQO-UHFFFAOYSA-N 348.874 3.931 0 50 EHAA Cc1n[nH]c(C)c1CNC(=O)c1cc2c(s1)-c1ccccc1CC2 1347328326 OVLMIBGODYCZDV-UHFFFAOYSA-N 337.448 3.784 0 50 EHAA CCNc1nc(C)c(C(=O)N2CCc3c([nH]c4ccccc34)C2)s1 760877470 UXIBVNQXBVUEPU-UHFFFAOYSA-N 340.452 3.563 0 50 EHAA C[C@@H](O)c1nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2[nH]1 952987797 LMJIXYVUOZLFEN-MRVPVSSYSA-N 333.750 3.661 0 50 EHAA C[S@@](=O)c1cccc(NC(=O)N2CCCCC[C@@H]2C(F)(F)F)c1 1465568884 QRELIMHNWXUGES-JCQPUDPBSA-N 348.390 3.763 0 50 EHAA Cc1ncsc1CN(Cc1ccsc1)[C@@H]1CC12CCNCC2 275609560 IMBJUVZIBWARJC-MRXNPFEDSA-N 333.526 3.657 0 50 EHAA Cc1cc(C)n(-c2cccc(CN(C)CC[C@@H]3CCCCO3)c2)n1 952991546 ZUWJUXAPRJBSDC-FQEVSTJZSA-N 327.472 3.880 0 50 EHAA CCOc1ncc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)cc1Cl 186319953 PJIHKGPZPNRFGQ-LLVKDONJSA-N 346.814 3.993 0 50 EHAA Nc1cc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)ccn1 191474091 ZMVFBVWTHWNZMN-OAHLLOKOSA-N 338.238 3.544 0 50 EHAA CC[C@@H](C(=O)Nc1c[nH]nc1-c1ccccn1)c1ccc(OC)cc1 192538245 BMWYFQASJFSGNB-OAHLLOKOSA-N 336.395 3.613 0 50 EHAA Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@H](C(=O)O)c2ccccc21 669434762 XTOQEQLDNWSWLW-INIZCTEOSA-N 348.402 3.624 0 50 EHAA CC1(C)CC(=O)c2sc(NC(=O)/C=C/c3ccccc3)nc2C1 463267 LINMMZMVVZHKQC-CMDGGOBGSA-N 326.421 3.950 0 50 EHAA CC1(C)CC(=O)C(Sc2ccc(Br)cc2)C(=O)C1 101156650 NYIVFEZIZAEDTK-UHFFFAOYSA-N 327.243 3.868 0 50 EHAA CCCC(C)(C)C(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1704357034 NWJKNQPEICJCHR-APWZRJJASA-N 340.467 3.735 0 50 EHAA Cc1[nH]c2ccc(CNC3CCN(Cc4ccccn4)CC3)cc2c1C 11874076 NXIKYRCRFUTECL-UHFFFAOYSA-N 348.494 3.934 0 50 EHAA O=C(NC[C@@H]1Cc2cccc(-c3cccnc3)c2O1)[C@@H]1CC=CCC1 12164514 BNSMHSFABURKPP-QAPCUYQASA-N 334.419 3.525 0 50 EHAA COc1ccc(C(=O)[C@H]2CCCN(Cc3ccsc3)C2)cc1OC 12196646 SSQYWVCICUXZCY-INIZCTEOSA-N 345.464 3.860 0 50 EHAA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccn1 12380696 MBGLZRNWUARBRL-MRXNPFEDSA-N 332.403 3.832 0 50 EHAA CCOc1ccccc1-c1nc(CN2CCCC[C@@H]2CCO)c(C)o1 12611914 ZJJFZODRBDUAHC-MRXNPFEDSA-N 344.455 3.786 0 50 EHAA O=C(c1ccco1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19720765 WACWVVJKOMFQKG-UHFFFAOYSA-N 346.430 3.827 0 50 EHAA NCCN[C@H](c1ccc(Cl)cc1)c1ccccc1C(F)(F)F 22917525 TURCTTRGNGELIE-OAHLLOKOSA-N 328.765 3.997 0 50 EHAA in-vitro O=C([C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1CCc2cnccc21 225588580 FIFVHGWXSNVEPH-DYVFJYSZSA-N 346.789 3.541 0 50 EHAA CC(C)(C)n1ncnc1CNC1(c2ccccc2Br)CC1 330032225 JPGSQBHHYKLPHY-UHFFFAOYSA-N 349.276 3.575 0 50 EHAA C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)CCc1cnc[nH]1 355013962 JLWJAZXXKPBDFQ-JTQLQIEISA-N 338.238 3.795 0 50 EHAA CCc1c(NC(=O)N[C@H]2CCCc3cccnc32)cnn1CC(C)C 930557070 CFLLXTBUUXWYMC-HNNXBMFYSA-N 341.459 3.696 0 50 EHAA O=C(NC[C@@H](c1ccc(Cl)cc1)n1ccnc1)N1CCCCCC1 1875270099 IITJDFBJYNKOGI-KRWDZBQOSA-N 346.862 3.712 0 50 EHAA O=C([C@H](c1ccccc1)n1cnc2ccccc21)N1CC2CC(F)(C2)C1 1875302522 UIMBUMARCRYILI-RNFHDMOYSA-N 349.409 3.586 0 50 EHAA O=C(O)[C@@H]1CCCO[C@H]1c1cnn(Cc2ccc3ccccc3c2)c1 886087992 GOYPATQRWOZBPN-MOPGFXCFSA-N 336.391 3.637 0 50 EHAA CC(C)(C)c1ccc2[nH]c(C(=O)NCCc3csc(O)n3)cc2c1 898606652 LQVDSBOAKYFIAG-UHFFFAOYSA-N 343.452 3.600 0 50 EHAA O=C(COc1cccc2ccccc12)N1CCN(c2ccccc2)CC1 52792 NUHAPFZTORCAMT-UHFFFAOYSA-N 346.430 3.567 0 50 EHAA CCOc1cccc([C@H](C)NC[C@@H](CO)Cc2ccccc2C)c1 2325742206 MVAJUNIGSKOOIH-ROUUACIJSA-N 327.468 3.896 0 50 EHAA COc1ccc(NC2CCN(CCc3ccccc3)CC2)c(OC)c1 279607 FRBOSQJLOCHVIY-UHFFFAOYSA-N 340.467 3.823 0 50 EHAA CC[C@H](Sc1nnc(C)s1)C(=O)Nc1ccc(C(C)=O)cc1 359956 FSJTYNVCEQJURJ-ZDUSSCGKSA-N 335.454 3.559 0 50 EHAA CCOC(=O)c1ccc(NCc2cccc(OC)c2OCC)cc1 360237 YBHDFFSGJWYVBR-UHFFFAOYSA-N 329.396 3.883 0 50 EHAA CCc1ccc(OCC(=O)Nc2cccc(C)n2)c(Br)c1 470034 MEPXDZYMQHYKGA-UHFFFAOYSA-N 349.228 3.732 0 50 EHAA O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCCC1 608913 BWJJDXUSPPOWDG-UHFFFAOYSA-N 342.349 3.570 0 50 EHAA C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccncc1)c1ccccc1 3459603 SUXBNUJKEBMCCI-OAHLLOKOSA-N 345.402 3.825 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 4533274 QIVOTMOKECOCJC-QSSMNLIHSA-N 334.500 3.566 0 50 EHAA CCc1nc(C)c(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)[nH]1 67841710 FMSRECQABHNPQH-INIZCTEOSA-N 336.439 3.990 0 50 EHAA C[C@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccc(O)cc1 4653765 XBXULGCDVRBIAT-LBPRGKRZSA-N 331.799 3.886 0 50 EHAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ccnc(N)c1 72430740 SPVCMKXLFOQIKE-UHFFFAOYSA-N 333.391 3.728 0 50 EHAA CS[C@@H](c1ccccc1)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 71257096 QJGNFZXSUPTQPO-ZBFHGGJFSA-N 336.501 3.989 0 50 EHAA C[C@H]1CN(C(=O)c2ncsc2-c2ccccc2)c2cccnc2O1 328588711 NADSTSHXZMEBPI-LBPRGKRZSA-N 337.404 3.633 0 50 EHAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(C(=O)O)cc2F)C1 478825463 IXQSNDSOTJDBBP-HXUWFJFHSA-N 341.382 3.718 0 50 EHAA O[C@@H](c1cc2n(n1)CCCN(C/C=C/c1ccccc1)C2)C1CCC1 218975183 BDUNWBJJLLAUPJ-AEVNEEFTSA-N 337.467 3.636 0 50 EHAA CCn1c2ccccc2c2cc(-c3nccn3CCNC(C)=O)ccc21 71752851 ARTTULRJMGBKBI-UHFFFAOYSA-N 346.434 3.814 0 50 EHAA CC1(C)C[C@@H](NC(=O)c2cc(C3CC3)nc3ccc(F)cc23)CCO1 155827923 OFCRZYUSXHODGQ-AWEZNQCLSA-N 342.414 3.939 0 50 EHAA Cc1noc2ncnc(N3CCC(Oc4ccc(Cl)cc4)CC3)c12 77337606 YDAPOQXECUXVFE-UHFFFAOYSA-N 344.802 3.627 0 50 EHAA CC(=O)C1(c2ccccc2)CCN(C(=O)c2sc(C)nc2C)CC1 72459209 SQYOSPQGZAHUQH-UHFFFAOYSA-N 342.464 3.523 0 50 EHAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 77542252 HKLHXKZFYHYSPV-SFHVURJKSA-N 339.410 3.880 0 50 EHAA Cc1nc(CCCNC(=O)c2cc(-c3ccccc3)on2)sc1C 82156133 FCOHMLJMCGRCFB-UHFFFAOYSA-N 341.436 3.778 0 50 EHAA C[C@H](NC(=O)N1CCC(OCc2cccnc2)CC1)c1cccs1 426386837 CBGSUCFLJWGEDC-AWEZNQCLSA-N 345.468 3.595 0 50 EHAA CCCCn1nc(C2CCCC2)nc1[C@@H](N)Cc1ccc(O)cc1 96130937 QYIDVXUDQUDTJJ-KRWDZBQOSA-N 328.460 3.684 0 50 EHAA COc1ccc(F)cc1[C@H](C)NC1CCN(CC(F)(F)F)CC1 237182225 FFUPGKSETIWZDH-NSHDSACASA-N 334.357 3.512 0 50 EHAA Cc1nc(COc2ccc(CN[C@@H]3CCC[C@H](C)[C@H]3C)cc2)no1 230218910 PKOUASMHBNRZFK-PMUMKWKESA-N 329.444 3.871 0 50 EHAA CC(C)n1ccnc1C1CCN(C(=O)c2ccccc2N(C)C)CC1 91487037 VCHLTHPKDSGTMJ-UHFFFAOYSA-N 340.471 3.550 0 50 EHAA c1ccc(CCN(CCN2C[C@H]3CC[C@@H]2C3)Cc2ccccn2)cc1 240128275 IPFQXPNCKSTYPI-RBBKRZOGSA-N 335.495 3.611 0 50 EHAA CCn1ncnc1[C@H](NC(=O)Nc1cccc2cc(C)oc12)C1CC1 299763818 DOTDGIYWNHTPKS-OAHLLOKOSA-N 339.399 3.625 0 50 EHAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCCCc1ccccn1 299763730 QEBYETALKXSFHD-OAHLLOKOSA-N 346.858 3.950 0 50 EHAA FC(F)(F)Cn1nc(-c2c[nH]c3ccccc23)nc1[C@H]1CCCO1 670447241 OLTMPMMCXAVXSE-CYBMUJFWSA-N 336.317 3.840 0 50 EHAA C[C@H]1C[C@@H](O)CCN1Cc1cn(-c2ccccc2)nc1-c1ccccc1 170610757 JHRHFWSLCYRKPS-UWJYYQICSA-N 347.462 3.885 0 50 EHAA COC1(CNC(=O)c2cnc(-c3ccsc3)s2)CCCCC1 186339876 RJOLFOQWIKWRBI-UHFFFAOYSA-N 336.482 3.951 0 50 EHAA C[C@@H](Nc1nn2cc(-c3ccccc3)nc2s1)C1CCOCC1 761922198 ZYGKWAMUTDDDSU-GFCCVEGCSA-N 328.441 3.685 0 50 EHAA Cc1c(F)c(F)c(CN2CCC[C@]3(CCC[C@H]3O)C2)c(F)c1F 1704344945 QVFYFYZQNJSKEZ-SJKOYZFVSA-N 331.353 3.678 0 50 EHAA Cc1ccc([C@H](O)CN[C@H]2CN(Cc3ccccc3)CC[C@H]2C)cc1 230218639 QDNOXYSTUUWINT-BVYCBKJFSA-N 338.495 3.529 0 50 EHAA C[C@H]1CC[C@H](/C=C/Nc2ccc(I)cc2)C1=O 1776111193 FWVGIXWRTPJRQH-CJUJNCCTSA-N 341.192 3.832 0 50 EHAA CCN1CCC(NC(=O)c2sc3cc(F)ccc3c2Cl)CC1 16579935 ULOXXKGBALSIAW-UHFFFAOYSA-N 340.851 3.908 0 50 EHAA OCC1CCN([C@@H]2CCCN(Cc3cc4ccccc4s3)C2)CC1 19792848 PIXGWHSTYZZFJR-GOSISDBHSA-N 344.524 3.570 0 50 EHAA Cc1cccn2ncc(-c3nccn3Cc3ccc(CN(C)C)cc3)c12 1857698545 XEAUYVJTASELMN-UHFFFAOYSA-N 345.450 3.616 0 50 EHAA CCC(CC)n1ncc(C(=O)N[C@@H]2c3cccc(F)c3O[C@H]2C)c1C 240333680 FESAQEUZCQQZRW-SJCJKPOMSA-N 345.418 3.944 0 50 EHAA O=C(c1cccc(OC(F)F)c1)N1CCC(c2nccs2)CC1 377511946 QAABTRBTXAKRMA-UHFFFAOYSA-N 338.379 3.764 0 50 EHAA CCCOc1ccccc1NC(=O)c1cncc(Br)c1 8751857 CHVPZYYWRWJQRM-UHFFFAOYSA-N 335.201 3.885 0 50 EHAA CCC(=O)N[C@H](C(=O)N1CC[C@@H](CC2CCCC2)C1)c1ccccc1 1875265160 WAQSTLMIIQRXGC-PXNSSMCTSA-N 342.483 3.683 0 50 EHAA COc1cc(C(=O)Nc2ccccc2OC(C)C)cc(OC)c1OC 35999 WKLLDVPBVWIAJG-UHFFFAOYSA-N 345.395 3.752 0 50 EHAA biogenic,in-vitro O=C(Nc1ccc(Cl)c2ncccc12)N[C@@H]1CC[C@H]2CC[C@H]1O2 2325781380 LOBOPZIHDYFEFC-COLVAYQJSA-N 331.803 3.720 0 50 EHAA Cc1cnn(-c2ccncc2NC(=O)C[C@@H](C)c2cccc(F)c2)c1 124209075 OZOQJZCVYBTOSD-CQSZACIVSA-N 338.386 3.847 0 50 EHAA CC(C)(C)c1nnc(NC(=O)c2cccc(Br)c2)s1 39014 ZWCYIMVRPHTUQB-UHFFFAOYSA-N 340.246 3.850 0 50 EHAA COC(=O)c1cn(C(=O)COc2ccc(C)c(C)c2)c2ccccc12 87995 WHVXZMXRDSJFCF-UHFFFAOYSA-N 337.375 3.764 0 50 EHAA COc1ccc(C(=O)N(C)Cc2ccccc2)cc1Br 142621 GCXSRBWMEHCYHM-UHFFFAOYSA-N 334.213 3.730 0 50 EHAA O=C(c1ccccc1)[C@@H]1Oc2ccccc2OC[C@]1(O)c1ccccc1 188975 SPTUWAPEHOJTII-VXKWHMMOSA-N 346.382 3.597 0 50 EHAA COc1cc(Cl)ccc1NC(=O)Oc1cccc(NC(C)=O)c1 399689 OJLJFLXLDYCWLH-UHFFFAOYSA-N 334.759 3.918 0 50 EHAA CCOC(=O)[C@H](CC)Oc1ccc2c(C)c(CC)c(=O)oc2c1C 449357 KHIGFRRVDZKIBB-HNNXBMFYSA-N 332.396 3.693 0 50 EHAA CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1 614138 BZVSEQMHZDOGKY-UHFFFAOYSA-N 327.858 3.540 0 50 EHAA CCCCCNC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1[C@H]2CCC 2356134655 WPDHJFFWDSOWFU-BBWFWOEESA-N 345.487 3.508 0 50 EHAA C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc2ccccc2oc1=O 2767707 MMLYLYANGAAMJZ-LBPRGKRZSA-N 337.350 3.914 0 50 EHAA CCc1oc2ccccc2c1CN1CCC[C@@]12CCCN(C)C2=O 2356167399 OCQGRNUXEUSKQN-HXUWFJFHSA-N 326.440 3.582 0 50 EHAA Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@@H]2c1cccc(Cl)c1 4519862 JIMVZQUCOYAYRX-CQSZACIVSA-N 339.778 3.633 0 50 EHAA O=C(NC1CCCCC1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 6744102 RTSDGZYENDGUCZ-UHFFFAOYSA-N 339.317 3.818 0 50 EHAA CCCN(C[C@H]1CCCCO1)c1cc(C)nc(-c2ccncc2)n1 112966525 NGQSIWIVAIDJRH-QGZVFWFLSA-N 326.444 3.633 0 50 EHAA CC(C)c1cc(NC(=O)c2cccc(CN3CC=CCC3)c2)n(C)n1 67771576 RIDGQPZEMMMJSY-UHFFFAOYSA-N 338.455 3.558 0 50 EHAA Cc1nc(C2CCNCC2)cc(N(Cc2sccc2C)C2CC2)n1 67852100 SJPPXEOIROJYIN-UHFFFAOYSA-N 342.512 3.791 0 50 EHAA Cc1cccnc1[C@@H]1CCC[C@@H](NCc2ncnn2C(C)(C)C)C1 253397418 XBXOBYOAKIALQH-HZPDHXFCSA-N 327.476 3.553 0 50 EHAA Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3[C@H]3CCCC[C@H]3O)c12 253396232 MIKFGQNPSNGWFX-BHIYHBOVSA-N 340.467 3.561 0 50 EHAA CC1=C(Cc2cn(Cc3ccc(CO)cc3)nn2)C(C)(C)CCC1 67840119 PELDXHPVIZHAHO-UHFFFAOYSA-N 325.456 3.888 0 50 EHAA NC(=O)Cn1cnc(-c2ccccc2)c1-c1cccc(C(F)(F)F)c1 65460591 HWMXFCPDUSIILU-UHFFFAOYSA-N 345.324 3.721 0 50 EHAA O=C(C1[C@@H]2CCCC[C@@H]12)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 229368500 PSSNDJWGRCQQAP-BZUAXINKSA-N 327.424 3.558 0 50 EHAA Cc1ccccc1C[C@@]1(CO)CCCN(c2ncncc2C(C)C)C1 67459096 VTEMKXVVYCYQBL-NRFANRHFSA-N 339.483 3.730 0 50 EHAA CC(C)(C)[C@@H](Cn1cccn1)NC(=O)C12CC3CC(CC(C3)C1)C2 6386543 OUAPZXPVWVMPQU-VQBCORBOSA-N 329.488 3.630 0 50 EHAA C[C@@H](C(=O)Nc1nc2cc3c(cc2s1)OCCO3)c1ccccc1 476099592 ONQHFZVMGCSXAT-LLVKDONJSA-N 340.404 3.810 0 50 EHAA CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCCOC1 253415298 DLHUFYWEGRHJSC-HUUCEWRRSA-N 343.389 3.817 0 50 EHAA CCc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)on2)on1 33269919 WPSUQVDZCDUBMR-INIZCTEOSA-N 337.379 3.869 0 50 EHAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@H]2C(F)(F)F)cc1 72418183 NJVVECDHXYSRRC-AWEZNQCLSA-N 329.362 3.557 0 50 EHAA CNc1nc(C)c(C(=O)N2CCC[C@@H](c3cccc(C)c3)C2)s1 77470583 DDYTUIXGXHAIGV-OAHLLOKOSA-N 329.469 3.821 0 50 EHAA O=S1(=O)C=C[C@@H](n2ccnc2-c2ccc3c(c2)Cc2ccccc2-3)C1 72124041 VPGJAAZDBNBKMV-QGZVFWFLSA-N 348.427 3.605 0 50 EHAA COC(=O)[C@H]1CC[C@H](C(=O)N(CC(F)(F)F)c2ccccc2)CC1 239760922 CIKKAXXVZDTYTH-JOCQHMNTSA-N 343.345 3.561 0 50 EHAA Cc1ncc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)s1 77284990 JOASZQWOEMGEHL-CYBMUJFWSA-N 334.416 3.522 0 50 EHAA COc1ccc(-n2ccnc2CN2CCC(c3ccncc3)CC2)cc1 72419677 XDTVPHXYWQGMAC-UHFFFAOYSA-N 348.450 3.656 0 50 EHAA CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 17068628 JMMKABFHTLYLAD-OAHLLOKOSA-N 333.453 3.742 0 50 EHAA COC[C@@H]1CCCN1C(=O)c1cccc(-c2ncccc2Cl)c1 426551376 SXHMJRDHRQGBCH-HNNXBMFYSA-N 330.815 3.653 0 50 EHAA COC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc3c(c2)CCO3)c1 426445190 YPCMZZCDMQZURS-IBGZPJMESA-N 337.419 3.540 0 50 EHAA Cc1cc(C(=O)N2CCCC[C@H](N(C)C)C2)c(-c2ccccc2)o1 82157134 XSCNJADVFFNOET-KRWDZBQOSA-N 326.440 3.811 0 50 EHAA CN(CCCO)C(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1 426677341 BRISESAOZMIOOF-UHFFFAOYSA-N 337.341 3.827 0 50 EHAA Oc1ccc2cc(CN3CCCN(Cc4ccncc4)CC3)ccc2c1 97602465 RVZBFUGKIHWQAQ-UHFFFAOYSA-N 347.462 3.648 0 50 EHAA COC(=O)/C(Br)=C/CCCCOCc1ccccc1 95836426 GRAZQHDUWJXUQB-UVTDQMKNSA-N 327.218 3.825 0 50 EHAA CC[C@H](c1ccccn1)N(C)Cc1nnc(-c2cccc(F)c2)o1 244691032 JBKBEHWMLDMTCE-MRXNPFEDSA-N 326.375 3.854 0 50 EHAA CCn1c(-c2ccccc2F)nc2cc(C(=O)O)cc(NC(C)=O)c21 299770439 SJVKNLZZJRRPPZ-UHFFFAOYSA-N 341.342 3.519 0 50 EHAA COc1cccc([C@@H]2CCN2C(=O)Nc2cc(C(C)(C)C)nn2C)c1 299761120 RRTJWBHNGZFTQG-HNNXBMFYSA-N 342.443 3.705 0 50 EHAA CCC[C@H](C(=O)NC1CCN(c2cccc(C)c2)CC1)n1cccc1 670434574 ZQLQCZKNMIXTEI-HXUWFJFHSA-N 339.483 3.923 0 50 EHAA O=C1C[C@H](CN[C@H]2CCCOc3cc(F)ccc32)c2ccccc2N1 221775803 UQFHTFQNXZUOCJ-DYVFJYSZSA-N 340.398 3.755 0 50 EHAA CC[C@@](NC(=O)[C@@H](C)Sc1ccccc1)(C(=O)O)c1ccccc1 170592054 VWQPJNOOJVNPKT-KUHUBIRLSA-N 343.448 3.674 0 50 EHAA COc1ccccc1CN1CCC[C@@H](N(C)Cc2ccccn2)CC1 275705835 NNSDBTDZZKXWQN-HXUWFJFHSA-N 339.483 3.577 0 50 EHAA Cc1cnc([C@H](C)CNC(=O)Nc2cccc(-c3cc[nH]n3)c2)s1 185956785 GQMRCZZYJKGPGR-LLVKDONJSA-N 341.440 3.767 0 50 EHAA C[S@](=O)Cc1ccccc1NC(=O)Nc1ccc(O)c(Cl)c1 192266885 PCHYHWOTMSUDOY-QFIPXVFZSA-N 338.816 3.568 0 50 EHAA Cc1ccc(N2CCC(NCc3nc(C4CC4)no3)CC2)cc1Cl 1506419577 SMISKIIXXOQHTN-UHFFFAOYSA-N 346.862 3.667 0 50 EHAA Cc1cccc(CN(CCc2ccc(O)cc2)C[C@H]2CCCO2)c1 1529178076 HJMWNZMHQHIFML-OAQYLSRUSA-N 325.452 3.924 0 50 EHAA CCCO[C@@H]1CCCN(c2cc(C)nc(-c3ccccc3O)n2)C1 1704304100 MUOQZMUZOHCHFF-OAHLLOKOSA-N 327.428 3.553 0 50 EHAA COc1cc(OC)c(NC(=O)COc2ccccc2F)cc1Cl 5617145 HRTIVLQCOGOVRU-UHFFFAOYSA-N 339.750 3.514 0 50 EHAA 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339.778 3.671 0 50 EHAA Cc1ccc(N2CCOCC2)cc1NC(=O)N1CC[C@@H](C)C[C@@H](C)C1 253433267 UYIQINGUCDCEIT-HZPDHXFCSA-N 345.487 3.732 0 50 EHAA CSc1ccc(-c2nc(CN(C)Cc3ncc[nH]3)c(C)o2)cc1 71775481 PDWNNBMTIQVPMM-UHFFFAOYSA-N 328.441 3.727 0 50 EHAA COc1cnc(CN2CCC[C@H](CCc3ccccc3C)C2)cc1O 72161302 WVMBKBAYWVZBDL-QGZVFWFLSA-N 340.467 3.949 0 50 EHAA CN(C(=O)c1ccc(-c2cccc3cccnc23)cc1)c1ccn(C)n1 367671860 IHGPAWQDBMMEJT-UHFFFAOYSA-N 342.402 3.912 0 50 EHAA COc1cccc([C@H](C)NC(=O)c2c[nH]nc2-c2ccccc2F)c1 445692317 VEDKJNXOFILTKQ-LBPRGKRZSA-N 339.370 3.715 0 50 EHAA CC(C)c1noc([C@H]2CCCN2CCCC(=O)c2ccccc2)n1 77353406 HNDYHNJBBDOPAA-MRXNPFEDSA-N 327.428 3.993 0 50 EHAA Fc1ccccc1-c1n[nH]cc1CN1CCC([C@H]2CCCOC2)CC1 374737577 TYWHBOCEOKBGPX-INIZCTEOSA-N 343.446 3.854 0 50 EHAA O=C(N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1)c1cccc(O)n1 282734560 DWYMXGIDXLHJRX-XYPYZODXSA-N 337.206 3.770 0 50 EHAA O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72479896 JFYTUIHACCNKBW-MRXNPFEDSA-N 349.369 3.556 0 50 EHAA COCCC[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2F)n[nH]1 82126695 YLWDLUGWCDQUMQ-CQSZACIVSA-N 345.418 3.637 0 50 EHAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)c1csc(-c2cccs2)n1 82120665 GKGONAJFMMBUPT-UHFFFAOYSA-N 344.465 3.744 0 50 EHAA Cc1cc(C(=O)NCCCc2c(C)noc2C)c2ccc(F)cc2n1 82148224 JQMCLXPURNGIFQ-UHFFFAOYSA-N 341.386 3.650 0 50 EHAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N(C)[C@H](C)c3ccncn3)c2c1 92037960 KIXOFGQXNWYKSF-OAHLLOKOSA-N 336.439 3.645 0 50 EHAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CC(c2cccnc2)C1 91986667 BZCVGYJEUPKKTE-OAHLLOKOSA-N 332.403 3.628 0 50 EHAA CC[C@H](c1ccccn1)N(C)C(=O)c1c[nH]nc1-c1cccs1 426517609 RMCVAUAKPBOYSV-CQSZACIVSA-N 326.425 3.757 0 50 EHAA Cc1nc2ccc(NC(=O)N[C@H]3CCCc4sc(C)nc43)cc2[nH]1 96152246 UAFQHLCUCXWIRI-ZDUSSCGKSA-N 341.440 3.835 0 50 EHAA c1cncc(-c2ccnc(NCCCN3CCCc4ccccc43)n2)c1 96165493 MYLDQELLFFDMMM-UHFFFAOYSA-N 345.450 3.793 0 50 EHAA CCCOC[C@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 95361508 ASPSWRZFMQEILB-IBGZPJMESA-N 344.499 3.561 0 50 EHAA C[C@@H](CCc1ccccc1F)C(=O)N1CCC2(CCC(O)CC2)CC1 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344.480 3.574 0 50 EHAA Cc1cc(C(C)(C)C)cc(C)c1Cc1noc([C@H]2CC(=O)N(C)C2)n1 273852464 YJIAAYNTEZKKPF-AWEZNQCLSA-N 341.455 3.520 0 50 EHAA O=C(C1=CCOCC1)N1CCc2ccccc2[C@H]1Cc1ccccc1 187391267 YWFJBNASBGVAMB-OAQYLSRUSA-N 333.431 3.702 0 50 EHAA O=C(C[C@H]1C=CCCC1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 189043856 CUXPRCSXJVUEDR-UONOGXRCSA-N 341.377 3.812 0 50 EHAA COc1ccc2c(NC(=O)c3ccccc3Br)n[nH]c2c1 194821759 PRUGBMNFRQIQTJ-UHFFFAOYSA-N 346.184 3.586 0 50 EHAA Cc1c(N)c(I)cc(Br)c1Cl 117838657 MAQLFMRWDIWJBB-UHFFFAOYSA-N 346.393 3.598 0 50 EHAA COc1ccc(-c2ccc(/C=C3/SC(=O)NC3=O)o2)cc1Cl 1231372 AHNKTGYWNLDMJG-NTUHNPAUSA-N 335.768 3.933 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 5383801 UWWCJMRSYZRTMP-UONOGXRCSA-N 333.428 3.822 0 50 EHAA CCOC(=O)c1nocc1C(=O)c1ccc(Oc2ccccc2)cc1 12336463 BYSJNELHRVBXLK-UHFFFAOYSA-N 337.331 3.875 0 50 EHAA Cc1cccc(-n2c(C)c(C)c3c(NCc4ccco4)ncnc32)n1 13732236 UJYXAFLOLCFOBX-UHFFFAOYSA-N 333.395 3.946 0 50 EHAA N[C@H](CC(=O)N1CCC[C@H]1c1cccs1)c1ccc(F)cc1F 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N=c1cc(NCc2ccc(N3CCCCC3=O)cc2)c2ccccc2[nH]1 2325857158 RDRLIHYYMFWMCE-UHFFFAOYSA-N 346.434 3.776 0 50 EHAA COc1cccc([C@@]2(C)CCN(Cc3cn4cccc(C)c4n3)C2)c1 2325857443 BHVWALVACBLOTM-NRFANRHFSA-N 335.451 3.815 0 50 EHAA CCN(CC)C(=O)[C@H]1CCCN(Cc2c(C)[nH]c3ccccc23)C1 202226 RCTGGCWDQBJYOW-INIZCTEOSA-N 327.472 3.557 0 50 EHAA COc1ccc(C(=O)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 460197 YFOJMBGQAOFPME-UHFFFAOYSA-N 338.791 3.615 0 50 EHAA CCc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)s1 461352 URJVLKODQWMDMG-PTNGSMBKSA-N 328.462 3.915 0 50 EHAA CCc1c(C)sc(NC(=O)c2ccc(OC(C)C)cc2)c1C(N)=O 1056260 CIEIUJUQURGTNJ-UHFFFAOYSA-N 346.452 3.757 0 50 EHAA Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 1057036 WYPGWADLJAEDEV-UHFFFAOYSA-N 348.450 3.812 0 50 EHAA CCOC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccc(C)cc1 3627283 JMUDOPNJLMACFX-GOSISDBHSA-N 325.408 3.728 0 50 EHAA Cc1cc(C)c(S(=O)(=O)N[C@H](C)CCc2ccccc2)c(C)c1 4543800 XAVRWCLQCAJIGR-QGZVFWFLSA-N 331.481 3.911 0 50 EHAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1C 4912900 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COc1ccc(CC(=O)N[C@H]2CCCN(C3CCCCCC3)C2)cc1 20472873 FDMQLKLVORZYDG-SFHVURJKSA-N 344.499 3.541 0 50 EHAA CCCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2ccccc21 23634066 UJDWHTUENPHQKB-UHFFFAOYSA-N 327.815 3.869 0 50 EHAA CC1(C)C=Cc2c(c(Br)cc3c2OC(C)(C)OC3=O)O1 32099189 SLLYTDPSDVFHTF-UHFFFAOYSA-N 339.185 3.919 0 50 EHAA CCSCCN(C(=O)c1sc(N)nc1C)C1CCCCC1 55198678 MCHFMBQODCOCLS-UHFFFAOYSA-N 327.519 3.562 0 50 EHAA C[C@@H](Cc1ccccn1)NC(=O)CSCc1ccccc1Cl 55403588 QYKBFTFFWUAINE-ZDUSSCGKSA-N 334.872 3.716 0 50 EHAA Cc1cc(C)n([C@H](C)c2nc(C)nn2-c2cccc3cccnc23)n1 63870842 BKJOHICZTPTBTN-CQSZACIVSA-N 332.411 3.547 0 50 EHAA CCCn1ccnc1CN1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 65526419 VMRDOBFFVWSDBZ-IBGZPJMESA-N 347.466 3.740 0 50 EHAA CCCc1ncncc1C(=O)NCc1cc(F)cc2c(C)c(C)[nH]c12 67540635 MEVVZAVWNITZMB-UHFFFAOYSA-N 340.402 3.596 0 50 EHAA CCC1=NO[C@@H](Cn2cnc(-c3ccccc3)c2-c2cc(C)n[nH]2)C1 67871426 FTPFFZQLJVYYTC-MRXNPFEDSA-N 335.411 3.804 0 50 EHAA CCN1CCC[C@@H]1Cn1ccnc1-c1cnc(C2CCCCC2)nc1 71575376 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0 50 EHAA Cc1onc(-c2c(Cl)cccc2Cl)c1CN1CCOC1=O 95518843 VKNVQCHDOHXKBZ-UHFFFAOYSA-N 327.167 3.909 0 50 EHAA Cc1cc2c(NC(=O)N(C)[C@H](C)Cc3ncccc3C)cccc2nn1 96152271 GAFXZUCNLGFWLW-OAHLLOKOSA-N 349.438 3.737 0 50 EHAA O=C(NCCCc1nc2ccccc2[nH]1)N(C1CCCC1)C1CC1 119451868 KZLXRUQOUVRWJU-UHFFFAOYSA-N 326.444 3.612 0 50 EHAA CCC[C@@](C)(O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C 122413767 YDWFUHYILZNOSF-HXUWFJFHSA-N 340.423 3.737 0 50 EHAA Cc1coc(-c2cccc(NC(=O)c3cc(-c4ccco4)[nH]n3)c2)n1 154783189 MAHJMFIYGPQCPR-UHFFFAOYSA-N 334.335 3.885 0 50 EHAA c1ccc2nc(CN3CCC(OC[C@@H]4CCCCO4)CC3)ccc2c1 177586751 FTRIRWCBZOYNLB-FQEVSTJZSA-N 340.467 3.785 0 50 EHAA Cc1nc(CN(C)Cc2csc(-c3ccc(Cl)cc3)n2)no1 183692578 DPHZGYWTCPDBIM-UHFFFAOYSA-N 334.832 3.787 0 50 EHAA CCCN1C(=O)CCc2cc(NCc3cc(O)cc(F)c3)ccc21 185617990 GJVIXSDZPCHRJA-UHFFFAOYSA-N 328.387 3.833 0 50 EHAA O=C(NCc1nnc(C2CC2)o1)c1cc2c(s1)CCCCCC2 186911441 IYBQNRZCVTVTKT-UHFFFAOYSA-N 331.441 3.598 0 50 EHAA O=C1NCCN1Cc1ccccc1NCc1ccc(Cl)cc1F 187513870 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BHWSRIRFFLLETA-UHFFFAOYSA-N 326.324 3.857 0 50 EHAA Cc1ocnc1C(=O)Nc1ccc(Br)c2cccnc12 253393210 GQYGIVPUDJBQTP-UHFFFAOYSA-N 332.157 3.546 0 50 EHAA CCOc1ccc(Oc2ccc(NC(=O)C3(C(=O)O)CC3)cc2)cc1 262226464 MHWVFKZGVIAXQD-UHFFFAOYSA-N 341.363 3.681 0 50 EHAA CC(C)c1noc([C@@H](NC(=O)CC2=CCCCC2)C2CCOCC2)n1 275239002 FWQMLHNQNPXFQT-KRWDZBQOSA-N 347.459 3.667 0 50 EHAA Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c(C)o1 287978433 REVQYKYGRDNFAU-QRVBRYPASA-N 325.408 3.541 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(F)cc2cccnc12 299741012 CVADWYORZGCPAP-DQYPLSBCSA-N 328.387 3.592 0 50 EHAA CN(Cc1cc(C2CC2)on1)C(=O)Cc1ccccc1C(F)(F)F 299764290 ZECLEQSEBLFLJE-UHFFFAOYSA-N 338.329 3.772 0 50 EHAA Cc1cnc(C)c(-c2cccc(C(=O)N(C)C3CCSCC3)c2)n1 299802497 XLIRMRMBLWZCLY-UHFFFAOYSA-N 341.480 3.728 0 50 EHAA Cc1nc(O)c(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)nc1C 328588042 MUIIOBKUQLLEFS-QGZVFWFLSA-N 345.402 3.591 0 50 EHAA CC(C)c1cc(=NC2CCN(c3nccs3)CC2)[nH]c(C(C)C)n1 329295194 JXEWDRXPMOCBFW-UHFFFAOYSA-N 345.516 3.683 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc2c(c1)OCCCCO2 333518904 GOMHDLHUJQCSJJ-QGZVFWFLSA-N 341.455 3.915 0 50 EHAA Fc1ccc2c(c1)OCCC[C@@H]2NCCc1ccc2c[nH]nc2c1 342807846 HTPUNFVPYLRCHH-KRWDZBQOSA-N 325.387 3.748 0 50 EHAA c1ccc(-c2cnc([C@H]3CCCN(c4ncnc5[nH]ccc45)C3)[nH]2)cc1 364885772 LYTXVIPUZDXANZ-HNNXBMFYSA-N 344.422 3.732 0 50 EHAA O=C(c1ccc(O)cc1O)N1CCC(F)(c2ccc(Cl)cc2)CC1 369702029 HDLYEKAEEWONDJ-UHFFFAOYSA-N 349.789 3.852 0 50 EHAA CCc1oc(C(=O)N2CCc3ccccc3C2)cc1CN1CCCC1 426415240 DFDLPKWMWCBLRH-UHFFFAOYSA-N 338.451 3.636 0 50 EHAA Cc1nc(-c2c(C)noc2C)sc1C(=O)N(C)[C@@H](C)C1CCC1 450370689 AJIAPVDLKCTDSZ-NSHDSACASA-N 333.457 3.984 0 50 EHAA CO[C@]1(C)CCCN(C(=O)Nc2ccc(C(=O)C(C)C)cc2)CC1 455797621 OXRHGYZRUWKEHO-LJQANCHMSA-N 332.444 3.948 0 50 EHAA CC(C)(C)C[C@H](NC(=O)c1onc2c1CCCC2)c1cccnc1 670452052 ZNGPPXOLMJAQCZ-INIZCTEOSA-N 327.428 3.856 0 50 EHAA O=C(N[C@H]1CCOc2c1ccc(Cl)c2Cl)C1(O)CCCCC1 754742372 PKEUUXNOBIDUNG-LBPRGKRZSA-N 344.238 3.628 0 50 EHAA Cc1cncc(CNC(=S)Nc2cccc(C(F)(F)F)c2)c1 760229935 PKZDGSFCSUVAAB-UHFFFAOYSA-N 325.359 3.895 0 50 EHAA O[C@H](c1cc(F)ccc1F)C1CCN(Cc2ncc(C3CC3)o2)CC1 839157831 TYDHPXSYZDLXKT-IBGZPJMESA-N 348.393 3.776 0 50 EHAA CC(C)c1ncc(CN(C)c2nnc(-c3cccc(Cl)c3)o2)cn1 893684741 FJKWBRFYTWQZQZ-UHFFFAOYSA-N 343.818 3.940 0 50 EHAA Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](n2cncn2)C1 931991119 FSBIRMYYEGOVPI-QGZVFWFLSA-N 346.434 3.731 0 50 EHAA CCN1CC[C@@H](CN(CC)Cc2cc3ccc(Cl)cc3nc2O)C1 952973370 IQMPUASEQPOUKJ-CQSZACIVSA-N 347.890 3.758 0 50 EHAA NC(=O)[C@@H]1CC=CC[C@H]1NCc1ccc(SC2CCCCC2)o1 1506427015 WFFCBKNZBVRRBO-HZPDHXFCSA-N 334.485 3.614 0 50 EHAA CC[C@H]1C[C@@H](O)CC2(CCN(c3cc(C)nc4ccccc34)CC2)O1 1857695359 GFVHEKJXWVFZCP-SJORKVTESA-N 340.467 3.832 0 50 EHAA Cc1cccc(OC2CN(C(=O)c3c(-c4ccccc4)n[nH]c3C)C2)c1 1857727998 IYLDXGBXSCQJIK-UHFFFAOYSA-N 347.418 3.597 0 50 EHAA Cc1ccc([C@@H]2CCC[C@@H]2NCCn2cnc3ccccc3c2=O)cc1 1875305204 MJQDYUOMNNJJMB-ICSRJNTNSA-N 347.462 3.631 0 50 EHAA O=C(/C=C/c1ccc2c(c1)CCO2)O[C@@H]1CCC[C@@H]1c1cccnc1 2325742998 MCFHLUDWKFTLQX-GFMPNFHCSA-N 335.403 3.909 0 50 EHAA COc1ccc([C@H]2CC[C@H](Sc3nc4ncccn4n3)C2)cc1F 2325778431 ZBBDDOMGPZACFH-AAEUAGOBSA-N 344.415 3.700 0 50 EHAA CCc1cn2c(n1)C[C@@H](C(=O)N(C)c1ccc3ccccc3c1)CC2 2325779333 YZONRFQZTMWREN-KRWDZBQOSA-N 333.435 3.824 0 50 EHAA C[C@H](O)CC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 2325874976 CMJMCYDKBXLRBZ-LBPRGKRZSA-N 340.354 3.876 0 50 EHAA CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 473962 PERFVTPXBNGAJD-LBPRGKRZSA-N 347.798 3.923 0 50 EHAA CC(C)c1csc(CN2CCC[C@@]23CCCN(C(C)C)C3=O)n1 2356137242 UNQQWRQKDXJTEJ-SFHVURJKSA-N 335.517 3.632 0 50 EHAA CCN(CC)C(=O)Cn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 2478147 AZEAXSXFCQUCTK-UHFFFAOYSA-N 340.345 3.563 0 50 EHAA Cc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)C[C@@H]2C)cc1 2857707 SEEJGXIORJTIIK-HNNXBMFYSA-N 327.403 3.877 0 50 EHAA C[C@@H]1CN(Cc2ccccc2N[C@H](C)c2ccccn2)C[C@@H](C)O1 245586580 DZEJNBNUJPUNMH-BRWVUGGUSA-N 325.456 3.864 0 50 EHAA CC(=O)c1cccc(-n2nnnc2SCc2cccc(Cl)c2)c1 4856216 GFSZDCSRONDMGA-UHFFFAOYSA-N 344.827 3.811 0 50 EHAA Cc1ccc(-c2noc(CNC(=O)Nc3ccc(F)cc3)n2)cc1 6704663 RFZHSUOOOFQWSP-UHFFFAOYSA-N 326.331 3.506 0 50 EHAA CCOc1cccc(CN(CCO)Cc2cccc3cnccc23)c1 55183274 MWCQYJCXPVTBQG-UHFFFAOYSA-N 336.435 3.628 0 50 EHAA CC(C)c1nc2c(n1C)CCN(C(=O)c1c(F)cccc1Cl)C2 112670895 WHVHNRGLFKDHPG-UHFFFAOYSA-N 335.810 3.535 0 50 EHAA CCOC1CC2(CCN(C(=O)[C@H]3CCOc4ccc(Cl)cc43)C2)C1 342981620 CHXUFXPLMUXLHT-HVEKOLDVSA-N 349.858 3.624 0 50 EHAA Fc1ccc(F)c(CN[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c1 20783651 KBFBIOPKBPODKV-LJQANCHMSA-N 342.433 3.686 0 50 EHAA COc1cc2c(cc1-c1nc3c([nH]1)c(-c1cccnc1)nn3C)CCC2 23581617 GWVKLYGNCAHKGI-UHFFFAOYSA-N 345.406 3.523 0 50 EHAA COc1ccccc1[C@@H](NC(=O)Nc1cccc(C)n1)c1ccccn1 124779312 GQBRVLYFFBBNPD-LJQANCHMSA-N 348.406 3.705 0 50 EHAA CC(C)[C@@H](CNCc1ccn(Cc2ccccc2)c1)c1ccnn1C 252500644 SZQUBLVOGOEOHT-HXUWFJFHSA-N 336.483 3.799 0 50 EHAA CC(=O)Nc1ccc2nc(CN3CCC[C@@H]3c3ccccn3)ccc2c1 215752364 KSOWXYYGIVLFCR-OAQYLSRUSA-N 346.434 3.925 0 50 EHAA Cc1ncc(Cl)c(C(=O)Nc2ccn(-c3ccccc3Cl)n2)n1 158580121 UHQWAWREAWWXII-UHFFFAOYSA-N 348.193 3.530 0 50 EHAA O=C(O)Cc1ccccc1NC(=O)c1cncc(-c2ccccc2)c1 238102692 ZCNCCKFWTPYEFM-UHFFFAOYSA-N 332.359 3.628 0 50 EHAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cccc2ccnn12 72428427 RXZZDYPOZYOYAR-UHFFFAOYSA-N 348.431 3.730 0 50 EHAA Cc1ccc(C)c([C@@H]2CN(C(=O)c3cn(C(C)C)cn3)[C@H](C)CO2)c1 282680827 JGTXPRLVJPOKLT-APWZRJJASA-N 341.455 3.683 0 50 EHAA CCNc1ncc(CN2CCC[C@@H](CCc3ccccc3F)C2)cn1 71552122 LEOTWUYLBGQMGF-INIZCTEOSA-N 342.462 3.892 0 50 EHAA Cc1cc(Cl)ccc1OCC(=O)N1CCC(c2ccncc2)CC1 77456802 CMZYPHLHBOOCEG-UHFFFAOYSA-N 344.842 3.828 0 50 EHAA Cc1noc([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)C2)n1 241301081 LQFFNBNXSINEGX-MWDXBVQZSA-N 346.475 3.626 0 50 EHAA COc1cccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 44920451 FITZICAYEQTBDW-KRWDZBQOSA-N 337.379 3.675 0 50 EHAA C[C@H]1CCc2c(sc3nc(S)n(-c4ccc(O)cc4)c(=O)c23)C1 17071903 YBPDGJIGKTWBFX-VIFPVBQESA-N 344.461 3.566 0 50 EHAA Cc1ccc(Cl)c(NC(=O)CSc2nnc(C(C)C)n2C)c1 17071066 PHOABGJUJBAQOQ-UHFFFAOYSA-N 338.864 3.631 0 50 EHAA CC(=O)N[C@@H](C)c1ccc(-c2cccc(C(=O)NCC3CC3)c2)cc1 426574994 JUXLTODTVGHAJD-AWEZNQCLSA-N 336.435 3.691 0 50 EHAA O=C(NCc1cccs1)N1CCCC[C@H]1CCc1ccccn1 426423199 ZYLAZXIADWUDQS-INIZCTEOSA-N 329.469 3.840 0 50 EHAA Cc1n[nH]c(C)c1-c1ccc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cc1 426627648 ICERSOIHGAKDLV-QGFMHUBQSA-N 335.451 3.812 0 50 EHAA C[C@H]1CCCCN1C1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C1 244788072 QIUUCSPEYMCHNK-HNNXBMFYSA-N 344.890 3.584 0 50 EHAA O=C(CC1=CCCC1)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244811573 SHCKWQSMHVWHDM-CDXJDZJCSA-N 336.435 3.663 0 50 EHAA Cc1cc(C)n(CCCN(C)Cc2cncn2C2CCCCC2)n1 252496831 PSPYGOWHHXHUAG-UHFFFAOYSA-N 329.492 3.724 0 50 EHAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc4cc(C)oc34)[C@H]2C1 299792422 FYIAJQYUGKUVRY-OXFYSEKESA-N 343.423 3.540 0 50 EHAA COc1ccccc1-c1n[nH]c2c1CN(C[C@@H]1C[C@@H]3C=C[C@H]1C3)CC2 43631720 JSYHVEIWFWCRKC-PMPSAXMXSA-N 335.451 3.656 0 50 EHAA O=C(Nc1ncn(C2CCCCC2)n1)c1ccc(F)c2cccnc12 1336974263 QIRVCAHZKUDXMP-UHFFFAOYSA-N 339.374 3.723 0 50 EHAA C[C@@H](NC(=O)N1CCC[C@H]1Cc1ccnn1C)c1ccc(Cl)cc1 1340959527 ZYYXDDVZJKFQLR-DYVFJYSZSA-N 346.862 3.551 0 50 EHAA CCOc1ccc(O[C@H](C)c2nnc(-c3coc(CC)n3)o2)cc1 1341444499 FDXNZVUWBFXDQP-LLVKDONJSA-N 329.356 3.826 0 50 EHAA Cc1cccc(CN2C[C@@H]3CC[C@H]2CN(Cc2cscn2)C3)c1 1565530584 QVHFPXUGNBPKNH-MJGOQNOKSA-N 327.497 3.548 0 50 EHAA CCCO[C@H]1CCCN(C(=O)c2ccc3nc(S)oc3c2)CC1 170647604 SIXMSLKQRKCEED-ZDUSSCGKSA-N 334.441 3.538 0 50 EHAA CCCn1cc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cn1 170615596 SFHUJZKEXMHVTB-INIZCTEOSA-N 340.471 3.920 0 50 EHAA O[C@H]1Cc2ccccc2[C@@H]1Nc1ncc(Br)cc1Cl 170612336 FLDDFQZHWIGYBC-STQMWFEESA-N 339.620 3.568 0 50 EHAA O=C(Nc1nc2c(s1)COCC2)c1ccc(F)c(C(F)(F)F)c1 171018383 QPFXRCUIUBEHDR-UHFFFAOYSA-N 346.305 3.626 0 50 EHAA Brc1ccccc1CN1CCN(c2ccccc2)CC1 55543367 QDSUWCFUDBSVMO-UHFFFAOYSA-N 331.257 3.771 0 50 EHAA C[C@H](SC1=NCCS1)C(=O)N1CCC[C@H]1c1cccs1 193293405 VWBRZAPXWOTZML-QWRGUYRKSA-N 326.512 3.636 0 50 EHAA COc1ccc2oc(C)c(C(=O)N[C@@]3(C)CCCC[C@H]3C(=O)O)c2c1 762219609 AZSBDGPCGQBEEL-LIRRHRJNSA-N 345.395 3.513 0 50 EHAA O=C1OC(c2ccccc2)=N/C1=C/c1ccc(Br)cc1 100695 FKVLAHXEKNXHCF-GXDHUFHOSA-N 328.165 3.794 0 50 EHAA COc1ccc(F)c(-c2nccn2-c2ccc3ncn(C)c3c2)c1F 1772812979 UFDKLZRPIGKTEH-UHFFFAOYSA-N 340.333 3.713 0 50 EHAA CC(C)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 5822560 WKFLQIDVNPBRGQ-UHFFFAOYSA-N 337.467 3.814 0 50 EHAA Cc1c(C(=O)NC2CCCC2)sc2ncnc(N3CCCCC3)c12 15008915 XKWIHZINXFBBMP-UHFFFAOYSA-N 344.484 3.662 0 50 EHAA COc1cc(/C=C/CN2Cc3ccccc3O[C@H](C)C2)ccc1O 19799249 DLIAMZAUSOPHKV-LLYBFZRZSA-N 325.408 3.697 0 50 EHAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccc2oc(C)cc2c1 1857672191 BKROMHNFQHEGDN-ZSZQSSIHSA-N 327.380 3.599 0 50 EHAA Cc1cnc([C@@H](C)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)o1 331876616 UQUGFIKIAXMFML-GHMZBOCLSA-N 328.338 3.666 0 50 EHAA Cc1noc2ncnc(N3CC[C@@H]3c3ccc(Br)cc3)c12 664577910 KZMOFEHKCQTAMB-GFCCVEGCSA-N 345.200 3.640 0 50 EHAA O=C(NCc1ccc(F)cc1F)c1ccc(F)cc1OC(F)F 486802716 UTJUOKTUIYHHKO-UHFFFAOYSA-N 331.240 3.635 0 50 EHAA Oc1ccc2c(c1)CCN(Cc1cc3c(Cl)nccc3o1)CC2 876653479 QYZQESZVHOJUOY-UHFFFAOYSA-N 328.799 3.788 0 50 EHAA COc1cc(C)c(-c2noc([C@H](C)Oc3ccc(Cl)nc3)n2)cn1 1875305345 APVHQIFQDYOGMK-JTQLQIEISA-N 346.774 3.637 0 50 EHAA COC(=O)c1nc(=N[C@H](C)c2cccc3ccccc23)c2c([nH]1)CCC2 1875354925 TYDSEXDDQNMQCN-CYBMUJFWSA-N 347.418 3.500 0 50 EHAA CCN(CC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12 4418052 IRWXSCFAEGONJE-UHFFFAOYSA-N 334.419 3.896 0 50 EHAA CN1CCN(C(=O)NC[C@@H]2CCCC(C)(C)C2)C[C@@H]1c1cccs1 2325842853 KRTNGFZJBIERQH-HZPDHXFCSA-N 349.544 3.963 0 50 EHAA Cc1cnn(CC2CCN(C(=O)NC[C@@H]3CCCC(C)(C)C3)CC2)c1 2325842965 OAYFNCMVFNUEIW-GOSISDBHSA-N 346.519 3.830 0 50 EHAA COC(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 38552 XBGOMSJWPKVYRG-UHFFFAOYSA-N 348.196 3.796 0 50 EHAA COc1cc(OC)cc(C(=O)Nc2cc(C)c(Cl)cc2OC)c1 98162 OCRDLGWCZAGWDI-UHFFFAOYSA-N 335.787 3.927 0 50 EHAA CCSc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1 175115 DQEYRGMRRULUGG-UHFFFAOYSA-N 329.834 3.564 0 50 EHAA O=S(=O)(c1ccc(Cl)cc1)N1CCS[C@@H]1c1ccccc1 207565 LSCHGAUSOZOAEA-OAHLLOKOSA-N 339.869 3.776 0 50 EHAA CCN(CC)S(=O)(=O)[C@H]1CC2c3ccccc3C1c1ccccc12 283697 PQYCKRXLFNJWBK-GPJFCIFZSA-N 341.476 3.708 0 50 EHAA CCOC(=O)c1ccc(Oc2coc3cc(OC)ccc3c2=O)cc1 463283 NSUPEYOYHHSDCS-UHFFFAOYSA-N 340.331 3.771 0 50 EHAA biogenic CC1(C)C[C@@H]([C@H](CCN2C(=O)CCC2=O)c2ccccc2)CCO1 4120581 ZNHQKOHIYQFFOG-DLBZAZTESA-N 329.440 3.515 0 50 EHAA C[C@H](O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 4264950 SCPADBBISMMJAW-FLYQNOFQSA-N 336.516 3.502 0 50 EHAA CC(=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 4533278 WOUWWZYKGYDVMI-LWYMYGHISA-N 332.484 3.774 0 50 EHAA CCOc1cc(Cl)c(S(=O)(=O)Nc2ccccn2)cc1Cl 4660781 NLAWVMDKQPBJPC-UHFFFAOYSA-N 347.223 3.588 0 50 EHAA O=C([C@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCCCCC1 4744916 BKCYIAHMYRQOMY-KRWDZBQOSA-N 334.891 3.955 0 50 EHAA Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=O)CC(C)(C)C2 4821136 WWXLJWTUKQKOHV-UHFFFAOYSA-N 341.363 3.724 0 50 EHAA c1ccc(-c2nnc3n2N=C(c2c[nH]c4ccccc24)CS3)cc1 4833337 WXXLBCVHKCPIFY-UHFFFAOYSA-N 331.404 3.785 0 50 EHAA COc1ccc(Cl)cc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)O 6731395 GARMDYLWECVQLZ-STQMWFEESA-N 337.803 3.734 0 50 EHAA Cc1ccccc1NC(=O)CSc1nnc(C2CCCC2)n1C 6741536 ZNDWDBMTEVILOV-UHFFFAOYSA-N 330.457 3.512 0 50 EHAA COC[C@H]1CCCCN1Cc1nc(-c2ccc(OC)c(C)c2)oc1C 12458120 ORDKWIFDDVEYBN-QGZVFWFLSA-N 344.455 3.968 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3F)C2)no1 15073018 KKAJBXCMTYVFNT-ZDUSSCGKSA-N 334.366 3.746 0 50 EHAA Cc1cccc(C)c1OC[C@@H](O)Cn1c(C2CC2)nc2ccccc21 16903127 RBTSXYDZWLLEMA-KRWDZBQOSA-N 336.435 3.970 0 50 EHAA COc1ccc(C(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1OC 36620864 OOLWEOAZEULAOM-KRWDZBQOSA-N 325.408 3.990 0 50 EHAA Cc1ccc(CNC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)s1 45677071 SVYDGULSDSGMHI-MRXNPFEDSA-N 346.452 3.936 0 50 EHAA Fc1ccc(-c2n[nH]cc2CNCc2cc(-c3cccnc3)no2)cc1 55211882 RWAKTTMFMWIQDR-UHFFFAOYSA-N 349.369 3.556 0 50 EHAA CC(C)c1csc(CN2CCc3[nH]cnc3[C@@H]2c2ccoc2)n1 67818064 VRUPLEDZTJOMBW-KRWDZBQOSA-N 328.441 3.730 0 50 EHAA O=C(NCc1cc(F)ccc1F)c1csc(Cc2ccccc2)n1 82097740 VQJWYHHDPGZCQR-UHFFFAOYSA-N 344.386 3.942 0 50 EHAA CSc1ccccc1C(=O)N1CCCC[C@H]1CCn1cccn1 82106833 BDPDJCJYIHTIDW-HNNXBMFYSA-N 329.469 3.690 0 50 EHAA Cc1cc(F)ccc1CN1CCC2(CC1)Nc1ccccc1NC2=O 82155593 PSQMUDINHIZAHP-UHFFFAOYSA-N 339.414 3.533 0 50 EHAA O=C(NCCC[C@@H]1CCOC1)Nc1cccc(C(F)(F)F)c1F 95505820 ZBXJXLAQUWUIFX-SNVBAGLBSA-N 334.313 3.783 0 50 EHAA CCCN(C)Cc1cccc(OC[C@H](O)CN(C)C2CCCCC2)c1 95525532 YFALZZNRTWPIDR-HXUWFJFHSA-N 348.531 3.533 0 50 EHAA Cc1ccc2nc(CCCNC(=O)c3cc(C(C)C)no3)oc2c1 97730077 ZDWHUTYMLRLGQH-UHFFFAOYSA-N 327.384 3.610 0 50 EHAA CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 100642885 BGSXOCGHVSTTQK-GHMZBOCLSA-N 332.450 3.698 0 50 EHAA O=C(Nc1cnn(-c2ccccc2)c1)c1cnc(Cl)c(Cl)c1 122369364 WVHPZJSAHVQMOO-UHFFFAOYSA-N 333.178 3.826 0 50 EHAA Cc1nc(C)c(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)s1 130549692 SYBRVSJAGOMAQQ-UHFFFAOYSA-N 343.452 3.557 0 50 EHAA CCC[C@@H](C(=O)NC[C@@H](N)c1ccc(F)cc1F)c1ccccc1 170676217 PTVHQEOFGYVBCP-CRAIPNDOSA-N 332.394 3.665 0 50 EHAA COC(=O)c1ccc(Cl)c(NC(=O)c2coc(C3CCC3)n2)c1C 194897411 RAIOEHUNBNYLQZ-UHFFFAOYSA-N 348.786 3.943 0 50 EHAA O=C(Cc1ccc(Cl)cn1)Nc1ccc(O)c(C(F)(F)F)c1 225811274 CLFSTMWGYCWAQN-UHFFFAOYSA-N 330.693 3.641 0 50 EHAA O=C(O)Cc1ccccc1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12 238084345 LLSCCVUOCFYHFJ-UWJYYQICSA-N 335.403 3.546 0 50 EHAA CO[C@@H](C)c1nsc(NCc2ccc(F)cc2Br)n1 253398157 NCJRFTBBAOIZNG-ZETCQYMHSA-N 346.225 3.759 0 50 EHAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCCC[C@H]2c2ccnn2C)o1 253426749 OOXSSURAMUWYIH-KDOFPFPSSA-N 344.459 3.579 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 257346281 XHCCPSKYYJBSAA-JQGKXSOJSA-N 332.484 3.774 0 50 EHAA CC(C)c1[nH]ccc1C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 285935778 BEWSOPYIEKHNBI-WBVHZDCISA-N 330.403 3.927 0 50 EHAA O=C(Nc1ccc(SCc2ccco2)cc1)N1CCCC[C@@H]1CO 299799288 QVULTCGEUCKYNU-OAHLLOKOSA-N 346.452 3.951 0 50 EHAA O=C(c1csc(C2CCCCC2)n1)N1CCC[C@@H](c2ncc[nH]2)C1 334046630 QFZONNRZOHWECG-CQSZACIVSA-N 344.484 3.934 0 50 EHAA Cc1nc([C@H](C)NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n[nH]1 348085719 XYKDNLPZAJICBX-NSHDSACASA-N 333.395 3.567 0 50 EHAA Cc1csc([C@@H]2CN(c3ncc(Cl)cc3Cl)CCO2)n1 376571035 NQUJZIMPJIKCOV-NSHDSACASA-N 330.240 3.731 0 50 EHAA C[C@@H]1NCCC[C@@H]1C(=O)Nc1c(F)cccc1Oc1ccccc1 423164647 OQZTUSPOBKPIRU-ZFWWWQNUSA-N 328.387 3.945 0 50 EHAA CN(CCC[C@H]1CCCO1)C(=O)NC1(c2cccc(Cl)c2)CC1 584894885 MYIPGKKBIQANQD-INIZCTEOSA-N 336.863 3.930 0 50 EHAA O=C(O)Cc1cccc(C(=O)N2CCC[C@H]2c2ccccc2Cl)c1 653642272 RNSSNJVKNFZKCS-KRWDZBQOSA-N 343.810 3.944 0 50 EHAA O=C(CCc1ccncc1)Nc1ccc(OC[C@H]2CCCCO2)cc1 828057175 IBKRCXXFEWHZGQ-LJQANCHMSA-N 340.423 3.601 0 50 EHAA CC(C)(C)Oc1cccc(CN2CCCC[C@H]([C@@H]3CCOC3)C2)n1 1460919757 BSUCZPGMVOFDBI-DLBZAZTESA-N 332.488 3.898 0 50 EHAA Cc1nc(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)cs1 1529125065 HUERNKPNLHCYSK-SJORKVTESA-N 330.453 3.690 0 50 EHAA CCC[C@]1(CO)CN(c2cc(C)c3ccc(Cl)cc3n2)CC[C@@H]1O 1529142235 IFMQWUIXKWMTIZ-PKOBYXMFSA-N 348.874 3.546 0 50 EHAA Cc1cccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c1Cl 1529177627 BVCHSIVEWGHHSD-GEEKYZPCSA-N 334.891 3.839 0 50 EHAA Oc1cc(CN2CCC[C@@]3(CCC[C@H]3O)C2)nc2c(Cl)cccc12 1704339756 LXNRZSUWJOTBPH-MJGOQNOKSA-N 346.858 3.721 0 50 EHAA COc1ccc2nc(C(F)(F)F)[nH]c(=N[C@H]3CC[C@H](C)C3)c2c1 1875357786 WSIZLHZXGJEMIK-UWVGGRQHSA-N 325.334 3.680 0 50 EHAA Cc1csc(CCN(C)Cc2ccc3ccc(F)c(F)c3n2)n1 2325784189 HAMLLDSUEBIPKN-UHFFFAOYSA-N 333.407 3.952 0 50 EHAA CC[C@H]1CCc2sc(C(=O)N3[C@H](C(=O)O)CCC3(C)C)cc2C1 2325791147 ZBNTZAYLPJSKMY-AAEUAGOBSA-N 335.469 3.731 0 50 EHAA O=C(NCc1cccnc1)c1cc(-c2ccccn2)nc2ccccc12 217194 ZFXXJBNCWUAKNS-UHFFFAOYSA-N 340.386 3.622 0 50 EHAA CCOc1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc2c1 267116 DBASDJIVNFVHRW-UHFFFAOYSA-N 333.453 3.803 0 50 EHAA Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 315163 VQVYMUHIIVSNQP-ZDUSSCGKSA-N 328.799 3.640 0 50 EHAA S=C(NC[C@H]1CCCO1)Nc1ccc(Oc2ccccc2)cc1 468581 HMNMMZPZLJVXAM-QGZVFWFLSA-N 328.437 3.944 0 50 EHAA O=C(/C=C/c1c(F)cccc1Cl)NCc1ccc2c(c1)OCO2 476788 QQKMXXSRBWCGEI-FNORWQNLSA-N 333.746 3.537 0 50 EHAA CC(=O)c1cccc(NC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1 1741652 CFPKJZIJDPFNPS-UHFFFAOYSA-N 337.331 3.915 0 50 EHAA Cc1nc(-c2ccnc(N)n2)cn1Cc1c(Cl)cccc1Cl 2557486 CKSSZTMRRVJNNG-UHFFFAOYSA-N 334.210 3.586 0 50 EHAA in-vivo CCCOc1ccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)cc1 2818012 YGTGZMDOSJTTTG-UHFFFAOYSA-N 341.363 3.661 0 50 EHAA Cc1cccc(C(=O)Nc2ccc(Cl)cc2N2CCOCC2)c1 4840378 HVDCCOSTZWGASG-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1 4856268 FOBGIFXTPZFDHV-HNNXBMFYSA-N 340.423 3.623 0 50 EHAA CN(c1ccccc1)n1c(-c2ccccc2)nc2ccccc2c1=O 5017529 SCMNANDHBGZBBC-UHFFFAOYSA-N 327.387 3.963 0 50 EHAA CC(C)(C)CC(C)(C)NC(=O)c1ccc(-n2cnnc2)cc1Cl 6703596 LQIUGCJVODJADT-UHFFFAOYSA-N 334.851 3.865 0 50 EHAA C[C@@H]1CCc2c(sc3nc(-c4ccc5c(c4)OCO5)[nH]c(=O)c23)C1 9692012 LXLSMGYPVCDOOL-SECBINFHSA-N 340.404 3.505 0 50 EHAA c1cncc([C@H]2CCCCN2Cc2nc(-c3cccs3)no2)c1 12204641 GSQMPOJXZZVNIT-CQSZACIVSA-N 326.425 3.920 0 50 EHAA O[C@H](CNCCc1ccccc1)COc1ccc(Cl)cc1Cl 16667261 GLJKARWGODVVFI-OAHLLOKOSA-N 340.250 3.565 0 50 EHAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@H](C)O[C@H](C)C1 18101809 TVTRXQKNMOSKHX-PHIMTYICSA-N 334.803 3.553 0 50 EHAA CN(Cc1cnc2ccccc2n1)Cc1c[nH]nc1-c1ccc(F)cc1 55226231 NCMOZWBHJOCPKX-UHFFFAOYSA-N 347.397 3.791 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1Cl 59740624 RCQYHVBOOBIBTI-ZDUSSCGKSA-N 336.863 3.872 0 50 EHAA Cc1ccc([C@H](C)NC(=O)CNC23CC4CC(CC(C4)C2)C3)cc1 65381297 TVNWTKGGILLMTJ-SIHNGCNOSA-N 326.484 3.731 0 50 EHAA CCn1ccc2ccc(CN3CCC(O)(c4ccc(C)cn4)CC3)cc21 67872586 PNLRONVHBFUGIB-UHFFFAOYSA-N 349.478 3.848 0 50 EHAA CN(Cc1cc(-c2cccs2)n[nH]1)C[C@@H]1CCCN2CCCC[C@H]12 72150318 ZQJSULCYULMYOQ-MAUKXSAKSA-N 344.528 3.835 0 50 EHAA Cc1ccccc1NC(=O)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12 72161979 OMKWJNBPBVDHCR-FQEVSTJZSA-N 335.407 3.513 0 50 EHAA CC[C@@H](C(=O)N(C)Cc1csc(-c2ccccc2)n1)n1cccn1 72479836 TWGNNFOUWSDDJW-INIZCTEOSA-N 340.452 3.616 0 50 EHAA CN(Cc1ccc(-n2ccnc2)cc1)Cc1cc(-c2cccnc2)no1 77455685 LNNUMPAJTPPECK-UHFFFAOYSA-N 345.406 3.554 0 50 EHAA C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1cc(=O)[nH]c2ccccc12 91410849 BMIHIQQLKMXVQE-CYBMUJFWSA-N 345.402 3.843 0 50 EHAA O=C(Nc1ccc(Cl)c2ncccc12)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 97334345 FILPQRZUIUQROS-CRJCFHLZSA-N 343.814 3.529 0 50 EHAA CCC[C@@H](C)c1nnc(NC(=O)C23CC4C[C@@H](C2)C(=O)[C@@H](C4)C3)s1 102319221 VGNJTRYNECWOBD-XSXAOBSASA-N 347.484 3.776 0 50 EHAA CCc1noc(C)c1NC(=O)Nc1nnc(/C=C/c2ccco2)s1 120435749 PSIBZGHMNZBYGK-VOTSOKGWSA-N 345.384 3.804 0 50 EHAA C[C@@H](C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl)c1cccs1 151889682 OCAHMFFWYUGYNX-SNVBAGLBSA-N 336.844 3.846 0 50 EHAA Cc1ccc([C@@H](C)C(=O)Nc2ccc(C)c(O[C@H](C)C(=O)O)c2)cc1 170067797 IOUHBHZLGHKSOZ-HUUCEWRRSA-N 341.407 3.898 0 50 EHAA Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC[C@H]1C[C@H](C)O 170075795 DJPBPHIPZNNWEA-WFASDCNBSA-N 345.468 3.886 0 50 EHAA Cc1ccc(NC(=O)C2CC2)cc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 170595384 DXWVIULFMMBWTJ-JQHSSLGASA-N 326.440 3.713 0 50 EHAA Cc1nc(CN2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)no1 186858670 DMDLVKOVNBNERC-CYBMUJFWSA-N 343.374 3.687 0 50 EHAA COCc1cccc(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)c1 190255414 POUOEPUQPCDLCV-UHFFFAOYSA-N 335.407 3.888 0 50 EHAA CCN(C(=O)Nc1nnc(-c2cc3ccccc3o2)s1)C1CC1 191781467 MKNNZFQQPKGXOU-UHFFFAOYSA-N 328.397 3.968 0 50 EHAA C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc(NCCc2ccccc2)cc1 193218208 YUOYYSGSZIKAFM-UZLBHIALSA-N 338.451 3.952 0 50 EHAA O=C(c1ccc(F)c(O)c1)N1CCCC[C@H]1CCc1ccccn1 215514918 PZRJLEBFHBUVQI-INIZCTEOSA-N 328.387 3.554 0 50 EHAA Cc1ccc2nc([C@@H](C)NC(=O)CCCN3CCCCCC3)[nH]c2c1 221334329 GXZKTYAFUYWPLV-MRXNPFEDSA-N 342.487 3.705 0 50 EHAA CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)Cc1cccc(C)c1 242106145 WHHJYGMTJGFRMO-UHFFFAOYSA-N 328.437 3.833 0 50 EHAA O=C(NCc1ccccc1-c1ccc(Cl)cc1)N1CC[C@H](CO)C1 265783139 HKEKSJCDDFATBA-AWEZNQCLSA-N 344.842 3.531 0 50 EHAA Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@H]2CCO[C@@H](C)C2)cc1 272109666 QZHVZDMBXPAPKC-HOCLYGCPSA-N 343.389 3.744 0 50 EHAA COc1cccc(CN2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1OC 275523109 LFCOJJGNWMKNLI-QGZVFWFLSA-N 341.455 3.643 0 50 EHAA Cc1noc(C)c1NC(=O)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 287057980 QRJBTJSWLHIUHS-HOTGVXAUSA-N 325.412 3.607 0 50 EHAA Oc1ccc2c(c1)[C@H](NCc1cccc3c1OCCCO3)CCC2 291296623 SCYVMFUTHJHRIM-GOSISDBHSA-N 325.408 3.721 0 50 EHAA Cc1ccccc1C1CC(NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 328630988 JZYFRRKTRVPOCQ-OBMFMMATSA-N 335.495 3.919 0 50 EHAA Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc(Cl)c(N)c1Cl 331892904 XTEQIABUZXDNTI-ZDUSSCGKSA-N 338.238 3.891 0 50 EHAA CN1CCC(N(C)C(=O)c2ccc(-c3ncccc3Cl)cc2)CC1 426511708 PRZSYDFPTMRVMG-UHFFFAOYSA-N 343.858 3.568 0 50 EHAA Cc1ccc(-c2ccc(NC(=O)[C@@H](C)OCCC(C)C)nc2)cn1 452152390 RDJYKIXJLSHJSC-OAHLLOKOSA-N 327.428 3.842 0 50 EHAA COCc1ccc(CNc2ccc(Cl)c(S(C)(=O)=O)c2)cc1 453105642 FSGRLMBZMZHHSR-UHFFFAOYSA-N 339.844 3.502 0 50 EHAA O=C(NCC1=CCCCC1)N1CCCN(Cc2ccccc2F)CC1 534640918 KJZSIUMUJRTHII-UHFFFAOYSA-N 345.462 3.543 0 50 EHAA Cc1ccc([C@H](O)CNC(=O)CCSc2ccccc2Cl)cc1 762329790 JMGUPWKRVXPYAK-MRXNPFEDSA-N 349.883 3.980 0 50 EHAA CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1nnc(O)c2ccccc12 885238865 IHTQXOPDHYOLDR-OAHLLOKOSA-N 347.418 3.744 0 50 EHAA CCO[C@]12CCC[C@@]1(NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)CCO2 889809722 UXGLXGRFFGRCCV-BWPNAZKDSA-N 347.430 3.511 0 50 EHAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)N(C)Cc1c(C)cccc1C 893066647 VMSMKYFTJXYQDC-LJQANCHMSA-N 338.455 3.621 0 50 EHAA Cn1cc(C2CCN(Cc3nccc(Cl)c3Cl)CC2)cn1 952883101 WRXBAKYXSYBRPZ-UHFFFAOYSA-N 325.243 3.502 0 50 EHAA Cc1ccc2nc([C@@H](NCc3nc(C)c(C)n3C)C(C)C)[nH]c2c1 952965652 FRYGDVQLRCBBMZ-SFHVURJKSA-N 325.460 3.709 0 50 EHAA CN1CCC[C@@H](c2nc(-c3ccc(Oc4ccccc4)nc3)no2)C1 1248065945 KETSBKOIXXBMLY-OAHLLOKOSA-N 336.395 3.733 0 50 EHAA Cc1cc(-n2ccnc2)ccc1C(=O)OCc1ccc2c(c1)C[C@@H](C)O2 2325855459 BHTRMLBBRBUZSI-OAHLLOKOSA-N 348.402 3.861 0 50 EHAA CCCN1CCC[C@@]2(CCCN2C(=O)Nc2cc(C)cc(C)c2)C1=O 2356137361 WPBGKTNCEOVTRT-HXUWFJFHSA-N 343.471 3.702 0 50 EHAA Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 376412 STTRTBXMEUCHOF-UHFFFAOYSA-N 338.329 3.569 0 50 EHAA CCSc1nnc(NC(=O)c2cccc(Br)c2)s1 442373 ROLHOAHBCGQSBD-UHFFFAOYSA-N 344.259 3.665 0 50 EHAA CCOc1ccccc1C(=O)N1CCN(c2cccc(C)c2C)CC1 456373 QXQRDWJPYDCUQT-UHFFFAOYSA-N 338.451 3.665 0 50 EHAA O=C(/C=C/c1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 476444 UEEJYCXGENGNAP-FPYGCLRLSA-N 346.180 3.830 0 50 EHAA COc1cccc(C(=O)Oc2cc3oc(=O)cc(C)c3cc2Cl)c1 522046 MAGIJXHWHTZIBL-UHFFFAOYSA-N 344.750 3.983 0 50 EHAA biogenic COc1ccc(CCC(=O)Nc2ccn(Cc3cccc(C)c3)n2)cc1 1429797 YTCIJUGBGATDHL-UHFFFAOYSA-N 349.434 3.820 0 50 EHAA O=C(/C=C/c1ccccc1)Nc1nnc(CCc2ccccc2)s1 8742714 UBQUNRWUDKXACH-ACCUITESSA-N 335.432 3.975 0 50 EHAA COc1cc(CN2CCC[C@H](Nc3ccccc3)C2)cc2c1OCO2 15066077 PNSJLVVZLLBBET-KRWDZBQOSA-N 340.423 3.500 0 50 EHAA Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(C)C2=O)o1 15799625 RXGXTXPZYDROQY-ZSOIEALJSA-N 343.360 3.619 0 50 EHAA Fc1ccc(OCc2nnc(S)n2CCc2ccccc2)c(F)c1 17072249 QRNYQJDPRPUIKZ-UHFFFAOYSA-N 347.390 3.667 0 50 EHAA C[C@H]1CN(CCCCOc2ccccc2Br)C[C@H](C)O1 20166960 FIPKWASTKUDGBW-KBPBESRZSA-N 342.277 3.717 0 50 EHAA CCOC(=O)[C@H]1CCCN(Cc2ccc(OC)c3ccccc23)C1 23281192 DOLUUTGDNCGHCD-INIZCTEOSA-N 327.424 3.624 0 50 EHAA COc1ccccc1CN(Cc1cccnc1)C(=O)[C@H]1CC=CCC1 55090390 XXTGZJNQGBCJOR-SFHVURJKSA-N 336.435 3.975 0 50 EHAA Fc1ccc(/C=C/CN2CCC(n3cc(C4CC4)nn3)CC2)cc1 55326791 ZBLPJZUZTDETPY-OWOJBTEDSA-N 326.419 3.645 0 50 EHAA COc1ccc(CN(C)CCSc2ccc(C)cc2)cc1CO 55413651 ATDZRPUXULVABJ-UHFFFAOYSA-N 331.481 3.720 0 50 EHAA COC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1 55540296 LGLGCIXKNFHFJZ-KRWDZBQOSA-N 327.355 3.590 0 50 EHAA CCN1CCC[C@H](NC(=O)N2CCC(CCc3ccccc3)CC2)C1 62652553 SHEZKYYMMGSSOD-FQEVSTJZSA-N 343.515 3.525 0 50 EHAA CCCc1cnc(C)nc1N1CCN(C/C(C)=C/c2ccco2)CC1 65386430 HTLFLLBLHXOONC-DTQAZKPQSA-N 340.471 3.556 0 50 EHAA COc1cc(-c2nc3c(C)cccc3cc2CO)cc(OC)c1OC 67689089 MVMUZOLQVGLLIP-UHFFFAOYSA-N 339.391 3.728 0 50 EHAA COc1ccc2[nH]c(C(=O)N(CC3CC3)C[C@@H]3CCCO3)c(C)c2c1 67757589 HJDJXIUSNKEHTL-INIZCTEOSA-N 342.439 3.516 0 50 EHAA COc1cccc(C(=O)[C@H]2CCCN(c3cc(C(C)C)ncn3)C2)c1 71751657 VTIDOWJZBRVHHL-INIZCTEOSA-N 339.439 3.708 0 50 EHAA Cc1cc(Cl)ccc1C(=O)N1CCC(CCN2CCCC2=O)CC1 82134295 UBDFDSBLDVUJJC-UHFFFAOYSA-N 348.874 3.513 0 50 EHAA CC(C)c1cc(C(=O)N2CCC[C@H](C(=O)c3cccs3)C2)on1 91505485 PEFPCEAUYKUTBG-LBPRGKRZSA-N 332.425 3.595 0 50 EHAA Cc1cnccc1NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 121669539 MEXCNQJSCKEVGS-UHFFFAOYSA-N 338.455 3.518 0 50 EHAA CC(C)n1ccnc1CN1CCO[C@H](c2ccc(F)cc2Cl)C1 187877224 AMJCBWQSNHALLO-INIZCTEOSA-N 337.826 3.830 0 50 EHAA C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@H]2c2ccncc2)cn1 189646267 IDNRQDZAKNIEMG-GUYCJALGSA-N 325.416 3.618 0 50 EHAA Cc1cc(O)ccc1NC(=O)Nc1cnn(-c2ccccc2F)c1C 190118154 FZZKDCFFHLXWQN-UHFFFAOYSA-N 340.358 3.978 0 50 EHAA Cc1oncc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 223715341 AMZJLETUMPSBJN-INIZCTEOSA-N 327.771 3.551 0 50 EHAA CCOC(=O)c1c(CN2CCO[C@@H]3CCCC[C@H]32)oc2ccccc12 230186278 IASAEEYNPIUAJF-NVXWUHKLSA-N 343.423 3.753 0 50 EHAA CN(C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(F)cc1 241383344 MUNOVNOPDAJSKM-ZDUSSCGKSA-N 349.356 3.529 0 50 EHAA CO[C@H]1CC[C@H](NC(=O)C[C@H](c2ccccc2)c2ccco2)CC1 244659727 HHVJBXFNMGSLOD-KZNAEPCWSA-N 327.424 3.875 0 50 EHAA N[C@H]1C[C@H](c2cc(NCc3cccc4[nH]ccc34)nc(C3CC3)n2)C1 244882829 XZUVPFBAZYJZQI-SHTZXODSSA-N 333.439 3.652 0 50 EHAA CCN(C(=O)c1ncncc1Cl)c1ccc(C(F)(F)F)cc1 252485363 GSGHOYJRUBQRMS-UHFFFAOYSA-N 329.709 3.816 0 50 EHAA CSc1ccccc1[C@H](C)NC(=O)N[C@@H]1CCCc2cn[nH]c21 252504222 VIKIDVBQRUZYNB-SMDDNHRTSA-N 330.457 3.569 0 50 EHAA Cc1noc(C)c1CCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 280742640 SEHIZMFNEVZVCK-XJKSGUPXSA-N 336.794 3.689 0 50 EHAA COC[C@@H](C)n1ccc(-c2sc(NCc3ccco3)nc2C)n1 299794520 JQSZZVRZBDBJJD-LLVKDONJSA-N 332.429 3.728 0 50 EHAA COc1ccc(F)cc1CNc1cc(-c2n[nH]c(C)n2)ccc1C 361184996 BAIKPMYOAFWFAM-UHFFFAOYSA-N 326.375 3.848 0 50 EHAA CCCCN(Cc1ccc(C)s1)C(=O)NC[C@@H]1CCCCN1C 426596423 CSNMLIAAFQLJSW-INIZCTEOSA-N 337.533 3.853 0 50 EHAA COc1cc(CC(=O)NCCCCCc2ccc(F)cc2)ccc1O 450803060 JLCDSLABUTVWPQ-UHFFFAOYSA-N 345.414 3.612 0 50 EHAA O=C(NC1Cc2ccccc2C1)NC1(c2ccc(Cl)cc2)CC1 460227731 LSHXACPCWFBYDE-UHFFFAOYSA-N 326.827 3.796 0 50 EHAA CC[C@@H](CNC(=O)N1CCC(Sc2cccc(C)c2)CC1)N(C)C 534649844 MOAKBJONYYXUPM-INIZCTEOSA-N 349.544 3.601 0 50 EHAA CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@@H]2CCC(F)(F)C2)n1 675691498 ZXDWLYJVQYJXCF-LLVKDONJSA-N 349.381 3.952 0 50 EHAA CC(C)(C)c1coc(CNC(=O)Nc2ncc(C(F)(F)F)s2)n1 931049146 MHSBODVWNUYUOP-UHFFFAOYSA-N 348.350 3.769 0 50 EHAA C[C@@H](Cc1cccnc1)NC(=O)Nc1cc(C2(C)CCCC2)on1 931132645 QJVGYIVGCXCULO-ZDUSSCGKSA-N 328.416 3.654 0 50 EHAA O=C1C[C@H](n2ccnc2-c2ccncc2)CN1c1ccccc1Cl 1857728655 KWGCCKXOEWYTMK-AWEZNQCLSA-N 338.798 3.577 0 50 EHAA COc1cccc([C@H]2CCN(C(=O)[C@@H]3C[C@H]3[C@@H]3CCCO3)C2(C)C)c1 1875392167 SLJQOVYGIAZGHF-MKXGPGLRSA-N 343.467 3.605 0 50 EHAA Clc1cccc2ccc(N3CC[C@@H](Oc4ccncc4)C3)nc12 2325746756 POHRNPZXVBBKFP-OAHLLOKOSA-N 325.799 3.941 0 50 EHAA O=C(NCC[C@@H]1CCC[C@H]1O)c1occc1CSc1ccccc1 2325782194 CIBAVBHDZZTJGC-WMLDXEAASA-N 345.464 3.853 0 50 EHAA Cc1ccc2nc(C)c(C)c(C(=O)N[C@H]3CC[C@@H](C(=O)O)CC3)c2c1 2356152356 GFDMRZHBOYVIDT-GASCZTMLSA-N 340.423 3.533 0 50 EHAA COc1ccc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1C 209567 BXDDLXCGNUJAAA-UHFFFAOYSA-N 338.451 3.528 0 50 EHAA CCOC(=O)c1ccc(Nc2cc(C)nc(C)c2C(=O)OCC)cc1 211785 LUCUEMZQNUGLQG-UHFFFAOYSA-N 342.395 3.795 0 50 EHAA COc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 296864 UOHBRLPGXUKOGG-UHFFFAOYSA-N 325.393 3.774 0 50 EHAA Fc1ccc(N2CCN(C(=S)Nc3ccccc3Cl)CC2)cc1 450619 KQYIHEGRAARQLC-UHFFFAOYSA-N 349.862 3.998 0 50 EHAA COc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1OC 459578 OMFYGJPLWJYRIS-UHFFFAOYSA-N 335.787 3.683 0 50 EHAA COc1ccc(-n2nc(-c3ccc(Br)cc3)cc2N)cc1 2532560 IXGWWAXFXFUIPW-UHFFFAOYSA-N 344.212 3.893 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1Cl 4450255 SGZUPPQBLNRFAU-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA COc1ccc(-c2cc(N3CCN(C)CC3)c3ccccc3n2)cc1 4542893 KWCNMDPYNBVKML-UHFFFAOYSA-N 333.435 3.662 0 50 EHAA C[C@H](C(=O)c1ccc(Cl)cc1)n1nc(-c2ccco2)ccc1=O 4993437 FHJAHRQWYCJKLK-LLVKDONJSA-N 328.755 3.601 0 50 EHAA COc1cc(Cl)ccc1C(=O)Nc1ncnc2oc(C)c(C)c12 225398885 SUGPDZMCDGSTTF-UHFFFAOYSA-N 331.759 3.754 0 50 EHAA CCCCn1c(SCCCN(C)C)nnc1-c1ccc(OC)cc1 225530684 UFLSOXUZEFXNRX-UHFFFAOYSA-N 348.516 3.798 0 50 EHAA CCCCN1C(=O)[C@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 20064263 IRGKAQAPZJMEGP-QFIPXVFZSA-N 345.446 3.704 0 50 EHAA CCOc1ccccc1CN(C(=O)c1sc(OC)nc1C)C1CC1 55197398 NLDBLCPSVXYZGR-UHFFFAOYSA-N 346.452 3.664 0 50 EHAA CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 248336425 OIXXPYOHNRPZBT-LERXQTSPSA-N 345.336 3.730 0 50 EHAA OCCn1cnc(-c2ccccc2)c1-c1cc(F)ccc1-n1cccn1 65404018 MSZOUCYZUSAAMA-UHFFFAOYSA-N 348.381 3.534 0 50 EHAA CN1CCC(Cc2noc(-c3ccc([C@@H]4CCCO4)s3)n2)CC1 67714053 SQZBIKXLIUUCCJ-ZDUSSCGKSA-N 333.457 3.534 0 50 EHAA Cc1sc2ncnc(N3Cc4cnc(C(C)(C)C)nc4C3)c2c1C 67490393 VLIGNYFNXJXPGY-UHFFFAOYSA-N 339.468 3.916 0 50 EHAA COc1ccc(-c2nc(Cn3cnc(C)n3)c(C)o2)c2ccccc12 67741018 CXUFAFVBGHJKDQ-UHFFFAOYSA-N 334.379 3.760 0 50 EHAA O=C(NC[C@H]1CCCO1)c1cc(-c2ccc(Cl)cc2Cl)on1 815125 BJJJURJDGNMQLT-SNVBAGLBSA-N 341.194 3.557 0 50 EHAA Cc1cccn2cc(-c3ccc(I)cc3)nc12 4237829 QEKUPVIDHZZAAK-UHFFFAOYSA-N 334.160 3.914 0 50 EHAA biogenic O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)C1SCCS1 253416300 YCLJMHUKNBPCCA-UHFFFAOYSA-N 345.493 3.631 0 50 EHAA c1cncc(CO[C@@H]2CCCN(Cc3cccc4cnccc34)C2)c1 72152871 VDDPABGQTFWKMR-HXUWFJFHSA-N 333.435 3.811 0 50 EHAA CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 79036086 HDKVTZXQVFRBIC-UHFFFAOYSA-N 325.355 3.795 0 50 EHAA Cc1ncsc1CCN(C)Cc1c[nH]nc1-c1ccc(F)cc1 72427283 SPBASSVIWXIUPW-UHFFFAOYSA-N 330.432 3.655 0 50 EHAA Cc1ncc(CN(Cc2ccsc2)[C@H]2CC23CCNCC3)s1 261649746 HHOCSXWBTGZLPG-INIZCTEOSA-N 333.526 3.657 0 50 EHAA Cc1nnc([C@H]2CC23CCN(c2ncc(Cl)cc2Cl)CC3)o1 376220559 RCXFVMLMJURDRO-LLVKDONJSA-N 339.226 3.854 0 50 EHAA C[C@@]1(CN)CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1 261945626 JRUMYHOTRBZHRZ-KRWDZBQOSA-N 334.872 3.879 0 50 EHAA COc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2F)cc1F 127589425 BHEAXKFKQODFRE-UHFFFAOYSA-N 343.333 3.720 0 50 EHAA CC(C)CCc1ccc(NC(=O)NCc2ccc3cc[nH]c3n2)nc1 455961367 NTKXQUNNFWWKCE-UHFFFAOYSA-N 337.427 3.868 0 50 EHAA CN(C)c1cccc(-c2nnc(SCc3cccc(F)c3)n2C)c1 17071551 UADSWUPZIAPRBB-UHFFFAOYSA-N 342.443 3.980 0 50 EHAA COCCC[C@H]1CCCCN1C(=O)c1ccc(CN2CCCC2)cc1 95370857 BIKFWCSLXPOSKM-HXUWFJFHSA-N 344.499 3.704 0 50 EHAA Cc1noc(C)c1[C@@H]1CCCN1Cc1sc(N(C)C)nc1Cl 97413198 SOCXSFXPYFKQLP-NSHDSACASA-N 340.880 3.804 0 50 EHAA O=C(NCCc1ccncc1)c1ccc(-c2ccccc2Cl)o1 91848993 AOHQGARBNICNTR-UHFFFAOYSA-N 326.783 3.968 0 50 EHAA CO[C@@H]1CCCOC12CCN(C(=O)c1cccc3cc(C)oc13)CC2 97575048 UHQYKVUUJHUHKZ-QGZVFWFLSA-N 343.423 3.541 0 50 EHAA c1cc(-c2cc(CN3CCCC[C@@H]3c3nccs3)on2)ccn1 243914760 BKJRABLOZLKNSG-MRXNPFEDSA-N 326.425 3.920 0 50 EHAA Cc1ccc2nc(CN3CCC(c4nc(C(C)C)no4)CC3)cn2c1 244673911 HXXDVVHOWNHHGF-UHFFFAOYSA-N 339.443 3.529 0 50 EHAA CCc1nn2c(c1C(=O)N1CCCCCC1)N[C@H](c1ccccc1)C2 263617038 LUKSHCXZZWASIU-KRWDZBQOSA-N 338.455 3.629 0 50 EHAA CN1CCC[C@H](CCNC(=O)N(Cc2ccsc2)C2CCCC2)C1 584892851 RREBPCAWVPWJGG-MRXNPFEDSA-N 349.544 3.934 0 50 EHAA Cc1ccc(NC(C)(C)C(=O)N(C)C[C@H]2Cc3ccccc3O2)cc1 952988429 MBSQTCLIPGMOMS-GOSISDBHSA-N 338.451 3.648 0 50 EHAA Cc1oc2ccccc2c1C(=O)N1CCCCC[C@@H]1c1ncon1 189632326 OQFVIDWRDYMELF-CQSZACIVSA-N 325.368 3.882 0 50 EHAA CC(C)Nc1cccc(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 195555387 JAWKXUQFTYPRHZ-SFHVURJKSA-N 341.459 3.667 0 50 EHAA COCCNCCCOc1ccc2ccccc2c1Br 3460939 QSQQUHLTTFUKIS-UHFFFAOYSA-N 338.245 3.607 0 50 EHAA Cc1ccccc1OCc1nn2c(CSC(C)C)nnc2s1 1776110997 HWJOKWYKHVBFKC-UHFFFAOYSA-N 334.470 3.715 0 50 EHAA CCN(CC1CCN(CCc2ccccc2C)CC1)C(=O)C1CCC1 12052084 NSZRDAMNTBQYSJ-UHFFFAOYSA-N 342.527 3.898 0 50 EHAA CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(Cc3ncc[nH]3)C2)cc1 12317246 AYRPWESYQGABES-MRXNPFEDSA-N 325.456 3.802 0 50 EHAA COc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1OC 12380788 DWKSLPRHSTXRBR-NSHDSACASA-N 335.787 3.763 0 50 EHAA O=C(C[C@H](c1ccccc1)c1ccc(Cl)cc1)N1CCOCC1 14952935 QIBVTWOGNNNXBL-GOSISDBHSA-N 329.827 3.721 0 50 EHAA COc1cc(CNCCc2ccc(Cl)cc2)cc(OC)c1OC 19721112 SCRYGBBBABOUES-UHFFFAOYSA-N 335.831 3.698 0 50 EHAA Cn1ccc2cc(-c3nccn3CCCNc3cccnc3)ccc21 1857730759 WIOOEDVULBEVIV-UHFFFAOYSA-N 331.423 3.939 0 50 EHAA COc1ccc(CC[C@H](C)N[C@@H]2CCOc3ccccc32)cc1O 225424531 IHJHWGUWYOBRFJ-WMLDXEAASA-N 327.424 3.835 0 50 EHAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 13153375 QFVBCVIDAINDJL-OITMNORJSA-N 345.414 3.615 0 50 EHAA Fc1ccc2c(c1)CN(Cc1nc(CCc3ccccc3)no1)CC2 133943497 ZFOSOTAVAWRXPJ-UHFFFAOYSA-N 337.398 3.552 0 50 EHAA O=C(Nc1nnc2n1CCCC2)c1ccc(OC2CCCCC2)cc1 162653521 ATODJNFEQFIHAN-UHFFFAOYSA-N 340.427 3.578 0 50 EHAA COC(=O)CCc1cccc(NCC/C=C/c2cncc(OC)c2)c1 843296424 UBNAZZUDCMSTJF-ZZXKWVIFSA-N 340.423 3.711 0 50 EHAA CC[C@@H](NC(=O)c1ccc2nc(Cl)ccc2c1)c1ncc(C)[nH]1 2325855919 VAVJCFJEUMZZQW-CYBMUJFWSA-N 328.803 3.801 0 50 EHAA Cn1cc(CCNc2ccnc3c2CCC[C@H]3O)c2ccc(F)cc21 2325857044 MZXTVEBFLMTKDZ-LJQANCHMSA-N 339.414 3.737 0 50 EHAA Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 61434 XWDRPNUWNMUVSK-LLVKDONJSA-N 328.437 3.533 0 50 EHAA CCOC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 226820 DPXRIGGLPDJAJL-DGCLKSJQSA-N 339.317 3.720 0 50 EHAA Cc1cn2cc(-c3ccc(I)cc3)nc2s1 433051 JEWGDXRBUBAMFY-UHFFFAOYSA-N 340.189 3.976 0 50 EHAA O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc2c(c1)OCCO2 555994 NWDSTNLBNNTEMH-UHFFFAOYSA-N 331.371 3.962 0 50 EHAA CCOc1cc(C=O)ccc1OCCCOc1ccc(OC)cc1 2879429 PAPUTPBMLWUUAM-UHFFFAOYSA-N 330.380 3.754 0 50 EHAA Cc1cccc(NC(=O)CCC(=O)O[C@@H](C)C(=O)c2ccccc2)c1 2998608 JHDVTFKRJCLQOA-HNNXBMFYSA-N 339.391 3.528 0 50 EHAA CCCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O 9183791 JVMVRIWOASHWIQ-UHFFFAOYSA-N 337.427 3.725 0 50 EHAA Fc1ccc(CN(Cc2cccc3c2OCO3)C[C@H]2CCCO2)cc1 55198840 IWRRRGDPFHCXLM-GOSISDBHSA-N 343.398 3.736 0 50 EHAA CC(C)[C@@H](C)N(CCn1c(=O)oc2ccccc21)Cc1ccco1 55414017 RDHRTFFAKMAVPJ-OAHLLOKOSA-N 328.412 3.734 0 50 EHAA COc1cccc2c(C)cc(-c3cc(C)cc4c3O[C@H](CN)C4)nc12 67740885 ANKCHQFRKPLRHC-HNNXBMFYSA-N 334.419 3.789 0 50 EHAA CC(C)c1nn(-c2ccccc2)c2c1[C@H](c1ccccn1)CC(=O)N2 65395143 PYNWSZJFHJGCJS-HNNXBMFYSA-N 332.407 3.865 0 50 EHAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1ccc2ccccc2n1 20867591 SQDKGPPNYPNACQ-UHFFFAOYSA-N 334.354 3.522 0 50 EHAA CN(C)C(=O)c1cc(=NCc2cc(-c3ccccc3)cs2)cc[nH]1 351566971 HVMDHBZVHUTOTR-UHFFFAOYSA-N 337.448 3.546 0 50 EHAA Cc1ncc(CN2CCC[C@H](N(C)CCc3ccccc3)C2)s1 23358240 GNKRLCGGZMEKFP-SFHVURJKSA-N 329.513 3.590 0 50 EHAA CSc1cccc(NC(=O)N2CCC[C@H]2Cn2ccnc2)c1C 253420348 RGCIAMKPFAOJDL-AWEZNQCLSA-N 330.457 3.610 0 50 EHAA COC[C@H](C)NCc1nc(-c2ccc(C)cc2)c(-c2ccccn2)[nH]1 67514069 ZYPDNMIWQWRYTE-HNNXBMFYSA-N 336.439 3.572 0 50 EHAA C[C@@H]1[C@H](OC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C[C@H]2C[C@H]1C2(C)C 252517550 LGQDRBDOQFLUIS-UYJHQMFVSA-N 335.488 3.637 0 50 EHAA CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@H]2C1 3995327 LEPBHAAYNPPRRA-WMZHIEFXSA-N 344.458 3.929 0 50 EHAA biogenic,investigational Cc1cc(NC(=O)NS(=O)(=O)c2ccccc2)ccc1C(C)C 4104995 WBOFGXSLHAYRCN-UHFFFAOYSA-N 332.425 3.629 0 50 EHAA CC(C)c1cc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)on1 77487204 HWMMOLMDALQRDN-AWEZNQCLSA-N 346.402 3.868 0 50 EHAA CN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C1CCNCC1 237094646 MZTHVBZMUQNZGT-GORDUTHDSA-N 346.780 3.582 0 50 EHAA Cc1cccc(OC2CN(Cc3cccc(Cn4cccn4)c3)C2)c1 72157275 IYWCFTOCCBTQNY-UHFFFAOYSA-N 333.435 3.503 0 50 EHAA Cc1nc([C@H]2CCCCN2C(=O)Nc2ccsc2Cl)n[nH]1 374635113 CCEFWEVQXMEFBT-SNVBAGLBSA-N 325.825 3.587 0 50 EHAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCC2(CCCO2)CC1 71575653 FVKMHYPZGBOQJG-UHFFFAOYSA-N 336.435 3.842 0 50 EHAA Cc1ccc(/C=C/C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)o1 287853757 LSPHXAWPNMJTRQ-BKDSAOBHSA-N 337.419 3.632 0 50 EHAA Cc1nnc([C@@H](C)N2CCc3sc(-c4csc(C)n4)cc3C2)o1 180881629 HIZZSQDULBGHMB-SECBINFHSA-N 346.481 3.991 0 50 EHAA CCCCn1nccc1NC(=O)N[C@@H](c1cc(C)ccn1)C1CC1 97551441 IALIRMKPVYCJGG-QGZVFWFLSA-N 327.432 3.659 0 50 EHAA CCN(C)C1(CNCc2cc(O)c3cccc(Cl)c3n2)CCCC1 92061895 ZHTCDZCRHJDDSL-UHFFFAOYSA-N 347.890 3.948 0 50 EHAA COCCn1c(C)cc2cc(NC(=O)N3CC=C(C)CC3)ccc21 97480180 ICHCCQMXFQCROJ-UHFFFAOYSA-N 327.428 3.780 0 50 EHAA Cc1csc([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)n1 340538546 UYZJDFGYAFSNCN-OAHLLOKOSA-N 343.496 3.928 0 50 EHAA Cc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@H](C)C4)c(C)c1 299738137 BADOKBLEVNPBGC-CYBMUJFWSA-N 348.402 3.693 0 50 EHAA O=C(NC[C@H]1CCCOC1)Nc1cccc(/C=C/c2ccccn2)c1 299797098 PZUFSRDBGKLFQI-OAGJVSPASA-N 337.423 3.800 0 50 EHAA CCCC(=O)Nc1ccc(NC(=O)[C@H]2CC23CCCC3)cc1OC 822752154 QZMVICFXLVQOSZ-CQSZACIVSA-N 330.428 3.953 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)[C@@H](OC)c2ccccc2)c(C)c1 952973648 OSJWXDCNQYZVCN-SFHVURJKSA-N 326.396 3.670 0 50 EHAA CC(C)(CNc1ncnc2nc[nH]c12)c1cccc(C(F)(F)F)c1 170620530 AXOQHCJUXZELJK-UHFFFAOYSA-N 335.333 3.761 0 50 EHAA COc1ccc(CNc2ncnc3ccccc23)c(OC(F)F)c1 170642922 BVKRWYWVVNBVPC-UHFFFAOYSA-N 331.322 3.852 0 50 EHAA O=C(NCCc1cccs1)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 273378630 YNIDYRRLHZYTJI-WBVHZDCISA-N 348.443 3.649 0 50 EHAA COc1cnccc1[C@H](C)NC(=O)N1CCCC[C@@H]1c1ccc(C)o1 187509501 JUHUFIDDESCLPX-GOEBONIOSA-N 343.427 3.989 0 50 EHAA CN(C)C(=O)CCCSc1nnc(-c2cccc3ccccc23)o1 188025626 JUBLFNRLZOQXMW-UHFFFAOYSA-N 341.436 3.850 0 50 EHAA O=C(Cc1cccc(Cl)c1)N1CCC([C@H](O)c2cccs2)CC1 1506430654 XZUCFHFUOGCLDB-SFHVURJKSA-N 349.883 3.916 0 50 EHAA CC(C)c1cc(CN2CCC[C@H]2c2nc(-c3ccncc3)no2)no1 1529180064 ASZTUUXSNLTUCD-HNNXBMFYSA-N 339.399 3.580 0 50 EHAA CCc1noc(C)c1C(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1529124996 DCJQTPWDSHNHBM-MSOLQXFVSA-N 342.439 3.784 0 50 EHAA Oc1ccc(CC2CCN(Cc3ccc(OC(F)F)cc3)CC2)cn1 1772812956 RYEBUIMJGNRQKF-UHFFFAOYSA-N 348.393 3.843 0 50 EHAA c1ccc(-c2ccc(OCc3nnnn3-c3ccccc3)cc2)cc1 5007489 WRENQXMMGCWESZ-UHFFFAOYSA-N 328.375 3.908 0 50 EHAA Cc1cnc(CNC(=O)C[C@@H](c2ccccc2)c2ccccc2C)cn1 12594998 QWOCLDNALRZMCP-NRFANRHFSA-N 345.446 3.932 0 50 EHAA O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCCN1CC1CC1 14949722 RVROWFMVSKZQIE-KRWDZBQOSA-N 327.453 3.623 0 50 EHAA CC(C)N1CCC(NCc2cccnc2Oc2ccccc2)CC1 15064550 FDDHMENOTCBNOB-UHFFFAOYSA-N 325.456 3.836 0 50 EHAA COCCN(C)c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 19220993 RHUPJKAHHDUKDC-UHFFFAOYSA-N 344.802 3.535 0 50 EHAA CCC1=NO[C@@H](Cn2ccc(-c3cccc(-c4cnn(C)c4)c3)n2)C1 19840700 GBMIYSKYXYWUBS-GOSISDBHSA-N 335.411 3.506 0 50 EHAA CCn1/c(=N\NC(=S)Nc2ccccc2)sc2ccccc21 5569547 NBBBVLGHZXSDGE-KNTRCKAVSA-N 328.466 3.525 0 50 EHAA COc1ccc(NC(C)=O)cc1NCc1cc2ccccc2nc1O 121988591 ZNSHEHCFQADBAF-UHFFFAOYSA-N 337.379 3.520 0 50 EHAA Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)o1 123493111 COZFRGNOGNXGGT-KGLIPLIRSA-N 339.313 3.555 0 50 EHAA CO[C@H]1CCC[C@H](CC(=O)NC(C)(C)c2nc3ccccc3n2C)C1 332018003 YQTFWUWUPIKXRN-GJZGRUSLSA-N 343.471 3.520 0 50 EHAA C[C@@H]1CCC[C@@H](C(=O)N2CCC(c3ccccc3C(=O)O)CC2)C1 364847026 WUNCZBGVHORGAY-GDBMZVCRSA-N 329.440 3.917 0 50 EHAA CCc1noc([C@@H]2CC[C@H](NC(=O)N3[C@H]4CCCC[C@@H]4C[C@H]3C)C2)n1 927349214 MSJYDIBPUIMZEX-SUJAAXHWSA-N 346.475 3.631 0 50 EHAA C[C@H]1CCc2nc(COc3ccc(Cl)cc3C(N)=O)sc2C1 1875341258 MPOCCDHIOZITDW-VIFPVBQESA-N 336.844 3.599 0 50 EHAA C[C@H](Sc1ccc(NCc2cccn3nccc23)cc1)C(=O)O 1875329725 FTXAOCWZIFQACW-LBPRGKRZSA-N 327.409 3.512 0 50 EHAA CC(C)(C)C(=O)Nc1ccccc1-c1cnn([C@H]2CCCCO2)n1 1875336043 QSHDHMAFPLBMGV-MRXNPFEDSA-N 328.416 3.629 0 50 EHAA CCO[C@]12CCC[C@@]1(NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)CCO2 889809727 UXGLXGRFFGRCCV-LFGUQSLTSA-N 347.430 3.511 0 50 EHAA CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)c2ccccc2)cc1 118173 PYCQHVKJSXVXFP-KRWDZBQOSA-N 325.408 3.930 0 50 EHAA CN(C1=C(Cl)C(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1 122035 BUBIXMYJOJNDIY-UHFFFAOYSA-N 347.201 3.800 0 50 EHAA Cc1ccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)cc1 196937 JRASIAATKYGRMC-INIZCTEOSA-N 329.421 3.630 0 50 EHAA CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 351882 IWSJHAZYDPEJJX-QMTHXVAHSA-N 342.222 3.623 0 50 EHAA CCSc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2)s1 433836 JCIUMRBEDYKAED-VMPITWQZSA-N 325.846 3.955 0 50 EHAA COc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)c1 472337 WFUGQEMPEBFYJG-UHFFFAOYSA-N 342.395 3.551 0 50 EHAA CCN1CCN(c2ccc(NC(=O)c3cccs3)cc2Cl)CC1 587323 MNUKLPPCJLKFJX-UHFFFAOYSA-N 349.887 3.796 0 50 EHAA CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 1072446 YNORRJSRGOFDJU-AWEZNQCLSA-N 342.826 3.894 0 50 EHAA CCCOC(=O)[C@@H](CC)Oc1ccc2c3c(c(=O)oc2c1C)CCC3 1778854 YKMMVIPACPJYJM-MRXNPFEDSA-N 344.407 3.701 0 50 EHAA O=c1/c(=C/c2c(Cl)cccc2Cl)sc2nc3ccccc3n12 2067698 FIIFSGZAQXPHGW-ZSOIEALJSA-N 347.226 3.764 0 50 EHAA CCOc1ccc(Br)cc1C(=O)NCCc1ccccc1 2840791 WGAAALNKKUEZQS-UHFFFAOYSA-N 348.240 3.820 0 50 EHAA O=C1N/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccccc1 4702396 QAZNKNFNLYFUKN-GXDHUFHOSA-N 343.180 3.546 0 50 EHAA O=C(Nc1cccnc1)c1cc(-c2ccncc2)nc2ccccc12 5520675 SLJMWYIQEVVJFN-UHFFFAOYSA-N 326.359 3.944 0 50 EHAA CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1O 5686283 CKOAZRUDFDRXFQ-UHFFFAOYSA-N 338.359 3.889 0 50 EHAA biogenic Cc1sc(NC(=O)c2cccc(OC(C)C)c2)c(C(N)=O)c1C 10471174 STULMDJPGDFCQS-UHFFFAOYSA-N 332.425 3.503 0 50 EHAA CCN(CC1CCN(CCc2ccccc2C)CC1)C1CCOCC1 12835425 UENSIKYCEYVNPI-UHFFFAOYSA-N 344.543 3.750 0 50 EHAA CCc1ccccc1NC(=O)Nc1ccc(CN2CCOCC2)cc1 13325001 UHMRXXJPRPYUOJ-UHFFFAOYSA-N 339.439 3.725 0 50 EHAA O=C(c1ccccc1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 16603632 AHQLPQSYACTUHK-UHFFFAOYSA-N 349.261 3.951 0 50 EHAA CC(C)CN(Cc1ccsc1)C(=O)c1cccc(-n2cnnc2)c1 55360605 GSQUIIMMSQEKAN-UHFFFAOYSA-N 340.452 3.627 0 50 EHAA CC(C)c1nnc(CN2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)o1 72150653 PCUBRARVUNQHAI-AWEZNQCLSA-N 329.379 3.546 0 50 EHAA O=S(=O)(c1c(F)cccc1F)N1CCCCC[C@H]1c1ccco1 77286633 XWMVJAZJSKFYLY-AWEZNQCLSA-N 341.379 3.864 0 50 EHAA CCN(CC)[C@@H]1CCN(C(=O)c2[nH]c3c(C)cc(C)cc3c2C)C1 91650515 SMPRYHLFONWIOO-MRXNPFEDSA-N 327.472 3.649 0 50 EHAA CC(C)(C)c1oc(C(N)=O)cc1CN1C(=O)c2cccc3cccc1c23 95355548 PCANWKVRVVYQHE-UHFFFAOYSA-N 348.402 3.990 0 50 EHAA CCCOC[C@@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 95361507 ASPSWRZFMQEILB-LJQANCHMSA-N 344.499 3.561 0 50 EHAA Cc1cc(N2CCC[C@@H](c3nccn3C)C2)c2cc(F)cc(F)c2n1 95524622 IIGZLWKKROCZKA-CYBMUJFWSA-N 342.393 3.939 0 50 EHAA C[C@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1ccccc1Cl 97324047 JEPGBXJATCWFQX-LBPRGKRZSA-N 340.810 3.683 0 50 EHAA Cc1nc(C2(NC(=O)C[C@H](C)c3ccccc3C)CCCC2)no1 115984325 KLGUWIONOYGXGT-AWEZNQCLSA-N 327.428 3.766 0 50 EHAA Cc1ccc2c(c1)[C@H](NC(=O)Nc1c(C)cc(N(C)C)cc1C)CO2 156735839 MBAWDOIADIQFIB-QGZVFWFLSA-N 339.439 3.933 0 50 EHAA O=C(N[C@H](c1ccccc1)C1CCC1)N1CCC(c2ccn[nH]2)CC1 159055639 BQUGPCWRPKTUKX-LJQANCHMSA-N 338.455 3.840 0 50 EHAA Cc1cc(N2CCC(NCc3cc(C)c(C)cc3C)CC2)nc(C)n1 170021713 MAOPMHOKQJATAY-UHFFFAOYSA-N 338.499 3.777 0 50 EHAA COC(=O)c1cccc(C(C)(C)C)c1NCc1nccn1C(F)F 170596373 AYKSVIAQLXEROK-UHFFFAOYSA-N 337.370 3.974 0 50 EHAA C[C@@H](c1cnccn1)N1CCN(Cc2cccc3ccccc23)CC1 170596946 BYWUENMUIZDAGA-KRWDZBQOSA-N 332.451 3.509 0 50 EHAA Cc1cc(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCC2)n(C)n1 170605131 MHYNLJUBVHXQRA-UHFFFAOYSA-N 339.483 3.878 0 50 EHAA Cc1ccc(SCC(=O)N2C[C@@H](C)[S@@](=O)c3ccccc32)cc1 170614400 IZOQISFGFZJEFK-QKFKETGDSA-N 345.489 3.630 0 50 EHAA COc1ccc2c(c1)N(C(=O)[C@H](C)O[C@@H]1CCC[C@@H](C)C1)C[C@H](C)O2 170640670 HFYWCTHZPVDVME-WBTNSWJXSA-N 347.455 3.793 0 50 EHAA CC(C)c1noc(CNc2cc(N3CCCC3=O)ccc2Cl)n1 171910913 IOKOHLQIIRPBAG-UHFFFAOYSA-N 334.807 3.585 0 50 EHAA COc1ccc(-c2noc(-c3coc(C4CCC4)n3)n2)cc1OC 194868591 CASVTSNLSYIAIV-UHFFFAOYSA-N 327.340 3.676 0 50 EHAA O=C(CCC(=O)N1CCC2(CC1)CNc1ccccc12)c1ccccc1 215138451 OLGWVWJJNSNAFE-UHFFFAOYSA-N 348.446 3.635 0 50 EHAA C[C@H](c1ccncc1)N(C)Cc1ccc(OCCn2ccnc2)cc1 215840179 WCQXLJHLHMEEPA-QGZVFWFLSA-N 336.439 3.550 0 50 EHAA Cc1nn(CCO)c(C)c1CN1CCC[C@@H](c2ccc(Cl)cc2)C1 216307538 WGFMPSWLZHGEAC-QGZVFWFLSA-N 347.890 3.525 0 50 EHAA CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cnc2ccccc2n1 225506282 CNDNOJDFNIEZOB-LJQANCHMSA-N 348.381 3.857 0 50 EHAA O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CC2C[C@H]3CC1C[C@@H](C2)C3 241862489 SQJVEWSTXMAJLX-AHRXROMVSA-N 343.511 3.745 0 50 EHAA O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H]1c1cccs1 241862560 SRCBQPGZXAXEHF-WMZOPIPTSA-N 326.465 3.905 0 50 EHAA CC(C)n1cc(CN2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)cn1 247977309 GDXHDQLGWJNQJZ-YADHBBJMSA-N 349.478 3.968 0 50 EHAA O=C(c1cc(C2CC2)no1)N(Cc1cccnc1)c1ccc(F)cc1 253433178 SVFHIYDVJJUDLV-UHFFFAOYSA-N 337.354 3.933 0 50 EHAA CC(C)n1ccnc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 277782853 MMJFIEYFQZAWFG-LBPRGKRZSA-N 341.381 3.586 0 50 EHAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3[nH]c4ccc(F)cc4c3C)[C@H]2C1 299786584 VUAHUUYVLSIKEE-UIAACRFSSA-N 346.446 3.774 0 50 EHAA Cc1csc2ncnc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)c12 334028128 IYFKQBUQCLWKLX-CQSZACIVSA-N 339.468 3.943 0 50 EHAA Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@@H](C)[C@H]1CCCOC1 334029812 PPUAFSYUKXCILW-IKGGRYGDSA-N 332.488 3.996 0 50 EHAA Cc1noc([C@H](NCc2ccc(Cl)cc2C)C2CCOCC2)n1 341795132 FLUUCEMSVMMITA-MRXNPFEDSA-N 335.835 3.597 0 50 EHAA Cc1noc(C)c1CCN[C@H]1c2ccccc2CC12CCOCC2 352895737 WIFZEBJUTJVQKX-IBGZPJMESA-N 326.440 3.518 0 50 EHAA CC[C@H]1C[C@H](CC(=O)NCCc2c[nH]c3ccc(F)cc23)CCO1 358972837 HCFGKPKOYFHGCZ-CJNGLKHVSA-N 332.419 3.561 0 50 EHAA COc1cc(C)nc(N2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 490094321 OXCHVDVSSVZQHJ-ZDUSSCGKSA-N 344.484 3.513 0 50 EHAA CCCN(CC1CC1)C(=O)c1ccc(-c2csc(C(N)=O)c2)cc1 534652024 RCTOJWYEQBCKJF-UHFFFAOYSA-N 342.464 3.776 0 50 EHAA CSCc1nc(CNC(=O)N(C)Cc2sccc2C)cs1 584900127 QKGULDGMDQNMHF-UHFFFAOYSA-N 341.527 3.718 0 50 EHAA O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC[C@H]2C[C@H]21 672134573 HLTQHJXKOGATRN-FUHWJXTLSA-N 335.451 3.901 0 50 EHAA Cc1ccc(OCc2occc2C(=O)NCc2nc(C)cs2)cc1 825178093 ALQUHYGLNPMQDN-UHFFFAOYSA-N 342.420 3.862 0 50 EHAA COc1ccc([C@@H](C)NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)cc1C 888078492 VZRMBXAUASGAEQ-SIXWZSSISA-N 329.444 3.545 0 50 EHAA C[C@H]1CCCN(C(=O)Nc2cccnc2-n2cncn2)c2ccccc21 930072026 NZAVTBZGHDFVDM-AWEZNQCLSA-N 348.410 3.598 0 50 EHAA Cc1nn(C)c2cc(NC(=O)N3C[C@H](C4CC4)C[C@@H]3C3CC3)ccc12 931504866 QCQJUDCPVVGOLA-CRAIPNDOSA-N 338.455 3.924 0 50 EHAA Cc1ccc2nc([C@H](NCc3nc(C)c(C)n3C)C(C)C)[nH]c2c1 952965644 FRYGDVQLRCBBMZ-GOSISDBHSA-N 325.460 3.709 0 50 EHAA O=C(NCc1cccc(F)c1)N1CCC([C@@H](O)c2cccs2)CC1 952982063 JPPDIOFJWMQEBF-QGZVFWFLSA-N 348.443 3.542 0 50 EHAA C[C@H](CNC(=O)c1conc1C(F)(F)F)Oc1cccc(Cl)c1 1293950914 VEXUUVSKCDYAGI-MRVPVSSYSA-N 348.708 3.544 0 50 EHAA CCCn1nc(C)cc1NC(=O)c1cc(C)nc2cc(OC)ccc12 1529126310 ANURDKQCWCFQFI-UHFFFAOYSA-N 338.411 3.719 0 50 EHAA CN(CCCNc1noc(-c2ccccc2)c1C(=O)O)C1CCCC1 1704336266 JSPGWUWLUBQWSU-UHFFFAOYSA-N 343.427 3.716 0 50 EHAA CC1(NC(=O)[C@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)CCC1 1857713410 HUULSPKTWDXZFX-LBPRGKRZSA-N 347.846 3.756 0 50 EHAA CC(C)[C@H]1CCc2sc(C(=O)NC3([C@H]4CCCNC4)CC3)cc2C1 1875406041 VJRURFLPBNOGEV-HOCLYGCPSA-N 346.540 3.771 0 50 EHAA C[C@@H]1C[C@H]1N(C(=O)c1ncnc2c1ccn2C1CC1)c1ccccc1 1875407953 KWQCEXFMDAHKSY-CXAGYDPISA-N 332.407 3.821 0 50 EHAA O=c1cc(C(F)(F)F)ncn1Cc1ccc(Cc2ccccc2)cc1 2325821355 ICBMDHZDFIUMPF-UHFFFAOYSA-N 344.336 3.901 0 50 EHAA COc1ccc2ccc(=N[C@@H](CO)c3ccc(Cl)cc3)[nH]c2c1F 2325865866 STEFPMLAHAVDEN-AWEZNQCLSA-N 346.789 3.603 0 50 EHAA O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCCCC1 384542 GAPPQXQWUBEBPH-UHFFFAOYSA-N 326.179 3.726 0 50 EHAA COC(=O)c1sccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 476407 SNDFYWBQYNBZKL-VIFPVBQESA-N 339.800 3.594 0 50 EHAA O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc(F)cc1 2969348 YWFGENJOQUFIFR-UHFFFAOYSA-N 345.848 3.550 0 50 EHAA S=C(c1ccc(OCc2ccc(Cl)cc2)cc1)N1CCOCC1 2993107 LMNAJAJYRGFHTF-UHFFFAOYSA-N 347.867 3.927 0 50 EHAA COc1ccc(OC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 6742794 DTOAJGAOAXHNIT-UHFFFAOYSA-N 330.723 3.674 0 50 EHAA Clc1cccc(-n2cc(CN3CCC[C@@H](N4CCCC4)C3)cn2)c1 20272546 WYISYACMYIEPDV-LJQANCHMSA-N 344.890 3.586 0 50 EHAA CN(C)C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67867186 FSLQXJPKIYLWOE-UHFFFAOYSA-N 346.814 3.589 0 50 EHAA O=C(CCCc1ccccc1)N(CCO)Cc1cccc(Cl)c1 252488568 IUUKMDNCDRBQJM-UHFFFAOYSA-N 331.843 3.684 0 50 EHAA CN(CC[C@@H](O)c1ccccc1)C(=O)c1ccc(-c2ccccc2)n1C 215510162 ZNNLCXXIKOIIMR-OAQYLSRUSA-N 348.446 3.888 0 50 EHAA CC(C)CNc1nnc(SCCN(C)Cc2ccccc2)s1 241564200 OSEZMAZOSFVGCN-UHFFFAOYSA-N 336.530 3.830 0 50 EHAA COc1ccc(NC(C)=O)cc1-n1ccnc1-c1ccc(C)cc1F 72425969 XBPYCKKQCAUDKJ-UHFFFAOYSA-N 339.370 3.954 0 50 EHAA CN1C[C@@H]2CN(C(=O)c3cccc4[nH]ccc34)C[C@H]2[C@H]1c1ccccc1 241466208 NVOFFOINPHZWON-OZOXKJRCSA-N 345.446 3.543 0 50 EHAA O=C(Nc1cc(F)ccc1F)c1cnn2c(-c3ccco3)ccnc12 13644431 QHENTKRXOBYUBC-UHFFFAOYSA-N 340.289 3.520 0 50 EHAA Cc1cc(F)c(CNC2CCN(C(=O)C(C)C)CC2)c(Cl)c1 459370235 RCZPULRGRUMWSV-UHFFFAOYSA-N 326.843 3.524 0 50 EHAA O=C(CC1CCCC1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 222514304 WQAIAYAUNRHPBG-IAYYMHMVSA-N 338.451 3.743 0 50 EHAA O=C(CCCc1cccs1)N1CCC(OCc2cccnc2)CC1 82134172 HZEXGMRBBYUKSG-UHFFFAOYSA-N 344.480 3.674 0 50 EHAA CN1C[C@H](c2ccccc2)CC2(CCN(Cc3cscn3)CC2)C1 92081313 XSOOLSQOCWPWHD-GOSISDBHSA-N 341.524 3.845 0 50 EHAA c1ccc(CCN2CCC[C@@H](CNc3cc(C4CC4)ncn3)C2)cc1 91486118 BMVDXCNOCGNPGY-SFHVURJKSA-N 336.483 3.721 0 50 EHAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1[nH]c2c(C)ccc(C)c2c1C 91574222 SMIBCGFSUBGXLD-UHFFFAOYSA-N 338.455 3.748 0 50 EHAA Cc1ccccc1N1CCN([C@@H]2CCCN(C3CCCCC3)C2)CC1 23373046 YTIXSRCGCNKUAF-OAQYLSRUSA-N 341.543 3.914 0 50 EHAA Cc1cc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)n(C)n1 91391129 WRZDDMGBYIMTSO-UHFFFAOYSA-N 329.787 3.572 0 50 EHAA CCCn1ncnc1[C@@H](C)NC(=O)Nc1cc(Cl)ccc1Cl 299759294 QAALOKJZCSBLHU-SECBINFHSA-N 342.230 3.878 0 50 EHAA C[C@H]1C[C@H](NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 239782564 CPFWFKKCCDAZME-MUJYYYPQSA-N 340.508 3.569 0 50 EHAA COc1ccc(CN2CCCC2)cc1NC(=O)c1cccc(C)c1F 170665125 JUIKENNBQUSPOK-UHFFFAOYSA-N 342.414 3.991 0 50 EHAA CC(C)c1cccc(N(CCO)Cc2nc(O)c3sccc3n2)c1 649682648 BVLJXHQBSRUXNJ-UHFFFAOYSA-N 343.452 3.519 0 50 EHAA CCN(Cc1csc(-c2ccc(C(=O)O)cc2)n1)[C@@H]1CCCOC1 652506945 OZTUYMIUJWEEMY-MRXNPFEDSA-N 346.452 3.509 0 50 EHAA CCCc1cc(CNCc2ccc(CN3CCCCC3)s2)on1 1506425889 HYBCPSFCNQOFBT-UHFFFAOYSA-N 333.501 3.964 0 50 EHAA C/C=C(\C)CN1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12443725 MLXSETSLNLJVDP-NVGMFHGRSA-N 348.437 3.746 0 50 EHAA CCCc1sc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1Br 16602445 VSFPTDAAWUBOOO-ONGXEEELSA-N 346.290 3.760 0 50 EHAA Cc1cccc(OC(C)(C)C(=O)N(C)C2CC(C)(C)NC(C)(C)C2)c1 19144746 WAQQTNSCSXQVCD-UHFFFAOYSA-N 346.515 3.920 0 50 EHAA COc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1 19781728 DLBSOPNYHULJEB-UHFFFAOYSA-N 330.859 3.666 0 50 EHAA Cc1ccc(CC(=O)NCc2nnc(C(C)(C)C)s2)cc1Cl 934593968 ZKMJHDMFSAXTSY-UHFFFAOYSA-N 337.876 3.656 0 50 EHAA CC(C)(C)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)on1 1875359819 QRANOFGHUZLXEC-UHFFFAOYSA-N 348.346 3.792 0 50 EHAA Cc1[nH]c2ccccc2c1CCNC(=O)c1ccnc(NC2CCC2)c1 1875316240 CYDWSRNHSNWPOW-UHFFFAOYSA-N 348.450 3.808 0 50 EHAA Cn1c(=NCc2ccccc2SC(F)(F)F)[nH]c2ccncc21 1875331787 VTIRUJQSLIYQQM-UHFFFAOYSA-N 338.358 3.614 0 50 EHAA Oc1ccc(Cl)c(CN2CCc3nc[nH]c3[C@H]2c2ccccc2)c1 1176322251 HTZOOGGYRZLVCR-LJQANCHMSA-N 339.826 3.916 0 50 EHAA CCOC(=O)c1c(C(F)F)nc2c(C)cc(Br)cn12 1857781905 APONXOPHPYMFTK-UHFFFAOYSA-N 333.132 3.520 0 50 EHAA O[C@@H](COc1ccccc1-c1ccccc1)CN1CCCCCC1 12420087 XUYIFIILHXKFPN-LJQANCHMSA-N 325.452 3.969 0 50 EHAA Cc1csc(-c2cccc(C(=O)NCC3(C4(O)CCC4)CC3)c2)n1 887529271 AJRGYVJFLGHDFC-UHFFFAOYSA-N 342.464 3.544 0 50 EHAA CC[C@H](C(=O)Nc1ccccc1)n1ccc(C(=O)Nc2ccccc2)n1 20617699 FHPWWWNWLHWZLJ-GOSISDBHSA-N 348.406 3.725 0 50 EHAA COc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 178528 VILSSLWYZWMRKR-UHFFFAOYSA-N 339.435 3.555 0 50 EHAA O=C(Nc1ccc(OC(F)(F)C(F)F)cc1)c1ccccc1O 309910 NEBNXENXNLLPCT-UHFFFAOYSA-N 329.249 3.881 0 50 EHAA COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1 452055 UEKMUMNGQMQKIE-UHFFFAOYSA-N 334.828 3.784 0 50 EHAA Cc1csc(NC(=O)CSc2ccc(Br)cc2)n1 615153 JYLLDYWZZWBUKL-UHFFFAOYSA-N 343.271 3.945 0 50 EHAA CC(C)N1CCC[C@@]2(CCCN2Cc2cccc3[nH]ccc23)C1=O 2356135552 JQSBPUALTUFOQX-FQEVSTJZSA-N 325.456 3.533 0 50 EHAA CCOC(=O)C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C 2270201 QKEGVMIPPNNWJI-WMLDXEAASA-N 338.407 3.528 0 50 EHAA CN(C)c1ccc(-c2ccnc(N[C@H](c3nccn3C)C3CC3)n2)cc1 2356152967 KDAHTQJIQWDMRY-SFHVURJKSA-N 348.454 3.506 0 50 EHAA CCCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc1 2735034 WNTWUQIZZMQQCP-UHFFFAOYSA-N 345.464 3.583 0 50 EHAA COc1cc2c(c(OC)c1OC)[C@H](c1cc(C)ccc1C)CC(=O)N2 2883747 QAMRVVQLTPTSHC-AWEZNQCLSA-N 341.407 3.803 0 50 EHAA COc1cc(OC)c(NC(=O)c2ccccc2OC(C)=O)cc1Cl 4842370 GMZWSJLNAOEIOZ-UHFFFAOYSA-N 349.770 3.535 0 50 EHAA O=C(NC1C2CC3CC(C2)CC1C3)c1cc(-c2cccs2)on1 2806581 KFWUNTDBPGFEJM-UHFFFAOYSA-N 328.437 3.958 0 50 EHAA CC(C)[C@H](NCc1csc(C2CC2)n1)c1nnc2ccccn12 113332687 LLTBCBZGCGKLBH-HNNXBMFYSA-N 327.457 3.550 0 50 EHAA Cc1ccccc1OCC(=O)Nc1ccccc1OC[C@H]1CCCO1 10155826 SFQDLPJVRVMFCN-MRXNPFEDSA-N 341.407 3.570 0 50 EHAA COc1ccccc1/C=C/CN1CCc2cc(OC)c(OC)cc2C1 23281750 IRKAHRYVYRDIKS-SOFGYWHQSA-N 339.435 3.784 0 50 EHAA O=C(Nc1cccc(F)c1)N1CCN(Cc2ccccc2Cl)CC1 20495052 VGBUTZMOWRFASD-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA CCc1c(C)sc2ncnc(-c3ccc(C(=O)N(C)C)cc3)c12 67740080 BMHRYQLLZRMCSP-UHFFFAOYSA-N 325.437 3.931 0 50 EHAA Cc1cccc([C@H](NC(=O)c2cnc(C)nc2C)c2cccs2)c1 65526235 WQFVEHNSDBRFOT-SFHVURJKSA-N 337.448 3.983 0 50 EHAA CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OCC)cc1)C2 1422010 CRHUSNLIGWYPAN-AWEZNQCLSA-N 341.407 3.811 0 50 EHAA FC(F)Oc1ccc(Cl)cc1CN1CCCN2CCC[C@H]2C1 252467363 GCUXWLLWWFVHNO-AWEZNQCLSA-N 330.806 3.612 0 50 EHAA O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCSc2ccccc21 123018385 ZTVVAUDATJTAPA-UHFFFAOYSA-N 339.395 3.764 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)N1c2ccccc2C[C@@H]1C 6571417 OZKAVODXYZCKLP-JTQLQIEISA-N 346.477 3.991 0 50 EHAA CC[C@H]1C[C@@H](CC(=O)NCCc2c[nH]c3ccc(F)cc23)CCO1 358972834 HCFGKPKOYFHGCZ-BBRMVZONSA-N 332.419 3.561 0 50 EHAA CC1(C)CCc2nc(N3C(=O)NC4(CCCCCC4)C3=O)sc2C1 333198739 UUSABMVCSNYBCY-UHFFFAOYSA-N 347.484 3.807 0 50 EHAA CN1CC[C@H]2CCN(C(=O)Nc3cc(Cl)ccc3Cl)[C@H]2C1 239667696 BRMDUIIHVCEWOR-HZMBPMFUSA-N 328.243 3.551 0 50 EHAA c1cnc(N2CCC[C@@H](Cc3nc(C4CCCCCC4)no3)C2)nc1 370982751 QTDAXDDMHYCXID-HNNXBMFYSA-N 341.459 3.757 0 50 EHAA CC(C)C1CCC(N2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 175928767 BDZLTXPUHRINRG-DQVLVPHSSA-N 330.516 3.552 0 50 EHAA C[C@H](NC(=O)CCCc1ccccc1)c1nncn1C1CCCC1 223285896 DTJNMYCHDQMZOP-HNNXBMFYSA-N 326.444 3.593 0 50 EHAA CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(CC)cc2)cc1 17068633 KSSKTHMAKWPAHH-AWEZNQCLSA-N 333.453 3.687 0 50 EHAA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3cccc(C(=O)O)c3)nc2c1 263400877 GMVQFUYSYVGPBT-KRWDZBQOSA-N 349.390 3.547 0 50 EHAA COc1ccc2c(OCc3csc([C@H](C)OC)n3)ccnc2c1 177609332 OHSPJGMFFJFBFF-NSHDSACASA-N 330.409 3.986 0 50 EHAA C[C@@H](NC(=O)N(C)Cc1cc(-c2ccccn2)no1)C1CCCCC1 426517579 LYQAXZLCKRUGIH-CQSZACIVSA-N 342.443 3.847 0 50 EHAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cnn(C)c2)cc1 426441733 HCZPTGMHCAKRBN-IBGZPJMESA-N 341.455 3.508 0 50 EHAA O=C(NCC[C@H]1CCCN1)c1ccc(-c2ccc(Cl)cc2)cc1 426526323 XJYFCNURFQZISZ-GOSISDBHSA-N 328.843 3.879 0 50 EHAA CCN1CC2(CCC1=O)CCN(C(=O)Nc1c(C)cccc1C)CC2 91351042 RRHLATDMUNTYRT-UHFFFAOYSA-N 343.471 3.560 0 50 EHAA O=C(Nc1ccccc1Oc1cccnc1)N1CCCC[C@H]1CCO 96132054 AQUKQUPKCHQBCP-HNNXBMFYSA-N 341.411 3.643 0 50 EHAA Cc1nc(CCNC(=O)c2ccc3ccn(C)c3c2)sc1Cl 95359123 NPFILUMBQYCERV-UHFFFAOYSA-N 333.844 3.569 0 50 EHAA Cc1cncc(NC(=O)N[C@@H](CCO)c2ccc(C(C)C)cc2)c1 97514293 XOAPRNMKPSOBBX-SFHVURJKSA-N 327.428 3.759 0 50 EHAA CNc1cc(C(=O)NCC(c2ccccc2)c2ccccc2)ccn1 97492585 NCFXLHKZEYSRFR-UHFFFAOYSA-N 331.419 3.685 0 50 EHAA O=C(O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CC1=CCCCC1)CC3 238047581 KVXDKURCWJEPII-UHFFFAOYSA-N 338.407 3.641 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)NCc1c[nH]nc1-c1cccs1 91645184 VUMJVHOGQORPKP-UHFFFAOYSA-N 346.481 3.957 0 50 EHAA CCCc1nc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cs1 91504588 TZGKUGGPKQGCKN-UHFFFAOYSA-N 340.452 3.520 0 50 EHAA Cc1ccnc([C@H](NC(=O)Nc2cccc3nnc(C)cc23)C2CC2)c1 95497164 CNAAVWVYYFTMCH-LJQANCHMSA-N 347.422 3.914 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 299739913 SUMMZYBDXVPSDQ-AHLTXXRQSA-N 341.282 3.683 0 50 EHAA Cc1nc(C(F)(F)F)c(CN[C@H](CCO)C2CCCCC2)s1 183703179 FKMQUTSIOGSWGY-GFCCVEGCSA-N 336.423 3.891 0 50 EHAA Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)C[C@H]1CC1(F)F 1940195369 OSSFSBMTGCWRQL-LBPRGKRZSA-N 339.773 3.877 0 50 EHAA CCN(CC1CCOCC1)C(=O)NCc1ccc(-c2ccccc2)o1 670468724 RDAMGJDQGQPGIF-UHFFFAOYSA-N 342.439 3.905 0 50 EHAA CC(=O)Nc1ccc(N[C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 272708339 BZZQQXKWJHKOQG-QFBILLFUSA-N 337.467 3.968 0 50 EHAA COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)cc1O 170612585 ZGRFNDBZBLEHRE-MRXNPFEDSA-N 344.798 3.752 0 50 EHAA COC(=O)[C@@H](C)Cc1ccc(NC(=O)Nc2ccc(O)cc2C)cc1 190280837 DRWYILUOKWWARF-ZDUSSCGKSA-N 342.395 3.696 0 50 EHAA Cc1cnc([C@H](C)NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)[nH]1 1506417097 GOQVLKLXQLYQCL-AWEZNQCLSA-N 349.500 3.672 0 50 EHAA Fc1cccc2ccc(CN3CCC[C@@]4(CCc5c[nH]nc54)C3)nc12 1775982948 VVPJEKUBSRIMAJ-HXUWFJFHSA-N 336.414 3.577 0 50 EHAA CN(C(=O)C1CCCCC1)[C@@H]1CCCN(Cc2ccccc2F)C1 12302908 LSDUDPCMZQBEQF-GOSISDBHSA-N 332.463 3.829 0 50 EHAA Cc1cc(C)c(CN[C@H]2COc3ccccc3C2)c(-n2cccn2)c1 19771024 QIMYIKFBUBGZGU-GOSISDBHSA-N 333.435 3.582 0 50 EHAA Fc1ccc(OC2CCN(CCn3cc4ccccc4n3)CC2)cc1 19143857 HXZIMHQRSIYMGI-UHFFFAOYSA-N 339.414 3.719 0 50 EHAA COc1cccc2ccc(-c3nccn3CC[C@@H]3CCCOC3)nc12 1857682476 QNLXOLDSJBXIGM-HNNXBMFYSA-N 337.423 3.924 0 50 EHAA C[C@H](NC(=O)N1CC[C@@](C)(O)C1)c1ccc(-c2ccc(F)cc2)cc1 331875849 OBVNTSMOKNQLSE-VBKZILBWSA-N 342.414 3.720 0 50 EHAA CN1CC[C@H](C2CCN(Cc3c[nH]nc3C3CCCCC3)CC2)C1 12317779 BHFXDGKCVAMRBP-SFHVURJKSA-N 330.520 3.621 0 50 EHAA Cc1nn(-c2ccc(NC(=O)c3ccco3)cc2)c(=O)c2ccccc12 12444862 FTHWPRMJPDSWTM-UHFFFAOYSA-N 345.358 3.539 0 50 EHAA Cc1nc(-c2cccc(C(=O)O[C@@H]3CCN4CCC[C@H]4C3)c2)cs1 252502973 UWDUJTYKGHHOSE-DLBZAZTESA-N 342.464 3.902 0 50 EHAA COc1cc(Cl)c(F)cc1NC(=O)N1CC[C@H](c2cccnc2)C1 934151206 PUHDKXJJWDKGPQ-LBPRGKRZSA-N 349.793 3.904 0 50 EHAA C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCC=C(c2cccc(O)c2)C1 1875338929 QQHWBXQJBVVMEE-AWEZNQCLSA-N 347.418 3.629 0 50 EHAA O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1CC[C@@H]1c1ccccc1 1875306801 PJVWTRIIJKHEPF-AQNXPRMDSA-N 337.419 3.987 0 50 EHAA COc1cncc(CN=[S@](=O)(c2ccccc2)C(F)(F)F)c1 1875339774 YBQKLOVZORLHDH-QFIPXVFZSA-N 330.331 3.637 0 50 EHAA O=C(c1csc2nccn12)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1875336423 ZPZQBCHGSLMDBV-HNAYVOBHSA-N 337.448 3.937 0 50 EHAA Clc1ccccc1Cn1c(CN2CCOCC2)nc2ccccc21 19939661 QOFIFHWPDFSVTK-UHFFFAOYSA-N 341.842 3.570 0 50 EHAA CC[C@H](NC[C@H](CO)Cc1ccccc1C)c1ccccc1OC 2325742218 TVPKJCAHPCLBNT-XLIONFOSSA-N 327.468 3.896 0 50 EHAA C[C@@H](C(=O)O[C@@H]1CCC2(COC2)C1)c1cccc(Br)c1 2325799701 QUEJPOGZDXBPHK-BXUZGUMPSA-N 339.229 3.665 0 50 EHAA Cc1ccn(-c2ccc(CN3CC[C@H](c4cccnc4)C3)c(C)c2)n1 2325855769 OFHKCVIPKYXTNX-FQEVSTJZSA-N 332.451 3.874 0 50 EHAA Clc1ccccc1-n1ccc(CN2CCNCc3ccccc32)n1 2325856223 GJRNNZMKAONGAQ-UHFFFAOYSA-N 338.842 3.636 0 50 EHAA COC(=O)c1ccccc1CC(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C 2325865938 VIQPPNPZBCIIMG-WMZOPIPTSA-N 342.435 3.941 0 50 EHAA Cc1sc([C@H](C)N)nc1C(=O)NCc1cccc2ccccc12 2325868902 PTTBVVITPMMOEV-NSHDSACASA-N 325.437 3.554 0 50 EHAA COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 101264 SXWMTCDPIWGDBX-UHFFFAOYSA-N 332.208 3.803 0 50 EHAA NC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 335482 ZDNHADWQAWCRBX-UHFFFAOYSA-N 330.387 3.556 0 50 EHAA CNC(=O)c1ccccc1CC1(O)c2ccccc2Oc2ccccc21 397650 FEXGHALZSMTPJX-UHFFFAOYSA-N 345.398 3.631 0 50 EHAA COc1ccc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 448320 PAXUXWFJQOORAJ-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA O=C(NC[C@H]1CCCO1)c1ccccc1SCc1ccccc1 471774 OSJBENORZKZHNK-MRXNPFEDSA-N 327.449 3.888 0 50 EHAA CCCc1cc(=O)oc2cc(OC(=O)c3ccc(OC)cc3)ccc12 488669 YXEDNMVEVHHJAO-UHFFFAOYSA-N 338.359 3.973 0 50 EHAA biogenic O=S(=O)(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(F)cc1 1013272 QCPPLWYFAQPSNJ-UHFFFAOYSA-N 349.383 3.668 0 50 EHAA O=C1C[C@@H](c2c(F)cccc2Cl)c2cc3c(cc2N1)OCCO3 1061315 CZHBUODUVDGWLO-SNVBAGLBSA-N 333.746 3.724 0 50 EHAA Cc1csc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 1205260 JNYWPHOPAPMAAO-UHFFFAOYSA-N 330.434 3.919 0 50 EHAA CC(C)Sc1ccccc1Nc1nccc(N2CCC[C@H](O)C2)n1 2356145582 RDVPXEODFXWIEL-AWEZNQCLSA-N 344.484 3.682 0 50 EHAA Cc1ccc(OCCN2CCC[C@]23CCCN(C(C)C)C3=O)c(C)c1 2356168115 QGYBKGCUQYGPAU-OAQYLSRUSA-N 344.499 3.548 0 50 EHAA CCOC(=O)C1CCN(CCCOc2cccc(C(C)C)c2)CC1 6701866 SRLWDENCMLOQSB-UHFFFAOYSA-N 333.472 3.854 0 50 EHAA Cc1cccc(-c2noc(CN(C(=O)NC(C)(C)C)C(C)C)n2)c1 7781665 HQUOQWJPRHMRGP-UHFFFAOYSA-N 330.432 3.764 0 50 EHAA CC(C)(C)c1cccc(NC(=O)c2coc(C3CCOCC3)n2)c1O 225525823 SORAQURPYBQOBX-UHFFFAOYSA-N 344.411 3.824 0 50 EHAA Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)on2)no1 21718702 SMQQRWPTJAXFQC-INIZCTEOSA-N 341.342 3.754 0 50 EHAA CC(C)(CNC(=O)N1CC[C@H](Nc2ccccc2)C1)c1cccs1 114604782 HQNRXXBOCYDFOK-INIZCTEOSA-N 343.496 3.922 0 50 EHAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@@H]1CCC12CCCC2 350645044 BRAFOVLVSMKLDE-SNVBAGLBSA-N 330.354 3.592 0 50 EHAA Cc1cc(C(=O)N2CCCC[C@@H]2CCCO)c2ccc(C)c(C)c2n1 20450860 GLNLKUQALIIDNH-QGZVFWFLSA-N 340.467 3.927 0 50 EHAA CCc1n[nH]c2c1CN(C(=O)/C(=C/c1ccco1)c1ccccc1)CC2 32507831 ZIMYMELTRSOARW-GHRIWEEISA-N 347.418 3.691 0 50 EHAA COc1ccccc1OC1CN(Cc2c(C)ccc3ncccc23)C1 72158720 AXKPCSINBUMZSW-UHFFFAOYSA-N 334.419 3.815 0 50 EHAA CC(C)c1nc(CN(C)C(=O)c2ccccc2[C@H]2CCNC2)cs1 72153713 ZZYJRODLTVSPOP-AWEZNQCLSA-N 343.496 3.616 0 50 EHAA Cn1c([C@@H]2CCCN2Cc2ccc(Cl)cn2)nc2c1CCCC2 328639830 PQZJQYBGVBGVSQ-KRWDZBQOSA-N 330.863 3.684 0 50 EHAA COc1ccc2cc([C@@H]3CN(c4nc(C)ncc4C)CCO3)ccc2c1 71760117 AKCNIPPUCOYEQE-FQEVSTJZSA-N 349.434 3.833 0 50 EHAA Cc1nnc([C@H]2CC23CCN(c2ncccc2C(F)(F)F)CC3)o1 359905405 KIUCLRYZCKRLLR-GFCCVEGCSA-N 338.333 3.566 0 50 EHAA CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@H]1CCCc2occc21 281934852 QERNPPMFFLRRCK-AWEZNQCLSA-N 337.423 3.918 0 50 EHAA CCc1[nH]c2c(CNc3ncc(F)c(N(C)C)n3)cc(C)cc2c1C 71682206 ZATOLILOEJGXDS-UHFFFAOYSA-N 341.434 3.954 0 50 EHAA C[C@H](Cc1ccccc1F)C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 242339405 ZHOXQPJZIOHRGK-IWKCEXAMSA-N 333.447 3.546 0 50 EHAA Cc1cccnc1N1CCN(Cc2ccc(-c3ccccc3)nc2)CC1 72154471 KOGJSRPEIKYLKL-UHFFFAOYSA-N 344.462 3.774 0 50 EHAA Cc1nc2ccc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)cc2s1 215369039 JSPSIMMJFHTQFU-MRXNPFEDSA-N 342.468 3.646 0 50 EHAA Cc1cc(C)c(NC(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)c(C)n1 455543128 ZZWHGKQSSLUHTN-GFCCVEGCSA-N 345.365 3.580 0 50 EHAA C[C@H]1COc2ccccc2CN1C(=O)CCc1ncc(C(C)(C)C)o1 282302316 MBSSCDGHWFETPH-AWEZNQCLSA-N 342.439 3.714 0 50 EHAA CN(Cc1nnc[nH]1)C(=O)Nc1cccc(-c2cccc(Cl)c2)c1 241231138 KSJOBJHDWLRPTQ-UHFFFAOYSA-N 341.802 3.789 0 50 EHAA O=C(N[C@H](CC(F)F)C(=O)O)c1ccc(C2CCCCC2)cc1 262982240 KVXSXIYDMRQOCN-CQSZACIVSA-N 325.355 3.573 0 50 EHAA CCc1ccc(-c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)o2)cc1 173032160 GXYFQFBBERKSFK-UHFFFAOYSA-N 334.375 3.860 0 50 EHAA CC(C)Oc1cc(CN(C(=O)c2cc[nH]c2C2CC2)C2CC2)ccn1 285597602 LMBROPCBJIELHL-UHFFFAOYSA-N 339.439 3.879 0 50 EHAA O=C(NCCc1ccc(F)cc1)N1CCCC[C@@H]1c1cccnc1 426666922 BRRBRZQLKFQTQO-GOSISDBHSA-N 327.403 3.700 0 50 EHAA Fc1ccc(-c2ccc(N3CCSCC3)nn2)cc1C(F)(F)F 426398040 KKYIXNWJDPZXRD-UHFFFAOYSA-N 343.349 3.855 0 50 EHAA CC(C)NC(=O)c1ccnc(N2C[C@H](c3ccccc3)C(C)(C)C2)c1 426514634 JOSUBFJGLVKIHG-GOSISDBHSA-N 337.467 3.850 0 50 EHAA Cc1cc(C)n(Cc2ccc(C(=O)N(CC(C)C)CC(C)C)o2)n1 20617505 DEEGCXCEQJBRCQ-UHFFFAOYSA-N 331.460 3.895 0 50 EHAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)c1cccc2c1ccn2C 95378891 JQQTTYYOLWYSND-KRWDZBQOSA-N 347.462 3.777 0 50 EHAA Cc1cc(C)n(-c2cccc(CN3CCC[C@H](c4ccncn4)C3)c2)n1 97674250 SRYHSBXYCHJABF-IBGZPJMESA-N 347.466 3.659 0 50 EHAA O=C1OCc2ccc(NC(=O)N3CCCC[C@@H]3c3cccnc3)cc21 96151180 CCBAWMMSTIZHPV-QGZVFWFLSA-N 337.379 3.511 0 50 EHAA Cc1cc(C(=O)N(C)C)ccc1NC(=O)N[C@H](C)C1=CCCCC1 97528952 UTIGWWXXANVHEX-CQSZACIVSA-N 329.444 3.707 0 50 EHAA O=C(C[C@H]1CCc2ccccc21)NCCc1noc(-c2ccccc2)n1 91493806 DYCRZIIUKSBLTB-QGZVFWFLSA-N 347.418 3.515 0 50 EHAA CC(C)(C)OC(=O)N1CCN[C@H](c2cccc(Cl)c2Cl)C1 90635900 UQFCGECXOICQHY-LBPRGKRZSA-N 331.243 3.875 0 50 EHAA COc1ccc2c(C)c(C(=O)Nc3cnc4n3CCCC4)oc2c1 67982877 JGDDZBUHGJYZGZ-UHFFFAOYSA-N 325.368 3.535 0 50 EHAA Cc1cc(C(=O)N(C)[C@H](C)c2ccccc2F)c2c(C)nn(C)c2n1 298342085 DNQWWNJUWOWFRZ-CYBMUJFWSA-N 340.402 3.557 0 50 EHAA Cc1nc(CNC(=O)CSC23CC4CC(CC(C4)C2)C3)cs1 670467103 KNLIZVRFICNCEO-UHFFFAOYSA-N 336.526 3.770 0 50 EHAA CC(C)[C@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1N(C)C 1565516657 JIZWMMKDDZQULD-DOMZBBRYSA-N 343.393 3.755 0 50 EHAA CCNC(=O)c1cccc(NC(=O)[C@H]2C(C)=C2c2ccccc2)c1C 952987462 MMOGXRLVCZXKOD-IBGZPJMESA-N 334.419 3.787 0 50 EHAA COC1CCN(c2nc(C(F)F)nc3ccc(Cl)cc23)CC1 408520964 CZUSFNFOYBLOQZ-UHFFFAOYSA-N 327.762 3.836 0 50 EHAA c1ccc(NCc2cnc3ccccc3c2)c(CN2CCOCC2)c1 269328839 VOMJETSPGPDKSF-UHFFFAOYSA-N 333.435 3.679 0 50 EHAA COc1ccccc1-c1nn(C)cc1C(=O)N(C)[C@H](C)c1ccccc1 170618334 LDGKKJMAUKKMQC-OAHLLOKOSA-N 349.434 3.929 0 50 EHAA COc1cc(OC)cc(C2=NN(C(C)=O)[C@@H](c3cccc(C)c3)C2)c1 170615302 XBAWZDOSKZVCKP-HXUWFJFHSA-N 338.407 3.710 0 50 EHAA COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1Br 118011 GTYWJXAZHKHGSO-CSKARUKUSA-N 346.224 3.787 0 50 EHAA Cc1cccnc1[C@@H](Nc1ncccc1C(=O)N1CCCC1)C1CC1 1704302764 CEPUOVSSQXRGFA-SFHVURJKSA-N 336.439 3.584 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1ccc(Cl)cc1)N1CCC(O)CC1 12468798 UFNQCKBDDSNYES-IBGZPJMESA-N 343.854 3.845 0 50 EHAA O=C(NC[C@H]1CCCCN1)OCC1c2ccccc2-c2ccccc21 12649500 FJMWJNIFDZWLIV-OAHLLOKOSA-N 336.435 3.667 0 50 EHAA CCOc1ccccc1-c1nc(CN(C)C2CCOCC2)c(C)o1 14970988 UCPRTTNRCPHILS-UHFFFAOYSA-N 330.428 3.660 0 50 EHAA CCCn1cc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)c(C)n1 15062052 NBRMZCSRAXAPFX-IBGZPJMESA-N 330.451 3.817 0 50 EHAA CCCCOc1ccc(S(=O)(=O)Nc2ncccc2C)cc1C 16650727 JHMMFDALUODKJS-UHFFFAOYSA-N 334.441 3.678 0 50 EHAA CCCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1 1777943 FINDVLFRKFLXMR-BJMVGYQFSA-N 339.391 3.899 0 50 EHAA Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ncc(C(C)(C)C)s1 330918307 MWVXVXODWOYSKU-UHFFFAOYSA-N 342.415 3.830 0 50 EHAA Cc1ccoc1C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 252503878 VGXRRYJUVPKIHX-CYBMUJFWSA-N 335.201 3.627 0 50 EHAA Cc1nc(CC(=O)Nc2ncc(-c3ccc(Cl)cc3)[nH]2)cs1 1875251400 GAVNFSZYUYCWDF-UHFFFAOYSA-N 332.816 3.676 0 50 EHAA CCCn1nc(C)c(C(=O)N[C@@H]2CCCOc3ccccc32)c1C 124975247 KESTXYJRNWYCAF-MRXNPFEDSA-N 327.428 3.554 0 50 EHAA COc1cccc(OC)c1CN[C@H]1CCCc2cnn(C(C)C)c21 375764518 QSSGKBDYPLRVKD-INIZCTEOSA-N 329.444 3.648 0 50 EHAA CNc1cc(-c2noc([C@@H]3C[C@H]3c3c(F)cccc3Cl)n2)ncn1 904245642 CKXZHYIJVJANCH-RKDXNWHRSA-N 345.765 3.632 0 50 EHAA COc1ccc(C2=CCN(C(=O)CNc3ccccc3Cl)C2)cc1 1875258134 AQDCYXNGOJDCBE-UHFFFAOYSA-N 342.826 3.686 0 50 EHAA O=C(Nc1ccc(OC[C@@H]2C[N@]2CC2CC2)cc1)C1CCCCC1 1875384686 ILRQFEQVLJAKPU-AVRDEDQJSA-N 328.456 3.678 0 50 EHAA O=C(NC[C@@H]1C[C@]12CCOC2)c1cc(-c2ccccn2)ccc1Cl 1875307317 NGCZPSITBWIPOZ-LIRRHRJNSA-N 342.826 3.558 0 50 EHAA CCOc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(OC)cc1 1776004100 JMIDCJVFSUBGST-UHFFFAOYSA-N 342.800 3.515 0 50 EHAA CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12 207337 MZKRTLJHMJAGRV-UHFFFAOYSA-N 347.367 3.884 0 50 EHAA O=C(NCCc1c[nH]c2cccnc12)c1ccc(SC2CC2)cc1 2325802869 BYNFRDINXXKJER-UHFFFAOYSA-N 337.448 3.790 0 50 EHAA Cc1ncn(-c2ccc(NC(=O)[C@H]3CCCc4ncc(C)n43)cc2)c1C 2325804766 OFUBIOSPHQAWOJ-GOSISDBHSA-N 349.438 3.510 0 50 EHAA Cc1cc(Br)ccc1OCC(=O)N1CCc2ccccc21 37601 ZDGWFSYJFZKSNY-UHFFFAOYSA-N 346.224 3.726 0 50 EHAA O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1Cc1ccco1 450481 WFTBGSSAHGXLJD-SFHVURJKSA-N 330.343 3.595 0 50 EHAA biogenic COC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 465306 PEZDWRGTXDDJOA-UHFFFAOYSA-N 347.798 3.923 0 50 EHAA COc1ccc(CN2CCC[C@]3(CCc4c[nH]nc43)C2)cc1Cl 2356135795 TUFGDADCDIEAHF-SFHVURJKSA-N 331.847 3.552 0 50 EHAA CCS(=O)(=O)c1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 2554052 RGDGFPCXVBCEDF-UHFFFAOYSA-N 332.759 3.528 0 50 EHAA O=C(CSc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 4139752 ZOCSVRZLZFKVBB-UHFFFAOYSA-N 346.883 3.781 0 50 EHAA CCc1nnc(SCC(=O)Nc2ccccc2C(C)C)n1CC 6703146 BZUWPHQDKFJCBW-UHFFFAOYSA-N 332.473 3.715 0 50 EHAA CCCCN(Cc1ccco1)Cc1ccc(Sc2nncn2C)o1 55576009 HJVOTCGMARSSHA-UHFFFAOYSA-N 346.456 3.955 0 50 EHAA COc1ccc(CN2CCCC[C@H]2c2cccnc2)c(OC)c1OC 22022982 ZQUZIELFFRIYRS-KRWDZBQOSA-N 342.439 3.835 0 50 EHAA COc1ccc(Oc2ccc(C(=O)NCc3cc(C)on3)cc2)cc1 63846135 OFZQLXAWUBFCBY-UHFFFAOYSA-N 338.363 3.714 0 50 EHAA CCOc1ccc(CN(C(=O)c2cccc(O)c2C)C2CC2)cc1 63869840 GUEPMIOBLPTQMR-UHFFFAOYSA-N 325.408 3.904 0 50 EHAA CCc1cnc(NCc2cccnc2N(C)Cc2ccccc2)nc1 67757369 PDGJSKVTEMDGBL-UHFFFAOYSA-N 333.439 3.683 0 50 EHAA CC1(C)CCC[C@@H]1NC(=O)N1CC2(CCOCC2)c2ccccc21 252510116 ZBUWUURJECFEEI-KRWDZBQOSA-N 328.456 3.843 0 50 EHAA Cc1nnc(SCC(=O)N(C)[C@H](C)c2ccc3ccccc3c2)o1 67713905 ZHIKRQSWJFPFNU-GFCCVEGCSA-N 341.436 3.843 0 50 EHAA Cc1ccc2c(c1)c(CNc1nccc(CCC(F)(F)F)n1)nn2C 71575137 YJPRLBQOGLXHPF-UHFFFAOYSA-N 349.360 3.779 0 50 EHAA CC(C)c1nnc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)s1 328586530 NLINSTVBZJJLSU-NSHDSACASA-N 349.481 3.601 0 50 EHAA O=C(c1cc(-n2cccn2)ccn1)N1CC[C@@H]1c1ccc(Cl)cc1 365568839 USEWLMFCHOVYIB-QGZVFWFLSA-N 338.798 3.508 0 50 EHAA CC[C@@H](C(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3)n1cccn1 71771535 XEGDHEWDHOMFOH-IBGZPJMESA-N 336.439 3.511 0 50 EHAA Cc1nc(-c2cccc(C(=O)N[C@@H]3CCc4cc(F)ccc43)c2)no1 172799744 USCIFFSYJYHMCH-QGZVFWFLSA-N 337.354 3.601 0 50 EHAA Cc1ccc2c(C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)csc2c1 241846647 SMOIXFPQMKEZJQ-UGSOOPFHSA-N 347.505 3.994 0 50 EHAA Cc1c(CN2CCN(C3CCSCC3)CC2)oc2ccccc12 215375776 IJNDGDDTCMAVCK-UHFFFAOYSA-N 330.497 3.754 0 50 EHAA Cc1noc(C)c1C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 173947630 LWBKMYYZAHBBMF-ZDUSSCGKSA-N 333.457 3.891 0 50 EHAA CCCc1nc(C)c(-c2nc([C@@H](Cc3ccccc3)OC)no2)o1 453208001 ACEDPKQUYGBGNU-CQSZACIVSA-N 327.384 3.916 0 50 EHAA Cc1cc(Cl)ccc1NC(=S)N1CCN(Cc2ccco2)CC1 17072644 GEPYHNTZILRPFY-UHFFFAOYSA-N 349.887 3.756 0 50 EHAA Cc1cnc(CN(C)C(=O)N[C@H](C)c2ccccc2C(F)(F)F)[nH]1 426548498 KQVRWBXPHUBEJN-LLVKDONJSA-N 340.349 3.640 0 50 EHAA Cc1cc(C(=O)N[C@H]2COC3(CCCC3)C2)c2ccc(F)cc2n1 82115198 GDMOCIPSMHCOBV-CQSZACIVSA-N 328.387 3.514 0 50 EHAA CC(C)N1CCC(CC(=O)N2CCCC[C@@H]2c2ccccn2)CC1 95361410 HHDOXUBVRJCTDF-LJQANCHMSA-N 329.488 3.646 0 50 EHAA O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cnc2ccc(F)cc2c1 179327207 ZURMCQCQCAYFDX-MRXNPFEDSA-N 328.387 3.596 0 50 EHAA CCOC(=O)c1cnc2c(c(C)nn2CC)c1Oc1ccc(F)cc1 22902448 CVUBFUIRKJQQRV-UHFFFAOYSA-N 343.358 3.868 0 50 EHAA COCC1(C(=O)N(Cc2ccncc2)Cc2ccc(C)s2)CCC1 97823182 QNUTVWSGDXRBHZ-UHFFFAOYSA-N 344.480 3.797 0 50 EHAA C=Cc1ccc(NC(=O)NCc2nncn2C2CCCCC2)cc1 96167213 ZRISZEGPGVKPGG-UHFFFAOYSA-N 325.416 3.748 0 50 EHAA CC1=C(c2ccccc2)[C@@H]1C(=O)NCCC(=O)Nc1ccc(C)cc1C 828055669 KZFFLTWHJVKVCW-OAQYLSRUSA-N 348.446 3.852 0 50 EHAA C=CC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 1353214076 HYCLUENTWWHFOL-UHFFFAOYSA-N 343.223 3.693 0 50 EHAA CC(C)c1nccn1CCCNCc1ccc2cccc(F)c2n1 952972209 VCAHKEOCMQMOBA-UHFFFAOYSA-N 326.419 3.874 0 50 EHAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1ccc(F)c(F)c1 82146451 XKSIMODTFGRYRP-CQSZACIVSA-N 330.378 3.563 0 50 EHAA Fc1cccc(OCCNc2ccc(-n3cncn3)c(Cl)c2)c1 742261753 SCYDDEIRJDFWSF-UHFFFAOYSA-N 332.766 3.551 0 50 EHAA Clc1ccc([C@@H]2OCC[C@@H]2NCc2cn3ccsc3n2)cc1 192055031 MDRQZBSJTZFWPM-GJZGRUSLSA-N 333.844 3.669 0 50 EHAA Cc1ncc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)s1 195352664 WIEOWTZXGXZTFV-UHFFFAOYSA-N 348.855 3.840 0 50 EHAA C[C@@H]1CCC[C@H](CNC(=O)NCc2cccc(-c3ccccn3)c2)O1 664501621 QKYOONZNJJLVCX-CRAIPNDOSA-N 339.439 3.505 0 50 EHAA COc1cc(OC)c2nc(N(C)CCC[C@@H]3CCCO3)cc(C)c2c1 1529145973 RGUTYDWFNHRWRO-OAHLLOKOSA-N 344.455 3.956 0 50 EHAA Cc1ccc(CCC(=O)N2CCC(c3ccnc(O)c3)CC2)c(C)c1 1772809817 FEWHVCADUHXDAE-UHFFFAOYSA-N 338.451 3.743 0 50 EHAA CCOc1ccc(CN2CCC(c3ccnc(O)c3)CC2)cc1OC 1772816014 DNQPUGXASWCFQD-UHFFFAOYSA-N 342.439 3.574 0 50 EHAA CC(=O)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 12406143 VRODVRNIBGOQFR-LJQANCHMSA-N 339.391 3.699 0 50 EHAA CCc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 12651486 JKCPTJFONRIKBW-UHFFFAOYSA-N 344.842 3.991 0 50 EHAA Cc1sc2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(=O)n2c1C 16652227 NYUXYZICTLWCCN-UHFFFAOYSA-N 341.436 3.749 0 50 EHAA CSc1ccccc1C(=O)Nc1nc(=O)c2ccccc2s1 16977142 DCAFWBDZIBARGM-UHFFFAOYSA-N 328.418 3.631 0 50 EHAA CCOCCn1nc(CC)nc1[C@]1(c2ccccc2F)CC1(C)C 1857679367 IYLBKXUORVFKFK-LJQANCHMSA-N 331.435 3.732 0 50 EHAA CCCNC(=O)c1ccccc1NC(=O)c1cc2ccc(C)cc2[nH]1 913087000 OSKFXEAHRCGNST-UHFFFAOYSA-N 335.407 3.868 0 50 EHAA CCc1cccc(C)c1NC(=O)c1cc(C)c(OCC(=O)O)c(C)c1 236998996 WLARSBPMGABCGT-UHFFFAOYSA-N 341.407 3.890 0 50 EHAA O=C(O)C[C@H](NC(=O)c1cccc2[nH]ccc12)c1cccc(Cl)c1 776678250 PQENPUHVWLGCDT-INIZCTEOSA-N 342.782 3.767 0 50 EHAA c1cc(NCc2cnc([C@H]3CCCO3)s2)cc(-c2cc[nH]n2)c1 902677675 INOSYCOEHXDAIK-MRXNPFEDSA-N 326.425 3.997 0 50 EHAA CC(C)Cn1cccc(-c2nc(-c3ccc(C(F)F)nc3)no2)c1=O 904105618 QCTLZWNKVINRFH-UHFFFAOYSA-N 346.337 3.554 0 50 EHAA Cc1cccc(C)c1CN(C)C(=O)c1cccc(NC(=O)C2CC2)c1 1289320580 FIVLAVCUCPXWEJ-UHFFFAOYSA-N 336.435 3.924 0 50 EHAA O=C(Nc1[nH]nc2cnccc12)c1cc(F)c(Cl)cc1Cl 1875318170 ONBMKKGTXGOBPZ-UHFFFAOYSA-N 325.130 3.656 0 50 EHAA O=C(N[C@H](C(F)F)C1CCCCC1)c1cccn(C2CCC2)c1=O 1875301581 OIDBBNYTQYTGFI-HNNXBMFYSA-N 338.398 3.517 0 50 EHAA CC(C)(C)n1ncc2c(NCc3cc(O)ccc3Cl)ncnc21 882917662 RTFZIALECWPXBM-UHFFFAOYSA-N 331.807 3.552 0 50 EHAA O=C1COc2ccc(CN[C@H]3CC[C@H](c4ccccc4F)C3)cc2N1 885810233 PZBQIOJDRWUGDQ-GJZGRUSLSA-N 340.398 3.583 0 50 EHAA COc1c(F)cccc1NS(=O)(=O)c1sccc1C1CC1 2325772344 DLNHIJRRSPTVOX-UHFFFAOYSA-N 327.402 3.574 0 50 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327.449 3.582 0 50 EHAA O=C(Nc1ccccc1)Nc1nnc(-c2ccc3c(c2)OCO3)s1 8768753 AQGWFVILXOJNAN-UHFFFAOYSA-N 340.364 3.578 0 50 EHAA O=C(/C=C/c1cccs1)Nc1ccc(C(=O)N2CCCC2)cc1 12404484 VDWQJPJKWUBTGN-MDZDMXLPSA-N 326.421 3.636 0 50 EHAA COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 12420254 SKSCNLSPWGFJDZ-WJDWOHSUSA-N 325.389 3.932 0 50 EHAA O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCOCC1 12729821 FONGMJUTQTTWOT-SAPNQHFASA-N 327.811 3.739 0 50 EHAA Cc1ccc2c(c1)CN(CCC(=O)N1CCCCCCC1)C[C@H](C)O2 14989783 IMXATPRVPUKHCU-SFHVURJKSA-N 344.499 3.761 0 50 EHAA CCCN1CCC(NC(=O)c2cc3c(s2)CC[C@H](CC)C3)CC1 16605822 BJFPYMJMNLSJTJ-AWEZNQCLSA-N 334.529 3.867 0 50 EHAA O=C(NCCCc1ccccc1)C1CCN(Cc2ccccc2)CC1 44909255 JUBVNFODYHIVAZ-UHFFFAOYSA-N 336.479 3.648 0 50 EHAA CC[C@H](Nc1cccc(OC)c1)C(=O)NCc1cccc2[nH]ccc12 55168033 FXMUTCYELZTSJX-SFHVURJKSA-N 337.423 3.683 0 50 EHAA Cc1ccc(CNc2ccc(C(=O)N(C)C[C@H]3CCCO3)cc2)cc1 55168740 LFOHPFHZHOCTBZ-HXUWFJFHSA-N 338.451 3.858 0 50 EHAA CO[C@H](C(=O)Nc1cc(C)nn1Cc1cccc(C)c1)c1ccccc1 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O=S(=O)(c1ccc2ccccc2c1)N1CCC[C@@H](C(F)(F)F)C1 2620234 PINYFNIRAHLUNW-CQSZACIVSA-N 343.370 3.803 0 50 EHAA CN(C)CCCNC(=O)c1cc(-c2cccs2)nc2ccccc12 2627723 LTGWLFPMTVYENR-UHFFFAOYSA-N 339.464 3.645 0 50 EHAA CCCc1cc(=O)oc2cc(OS(=O)(=O)c3ccccc3)ccc12 2994369 BRMCTVWRJHRBPH-UHFFFAOYSA-N 344.388 3.513 0 50 EHAA O=C(OCc1cccc(F)c1)c1cc(Br)ccc1O 3105469 FPQXUVFWMWZMGM-UHFFFAOYSA-N 325.133 3.651 0 50 EHAA CCOCCOc1cccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)c1 4810704 GQUNZUZGKKDCMP-HNNXBMFYSA-N 343.423 3.602 0 50 EHAA COc1ccc(OC)c2c(O)c(CN3CCCC[C@@H]3C)c(C)nc12 8717349 OKANURXPTRDENB-LBPRGKRZSA-N 330.428 3.640 0 50 EHAA O=C(Nc1ccccc1)Nc1nnc(Cc2ccc(F)cc2)s1 8914534 UFAOFDMYTKUVEZ-UHFFFAOYSA-N 328.372 3.912 0 50 EHAA COc1cc2c(cc1-c1nccn1CCc1cccc(F)c1)OCO2 67908699 CKSXKWIMJFFYEU-UHFFFAOYSA-N 340.354 3.669 0 50 EHAA Cc1cccc(C)c1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1F 20252442 PAPYEXRABSAMRM-KRWDZBQOSA-N 340.398 3.686 0 50 EHAA CCc1[nH]nc2c1CN(C/C(C)=C/c1cc(Cl)ccc1O)CC2 23192294 AMONAVBIRLWHIP-XYOKQWHBSA-N 331.847 3.793 0 50 EHAA CCC1=NO[C@@H](CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)C1 67935301 VMLNXBKFHAGWSF-CYBMUJFWSA-N 347.365 3.533 0 50 EHAA FC(F)c1nnc2ccc(N3CCC[C@@H]3/C=C/c3ccccc3)nn12 253419497 XMPIIEDPMSFQQT-MYSGNRETSA-N 341.365 3.744 0 50 EHAA CC(C)c1nc(NC(=O)CC2(Cn3cccc3)CCCCC2)n[nH]1 409413302 HILTVABQFJAOPI-UHFFFAOYSA-N 329.448 3.709 0 50 EHAA Cc1cc(C)nc(S[C@H](C)c2nc(Cc3ccccc3)n[nH]2)n1 65385596 OHXVSQMLWCQRBK-CYBMUJFWSA-N 325.441 3.656 0 50 EHAA Cc1cc(OC[C@H](O)CN2CCc3ccccc3C2)ccc1C(C)C 350506 NQSMIJDNDFNKMS-HXUWFJFHSA-N 339.479 3.916 0 50 EHAA O=C(Nc1ccccc1F)c1cnn2c(C(F)F)cc(C3CC3)nc12 2781424 BJYKJBYYRXHXCK-UHFFFAOYSA-N 346.312 3.936 0 50 EHAA Cc1cnn([C@H](C)C(=O)N(C)Cc2csc(-c3ccccc3)n2)c1 72477232 DMUAPSWBUYHNRE-CQSZACIVSA-N 340.452 3.535 0 50 EHAA Cc1c(C(=O)NCc2cncn2CC(C)C)oc2c(F)cccc12 77357796 HBDFQTFGPJKMKP-UHFFFAOYSA-N 329.375 3.663 0 50 EHAA Clc1ccccc1OC1CN(C[C@@H]2CCCN3CCCC[C@H]23)C1 72155959 RGCORGNDBQVVLK-MAUKXSAKSA-N 334.891 3.668 0 50 EHAA C[C@H](Cn1ccnc1-c1ccnc2ccccc12)Oc1cccnc1 71775681 WINOWRXYVKRUSM-OAHLLOKOSA-N 330.391 3.961 0 50 EHAA CC(C)N1CCC[C@H](CN(C)Cc2c[nH]c(CC3CCCC3)n2)C1 72144128 CIHYUTMCWPJETA-GOSISDBHSA-N 332.536 3.695 0 50 EHAA Cc1c[nH]c(CN2CCC[C@H](CCc3ccccc3F)C2)c(C)c1=O 72126648 AXYMHPKYMDALCT-QGZVFWFLSA-N 342.458 3.976 0 50 EHAA CCn1cc(CN2CCC[C@H](COc3cccc(OC)c3)C2)c(C)n1 72150940 XGNWUIFTZLANPH-KRWDZBQOSA-N 343.471 3.511 0 50 EHAA CO[C@H](Cn1ccnc1-c1cccc2nonc12)c1cccs1 71749518 YXXVTZQNLPOTGW-CYBMUJFWSA-N 326.381 3.536 0 50 EHAA CCOC1CC2(CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)C2)C1 286746463 RGQJCXNYDVCRBL-UHFFFAOYSA-N 332.831 3.853 0 50 EHAA CC(=O)c1cn(CCC(=O)Nc2nc(C)cs2)c2ccccc12 40287328 VYQLTFWOVRDHMP-UHFFFAOYSA-N 327.409 3.638 0 50 EHAA O=C(NC12CC3CC(CC(C3)C1)C2)N1CC(Oc2ccccc2F)C1 426424179 BNOHTZDWPQKTKZ-UHFFFAOYSA-N 344.430 3.567 0 50 EHAA CC[C@H](NC(=O)c1c(C(=O)O)cnn1C)c1ccc([C@H](C)CC)cc1 20616514 OBQVDMOPTVHBGL-WBMJQRKESA-N 343.427 3.513 0 50 EHAA CC(C)Cc1cc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)n(C)n1 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BDDNDFYQROQZDO-YPEWMDEPSA-N 344.451 3.629 0 50 EHAA Cc1ccc(N2CCC(NCc3noc(C(C)C)n3)CC2)cc1Cl 822285035 JHTAVLFICKTJHE-UHFFFAOYSA-N 348.878 3.913 0 50 EHAA CCCNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCc3ccccc32)c1 952990878 JHIXTUCROQABPT-GOSISDBHSA-N 336.435 3.803 0 50 EHAA Cc1n[nH]c(C)c1NC(=O)CSCc1ccc(F)c(Cl)c1 170604969 LQHILSJMHYZRDV-UHFFFAOYSA-N 327.812 3.691 0 50 EHAA Cc1c(-c2ccccc2)[nH]c(SCc2cncc(F)c2)nc1=O 189481306 QLIOPVVDUFEZMN-UHFFFAOYSA-N 327.384 3.572 0 50 EHAA O=C(N[C@@H]1CCCc2c(O)cccc21)c1c[nH]nc1-c1ccccc1 190279228 DBMMBARZGOCBLA-QGZVFWFLSA-N 333.391 3.590 0 50 EHAA CN(Cc1ccccc1N1CCCC1)[C@@H]1CCc2ccccc2NC1=O 191851297 YRPCOPIVJKBNDV-OAQYLSRUSA-N 349.478 3.672 0 50 EHAA C[C@@H](c1ccc(Cl)cc1)[S@](=O)Cc1nnc(C2CCC2)n1C 194543717 UIQXDTUNWPOODJ-KPWVOAKYSA-N 337.876 3.746 0 50 EHAA O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Br)cc1Cl 18241059 MGBZXEPJVNQDGV-UWVGGRQHSA-N 342.620 3.782 0 50 EHAA C[C@H]1CCCC[C@H]1NC(=O)c1csc(NC(=O)OC(C)(C)C)n1 1775975732 FJKDDOWYSSBKGW-WDEREUQCSA-N 339.461 3.799 0 50 EHAA CC(C)OC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1CCCO1 12382844 CDGXGFZQCQFHGL-LBPRGKRZSA-N 325.430 3.554 0 50 EHAA CC[C@H](C)CC(=O)NC[C@@H]1Cc2cc(C)cc(-c3ccccn3)c2O1 14985733 BVCSZAZHVCHMBZ-YOEHRIQHSA-N 338.451 3.913 0 50 EHAA COc1ccc(NC(=O)c2sc(-c3cccnc3)nc2C)cc1 16649970 HTGBVXHBXGIJKC-UHFFFAOYSA-N 325.393 3.774 0 50 EHAA O=C(c1ccccc1F)N1CCN(Cc2ccc3ccccc3c2)CC1 19831674 CGTVRVNJBIYHHQ-UHFFFAOYSA-N 348.421 3.937 0 50 EHAA O=C(NCCc1ccc(Cl)cc1)c1ccccc1-c1ncc[nH]1 19853386 REYQGGRQHNSAGR-UHFFFAOYSA-N 325.799 3.703 0 50 EHAA Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCC(C)C)cc1 2677867 XJFHNHLXUIEMKN-GZTJUZNOSA-N 342.464 3.600 0 50 EHAA FC(F)(F)Cc1cccc(-c2nccn2CCCn2ccnc2)c1 1857706334 FTGCDIVBFVZJCS-UHFFFAOYSA-N 334.345 3.942 0 50 EHAA Cc1ccc(Br)c(C(=O)N[C@H](CCO)c2ccccc2)c1 305660412 GOBDJHCSTFNPOY-MRXNPFEDSA-N 348.240 3.611 0 50 EHAA Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 266786942 HRJWDCZCCXULME-ZMSDIMECSA-N 344.459 3.603 0 50 EHAA O=C(c1nccc2occc12)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 855035472 GXQRYFMKMGDBKX-WDSOQIARSA-N 348.402 3.963 0 50 EHAA CCN(C[C@@H](C)O)C(=O)c1cc(C2CC2)nc2cc(C)cc(C)c12 952845472 ZFGVNFZPHDYGRF-CQSZACIVSA-N 326.440 3.572 0 50 EHAA CSc1ccc(-c2noc(-c3ccn(C4CCOCC4)n3)n2)s1 1875274903 HUIZFHLPHWRFOM-UHFFFAOYSA-N 348.453 3.735 0 50 EHAA O=C([C@@H](NCc1cncc2ccccc12)c1ccccc1)N1CCCC1 1875257058 SIZZHOLFIKQXHW-NRFANRHFSA-N 345.446 3.688 0 50 EHAA Cc1ccc(CN2CCCC2)cc1NC(=O)C1=CC2(CCOCC2)C1 1776006719 UINAFEVMSYOBGQ-UHFFFAOYSA-N 340.467 3.656 0 50 EHAA Cn1ccnc1SCC(=O)N1c2ccccc2CCc2ccccc21 53231 LVPOKEWQVAPHDD-UHFFFAOYSA-N 349.459 3.976 0 50 EHAA CCOC(=O)c1ccc(CNC(=O)c2cc(C(C)(C)C)oc2C)o1 135729 BEEZNWLPFBEOPP-UHFFFAOYSA-N 333.384 3.585 0 50 EHAA Cc1nc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cs1 117173674 UVPDNMOBMSZWLH-UHFFFAOYSA-N 336.844 3.789 0 50 EHAA C[C@@H](NCc1ccc(-c2cnn(C)c2)cc1)c1ccc2c(c1)OCO2 2325740404 DFUPMVWCVAGYHJ-CQSZACIVSA-N 335.407 3.667 0 50 EHAA O=C(O[C@H]1C[C@H](n2ccnc2)C1)[C@H]1COc2ccc3ccccc3c2C1 2325799096 UKEWYQPHMNJMDR-BRWVUGGUSA-N 348.402 3.534 0 50 EHAA CC(C)N(C)Cc1ccc(NC(=O)c2nccc3ccn(C)c23)cc1 2325856533 UCDKZQRFUYSKCC-UHFFFAOYSA-N 336.439 3.666 0 50 EHAA COc1ccccc1N1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 318079 LFQRYQYOQQOXCN-QGZVFWFLSA-N 338.451 3.538 0 50 EHAA O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1cccc(Cl)c1 470839 LIVQOXDHAOMCER-UHFFFAOYSA-N 343.814 3.789 0 50 EHAA CC[C@]1(O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC(C)C 2040859 TUNMGCULOKMBNJ-CDXJDZJCSA-N 347.499 3.810 0 50 EHAA O=C1N(C2CC2)CCC[C@@]12CCCN2Cc1c(F)cccc1Cl 2356166134 PHZRRQDTWDUNFD-SFHVURJKSA-N 336.838 3.599 0 50 EHAA Cc1ccc(CCC(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)c(C)c1 2356166475 ZBEANZFLVRMSGV-LEWJYISDSA-N 337.463 3.613 0 50 EHAA Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2C)n1 4383845 VKWNZTGNPDHYPY-UHFFFAOYSA-N 341.358 3.843 0 50 EHAA COc1cc2c(c(OC)c1OC)[C@H](c1ccc(Cl)cc1)CC(=O)N2 4911580 YLKDOFDRGRVLMX-LBPRGKRZSA-N 347.798 3.840 0 50 EHAA Cc1ccc2cccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2n1 6716007 RKZBSCKWPBAGGK-VQTJNVASSA-N 338.407 3.604 0 50 EHAA CC1=C[C@H](c2ccccc2)n2nc(NC(=O)c3ccc(F)cc3)nc2N1 100829112 AMAXJBPBVFMBHG-MRXNPFEDSA-N 349.369 3.588 0 50 EHAA CC[C@H](C)NC(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 8611496 JQSHOVCXGXFSRU-ZDUSSCGKSA-N 338.407 3.956 0 50 EHAA CCCC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2csc(C)n2)cc1 55403317 UZMGCWLCBDLWPJ-LBPRGKRZSA-N 345.468 3.610 0 50 EHAA O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)C1CC1 344778870 SGXPHSPWOCNECC-UHFFFAOYSA-N 344.823 3.758 0 50 EHAA CCOC(=O)[C@H]1CCCN(c2cc(C)c3ccc(Cl)cc3n2)C1 23634316 BABMYYWLLKWGJI-ZDUSSCGKSA-N 332.831 3.976 0 50 EHAA CN(C)C(=O)c1ccc(-c2cccc(-c3ccn(CC4CC4)n3)c2)o1 20600643 APPIIYGOPOUFTA-UHFFFAOYSA-N 335.407 3.922 0 50 EHAA Cc1ccc(NC(=O)NC[C@@H]2CCN(Cc3ccco3)C2)cc1C 67676065 SYHAGSPWSGGBDP-INIZCTEOSA-N 327.428 3.540 0 50 EHAA O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)[C@H]1CCCc2[nH]cnc21 252482483 DGRYJRSEINHSOG-HKUYNNGSSA-N 349.409 3.875 0 50 EHAA CN(C)Cc1noc(-c2cccc(NCc3ccc(F)cc3)c2)n1 67787835 ZNVUVMHZNVEGRJ-UHFFFAOYSA-N 326.375 3.549 0 50 EHAA CS(=O)(=O)Nc1cccc(-n2ccnc2-c2cccc(Cl)c2)c1 72463277 VKMRFCOCWBURBV-UHFFFAOYSA-N 347.827 3.564 0 50 EHAA C[C@@H](c1cc2ccccc2o1)N(C)C[C@@H](O)c1ccc2c(c1)OCO2 229502779 HVMIASPINQGXDM-XJKSGUPXSA-N 339.391 3.888 0 50 EHAA CC(C)N(C)c1cccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)c1 154023659 PCILXVIVMONZTF-UHFFFAOYSA-N 341.459 3.666 0 50 EHAA Cn1cc(C2CCN(C(=O)c3occc3-c3ccccc3)CC2)cn1 122810488 OABRKXDGTAMOOH-UHFFFAOYSA-N 335.407 3.700 0 50 EHAA O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@H]2CCCC[C@H]21 229961048 VPUBDOWRWJDBFI-VQIMIIECSA-N 331.481 3.958 0 50 EHAA Cc1cc(=O)c(C(=O)N2CCCC[C@H]2CCc2ccccc2)c(C)[nH]1 77505973 ZTMCOKOMPBTUSX-SFHVURJKSA-N 338.451 3.619 0 50 EHAA CN1CCC(N(CCc2ccccc2)C(=O)C[C@@H]2C=CCC2)CC1 72453419 UZUJIHWQOXGZJF-LJQANCHMSA-N 326.484 3.508 0 50 EHAA Cc1occc1C(=O)N1CCC[C@H](C(=O)CCc2ccccc2)C1 77343419 CWLQTIJUCZYZFA-KRWDZBQOSA-N 325.408 3.642 0 50 EHAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc2ccccc2s1 240744100 HUMCFTWFFZEXMI-CFVMTHIKSA-N 330.453 3.602 0 50 EHAA COc1cccc(CN2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 286017983 AQOBPIRPYQGEFB-DLBZAZTESA-N 343.427 3.657 0 50 EHAA O=C(NC[C@@H]1CCCO1)N(CCc1ccccc1)Cc1ccccc1 42865490 MAWRCKRGVZIJNA-FQEVSTJZSA-N 338.451 3.620 0 50 EHAA CCCN(Cc1nccn1C)C(=O)Nc1ccc(C)c2ncccc12 426622901 GPWXDELJHCKMFG-UHFFFAOYSA-N 337.427 3.721 0 50 EHAA Cc1onc(-c2ccccc2Cl)c1-c1nc([C@@H]2CCOC2)no1 96147979 FJNAOCCRGYKXQA-SNVBAGLBSA-N 331.759 3.857 0 50 EHAA O=C(Cc1ccncc1)N(Cc1cccc(Br)c1)C1CC1 265906024 PUFKAEALPLUCEU-UHFFFAOYSA-N 345.240 3.578 0 50 EHAA CC[C@@H](NC(=O)Nc1ccc(-c2cccc(C)c2)cc1)C(=O)N(C)C 96139865 CSHADFXNKUZYOJ-GOSISDBHSA-N 339.439 3.650 0 50 EHAA CC[C@@H](NC(=O)c1ccc(-c2ccccc2OC)cc1)[C@H]1C[C@H](O)C1 244734844 NMUAVCMTQBYRMM-ZHALLVOQSA-N 339.435 3.642 0 50 EHAA O=C(O)[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F 299746567 YEFUZAMEZNKQRX-NXEZZACHSA-N 342.144 3.688 0 50 EHAA Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CC(C)(C)OC1(C)C 183083383 NFABNTSYYCADLW-INIZCTEOSA-N 341.455 3.565 0 50 EHAA COc1cccc(-c2cccc(C(=O)NCCc3c(C)n[nH]c3C)c2)c1 670469349 FOEYJAJSVXYNAC-UHFFFAOYSA-N 349.434 3.675 0 50 EHAA CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1ncoc1C1CC1 1339199631 DCPSZGFRFBICPK-NSHDSACASA-N 345.468 3.796 0 50 EHAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCCOC1CCCC1)(C3)C2 952980287 WRLGWSAVUCDMFM-UMSONDCASA-N 349.515 3.563 0 50 EHAA CCc1cccc2c1N(Cc1cc(=O)n3c(C)csc3n1)CCC2 170626712 YIGFSFGPSSBTNN-UHFFFAOYSA-N 339.464 3.580 0 50 EHAA CCCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 2092364 GNGDZJYLDAWLCD-BOPFTXTBSA-N 325.339 3.959 0 50 EHAA O=C1NC(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)S1 1063046 DGNNNPCJYYILHO-OQLLNIDSSA-N 329.352 3.729 0 50 EHAA O=C(c1ccc(OCCCCN2CCCCC2)cc1)C1CCOCC1 1772809569 AGOFFLWQEMVPGD-UHFFFAOYSA-N 345.483 3.941 0 50 EHAA CCOc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OCC 5013573 KUZBSICIGBHWER-UHFFFAOYSA-N 348.487 3.523 0 50 EHAA C[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)O 5141479 YUVKUEAFAVKILW-VIFPVBQESA-N 327.258 3.745 0 50 EHAA biogenic,in-vitro CN(Cc1ccccc1Cl)C(=O)c1cn(C2CCCCC2)nn1 12475356 ALFLROOKRQYHRY-UHFFFAOYSA-N 332.835 3.709 0 50 EHAA COc1ccccc1C(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 12745477 RUXKFNZBBLVLAZ-INIZCTEOSA-N 327.399 3.929 0 50 EHAA O=C(c1ccncc1)N1CCC[C@H](CCc2ccc(F)cc2F)C1 12761461 SPUGOHOCTVTXHN-CQSZACIVSA-N 330.378 3.845 0 50 EHAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1c(F)cccc1Cl 13327859 DUJUXMDTLDGUDV-UHFFFAOYSA-N 346.789 3.967 0 50 EHAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1cc2cccc(Cl)c2n1C 1857676522 ITJGEAGVQBLDBX-CRFBAAHOSA-N 346.858 3.597 0 50 EHAA NCc1nc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)cs1 225471744 RBXXVRVQLWFRGZ-UHFFFAOYSA-N 349.887 3.840 0 50 EHAA CC1(C)CN(S(=O)(=O)c2sccc2Cl)[C@@H]1c1ccncc1 333739201 VKIFKDATCRVWOO-GFCCVEGCSA-N 342.873 3.568 0 50 EHAA CC[C@H](NC(=O)Cc1ccc([S@@](C)=O)cc1)c1cccc(Cl)c1 390833899 OPUCTJDJPHMISP-GAJHUEQPSA-N 349.883 3.887 0 50 EHAA Cc1ccc(NC(=O)c2nnc(C3CC3)o2)cc1OCCC(C)C 900799749 WQBGJQJTAKFMLJ-UHFFFAOYSA-N 329.400 3.933 0 50 EHAA CS(=O)(=O)Nc1nc(-c2cc3cc(Cl)ccc3o2)cs1 1875256964 ZBHFCCRSNPXZIZ-UHFFFAOYSA-N 328.802 3.581 0 50 EHAA Cn1nc(O)cc1C(=O)Nc1ccc(Cl)c(SCC2CC2)c1 1875294428 RRMPOIMHYHNERS-UHFFFAOYSA-N 337.832 3.534 0 50 EHAA C/C(=C\C(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1)c1ccccc1C 886031116 PZKGUVVARLYIRG-BHLABRKNSA-N 336.435 3.782 0 50 EHAA Cc1cc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)c(C)s1 886550592 IEEOQKYWVRHVMT-UHFFFAOYSA-N 339.420 3.655 0 50 EHAA O=C(Nc1c[nH]c2ccccc12)c1nc(C(F)(F)F)n2c1CCCC2 888116366 KAIZJMRRNZXENR-UHFFFAOYSA-N 348.328 3.972 0 50 EHAA COc1ccc([C@H]2C[C@H](NC(=O)[C@H](C)c3cccc(O)c3)C2)cc1F 1775987883 FDLTVUCQFLOMIZ-DAXOMENPSA-N 343.398 3.706 0 50 EHAA Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCNCC2)c1 299785452 RDNXFDJQIKYEFN-UHFFFAOYSA-N 330.435 3.981 0 50 EHAA O=C(O)C1(CC(F)F)CCN(Cc2ccc(C3CCC3)cn2)CC1 2325791913 IGDONYXICDLZNI-UHFFFAOYSA-N 338.398 3.671 0 50 EHAA C[C@@H]1CN(Cc2ccccc2)CCN(c2nccc3cccnc23)C1 2325860551 LCOCEXQCEFGMMZ-QGZVFWFLSA-N 332.451 3.588 0 50 EHAA C[C@@H]1CCCN(Cc2ccc(NC(=O)c3cc[nH]c4nccc3-4)cc2)C1 2325861415 OZSZALGAGBKBJN-OAHLLOKOSA-N 348.450 3.999 0 50 EHAA O=C(CSC1=NCCS1)Nc1nc(-c2ccccc2)cs1 33285 ZNDNMYJPYBXMBA-UHFFFAOYSA-N 335.479 3.585 0 50 EHAA CCOC(=O)c1c(C)n(CC)c2cc(Br)c(O)cc12 55150 WRQASUHYBRSCJR-UHFFFAOYSA-N 326.190 3.614 0 50 EHAA O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1Cc1ccccc1F 117635 LXEMEILJHSCWGF-QFIPXVFZSA-N 347.389 3.870 0 50 EHAA Cc1ccc([C@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)cc1 196930 JRASIAATKYGRMC-MRXNPFEDSA-N 329.421 3.630 0 50 EHAA CC(=O)c1cnc2cc(-c3ccc(Br)cc3)nn2c1C 208619 RGZBLGLTCIZNAP-UHFFFAOYSA-N 330.185 3.670 0 50 EHAA COc1ccc(Cc2nn3c(-c4ccc(C)cc4)nnc3s2)cc1 384985 XKUBEMPWAMAVLU-UHFFFAOYSA-N 336.420 3.761 0 50 EHAA C[C@@H](NC(=S)N1CCN(c2ccccc2F)CC1)c1ccccc1 2782101 MATIXAQEMKGLEM-OAHLLOKOSA-N 343.471 3.583 0 50 EHAA CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccco1 2868306 OHMOGWLXGBNVKG-UHFFFAOYSA-N 334.375 3.804 0 50 EHAA CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2F)cc1 2984154 ZBJVVMCLHDALFR-UHFFFAOYSA-N 332.400 3.741 0 50 EHAA COc1ccc(NC(=O)CCCC(=O)Oc2ccccc2F)cc1 5249232 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CC1(C(=O)N2CCc3[nH]nc(-c4cccc5ccccc45)c3C2)CC1 67605229 VOCUXFFGXSMDTD-UHFFFAOYSA-N 331.419 3.915 0 50 EHAA CC(C)c1nccc(CN2CCC[C@H](C(=O)Cc3ccccc3)C2)n1 72477926 FLOMFFMBHIWSHD-SFHVURJKSA-N 337.467 3.624 0 50 EHAA COc1cc2c(cc1CN(C)Cc1csc(C(C)C)n1)OCCO2 77422490 SZFFSFTVGRAPGI-UHFFFAOYSA-N 348.468 3.678 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)NCCC[C@H]3CCOC3)c2c1 77472342 LABYNCIKZHTUKR-INIZCTEOSA-N 326.440 3.652 0 50 EHAA CCN1CCC(CC(=O)N[C@@H](c2ccccc2)c2ccco2)CC1 95373321 ARMFLQJBYBAQMD-FQEVSTJZSA-N 326.440 3.607 0 50 EHAA Cn1ccnc1C[C@@H]1CCCN(C(=O)Nc2ccccc2Cl)C1 151528163 BULXOTRYQPJDCM-ZDUSSCGKSA-N 332.835 3.560 0 50 EHAA CC1CCN(C2CCC(NC(=O)N3Cc4ccccc4C3)CC2)CC1 152774373 CHNSVDNXFPVHED-UHFFFAOYSA-N 341.499 3.755 0 50 EHAA O=C(C1CCCC1)N1CC[C@H](N[C@H](c2ccccc2)c2ccncc2)C1 170070148 BTZLNNULIIMHLU-LEWJYISDSA-N 349.478 3.552 0 50 EHAA COc1cccc2[nH]cc(CC(=O)Nc3cccc(-c4cn[nH]c4)c3)c12 170592952 BKOGHSAZEUFCGJ-UHFFFAOYSA-N 346.390 3.748 0 50 EHAA O=C(NCCC[C@@H]1CCCCO1)Nc1ccc(-c2ncco2)cc1 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337.408 3.732 0 50 EHAA CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc([C@@H]3C[C@H]3C)o2)cn1 328655223 YEOKSYBJTUIDCW-UEILYKACSA-N 329.444 3.629 0 50 EHAA Cc1c(Cl)cc(F)c(NC(=O)N[C@@H](C)c2cnn(C)c2)c1F 341788415 DSKLLJFZUTWEDB-QMMMGPOBSA-N 328.750 3.543 0 50 EHAA CCc1cc(Cl)ccc1NC(=O)N(CCCO)Cc1cccnc1 426379728 LYWSHQKHABNALN-UHFFFAOYSA-N 347.846 3.714 0 50 EHAA O=C(NCC[C@H](c1ccccc1)c1ccco1)c1cc(C(F)F)[nH]n1 426662400 WNIORIMURQTRFS-CYBMUJFWSA-N 345.349 3.892 0 50 EHAA COc1ccccc1[C@@H](CN[C@H]1COC2(CCC2)C1)N1CCCCC1 657846763 RVZXLMCQVNNNEU-IEBWSBKVSA-N 344.499 3.523 0 50 EHAA OCCCn1nc(Cc2cccs2)nc1-c1ccccc1Cl 670466074 SLDGMZJBDXBRQM-UHFFFAOYSA-N 333.844 3.633 0 50 EHAA CC(=O)Nc1ccc2nc(CN(C)CCC[C@H]3CCCO3)ccc2c1 823709306 VXWVTKDZTFFFHV-IBGZPJMESA-N 341.455 3.584 0 50 EHAA Cc1n[nH]c(C)c1CC(=O)NCC[C@H](c1ccccc1)c1ccco1 827847799 VLMKWRJRKSNTLZ-QGZVFWFLSA-N 337.423 3.500 0 50 EHAA O=C(Nc1cncc(Cl)c1)N1CCC2(CC1)OCc1ccccc12 932117692 WKIIEKVASRBHFE-UHFFFAOYSA-N 343.814 3.788 0 50 EHAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)c2oc(C)nc2C)c1 952987744 MXCTVPBGKZHBGR-UHFFFAOYSA-N 341.411 3.981 0 50 EHAA CC(=O)c1cc(CN2CCCC[C@H]2CCc2cccc(O)c2)n(C)c1 1506420417 DVEMXRDGISKFBL-IBGZPJMESA-N 340.467 3.921 0 50 EHAA O=C(O)c1cnc(CN(Cc2ccccc2)CC2CCCCC2)cn1 1772703575 GWNPGBCILAMEIK-UHFFFAOYSA-N 339.439 3.757 0 50 EHAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)C1(c2ccc(Cl)cc2)CC1 1857671193 PGXTXSQHCDDTRK-HDMKZQKVSA-N 347.842 3.616 0 50 EHAA Cc1ccc(-c2ccnc(N[C@@H]3CCCc4c3c(C)nn4C)n2)c(C)n1 1857681836 OVSPDPAGMTVMTG-QGZVFWFLSA-N 348.454 3.687 0 50 EHAA O=C(CCCc1ccncc1)OCCOc1ccnc2ccccc12 2325792595 WJPYNRZWEDLIGV-UHFFFAOYSA-N 336.391 3.575 0 50 EHAA N[C@H]1CC[C@@H](c2nc(-c3cccc(F)c3)nn2CC(F)(F)F)CC1 2356145188 FPXCKRHOKSTJJR-GSJFWJNXSA-N 342.340 3.631 0 50 EHAA Ic1ccc2ncnc(Nc3ccccc3)c2c1 131519 GASBYYVOUWGWTB-UHFFFAOYSA-N 347.159 3.978 0 50 EHAA COc1cc(CN2CCC(Cc3ccccc3)CC2)cc(OC)c1O 240780 IQSBMRQBCLMFDP-UHFFFAOYSA-N 341.451 3.864 0 50 EHAA COc1ccc(CC(=O)NC(=S)Nc2cccc(Cl)c2C)cc1 358888 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3.890 0 50 EHAA O=C(N[C@@H]1CCCc2sccc21)N1CCO[C@@H](c2ccco2)C1 136587811 CLMATFVEDSTRMN-UKRRQHHQSA-N 332.425 3.502 0 50 EHAA Cc1cccc(-n2cc(-c3ccnc(NC[C@H]4CCCCO4)n3)cn2)c1 23399609 YPNTXTACTXRELK-GOSISDBHSA-N 349.438 3.619 0 50 EHAA CCCn1nccc1NC(=O)c1cc(-c2cccc(Cl)c2)no1 122374006 NRTVBBPGXQCHFS-UHFFFAOYSA-N 330.775 3.854 0 50 EHAA Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)c3cc[nH]n3)cc12 71715189 MBTVWEWGTPDMHY-UHFFFAOYSA-N 348.381 3.936 0 50 EHAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)CCO2 72454365 HISZGCBTAXDWIL-UHFFFAOYSA-N 334.375 3.549 0 50 EHAA CN(Cc1ccc2ncccc2c1)C(=O)CCc1nc2ccccc2[nH]1 216217741 JXFGGWFUUHBXQM-UHFFFAOYSA-N 344.418 3.702 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 154989666 NKNPXVSYYPTAOK-LRDDRELGSA-N 341.455 3.939 0 50 EHAA O=C(Nc1ccc(-c2ccccc2)cn1)c1cnn(CC(F)(F)F)c1 240454719 FYHDNXNQBSJYDG-UHFFFAOYSA-N 346.312 3.760 0 50 EHAA CN(Cc1cccc(-n2cccn2)c1)C(=O)CCc1cccs1 77424848 PXWCWACLUIQAAE-UHFFFAOYSA-N 325.437 3.525 0 50 EHAA CC(C)c1nnc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)s1 283534759 UAAIEHYDBPPDNQ-NSHDSACASA-N 343.374 3.565 0 50 EHAA Cc1cc([C@@H]2CCCN2C(=O)NCCSc2ccccc2)no1 43862201 IKTJSUMULRIKBC-INIZCTEOSA-N 331.441 3.622 0 50 EHAA CC(C)c1scnc1NC(=O)Cc1csc(-c2ccccn2)n1 288986179 YBIPWWOTMOGOIB-UHFFFAOYSA-N 344.465 3.966 0 50 EHAA CC(C)N(CC(F)(F)F)C(=O)c1cccc(-c2c[nH]ccc2=N)c1 426506860 TWROLOIWFPIUSJ-UHFFFAOYSA-N 337.345 3.574 0 50 EHAA O=C(c1ccccc1Cl)N1CCCN(c2ccc(F)cc2)CC1 82107697 YCGSWMBQNPLUOL-UHFFFAOYSA-N 332.806 3.832 0 50 EHAA CC[C@@H](NC(=O)c1cccc(-c2ccncc2C)c1)c1nc(C)no1 426399169 FZHSIPQGLNOMBN-QGZVFWFLSA-N 336.395 3.630 0 50 EHAA CCSc1ccc(C(=O)N2CCC(c3nccn3C)CC2)s1 95505539 DIWUVEBKXOOSLE-UHFFFAOYSA-N 335.498 3.613 0 50 EHAA CC(C)c1cc(CN(C)C(=O)c2cc3cc(F)ccc3n2C)no1 426477711 JRYCJJKGEVQTAO-UHFFFAOYSA-N 329.375 3.701 0 50 EHAA Cc1ccc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1 91574413 VXRXJQBOBYVFGK-UHFFFAOYSA-N 326.484 3.610 0 50 EHAA Cc1cc([C@@H]2CCCCN2C(=O)Nc2cc3c(cc2C)OCO3)no1 95501204 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O=C1C[C@H](c2ccccc2)Cc2nc3nc(-c4ccccc4)nn3cc21 12409325 MDIWXLMPFOJMRV-MRXNPFEDSA-N 340.386 3.704 0 50 EHAA Cc1cnnn1-c1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 16651002 KSPVOIZOAZAUMQ-CYBMUJFWSA-N 340.814 3.720 0 50 EHAA Cc1ccc(F)cc1C1(c2noc([C@H]3C[C@@H]4CC(=O)[C@H]3C4)n2)CC1 1857532534 WRJDNRSEEBPKTP-XBFCOCLRSA-N 326.371 3.680 0 50 EHAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1cccc(OC(F)(F)F)c1 1857676537 PLYKGDNUXRAUAE-IMJJTQAJSA-N 329.362 3.711 0 50 EHAA O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)c1cc[nH]c1C1CCC1 813545194 YDENKBPIFOIFDT-OAHLLOKOSA-N 336.794 3.538 0 50 EHAA O=C(Nc1cncc(Cl)c1)N1CCCO[C@@H](c2ccccc2)C1 932114517 RTBNXAAFHYUAPX-MRXNPFEDSA-N 331.803 3.731 0 50 EHAA Cc1cc(CN2CCC(Cc3ccccc3C(=O)O)CC2)sn1 1875270630 SLIMJOIYWZPKCZ-UHFFFAOYSA-N 330.453 3.604 0 50 EHAA CC(C)(C)OC(=O)N1Cc2ccc(CN[C@@H]3CCCOCC3)cc2C1 310822958 HADSDHFREMIKGN-GOSISDBHSA-N 346.471 3.596 0 50 EHAA C[C@@H](NCC1(c2ccc3c(c2)OCO3)CC1)c1ccc2n[nH]cc2c1 2325859537 AGJJGKYUIRYYLE-CYBMUJFWSA-N 335.407 3.674 0 50 EHAA C[C@H]1CN(Cc2ccccc2)CCN(c2nccc3cccnc23)C1 2325860550 LCOCEXQCEFGMMZ-KRWDZBQOSA-N 332.451 3.588 0 50 EHAA N[C@@H]1CCCc2ccc(C(=O)NCC[C@@H]3CCc4ccccc43)cc21 2325864591 SWCCHSTYZWIOEX-LAUBAEHRSA-N 334.463 3.873 0 50 EHAA OCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 176731 CZXYTEYPIOIKOG-UHFFFAOYSA-N 329.197 3.794 0 50 EHAA O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccc(F)c1 465717 RYJBPOCJNPNZCL-UHFFFAOYSA-N 343.427 3.553 0 50 EHAA CC(C)Sc1ccccc1Nc1nccc(N2CCC[C@@H](O)C2)n1 2356145583 RDVPXEODFXWIEL-CQSZACIVSA-N 344.484 3.682 0 50 EHAA CCc1ccc([C@@H]2C[C@H](c3ccccc3OC)n3nc(N)nc3N2)cc1 2602556 PZZXIRBGXSTGKJ-DLBZAZTESA-N 349.438 3.578 0 50 EHAA CCN(C[C@@H](O)COCc1ccc(Cl)cc1)C1CCCCC1 3277107 UDGVNVUFJGOZDT-GOSISDBHSA-N 325.880 3.872 0 50 EHAA O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1OC(F)F 3465765 JUOHBCAOQVOZPI-UHFFFAOYSA-N 349.362 3.895 0 50 EHAA COc1ccccc1NC(=O)CN1CCC(Cc2ccccc2)CC1 6741528 KNNPWIVBSVFOBE-UHFFFAOYSA-N 338.451 3.588 0 50 EHAA COc1cc(Cn2nc(-c3cccs3)c3ccccc3c2=O)ccn1 342684026 AKLREUPJPNPYRC-UHFFFAOYSA-N 349.415 3.577 0 50 EHAA COc1ccccc1NC(=S)NCCc1c[nH]c2ccccc12 8829727 IGCCNGTXITUOTL-UHFFFAOYSA-N 325.437 3.706 0 50 EHAA CNC(=S)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1ccccc1 225496159 DYDCMVZXFXRJTQ-MRXNPFEDSA-N 329.856 3.995 0 50 EHAA Cc1cnc(N2CCC[C@@H](c3ccccc3)CC2)nc1-c1cnn(C)c1 63832176 RGNPGSRPHDNXSX-GOSISDBHSA-N 347.466 3.960 0 50 EHAA CCCn1cnc(NC(=O)c2ccc([C@H]3CCCN3C(C)C)s2)n1 23619346 GYLAYTBFHCJJNM-CYBMUJFWSA-N 347.488 3.547 0 50 EHAA CC[S@](=O)[C@@H]1CCC[C@H](N[C@H]2CCC[C@H](C(F)(F)F)C2)C1 249207565 WVPMWODPKGAPPX-INWHNSBXSA-N 325.440 3.777 0 50 EHAA CC(C)c1ccccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1F 20252003 HTMVPEGYJMVSII-CYBMUJFWSA-N 328.387 3.706 0 50 EHAA CO[C@H](c1ccc(F)cc1)c1noc([C@@H](C)N2[C@@H](C)CC[C@H]2C)n1 252551883 UJFADMNCVWDAQU-OQMKEHIESA-N 333.407 3.878 0 50 EHAA CC[C@H]1CN(Cc2c[nH]nc2-c2ccc(C)c(C)c2)CCN1C(C)C 72421553 DMQQWASBKKNCKB-FQEVSTJZSA-N 340.515 3.998 0 50 EHAA COc1ccc([C@@H](C)NC2CCN(c3ccccn3)CC2)cc1F 121360305 FWQLGLGEIMBASE-CQSZACIVSA-N 329.419 3.549 0 50 EHAA CC(C)n1cc(CN(C)C(=O)c2cc3ccc(Cl)cc3n2C)cn1 216444367 NRTMDHJSMCOXGQ-UHFFFAOYSA-N 344.846 3.881 0 50 EHAA O=C(Cc1ccc(O)c(F)c1)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 450072637 IUYGIDQHHLCQHO-NWDGAFQWSA-N 333.325 3.559 0 50 EHAA CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)c2c(C)coc2C)CC1 375046567 LLRSBZWJLPEDQK-GOSISDBHSA-N 346.471 3.540 0 50 EHAA Cc1nnc([C@H](C)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 126423183 TWAMYWKSMZHBCE-CABZTGNLSA-N 342.226 3.899 0 50 EHAA O=C(/N=c1\[nH]c2ccccc2n1CCc1ccccc1)c1ccccc1 38192567 CDUDZZGLFOFINU-UHFFFAOYSA-N 341.414 3.953 0 50 EHAA in-vitro Cc1nccc(C2CCN(Cc3c(Cl)cncc3Cl)CC2)n1 216069345 LUZSACSWCYLVAZ-UHFFFAOYSA-N 337.254 3.866 0 50 EHAA O=C(Nc1ccccc1-c1ccccc1)N1CCCn2cncc2C1 72150415 ZVALOKCWZOTODD-UHFFFAOYSA-N 332.407 3.988 0 50 EHAA Cc1c(CCn2ccnc2[C@@H]2CCOC2)c2cccc3c2n1CCC3 71315030 XVIKZLPLOZSBIM-QGZVFWFLSA-N 335.451 3.839 0 50 EHAA COc1cc(C)c([C@@H](C)Nc2cnn([C@H]3CCOC3)c2C)cc1C 453346757 OTVVJMRIWGHCCN-ZBFHGGJFSA-N 329.444 3.951 0 50 EHAA Cc1ccc2nc([C@@H](NC(=O)c3cnn(C(C)C)c3)C(C)C)[nH]c2c1 77457299 HSKNLUNBEXYVOM-KRWDZBQOSA-N 339.443 3.776 0 50 EHAA FC(F)(F)c1ccnc(Sc2nnnn2C2CCCCC2)c1 241965760 UVJQPIBIXMCCQQ-UHFFFAOYSA-N 329.351 3.743 0 50 EHAA COc1cccc([C@@H](N[C@@H](C)c2nccnc2C)c2ccccn2)c1 242302320 YRKWUEYPRHLTBV-MGPUTAFESA-N 334.423 3.629 0 50 EHAA COc1cccc(F)c1[C@H](C)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 176018637 DTFRBFYSRJGOTI-GXTWGEPZSA-N 346.406 3.555 0 50 EHAA Cc1ccc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c(C)n1 176709233 MTLKZTYCNSDHMH-MJGOQNOKSA-N 339.439 3.988 0 50 EHAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 43721050 UUOHXXXJRQGPLC-XORBTJTQSA-N 332.484 3.918 0 50 EHAA Cc1cnc([C@H](C)NC(=O)NC[C@H]2CCO[C@H]2c2ccccc2)s1 245289565 CRWNEQXARXNXEP-IMJJTQAJSA-N 345.468 3.590 0 50 EHAA O=C(c1ccnc(-c2ccc(-n3cccn3)cc2)c1)N1CCCCC1 97742778 QDCBGUZHEBFSTK-UHFFFAOYSA-N 332.407 3.560 0 50 EHAA COC(=O)/C=C/c1c(Br)cccc1OC(F)(F)F 97757276 DJGXQDHKLXYCKA-AATRIKPKSA-N 325.080 3.534 0 50 EHAA Cc1nc(C2CC2)ncc1C(=O)N1CCC[C@](C)(c2ccccc2)C1 91650526 AWHNJKDOZBHNAP-NRFANRHFSA-N 335.451 3.856 0 50 EHAA Cc1nc(N2CCC[C@@H](c3ccc(Cl)cc3)C2)c2cnn(C)c2n1 95361784 AMMGNSHEYZORMX-CQSZACIVSA-N 341.846 3.709 0 50 EHAA C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@H]3CC[C@]12C 248378470 JPPQYWISPXWYPP-YYHHWPJFSA-N 336.472 3.660 0 50 EHAA C[C@@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1nc2ccccc2n1C(F)F 295151346 JQJQZOLOTVRLET-VOAKCMCISA-N 331.366 3.821 0 50 EHAA CC(F)(F)CCCNC(=O)Cc1cccc(OCC(F)(F)F)c1 295454505 GRKSIUGBURKIPZ-UHFFFAOYSA-N 339.304 3.722 0 50 EHAA Cc1ncc(C(=O)NC(C)(C)c2ccccc2Br)c(C)n1 182243555 XHEAPXMJSBFATJ-UHFFFAOYSA-N 348.244 3.521 0 50 EHAA Cn1c(C(C)(C)NC(=O)Nc2c(F)cccc2F)nc2ccccc21 183918148 DJWSAVBPMFOIAO-UHFFFAOYSA-N 344.365 3.908 0 50 EHAA CCOC(=O)C(C)(C)Oc1cccc2c1[S@](=O)c1ccccc1-2 252428281 WPSIJGKKLOCOCZ-HSZRJFAPSA-N 330.405 3.554 0 50 EHAA CCC[C@@H](NC(=O)N(C)Cc1cccc(SC)c1)c1nccn1C 534659603 GBTKDHRKEITXOF-MRXNPFEDSA-N 346.500 3.825 0 50 EHAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(F)c(Cl)c1)C2 1565531024 OQOGESXQZATEHJ-JSGCOSHPSA-N 339.842 3.817 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C1 269285196 SBFMMXKIVZUZAG-DRABBMOASA-N 341.282 3.683 0 50 EHAA CC(=O)Nc1ccc(NC(=O)[C@@](C)(CC(=O)O)C2CCCCC2)cc1 169975452 AFHZWOPWIWMWOR-IBGZPJMESA-N 346.427 3.645 0 50 EHAA C[C@H]1C[C@@H](NC(=O)NCC(C)(C)c2cccc(Cl)c2F)CCO1 274413295 OZUVIRFNXHLYLH-RYUDHWBXSA-N 342.842 3.623 0 50 EHAA CC(C)CCn1ccc(NC(=O)N2CCC(c3ccncc3)CC2)n1 191917103 ZKZRNOXBWYZQIX-UHFFFAOYSA-N 341.459 3.736 0 50 EHAA O=C1N[C@@]2(Nc3ccccc31)c1ccccc1C(=O)[C@@H]2c1ccccc1 5331995 SRDUOCKZHGTVPM-UGKGYDQZSA-N 340.382 3.675 0 50 EHAA COc1ccc(F)c(CN2CC[C@]3(CCCN(CC4CCC4)C3)C2)c1 11998138 AYZPZOJESPSTGE-NRFANRHFSA-N 346.490 3.922 0 50 EHAA CCNc1ncnc2sc(C(=O)N[C@H](C)c3ccco3)c(C)c12 12134348 YIXSFGAAAUYFJP-SNVBAGLBSA-N 330.413 3.516 0 50 EHAA O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccccc1 13680409 YZEPQBJQUTXTHX-UHFFFAOYSA-N 330.236 3.613 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)nn1C 15074685 PEUDFGUVUMCHDL-SFHVURJKSA-N 340.471 3.569 0 50 EHAA COc1ccc(Nc2ncccc2C(=O)NCc2ccccc2)cc1 1340530 XNWVMEZVMAUDEB-UHFFFAOYSA-N 333.391 3.764 0 50 EHAA Cc1nnccc1NC(=O)N1CC=C(c2cccc(Cl)c2)CC1 432423943 HTNFOMUGROUGOF-UHFFFAOYSA-N 328.803 3.760 0 50 EHAA CC(=O)Nc1ccccc1-c1noc(-c2coc(Br)c2)n1 350460520 YHKNNXHEXHNHCK-UHFFFAOYSA-N 348.156 3.718 0 50 EHAA CCCN1CCC(NC(=O)N(CC)Cc2ccc3[nH]ccc3c2)CC1 252538938 NJWHVILNAMHGKB-UHFFFAOYSA-N 342.487 3.574 0 50 EHAA CCS(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 267067705 QIYAMSHPHTYISF-HNNXBMFYSA-N 348.468 3.952 0 50 EHAA CCc1nc(C(C)C)ccc1CN1CCC[C@@H](Cc2nc(C)no2)C1 933570507 QDZCDEVITZWCCW-INIZCTEOSA-N 342.487 3.914 0 50 EHAA CNCc1cc(-c2cc(Cl)cc(C)c2OC2CCNCC2)co1 1875330003 OFRAJFRORWGWIP-UHFFFAOYSA-N 334.847 3.759 0 50 EHAA Cc1cnccc1[C@H](C)C(=O)N1CCC[C@H]1CC(=O)c1ccccc1 1875307141 URYLKESSVQVFCY-WMZOPIPTSA-N 336.435 3.758 0 50 EHAA Cn1ncc(C2CC2)c1CNC(=O)Nc1ccc(F)c(C2CC2)c1 888102294 KABIWEIYTRVBJL-UHFFFAOYSA-N 328.391 3.636 0 50 EHAA Cc1ccc2[nH]c(-c3nc(-c4ccnc(N)c4)no3)c(Cl)c2c1 1775986977 DBJYPSLELAFGER-UHFFFAOYSA-N 325.759 3.824 0 50 EHAA Cc1n[nH]c(C)c1CNc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 386471765 PAQCNZLYZSVAKV-UHFFFAOYSA-N 342.443 3.889 0 50 EHAA CSCCCN1CCC2(CCc3c(O)nc(C(C)(C)C)nc32)CC1 2100543184 OJUYGMPBTKQNMX-UHFFFAOYSA-N 349.544 3.513 0 50 EHAA O=C(NCCCc1cccnc1)c1c(Cl)cccc1OCC1CC1 2325781483 UJESBNQVQQKZTB-UHFFFAOYSA-N 344.842 3.886 0 50 EHAA CC1(C)CCN(Cc2ccc(F)c(Br)c2)CC(C)(C)N1 2325870197 MOZFABFSLSZAPX-UHFFFAOYSA-N 343.284 3.941 0 50 EHAA O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccccc1 249020 ZAKZCAFNRLCCOR-UHFFFAOYSA-N 339.174 3.798 0 50 EHAA O=C1C[C@@H](c2ccc(Br)cc2)c2cc3c(cc2N1)OCO3 427712 RVVYSMQOHWPESO-NSHDSACASA-N 346.180 3.652 0 50 EHAA COc1cccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 450669 GDXGHVWFDPGHSN-UHFFFAOYSA-N 328.437 3.945 0 50 EHAA CCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 528512 UDCRKLGIJJVBRP-UHFFFAOYSA-N 339.892 3.943 0 50 EHAA CC[C@H](Nc1nccc(-c2ccc(N(C)C)cc2)n1)c1ccnn1C 2356153183 VTDGHTUGQAAYGW-INIZCTEOSA-N 336.443 3.506 0 50 EHAA CCCCO[C@H](NC(=O)c1ccccc1O)C(Cl)(Cl)Cl 2582054 NHTFLYKPEGXOAN-LBPRGKRZSA-N 340.634 3.635 0 50 EHAA in-vitro Cc1ccc(OCCSc2nc3ccccc3n2CCO)cc1 2918644 HEJCBJQFZCZHIW-UHFFFAOYSA-N 328.437 3.508 0 50 EHAA CCN(Cc1ccncc1)C(=O)c1ccc([C@H](C)N2CCCCC2)o1 55359133 VVJLLPFIAADCLV-INIZCTEOSA-N 341.455 3.884 0 50 EHAA Fc1ccccc1-c1noc(-c2ccc(N[C@@H]3CCSC3)nc2)n1 20543135 XLSKKUJBJZUQMT-GFCCVEGCSA-N 342.399 3.855 0 50 EHAA CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@@H](O)c1ccccc1 55392964 HLMRDWJSYRFPRG-IBGZPJMESA-N 340.423 3.796 0 50 EHAA COc1ccccc1Oc1ncccc1CNc1ncnc2c1CCC2 67841342 CIMAIHWZMAOAKG-UHFFFAOYSA-N 348.406 3.773 0 50 EHAA OCCCN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67772921 UEZWLKBYZLYUKH-UHFFFAOYSA-N 334.419 3.749 0 50 EHAA COc1cc(OC)c(C(=O)CC(=O)Nc2ccccc2)cc1Cl 63772500 RPZNXWNYCZZKSC-UHFFFAOYSA-N 333.771 3.569 0 50 EHAA O=C(Nc1cccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1)c1ccoc1 252486332 IORNRIVLRNNPHM-KZNAEPCWSA-N 338.407 3.901 0 50 EHAA CC[C@@H](c1ccccc1OC)N(C)c1ncncc1Br 253427037 BYUIZEMMDIJVAZ-ZDUSSCGKSA-N 336.233 3.835 0 50 EHAA Cc1cc([C@H](C)NC(=O)c2cnc(-c3ncccn3)s2)c(C)s1 121670836 KQZNIJRRPOFHFO-JTQLQIEISA-N 344.465 3.769 0 50 EHAA CNc1nc(CN2CCCC[C@H]2c2ccc(CN(C)C)cc2)cs1 72150727 MAKLXCHQABVMAU-SFHVURJKSA-N 344.528 3.974 0 50 EHAA Cc1cnn(CCCN2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1 72150992 HXUWWOFUZYGIHO-SFHVURJKSA-N 341.434 3.824 0 50 EHAA COc1ccc(CN(C)Cc2cc(-c3ccncc3)no2)cc1F 72152489 JZHFWLUWTXMXSO-UHFFFAOYSA-N 327.359 3.516 0 50 EHAA Cn1cc(CNc2nnc(-c3ccncc3)o2)c(C2CCCCC2)n1 154782713 DMCBCCZKEIZQNJ-UHFFFAOYSA-N 338.415 3.525 0 50 EHAA Cc1cc(Cl)c2oc(C(=O)N(C)CCn3ccnc3C)c(C)c2c1 77564253 ARVHVCFWDRUOAG-UHFFFAOYSA-N 345.830 3.980 0 50 EHAA O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc2ncnn12 359795444 NPVRSUZHMDQZOC-UHFFFAOYSA-N 328.331 3.881 0 50 EHAA C[C@@H](Sc1ccccn1)C(=O)NCc1ccc2c(c1)CC(C)(C)O2 219898887 ONCZTHINAFFOMQ-CYBMUJFWSA-N 342.464 3.592 0 50 EHAA c1cc(CN2CCCC[C@H]2CN2CCCC2)sc1CN1CCCC1 215778829 FDPQLIZBNXCXDK-SFHVURJKSA-N 347.572 3.794 0 50 EHAA c1ccc2nc(-c3nccn3Cc3cn4ccsc4n3)ccc2c1 71752065 IPHAEWQUSVOTPB-UHFFFAOYSA-N 331.404 3.856 0 50 EHAA CC(C)[C@H]1CN(C(=O)Nc2ccc(OC3CCCC3)nc2)CCCO1 333247684 RFNBKMPTACDFBQ-QGZVFWFLSA-N 347.459 3.682 0 50 EHAA O=C(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)N1[C@H]2CC[C@H]1CC(O)C2 333545523 OZOFAAYERPQKOF-CXOVXGEYSA-N 347.484 3.566 0 50 EHAA Cc1cc(-c2cccc3ccnn23)ccc1NC(=O)c1cccnc1 72173947 XEFOJOANHRMXCI-UHFFFAOYSA-N 328.375 3.957 0 50 EHAA CC(C)c1noc([C@@H]2CCCN2Cc2ccc3nsnc3c2)n1 77504924 LLRDEPQTEQSVSZ-AWEZNQCLSA-N 329.429 3.535 0 50 EHAA C[C@]1(CN)CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)C1 261899199 WGXMXEWDACTHNJ-LJQANCHMSA-N 332.394 3.928 0 50 EHAA Fc1cnccc1CN[C@H]1CCOc2c(Br)cccc21 449305733 HREQGADFOPVTQT-AWEZNQCLSA-N 337.192 3.597 0 50 EHAA Cc1c(-c2ccc(F)cc2)[nH]c2ccc(CNC(=O)c3cc[nH]n3)cc12 71663015 UOWJOGYKEPAJDA-UHFFFAOYSA-N 348.381 3.936 0 50 EHAA COc1ccc(C2(Cn3ccnc3-c3nccn3C)CCCC2)cc1 71779941 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COc1ccc(/C=C(/C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 859120 SWUHAJHAXLJFDF-XPFMCRKWSA-N 337.419 3.531 0 50 EHAA COc1ccc(-c2cccc(-c3nc(C)nn3[C@H]3CCOC3)c2)cc1 1772806143 ZISUEZDDHGQFPG-SFHVURJKSA-N 335.407 3.891 0 50 EHAA CCCCN[C@H]1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1 12203659 VNBBTINCDACJLB-INIZCTEOSA-N 330.451 3.826 0 50 EHAA CCCCc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1 14223823 VYMWGUXMFMJSRK-UHFFFAOYSA-N 346.452 3.788 0 50 EHAA CCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2CC 16651581 IZHHFLMDIRUMFB-UHFFFAOYSA-N 328.460 3.637 0 50 EHAA Cc1cc(C(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)oc1C 164957146 FDQRMWNECDNPPL-KRWDZBQOSA-N 333.403 3.867 0 50 EHAA COc1cc(C)ccc1OCCN1CCC2(C=C(C)CCO2)CC1 1704315358 AUEBYOQJZNAJEM-UHFFFAOYSA-N 331.456 3.584 0 50 EHAA Cc1cnc2c(cnn2CC(=O)N(C(C)C)[C@@H](C)c2ccccc2)c1 905738462 HRXBKEAYSYOEHZ-INIZCTEOSA-N 336.439 3.738 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)c2ccccc2CCC(=O)O)cc1F 909415994 TVNSUSYEWNMQDI-CYBMUJFWSA-N 329.371 3.642 0 50 EHAA Cc1cccc2oc(C(=O)N3Cc4cnn(C)c4CC(C)(C)C3)cc12 826800077 BIFLDVCMWKAYEW-UHFFFAOYSA-N 337.423 3.699 0 50 EHAA O=C(Nc1cnn(C2CCC2)c1)Nc1ncc(C2CCOCC2)s1 931629475 QHYZLKNFUVUAKR-UHFFFAOYSA-N 347.444 3.603 0 50 EHAA C[C@H](NC[C@@](C)(O)c1ccsc1)c1cc(-c2ccccc2)no1 863982693 YSZNJQHONSPHND-SCLBCKFNSA-N 328.437 3.961 0 50 EHAA S=C(NCCc1ccccn1)Nc1ccc(Nc2ccccc2)cn1 1875309434 RPRMOZUDCNAUDZ-UHFFFAOYSA-N 349.463 3.749 0 50 EHAA CC[C@H](C)[C@H](NC(C)=O)c1nc(-c2ccc(SC)s2)no1 1775999704 UNADVUNPSGCBAW-UFBFGSQYSA-N 325.459 3.743 0 50 EHAA C[C@H](Oc1cccc(Cl)c1Cl)c1nc([C@@H](N)C2CC2)no1 2325705570 IJDHBWLQKGXFKD-MADCSZMMSA-N 328.199 3.926 0 50 EHAA Cn1cc(C(=O)OCCC2=CC[C@H]3C[C@@H]2C3(C)C)c([C@@H]2CCCO2)n1 2325865947 VMTVIIXMWLTBMB-XIRDDKMYSA-N 344.455 3.811 0 50 EHAA CCc1ccc(N[C@H]2CC(=O)N(c3ccccc3Cl)C2=O)cc1 101128835 OPHZDZDJRINIFE-HNNXBMFYSA-N 328.799 3.646 0 50 EHAA Cc1cc2c(N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@@H]3O)ncnc2s1 241693989 QJMSDTBEDKNACG-YUDUHTQSSA-N 331.485 3.766 0 50 EHAA CCNC(=O)N1CCc2ccc(NCc3cc(F)ccc3F)cc21 151720077 IEQJLCXREGORHA-UHFFFAOYSA-N 331.366 3.669 0 50 EHAA CC1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 257380 UDLRBHGQXATRNY-UHFFFAOYSA-N 325.250 3.510 0 50 EHAA O=C(Nc1nccs1)c1cccc(NC(=O)c2cccs2)c1 281838 PDXJWMUYJKHFHQ-UHFFFAOYSA-N 329.406 3.709 0 50 EHAA COC(=O)[C@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 2004884 RBNIGDFIUWJJEV-NSHDSACASA-N 335.762 3.687 0 50 EHAA COc1ccc([C@H]2C=C(c3ccc(F)cc3)NC(S)=N2)cc1OC 2483429 DLXNITKIRBLZLU-OAHLLOKOSA-N 344.411 3.814 0 50 EHAA COc1ccc(-c2nccn2C[C@@H](C)OC)cc1-c1ccc(F)cn1 2356146198 WIDWWWBWUNAKCQ-CYBMUJFWSA-N 341.386 3.795 0 50 EHAA CC(C)N1CCC[C@@]2(CCCN2Cc2ccc3ccn(C)c3c2)C1=O 2356152183 DESRKDFMDVHQOS-NRFANRHFSA-N 339.483 3.544 0 50 EHAA O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 4523508 XMJBBSPXYYWVOW-NXEZZACHSA-N 347.720 3.964 0 50 EHAA CCN(C(=O)CSc1nc(C)c2c(n1)CCCC2)c1ccccc1 4810691 ZWHPHMFMMDLWAO-UHFFFAOYSA-N 341.480 3.809 0 50 EHAA CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)cc1 4854796 VDVCBLYVQRCVSL-MRXNPFEDSA-N 334.391 3.577 0 50 EHAA CCO[C@@H](C)c1nc(Cc2nc(-c3nc(C)cs3)no2)cs1 225594278 MFBKFNKYIXTTJS-VIFPVBQESA-N 336.442 3.646 0 50 EHAA Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](n3nc(C)cc3C)C2)c1 247946251 WNYBIWVKWLLVAW-AABGKKOBSA-N 337.467 3.776 0 50 EHAA Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 247958750 NGIHOXKEIAEPBB-QPGZIWCOSA-N 338.373 3.963 0 50 EHAA C[C@H](CN(C)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1)c1nccs1 248460449 OIOFHWUSVALCFX-UGFHNGPFSA-N 333.432 3.583 0 50 EHAA CCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1cccc(F)c1 20402126 FITDAGZIJFBMGG-SFHVURJKSA-N 340.398 3.631 0 50 EHAA Cc1cccc(-c2c(-c3ccccc3)ncn2CC(=O)NC(C)(C)C)n1 65385483 GKQQEQLKKOTWHK-UHFFFAOYSA-N 348.450 3.835 0 50 EHAA Cc1ccsc1CN(C)C1CCN(C(=O)c2ccccc2)CC1 67805940 BZLZKFQHLBRZRF-UHFFFAOYSA-N 328.481 3.793 0 50 EHAA CC[C@H](Oc1ccccc1)c1nn2c(CN(CC)CC)nnc2s1 65364410 WHYUZULGNZSKAX-AWEZNQCLSA-N 345.472 3.558 0 50 EHAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(-c2ccccc2C)cc1 218863901 HGHAZZFLQGMPND-WOJBJXKFSA-N 339.435 3.586 0 50 EHAA Oc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 71928208 ZMMDBWUSCAYWMN-UHFFFAOYSA-N 336.357 3.733 0 50 EHAA CCn1cc([C@@H]2N=C(O)CC[C@H]2N[C@H]2CCC[C@H](C3CC3)C2)cn1 328635250 NETWSQKMOCQHBL-RMRDIRSESA-N 330.476 3.621 0 50 EHAA COc1ccc2c(c1)C[C@H](c1nc(Cc3ccccc3F)no1)CO2 32519365 BJYHDWLAWGFGLN-AWEZNQCLSA-N 340.354 3.527 0 50 EHAA CCc1cccc2c(C3CCN(CCN4CCCC4=O)CC3)c[nH]c12 124996645 YIXBANRJDNMWGR-UHFFFAOYSA-N 339.483 3.532 0 50 EHAA COc1ccccc1-c1ccc(NCc2cn3cc(C)ccc3n2)nn1 71746792 WZXRMBZGHUWDOE-UHFFFAOYSA-N 345.406 3.720 0 50 EHAA Cn1cc(CC(=O)N2CCC(c3ccncc3)CC2)c2ccccc21 77537175 DBGFNXAEWBTIHC-UHFFFAOYSA-N 333.435 3.522 0 50 EHAA COc1ccc2c(c1)C[C@@H](c1nc(-c3cccc(F)c3)no1)CO2 32593118 LCCVYOVTADAMLW-CYBMUJFWSA-N 326.327 3.603 0 50 EHAA C[C@H](NC[C@H]1CCC=CO1)[C@@H](OC1CCOCC1)c1ccccc1 241287503 LLZCFVYVWFMQID-PWIZWCRZSA-N 331.456 3.594 0 50 EHAA CSc1ncccc1C(=O)N1CCCC[C@@H]1CCc1ccccn1 219071493 MGCQIIKHCAPIMD-MRXNPFEDSA-N 341.480 3.826 0 50 EHAA O=C(O)c1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)cc1 340342515 JOHWKFKDJXVHLN-CQSZACIVSA-N 337.297 3.808 0 50 EHAA CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 17068626 JMMKABFHTLYLAD-HNNXBMFYSA-N 333.453 3.742 0 50 EHAA CC(C)Oc1cccc(C(=O)N2CCCC[C@@H]2c2nccs2)n1 179127618 IHZLWMWZRZDUQQ-CQSZACIVSA-N 331.441 3.693 0 50 EHAA Cc1nn(C)c2nc(N(Cc3ccccc3)C[C@H]3CCCO3)sc12 95527132 YGRUKRZRUIFPIG-OAHLLOKOSA-N 342.468 3.524 0 50 EHAA Cc1nc(C)c(Br)c(Br)c1Br 98213420 QCUFRRICNUMXQC-UHFFFAOYSA-N 343.844 3.986 0 50 EHAA CSCCCN1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91306206 NDJKUIBAFGMZOV-UHFFFAOYSA-N 346.540 3.644 0 50 EHAA CCN(CC)C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 91547581 DQCNKAYPOKMONS-GOSISDBHSA-N 340.471 3.918 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cccc(-c2ncccc2N)c1 426555389 DWIPLAXQSHVKBC-AWEZNQCLSA-N 349.438 3.504 0 50 EHAA CCc1nc([C@@H](C)NC(=O)Nc2cc3c(cc2C)OCO3)cs1 180119508 PAUTUFYMGLYBQA-SNVBAGLBSA-N 333.413 3.625 0 50 EHAA c1ccc(O[C@@H](CN2CCC3(CC2)OCCO3)c2ccccc2)cc1 96027161 YJLZPVREJZWXBF-FQEVSTJZSA-N 339.435 3.646 0 50 EHAA CSc1cccc(C)c1NC(=O)N1CCO[C@@H](c2nccs2)C1 185007634 QYTJEESAEOWNGX-GFCCVEGCSA-N 349.481 3.779 0 50 EHAA CCN(CC)Cc1ccc(C(=O)Nc2cc(F)cc(N(C)C)c2)cc1 1348372955 VKVRZEBPNNDDIV-UHFFFAOYSA-N 343.446 3.986 0 50 EHAA COc1ccc2cccc(CC(=O)N[C@@H]3CCO[C@H](C(C)C)C3)c2c1 408513774 PEVQVFFLPXVZKF-XLIONFOSSA-N 341.451 3.711 0 50 EHAA O=C1CCN(C(=O)c2ccc(F)c(Cl)c2F)c2ccccc2N1 186008853 ZFBXTPOSHXCEID-UHFFFAOYSA-N 336.725 3.607 0 50 EHAA O=C(CCc1ccc(O)nc1)NC1(c2ccc(Cl)cc2)CCCC1 278780556 VBZQHPUQWVADAK-UHFFFAOYSA-N 344.842 3.959 0 50 EHAA CC(=O)Nc1ccc(NC(=O)NCC=C(C)C)c(C(F)(F)F)c1 190685196 LQXCUYGTXCAPKS-UHFFFAOYSA-N 329.322 3.752 0 50 EHAA O=C(N[C@H]1CCCc2occc21)N1CCO[C@@H](c2ccc(F)cc2)C1 194049797 IEULKHCDOCLLLS-FUHWJXTLSA-N 344.386 3.579 0 50 EHAA COc1c(C)cnc(CN(C)C(=O)c2cc3c(F)cccc3[nH]2)c1C 195000608 VYDUQNAJERLFKK-UHFFFAOYSA-N 341.386 3.600 0 50 EHAA Cc1nccn1CC[C@H](NC1CSCCSC1)c1ccccc1 1506417083 GHENKYMWAPCINL-SFHVURJKSA-N 347.553 3.761 0 50 EHAA O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccsc1 11661635 ARVQPSWRNOVKIM-OAHLLOKOSA-N 341.411 3.880 0 50 EHAA Cc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 12298418 XQTYSIPQLKEUKK-OAQYLSRUSA-N 327.443 3.951 0 50 EHAA O=C(Nc1ccc(Br)cc1)C1C[C@@H]2CCC[C@H](C1)C2=O 16027774 HFSRQEYYGQKPTF-FOSCPWQOSA-N 336.229 3.783 0 50 EHAA O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)s1 16603234 RNFLKDBWQUBGPC-UHFFFAOYSA-N 334.872 3.796 0 50 EHAA CCCCOc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1Cl 16649531 DSHDIHHIOSOAGW-UHFFFAOYSA-N 342.848 3.569 0 50 EHAA COc1ccccc1CN1CCN(Cc2ccc(SC)cc2)CC1 19781714 XNRIQQMSPDGPEV-UHFFFAOYSA-N 342.508 3.735 0 50 EHAA O=C(O)C1CCN(Cc2nc(-c3cccc(Cl)c3)cs2)CC1 1857530042 SQQPGTQFBJHGSQ-UHFFFAOYSA-N 336.844 3.760 0 50 EHAA O=C1C[C@@H](n2ccnc2-c2ccncc2)CN1c1ccccc1Cl 1857728656 KWGCCKXOEWYTMK-CQSZACIVSA-N 338.798 3.577 0 50 EHAA COc1ccc2c(c1)CN([C@H](C)c1nc(Cc3ccccc3)no1)CC2 130279200 XSNYLEISCDFWJJ-OAHLLOKOSA-N 349.434 3.788 0 50 EHAA CCc1nc(C)c([C@@H](C)NCc2ccc(OC)c(NC(C)=O)c2)s1 131869862 MZJOUTMBYWJIFW-LLVKDONJSA-N 347.484 3.832 0 50 EHAA C[C@H](CSc1ccccc1)C(=O)N1CCc2cc(F)c(O)cc2C1 1875299254 FHFYRXLIKDBNTR-CYBMUJFWSA-N 345.439 3.844 0 50 EHAA COc1ccc(C2(NCc3cc(O)cc(Cl)c3)CCOCC2)cc1 892953738 HTUPEMREPKKRFE-UHFFFAOYSA-N 347.842 3.850 0 50 EHAA CCc1cc(N2CC[C@@H](c3ccc4cccnc4n3)C2)nc(CC)n1 895001121 XSACXTAFVGCFQD-OAHLLOKOSA-N 333.439 3.539 0 50 EHAA O[C@H]1C[C@H](CN[C@H](c2cc(F)c(Br)cc2F)C2CC2)C1 1775987631 KRLILKZIAOXMCE-KPCOEVGBSA-N 346.215 3.539 0 50 EHAA Cc1cc(C)nc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)c1 1775985411 RYQNOEWELZHBPY-IBGZPJMESA-N 347.422 3.601 0 50 EHAA C[C@H](NC(=O)Nc1cc(CN(C)C)ccn1)c1cccc2cccnc12 2325769554 XJHVDHOXNOXZTJ-AWEZNQCLSA-N 349.438 3.574 0 50 EHAA COc1cc(-c2noc(-c3cccc(C4=CCOCC4)c3)n2)cnc1C 2325798726 TWGUSFXIIDSAJO-UHFFFAOYSA-N 349.390 3.919 0 50 EHAA CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)nc1C 119093 PVXNYVZFVQKSPO-UHFFFAOYSA-N 339.804 3.926 0 50 EHAA Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccc(F)cc3)C2=O)c1 121719 ALFQRVDFCKSACZ-UHFFFAOYSA-N 330.746 3.570 0 50 EHAA O=S(=O)(c1ccccc1)n1cc(Br)c2ccccc21 158574 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COCCNC(=O)CCC1CCN(C[C@@H](C)CCC=C(C)C)CC1 15064249 YUPSMDLALAOUCX-SFHVURJKSA-N 338.536 3.624 0 50 EHAA Cc1ccc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 20725582 WVAXTNSGIRGLRR-VMPITWQZSA-N 348.490 3.785 0 50 EHAA O=C(c1ccccc1)c1cc(Br)c(Br)[nH]1 39340026 ZTJSJDHXCJVYCI-UHFFFAOYSA-N 328.991 3.771 0 50 EHAA CC(C)c1nn(-c2ccccc2)c2c1[C@@H](c1ccccn1)CC(=O)N2 65395142 PYNWSZJFHJGCJS-OAHLLOKOSA-N 332.407 3.865 0 50 EHAA COC(C)(C)C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(C)cc2)C1 71315441 MZLPPDNVNSFBHR-MRXNPFEDSA-N 341.455 3.516 0 50 EHAA CC(C)c1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](C)CC3=O)cc1 71754894 JDMAOWBITDWRTN-GFCCVEGCSA-N 338.407 3.516 0 50 EHAA Cc1cc(N[C@H](CCn2ccnc2C)c2ccccc2)n2nccc2n1 72421468 JJQRKRDTWCZRSU-GOSISDBHSA-N 346.438 3.786 0 50 EHAA CCC[C@H](NC(=O)c1oc2c(F)cccc2c1C)c1nccn1C 77406197 UPLQBVZPWXAADA-AWEZNQCLSA-N 329.375 3.885 0 50 EHAA CN(Cc1cccc2ncccc12)C(=O)c1ccccc1-n1cccn1 77470984 CYYSIEJEKZKDQC-UHFFFAOYSA-N 342.402 3.693 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(SC)cc2)C1 91678367 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3.937 0 50 EHAA Cn1ccc2cccc(NC(=O)N3CCO[C@H](c4ccsc4)C3)c21 190048683 UJCXWUGBCBUPLY-INIZCTEOSA-N 341.436 3.845 0 50 EHAA CC[C@]1(O)C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@H]1CC(C)C 212600125 TUNMGCULOKMBNJ-MMOPVJDHSA-N 347.499 3.810 0 50 EHAA O=c1[nH]c(-c2nc3ccccc3o2)nc2sc3c(c12)CCCS3 225517678 HZMHXIXGAAJURA-UHFFFAOYSA-N 341.417 3.831 0 50 EHAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 229512065 KAMCRIAJKYTOKQ-IAOVAPTHSA-N 337.847 3.588 0 50 EHAA CC[C@H](NC(=O)[C@@H](C)[C@@H](O)c1ccc(OC)cc1)c1cccs1 229872551 OPMPPOFIXKSNBT-YLQAJVPDSA-N 333.453 3.694 0 50 EHAA CC(C)c1nnc(CNC(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)s1 241846651 SMPBOMGOYGTICB-ZFWWWQNUSA-N 344.484 3.749 0 50 EHAA CCO[C@H](C(=O)Oc1ccc2c(c1)CCCC(=O)N2)c1ccccc1 271100682 XKHIFDUGPJYOIC-IBGZPJMESA-N 339.391 3.645 0 50 EHAA CC(C)c1cc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)n[nH]1 273610887 VTKRLUPZTJINAY-YJBOKZPZSA-N 345.418 3.665 0 50 EHAA CO[C@@H](C)c1nc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)cs1 275524209 BTMBLFNFFQQFGF-LRDDRELGSA-N 346.500 3.790 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(OC(F)(F)F)cc1 294215098 JRUIIGIQILYYHG-SNPRPXQTSA-N 343.345 3.803 0 50 EHAA Cc1nc(Cl)ccc1NC(=O)NCCCc1nc(C)c(C)s1 299794840 LBHFMNYXWTZDDI-UHFFFAOYSA-N 338.864 3.871 0 50 EHAA CC(C)c1cnc(N2CCCN(C(=O)c3ccsc3)CC2)s1 354073769 XUTJASQTQRVHNI-UHFFFAOYSA-N 335.498 3.681 0 50 EHAA Cc1cc(-c2ccc(C(=O)N[C@H](C)Cc3cc(C)[nH]n3)cc2)cc(C)n1 426359629 NBMOAIFXADOIRA-OAHLLOKOSA-N 348.450 3.758 0 50 EHAA CCSc1n[nH]c(-c2ccccc2C(=O)N(C(C)C)C(C)C)n1 426489428 WEJDHEDLNAELEZ-UHFFFAOYSA-N 332.473 3.843 0 50 EHAA COc1cccc2cc(C(=O)N3CCC4(CCC(O)CC4)CC3)oc12 650484620 OOEAPEYULFVYRB-UHFFFAOYSA-N 343.423 3.599 0 50 EHAA CCc1nc(C)c(-c2nc([C@@H](OC)c3cccc(OC)c3)no2)s1 665066564 BCHSJAPGOMRSCO-AWEZNQCLSA-N 345.424 3.808 0 50 EHAA C[C@H]1CC[C@@](C)(CNC(=O)Nc2cnn(C)c2C(F)F)C1(C)C 666458146 SNGQPHBDBVPBPC-QFYYESIMSA-N 328.407 3.942 0 50 EHAA CCn1ccnc(Nc2ccc(CC[C@H](O)c3ccccc3)cc2)c1=O 773225225 ICFBCALNTJSCKU-IBGZPJMESA-N 349.434 3.673 0 50 EHAA CNc1nc(C)ccc1C(=O)N1CCC(F)(c2ccccc2)CC1 907830037 OUCCJBKOGQXOMM-UHFFFAOYSA-N 327.403 3.533 0 50 EHAA CC(C)C(=O)Nc1ccc(NC(=O)c2cncc(F)c2)cc1Cl 952962461 BSKRPUIZJIYMGK-UHFFFAOYSA-N 335.766 3.721 0 50 EHAA CCNc1cc(C)ccc1NC(=O)c1ccc(CN2CCCC2)o1 1138190951 PICZQTCYYSAQEV-UHFFFAOYSA-N 327.428 3.868 0 50 EHAA CN1CCN(Cc2cncn2C2CCCCC2)[C@@H](c2ccccc2)C1 1506402432 YDCPPYBYLCEOAS-OAQYLSRUSA-N 338.499 3.877 0 50 EHAA Cc1nc(C)c(CN2CCCN(Cc3cccc(F)c3)CC2)s1 1529103380 AGUQVNVYSYZDCX-UHFFFAOYSA-N 333.476 3.607 0 50 EHAA COc1cc(-c2onc(N[C@@H]3C[C@@H]4CC[C@H]3C4)c2C(=O)O)ccc1F 1704307568 AHUZLCPZZGPYJZ-GBIKHYSHSA-N 346.358 3.788 0 50 EHAA Cc1nc(-c2cc(C(=O)N3CC=C(c4ccccc4)C3)n(C)c2)cs1 1875258222 FEADNILQJYWUQI-UHFFFAOYSA-N 349.459 3.996 0 50 EHAA CC(C)(C)c1cnn(-c2ccccc2OC[C@@H]2C[N@@]2CC2CC2)c1 1875385697 ZJMDAERMGSNMQD-HTAPYJJXSA-N 325.456 3.643 0 50 EHAA N[C@@H]1CCN(C(=O)c2cccc(-c3cscn3)c2)c2ccccc21 2325860052 VXUWNWOCFCHIQU-MRXNPFEDSA-N 335.432 3.860 0 50 EHAA CC1(C)CCC[C@@H](c2cccc(NCc3c[nH]c(=N)[nH]c3=N)c2)C1 2325872535 BVZCZASVOYBTMA-CQSZACIVSA-N 325.460 3.598 0 50 EHAA O=C(NC(=S)Nc1ccc(Br)cc1)c1cccs1 174160 ZHECYDFMBXSMGR-UHFFFAOYSA-N 341.255 3.637 0 50 EHAA CNC(=O)c1ccc(OC)cc1[C@@H](C(=O)C(C)(C)C)c1ccccc1 399021 WBEIIZBUVZLXDF-SFHVURJKSA-N 339.435 3.802 0 50 EHAA COc1ccc(-n2ncc3c(Nc4ccccc4OC)ncnc32)cc1 426364 GZXRISUELJSWFD-UHFFFAOYSA-N 347.378 3.576 0 50 EHAA Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(Br)cc1 435124 QTRSMHUVAPFRDQ-UHFFFAOYSA-N 334.169 3.708 0 50 EHAA CC[C@H](C)[C@H](N)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 2353703 ABQUFQQMQCPHOH-ZANVPECISA-N 339.848 3.744 0 50 EHAA CCCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 2817012 RKJQVBBARGLQMP-QINSGFPZSA-N 346.814 3.620 0 50 EHAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc(F)cc1 6697231 IVEZDNPHHIEIRK-UHFFFAOYSA-N 339.370 3.846 0 50 EHAA O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 6701132 VRJVPXJADBBSMN-UHFFFAOYSA-N 348.402 3.868 0 50 EHAA CCN(CC)CC(=O)Nc1cc(Cl)ccc1C(=O)c1ccccc1 225509521 FZZRCRAVVNGYPV-UHFFFAOYSA-N 344.842 3.851 0 50 EHAA O=C(CCCc1nc(-c2ccncc2)no1)Nc1ccccc1Cl 9699724 XQMJHFLCAZOIEL-UHFFFAOYSA-N 342.786 3.746 0 50 EHAA Cc1ccc(CNc2cccc(C(=O)N(C)Cc3cc(C)[nH]n3)c2)cc1 55369664 VVBUWXZWWMIVLO-UHFFFAOYSA-N 348.450 3.911 0 50 EHAA COc1ccccc1C(=O)NC[C@@H](c1ccccc1)N1CCCCC1 28292006 RUHJCNAAGSGSFP-IBGZPJMESA-N 338.451 3.652 0 50 EHAA C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2ccccc2)ns1 117614742 VDYFTGYZTVSCDM-XHDPSFHLSA-N 337.404 3.708 0 50 EHAA Cc1cc(C)cc(-c2c(-c3ccccc3)ncn2[C@H](C)c2nnn[nH]2)c1 67804570 ZJZAUMQPXASCBK-OAHLLOKOSA-N 344.422 3.956 0 50 EHAA COCc1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)o1 119815116 YXMQZOPOWGXLEO-UHFFFAOYSA-N 347.421 3.681 0 50 EHAA Cc1nc([C@@H]2CCCN2C(=O)c2ccnn2-c2ccccc2)cs1 253421137 QURREJWDFDROJJ-INIZCTEOSA-N 338.436 3.615 0 50 EHAA Cc1ccccc1-c1cc(NC(=O)C(F)(F)c2ccccn2)n(C)n1 328596362 JHYKGOKYHJCMLY-UHFFFAOYSA-N 342.349 3.521 0 50 EHAA O=C(c1cnn2c1CCCC2)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 281938259 HWNUJBADYCTEFH-QZTJIDSGSA-N 333.435 3.680 0 50 EHAA CCN(CCSc1ccccc1)C(=O)c1cccc2nccnc12 216399258 VCXZEUPUJRMJEA-UHFFFAOYSA-N 337.448 3.884 0 50 EHAA O=C(CCc1ccccc1)[C@@H]1CCCN(Cc2cncn2C2CC2)C1 72144442 CGAYDYIWXZQISA-GOSISDBHSA-N 337.467 3.632 0 50 EHAA COc1ccc2[nH]c(CN3CC[C@@H](n4nc(C)cc4C)C3)c(C)c2c1 72145186 FVXMIOZAYAQZFG-MRXNPFEDSA-N 338.455 3.745 0 50 EHAA Clc1cc(N[C@@H]2CCCN(Cc3cccnc3)C2)nc2[nH]ccc12 72146090 FEEPRQHBJDIOPW-CQSZACIVSA-N 341.846 3.688 0 50 EHAA Cc1ccc(-c2cccc(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)c2)o1 215816685 ATOHQIIXQBQASE-QGZVFWFLSA-N 335.407 3.998 0 50 EHAA CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1ccc(F)cc1Cl 77340564 UGXPROKMHZFEDC-MRXNPFEDSA-N 346.833 3.608 0 50 EHAA COc1ccc2[nH]c(CN3CC[C@H](n4nc(C)cc4C)C3)c(C)c2c1 72145187 FVXMIOZAYAQZFG-INIZCTEOSA-N 338.455 3.745 0 50 EHAA Cc1cc(C(=O)N2CCC3(CC2)OCc2ccccc23)ccc1F 372742265 SKFOPAXIFPPUGD-UHFFFAOYSA-N 325.383 3.796 0 50 EHAA Cc1nc(CN2CCC[C@H](c3nccn3Cc3ccccc3)C2)co1 82161368 MRSHGDJUAQUFNF-SFHVURJKSA-N 336.439 3.607 0 50 EHAA Cc1cccc2[nH]c(CCN(C)C(=O)c3ccc4[nH]ccc4c3)nc12 222553317 YHWJYGGGKJWRJN-UHFFFAOYSA-N 332.407 3.667 0 50 EHAA Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 226381334 XUCXURRCBZDFOY-UVLXDEKHSA-N 345.409 3.787 0 50 EHAA COCCC[C@H]1CCCCN1C(=O)c1ccc(-c2cnn(C)c2)cc1 426441734 HCZPTGMHCAKRBN-LJQANCHMSA-N 341.455 3.508 0 50 EHAA CC(C)Sc1nnc(NC(=O)CCc2ccccc2F)s1 224277112 GDIFPRODASNUSB-UHFFFAOYSA-N 325.434 3.749 0 50 EHAA CC1(C)CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@@H]1c1ccccc1 426430691 KAKRNXKZAWBIOR-GOSISDBHSA-N 346.434 3.738 0 50 EHAA O=C(O)c1c(F)ccc2c(Br)cc(C(F)(F)F)nc12 95802892 SWEOMCNBWSJBMU-UHFFFAOYSA-N 338.054 3.853 0 50 EHAA O=C1N(Cc2cccc(F)c2F)CCC[C@]12CCN(CC1CCC1)C2 426423098 QXUONFKFARZUBU-HXUWFJFHSA-N 348.437 3.579 0 50 EHAA Cc1cc(C)c(NC(=O)NCCCc2nc3ccccc3[nH]2)c(C)n1 95507976 GHYVKIDMJFROQP-UHFFFAOYSA-N 337.427 3.637 0 50 EHAA Cc1ccsc1C(=O)Nc1ccc(OCC(=O)O)c2ccccc12 237769057 ORGWQFLMMSKQCM-UHFFFAOYSA-N 341.388 3.925 0 50 EHAA O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@H]1C=C[C@H]2C12CC2 244719197 LYQGQFOGIJZQNF-DMTCVQMQSA-N 334.202 3.695 0 50 EHAA c1ccc(-c2cnc(N[C@@H]3CCO[C@H](c4cccnc4)C3)cn2)cc1 295866736 YQXKNDRCEFUVHI-MJGOQNOKSA-N 332.407 3.871 0 50 EHAA Cn1ccc2c(OCC(=O)Nc3ccc(F)c(F)c3F)cccc21 253404074 HQNGJALSAPNJQB-UHFFFAOYSA-N 334.297 3.613 0 50 EHAA CCSCCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCC1 299771931 XYBRBJWBGTUPDI-MRXNPFEDSA-N 340.920 3.736 0 50 EHAA COc1cc(F)c(C(=O)Nc2cccc(CN3CCCC3)c2)c(F)c1 824557996 WHVJMONRUUMNFO-UHFFFAOYSA-N 346.377 3.822 0 50 EHAA CC(C)Cc1cc(CNC(=O)c2c[nH]nc2C2CCCCC2)on1 821483301 ABBYCTOGZSSPOI-UHFFFAOYSA-N 330.432 3.574 0 50 EHAA CC(C)(C)C[C@H](NC(=O)Cc1n[nH]c2ccccc12)c1cccnc1 670471888 UNBWCCPPAZCUPM-SFHVURJKSA-N 336.439 3.794 0 50 EHAA COc1ccc(S(=O)(=O)N[C@@H](CC(C)(C)C)c2cccnc2)cc1 670467778 SQEKOJSCTALFKP-KRWDZBQOSA-N 348.468 3.546 0 50 EHAA COCCCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CC12CCCC2 952982153 JWROYBIYEIUZHS-GOSISDBHSA-N 331.456 3.641 0 50 EHAA Cc1cc2nccc(NC(=O)N[C@H](C)c3c(F)cccc3Cl)n2n1 1477102239 MOQXSRZOHJKYMT-SNVBAGLBSA-N 347.781 3.713 0 50 EHAA COc1ccc([C@@H]2CCCN2C(=O)CSC[C@H]2CCCCO2)cc1 171357000 NVJDKLPFLGOFBW-MSOLQXFVSA-N 349.496 3.661 0 50 EHAA Cc1c(NC(=O)c2cnn(C3CCCCC3)c2)cccc1C(=O)O 170044312 YYIHAHRTZFITNQ-UHFFFAOYSA-N 327.384 3.647 0 50 EHAA O=S(=O)(Nc1ccc(Cl)c(Cl)n1)c1ccc(Cl)s1 187751554 ZOXXDTRHVYGRPB-UHFFFAOYSA-N 343.644 3.904 0 50 EHAA Cc1cnc([C@H](C)NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)s1 190306333 CRWNEQXARXNXEP-BPUTZDHNSA-N 345.468 3.590 0 50 EHAA CSc1ccc(NC(=O)Nc2ccn(Cc3ccncc3)n2)cc1 192410868 IGUAGHVNXDIDDH-UHFFFAOYSA-N 339.424 3.692 0 50 EHAA C[C@H](c1ccc(Cl)cc1)[S@](=O)Cc1nnc(C2CCC2)n1C 194543729 UIQXDTUNWPOODJ-RKFFSXRUSA-N 337.876 3.746 0 50 EHAA Cc1ccc(C)c([C@H](C)NC(=O)CN(Cc2ccncc2)C2CC2)c1 1506400185 UYZAQTGHUSNLHC-KRWDZBQOSA-N 337.467 3.540 0 50 EHAA Cc1ccc(CN(C(=O)c2cccc3c2CCC3=O)C2CC2)s1 1506400021 SLHWGMHTQRRNPR-UHFFFAOYSA-N 325.433 3.990 0 50 EHAA CNc1nc(NC[C@@H](c2ccccc2)N2CCCCCC2)ncc1F 1529161429 JAXWTMCADHAYAG-KRWDZBQOSA-N 343.450 3.687 0 50 EHAA CN(C)C(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 5555867 LJVFVTMTVCFCHT-UHFFFAOYSA-N 327.771 3.759 0 50 EHAA Cc1nnc(CNC(=O)C[C@H](c2ccccc2)c2ccccc2C)o1 11753867 NNJFROALGHGGBH-GOSISDBHSA-N 335.407 3.525 0 50 EHAA CC(C)=CC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 11953103 WVOLGQCZENDEOB-FQEVSTJZSA-N 330.447 3.606 0 50 EHAA Cc1ccc(-c2ccccc2CN2CCC[C@H](N3CCOCC3)C2)o1 19773652 UPMGESNVFQYLOP-IBGZPJMESA-N 340.467 3.552 0 50 EHAA Cc1nc2ccccc2nc1-c1nccn1Cc1cc(C2CC2)on1 1857685818 VNARVKDSANNBDQ-UHFFFAOYSA-N 331.379 3.715 0 50 EHAA Cc1nc(NC(=O)c2ccc3c[nH]nc3n2)cc(-c2ccccc2)c1C 1857719394 KBDIWTHJHHLRHR-UHFFFAOYSA-N 343.390 3.889 0 50 EHAA Cc1nnc(CN[C@H](Cc2ccccc2Cl)c2ccccc2)n1C 132816831 QZQMIMUMZPQSOY-GOSISDBHSA-N 340.858 3.851 0 50 EHAA C[C@H](CCc1cccnc1)NC[C@@H]1CCCc2ccc(C(=O)O)cc21 901883587 YZOYTCYRDAATJI-BEFAXECRSA-N 338.451 3.811 0 50 EHAA CC(=O)c1c(C)cc(NCc2noc(-c3cncc(C)c3)n2)cc1C 902120860 JZZAYLLGPAANMK-UHFFFAOYSA-N 336.395 3.872 0 50 EHAA CC(C)(CNC(=O)c1cccc2nc(C(F)F)[nH]c12)c1cccnc1 822820908 KPDSGKJLEYNOOO-UHFFFAOYSA-N 344.365 3.603 0 50 EHAA Oc1ccc(CN2CCC[C@](O)(c3ccccc3)CC2)c(F)c1F 1875287880 DWGWKQYCUGNEAI-LJQANCHMSA-N 333.378 3.544 0 50 EHAA N[C@@H]1CCCC12CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 2325800025 HSJUIHJLGMIAOE-QGZVFWFLSA-N 342.874 3.895 0 50 EHAA Cc1cc(CNCc2ccc3c(c2)OC(C)(C)O3)ccc1-n1ccnc1 2325857937 VIOUEMPRABUFGR-UHFFFAOYSA-N 349.434 3.978 0 50 EHAA C[C@@H]1CCc2c(sc3ncn(Cc4ccccc4F)c(=O)c23)C1 132333 LSXJLBUSULAXQA-LLVKDONJSA-N 328.412 3.770 0 50 EHAA Cc1nc(N[C@H](CC(C)C)C(=O)O)c2c3c(sc2n1)CCCC3 237042 AHUGUMBYIFEESI-GFCCVEGCSA-N 333.457 3.790 0 50 EHAA CCOc1ccc(-c2nnc(NC(=O)c3ccccc3F)s2)cc1 447974 CORHHKODFGIWLR-UHFFFAOYSA-N 343.383 3.995 0 50 EHAA Cc1ccc(O)cc1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 1215902 WGLCZWUYIQCROI-UHFFFAOYSA-N 326.396 3.938 0 50 EHAA CC(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 2748876 VFDGQANFXOPJNG-UHFFFAOYSA-N 329.224 3.837 0 50 EHAA Cc1ccc(OCCOCCN2CCCCC2)c(Br)c1 3003212 GLNRDJYTPSEJAD-UHFFFAOYSA-N 342.277 3.639 0 50 EHAA CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2)cc1 2994720 MYJRMINKPHXEOR-UHFFFAOYSA-N 328.437 3.911 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(C)(C)C 4970458 GSOJSOSWEZSWIP-UHFFFAOYSA-N 334.441 3.579 0 50 EHAA CSc1ncc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)cn1 55183400 QWIDOAURXHAGAI-ZDUSSCGKSA-N 339.468 3.543 0 50 EHAA COc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)c1 101863581 GZQKRINTNABBQA-RAUXBKROSA-N 349.430 3.877 0 50 EHAA Cc1sc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)nc1-c1ccccc1 101686316 MUCIWSNWQQMRAQ-OKILXGFUSA-N 326.421 3.798 0 50 EHAA C[C@@](O)(c1ccccc1)[C@H](Cc1ccc(Cl)cc1)n1cncn1 27428844 YULDTPKHZNKFEY-ZWKOTPCHSA-N 327.815 3.623 0 50 EHAA in-vitro Clc1ccc([C@H]2CN(CCCn3ccnc3)CCO2)cc1Cl 71774574 MTFISSZFZCEBIA-MRXNPFEDSA-N 340.254 3.654 0 50 EHAA Cc1c(NC(=O)c2cc(F)c(F)cc2F)cnn1-c1ccccc1F 151319131 RDKOKSQZNJGWLN-UHFFFAOYSA-N 349.287 3.989 0 50 EHAA CCn1ccnc1CN(C)Cc1cc(CN2CCCCC2)cs1 215458606 WXJXCZZFAJBKGN-UHFFFAOYSA-N 332.517 3.582 0 50 EHAA Cc1c(CN2CCNC(=O)[C@H]2c2cccc(F)c2)oc2ccccc12 215617159 TZHDYWLDWFCEJF-LJQANCHMSA-N 338.382 3.553 0 50 EHAA Cc1nccn1-c1ccc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 129373184 LZTPYZUNFXVPAW-CABCVRRESA-N 338.377 3.786 0 50 EHAA c1ccc(CCc2noc(COc3cccc4cnccc34)n2)cc1 72160876 DFDXMTNBBSZPIO-UHFFFAOYSA-N 331.375 3.982 0 50 EHAA O=C(c1cccnc1S)N1CCC[C@H](Oc2ccccc2Cl)C1 131259415 OQEFGXLQHAGVDV-LBPRGKRZSA-N 348.855 3.707 0 50 EHAA C[C@H](O)C[C@@H](CNC(=O)N1CCC[C@H]1C1CCC1)c1ccccc1 241630912 PMJAJMADJVUQLA-SNRMKQJTSA-N 330.472 3.515 0 50 EHAA Cc1nc2cc(C(=O)N(C)[C@H](C)c3nc(C)sc3C)ccc2[nH]1 82096683 AHTKKAMFYIENRR-SECBINFHSA-N 328.441 3.778 0 50 EHAA O=C(N[C@H](c1ccccc1)c1ccco1)N1CCC2(CCCO2)CC1 426618409 WBAOPBNPWNTYHV-GOSISDBHSA-N 340.423 3.724 0 50 EHAA COc1ccc2c(C)c(C(=O)N(C)CCC[C@@H]3CCCO3)oc2c1 91848701 YNNOFTIAKFBYBB-CQSZACIVSA-N 331.412 3.781 0 50 EHAA Cc1cc(CN2CCC3(CCC(=O)N(C4CC4)C3)CC2)ccc1F 92078158 RMUMRGSVYVTIAX-UHFFFAOYSA-N 330.447 3.501 0 50 EHAA Cc1ccc(C)n1CCC(=O)Nc1nc(-c2ccccn2)cs1 253400570 DZRBAQAGZNRECL-UHFFFAOYSA-N 326.425 3.652 0 50 EHAA ClC1(Cl)[C@H]2C[C@H]3[C@@H](C[C@H]21)C3(Br)Br 257356551 IYBTUQYJFCIAQN-FBXFSONDSA-N 334.866 3.932 0 50 EHAA Cc1ccc([C@]2(C(=O)N(C)Cc3cc(C4CC4)[nH]n3)CC2(C)C)cc1 299772195 RWMNVMOSIYWYKK-NRFANRHFSA-N 337.467 3.922 0 50 EHAA O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@@H](Cn2ccnc2)C1 299770217 NZHNUPHUJCNONP-LBPRGKRZSA-N 336.798 3.620 0 50 EHAA Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@@]2(C)CCCO2)c1 825162168 CVAVOALPMOGQDC-HXUWFJFHSA-N 338.407 3.755 0 50 EHAA C[C@@H](c1ccc(CN2CCCN(C3CCCC3)CC2)cc1)N(C)C 952968660 FRMYJMSMPZNSMJ-SFHVURJKSA-N 329.532 3.760 0 50 EHAA CN(C(=O)/C=C/c1ccc2ccccc2n1)[C@@H](CCO)c1ccccc1 305698405 AVXJRJKRBXTQCH-ARKBFRDHSA-N 346.430 3.830 0 50 EHAA COc1ccc(CCNC(=O)c2c(F)cccc2SC)cc1F 408515791 DXQQRLOEHNXZOS-UHFFFAOYSA-N 337.391 3.668 0 50 EHAA Cc1noc(C)c1[C@@H](C)CNC(=O)c1cn(C)nc1C1CCCCC1 269835444 MYXLFNQBOFGIQA-LBPRGKRZSA-N 344.459 3.606 0 50 EHAA CCn1nccc1[C@@H]1OCC[C@H]1CNC/C(C)=C/c1ccccc1 275586624 PIURXGVGZPHSIV-JBRNSASCSA-N 325.456 3.674 0 50 EHAA Fc1ccccc1-c1noc(CN(C[C@H]2CCCO2)C2CCCC2)n1 189048997 QARCSEKKEYEMJN-OAHLLOKOSA-N 345.418 3.799 0 50 EHAA CC[C@@H](C(=O)O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 191435186 LSMJDGOGHDPHBI-HOCLYGCPSA-N 329.444 3.660 0 50 EHAA O=C(Nc1ccc(CN2CCc3ccccc32)cc1)C1=CCOCC1 193085740 BNEAGTPRNKTVPM-UHFFFAOYSA-N 334.419 3.535 0 50 EHAA CCc1ccccc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 781343404 BRYQEAJSSAKUOP-MRXNPFEDSA-N 346.471 3.768 0 50 EHAA Cc1ccc2[nH]c(CN(Cc3ccccn3)C(C)(C)CO)c(C)c2c1 1506398783 UKFMKUKDHSPBIW-UHFFFAOYSA-N 337.467 3.953 0 50 EHAA COCCN1CC[C@H](CNCc2ccc(-c3ccccc3Cl)o2)C1 1506428896 UERROCLMPCTSJM-OAHLLOKOSA-N 348.874 3.658 0 50 EHAA CCc1nccn1C[C@H](C)NCc1c[nH]nc1-c1ccc(Cl)cc1 1506427702 ZCSCKKFHPWZZCM-ZDUSSCGKSA-N 343.862 3.667 0 50 EHAA O=C(c1cc(F)c(F)cc1F)N1CCC[C@@H](Nc2ccccc2)C1 12435369 DEMHMTLHARCEGI-CYBMUJFWSA-N 334.341 3.821 0 50 EHAA O=C(C1=CCCC1)N1CC[C@@]2(CCCN(CCc3ccccc3)C2)C1 12583690 CMCWDPYGYNTSDN-JOCHJYFZSA-N 338.495 3.654 0 50 EHAA O=C1Nc2ccccc2[C@@]12Nc1ccccc1-c1nc3ccccc3n12 13124618 CDCJDEZNJCRHKK-NRFANRHFSA-N 338.370 3.782 0 50 EHAA CN1CCN(C(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 16623184 JRKQNAUGNMMOPG-LJQANCHMSA-N 342.870 3.636 0 50 EHAA Cc1cc2c(NC[C@]3(c4ccc(F)cc4)CCOC3)cccc2nn1 19148804 CVJIJEBJAXZAKK-HXUWFJFHSA-N 337.398 3.848 0 50 EHAA O=C(/C=C/c1ccccc1)N[C@H](N1CCCC1)C(Cl)(Cl)Cl 19315580 HBZRRWIUPLJFGH-MYSGNRETSA-N 347.673 3.608 0 50 EHAA CC(=O)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 19893886 SZKKXDBSKQUZBX-AEFFLSMTSA-N 326.783 3.799 0 50 EHAA CC(C)(C)c1ccc2oc(N3CCC(N4CCOC4=O)CC3)nc2c1 1857680449 NUWJRWIZBKCQIW-UHFFFAOYSA-N 343.427 3.546 0 50 EHAA O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1noc2c1CCCCC2 124956067 CFGUQQXFTGZOET-GHMZBOCLSA-N 330.350 3.794 0 50 EHAA CN(Cc1ccc(C(=O)O)cc1)C(=O)C[C@@H]1CCc2ccccc2C1 262959445 JXYJWFVTKJSCOT-MRXNPFEDSA-N 337.419 3.538 0 50 EHAA CC(C)n1cc(C(=O)Nc2ccnn2Cc2ccc(Cl)s2)cn1 888255871 IESWLJVXIZBEDM-UHFFFAOYSA-N 349.847 3.676 0 50 EHAA CC[C@@]1(C)OC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)[C@]1(C)O 4727290 NFDZMYANUCAPEO-IAGOWNOFSA-N 336.819 3.693 0 50 EHAA Oc1ccc(CCc2nnc3n2CC[C@H](c2ccccc2)CC3)cc1 2100534405 HCCREQABGUFDKW-GOSISDBHSA-N 333.435 3.889 0 50 EHAA C[C@H](NC(=O)c1cnc(N)c(Cl)c1)c1ccc(Cl)c(F)c1 2325717728 HHENFSHUZSWDFU-ZETCQYMHSA-N 328.174 3.601 0 50 EHAA CC(=O)c1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1 149902 IDYLMZDPRPFAKM-UHFFFAOYSA-N 339.420 3.950 0 50 EHAA CCOC(=O)c1cc(C(=O)c2cccs2)n2ccc(C(C)=O)cc12 387045 PDQZDEARESSTPE-UHFFFAOYSA-N 341.388 3.611 0 50 EHAA CC(=O)Nc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2Cl)c1 433576 KVBDAEBMTKLWPK-UHFFFAOYSA-N 345.786 3.509 0 50 EHAA CC1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1 458446 SLMBAIVQBZUEAU-UHFFFAOYSA-N 346.652 3.740 0 50 EHAA Cn1nnc2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc21 471069 SXSLDDZGYKUMLM-UHFFFAOYSA-N 335.289 3.631 0 50 EHAA COc1ccccc1Cc1nc([C@H]2CC[C@H](N)CC2)n(C(C)(C)C)n1 2356157070 CZDYONSTLHOAQP-KOMQPUFPSA-N 342.487 3.617 0 50 EHAA O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)OCc1ccccc1 2597008 XBRPIBMAJOTVHG-IBGZPJMESA-N 349.386 3.762 0 50 EHAA Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 2853773 CAURASVQRNGDTO-SFHVURJKSA-N 348.402 3.568 0 50 EHAA CCCOC(=O)c1ccc(NC(=O)COc2ccc(CC)cc2)cc1 2969208 HBGWYUUQDUVEHC-UHFFFAOYSA-N 341.407 3.833 0 50 EHAA O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ncccn1 4503000 RZXACTHCHJGLCZ-UHFFFAOYSA-N 328.224 3.655 0 50 EHAA Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1 6068955 KMLNWQPYFBIALN-UHFFFAOYSA-N 343.766 3.624 0 50 EHAA world Sc1nnc(COc2cccc(Cl)c2)n1Cc1ccccc1 6557644 DPKZCBUDIJBTND-UHFFFAOYSA-N 331.828 3.848 0 50 EHAA CC(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 6698636 DEKCQUNBCUYJPH-UHFFFAOYSA-N 348.752 3.556 0 50 EHAA O=C(NC[C@@H](c1ccco1)N1CCCC1)C12CC3CC(CC(C3)C1)C2 8514482 JOWULBJTBYIARV-QQABJKMWSA-N 342.483 3.749 0 50 EHAA CCCC(=O)Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1 55545135 GCHHUCXBWCBDIP-UHFFFAOYSA-N 348.450 3.791 0 50 EHAA COc1ccc(/C=C/CN2CCC(n3cc(C4CC4)nn3)CC2)cc1 55402981 ZXFBTHMSZTZPAE-NSCUHMNNSA-N 338.455 3.514 0 50 EHAA CCCCN(C(=O)c1cnc(-c2cnn(C)c2)s1)c1ccccc1 112162695 AFCROHSUYBGSLU-UHFFFAOYSA-N 340.452 3.991 0 50 EHAA Brc1ccc(CN2C3=NCCN3c3ccccc32)cc1 100646585 LPQYPUPWPOEKCS-UHFFFAOYSA-N 328.213 3.645 0 50 EHAA O=C(NCc1cccc(OC(F)F)c1)c1cccnc1C(F)(F)F 136742263 UHYXLVCBDDMMAY-UHFFFAOYSA-N 346.255 3.632 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(F)c2)c(C)c1 20402038 OFHSPVXQIICRSL-SFHVURJKSA-N 340.398 3.686 0 50 EHAA Cc1ccc(C(=O)NCc2cccnc2Oc2ccc(C)nc2)c(O)c1 67846838 LHMKYIJJORHSHY-UHFFFAOYSA-N 349.390 3.521 0 50 EHAA Cc1ccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)cc1C 21806958 KVFYKSGNYKCCQP-UHFFFAOYSA-N 331.725 3.961 0 50 EHAA CN1CCC(Oc2ccc(NC(=O)CCc3ccccc3)cc2)CC1 65364758 KONRVCRNRDTHRM-UHFFFAOYSA-N 338.451 3.731 0 50 EHAA CC[C@H](NC(=O)NCCc1ccc2[nH]ccc2c1)c1c(C)noc1C 253433124 SKAOWWWPJWNYLQ-INIZCTEOSA-N 340.427 3.766 0 50 EHAA Nc1nc2c(s1)[C@@H](c1cccc3c1oc1ccccc13)CC(=O)NC2 65385530 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337.423 3.924 0 50 EHAA c1cc(CN2CCCCCC2)cc(-c2nc([C@@H]3CCOC3)no2)c1 96149779 FQYHWSPRIHHILZ-QGZVFWFLSA-N 327.428 3.617 0 50 EHAA Cc1cc(C(=O)N[C@H]2CCCOc3c(F)cccc32)nn1C(C)(C)C 181060691 NWLNBCBJFOCLTK-HNNXBMFYSA-N 345.418 3.729 0 50 EHAA O=C1CC[C@@H](COc2c(Cl)cc(Cl)c3cccnc23)CCN1 295364705 OVBWSBKWTXJBPQ-SNVBAGLBSA-N 339.222 3.837 0 50 EHAA Oc1ncnc2c(Br)cc(Br)c(Cl)c12 242648365 QUJRIKPROYTFMC-UHFFFAOYSA-N 338.386 3.514 0 50 EHAA CC[C@H](NC(=O)c1ccc(-c2ccccc2OC)cc1)[C@H]1C[C@H](O)C1 244734843 NMUAVCMTQBYRMM-LNLFQRSKSA-N 339.435 3.642 0 50 EHAA O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)NCc1cccnc1 253413440 UUBNDZCCYHOMKS-SFHVURJKSA-N 339.826 3.832 0 50 EHAA CC(C)CCC[C@@H](C)NC(=O)N(C)Cc1cnc2ccccc2n1 534590229 WNXKZSSWIOCWPY-OAHLLOKOSA-N 328.460 3.986 0 50 EHAA COc1ccc(-n2cccn2)c(CN2CCc3sccc3C2)c1 824628658 VJDGFZWFFDMUBU-UHFFFAOYSA-N 325.437 3.501 0 50 EHAA CCCN(CCC1=CCCCC1)C(=O)[C@H]1CC(=O)OC12CCCC2 822889608 AYQHZIDJDBOXLL-QGZVFWFLSA-N 333.472 3.991 0 50 EHAA Cn1nnc2cc(CN[C@@H]3CCCOc4cc(Cl)ccc43)ccc21 678969703 QTMIFNDTJRQHLR-OAHLLOKOSA-N 342.830 3.625 0 50 EHAA Cc1cc(C2(NCc3cc(C(C)(C)C)oc3C)CCOCC2)on1 895667249 DYHMRHVCUOIXBZ-UHFFFAOYSA-N 332.444 3.977 0 50 EHAA Cc1cc(C(=O)N(Cc2ccccn2)C2CC2)c2cnn(C(C)C)c2n1 194393315 PZEFCSBKDGUQNY-UHFFFAOYSA-N 349.438 3.520 0 50 EHAA O=C(NCC1([C@@H](O)c2ccccc2)CC1)Nc1ccc2cc[nH]c2c1 194325053 DDPIKVKLSYYGBZ-SFHVURJKSA-N 335.407 3.803 0 50 EHAA O=C(Nc1ccc(CC(=O)N2CCCc3ccccc3C2)cc1)C1CC1 173115988 HWZXIIDALBXIMT-UHFFFAOYSA-N 348.446 3.553 0 50 EHAA CO[C@H]1CCCN(C(=O)c2cccc(OCCc3ccccc3)c2)C1 1506402165 MQRVTCBPLJOZOT-FQEVSTJZSA-N 339.435 3.559 0 50 EHAA OC[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2ccccc2)C1 11874733 GKRRTMNIFDTWEW-HXUWFJFHSA-N 331.406 3.782 0 50 EHAA CCCCOc1ccc(NC(=O)CCSc2nccn2C)cc1 13154831 MTRLWAINNBVFTF-UHFFFAOYSA-N 333.457 3.720 0 50 EHAA COc1ccc(-n2cc(-c3ccnc(NCc4ccco4)n3)cn2)cc1 19770897 HHTRADFJCFRSDZ-UHFFFAOYSA-N 347.378 3.543 0 50 EHAA c1ccc(CCN2CCC(N[C@H]3CCN(c4ccccc4)C3)CC2)cc1 151507575 NDHVKMMDDQDMQO-QFIPXVFZSA-N 349.522 3.562 0 50 EHAA CCOCc1ccc(OC[C@@H]2CC3CCN2CC3)c2ncccc12 1857688337 DLPYSOISNKLYIE-KRWDZBQOSA-N 326.440 3.634 0 50 EHAA Cc1ccc2cc(C(=O)Nc3ccc4c(c3)NC(=O)CC4)ccc2n1 151153336 MFDGHXXQJZMLMP-UHFFFAOYSA-N 331.375 3.680 0 50 EHAA C[C@@H]1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)c2cccnc2O1 158406400 MOMGXLHZSRTPSV-SECBINFHSA-N 340.276 3.667 0 50 EHAA Cn1ccnc1[C@@H]1N(C(=O)c2ccc(F)c3occc23)CC1(C)C 821105368 LEHDPXWDRPJEPN-HNNXBMFYSA-N 327.359 3.529 0 50 EHAA COc1ccccc1[C@@H](CNc1nc2cnccc2n1C)OC(C)C 865683402 YCZKGRFIUDOXLD-GOSISDBHSA-N 340.427 3.555 0 50 EHAA Cc1nc(-c2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc2)[nH]c1C 1153547703 DZTDYECNXTVQHU-UHFFFAOYSA-N 347.378 3.929 0 50 EHAA CSc1ccc(-c2noc([C@@H]3CCCc4nn[nH]c43)n2)c(Cl)c1 952893854 KWCJUHZSQSEGGZ-SNVBAGLBSA-N 347.831 3.698 0 50 EHAA CN(C)c1ccc(C(=O)N2CCC=C(c3cccc(O)c3)C2)c(F)c1 1875306650 AXYIZJYWXYIOBX-UHFFFAOYSA-N 340.398 3.527 0 50 EHAA CCOc1cccc([C@@H](C)NC[C@@H](CO)Cc2ccccc2C)c1 2325742204 MVAJUNIGSKOOIH-MSOLQXFVSA-N 327.468 3.896 0 50 EHAA C[C@@]1(CC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CCCO1 2325776232 DHBCSIQATOGXRU-FQEVSTJZSA-N 326.440 3.833 0 50 EHAA CC(=O)Nc1ccc(CN[C@@H](C)CCc2n[nH]c3ccccc23)cc1 2325870277 QHZODCOUYSPNBW-AWEZNQCLSA-N 336.439 3.632 0 50 EHAA CCOC(=O)[C@@H](C)Oc1cc2oc(=O)c(Cl)c(C)c2cc1Cl 46571 FFKVNKTXECJUPS-MRVPVSSYSA-N 345.178 3.739 0 50 EHAA COc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 82663 ISLDFISPMWFHMA-UHFFFAOYSA-N 349.312 3.702 0 50 EHAA Cc1cc(Br)ccc1OCc1nc(-c2ccncc2)no1 205817 ZKFHHZSQPQTMII-UHFFFAOYSA-N 346.184 3.782 0 50 EHAA CCNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 311189 DONUXTBOXMQBQJ-UHFFFAOYSA-N 328.437 3.629 0 50 EHAA Cc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccc3n2)o1 375519 XBZNENPOSGUMQG-CQSZACIVSA-N 336.391 3.712 0 50 EHAA CCCOc1ccc(NC(=O)c2ccc(OCCOC)cc2)cc1 8723161 RYBJTPIMKGNMPK-UHFFFAOYSA-N 329.396 3.753 0 50 EHAA COC(=O)c1cccn2cc(-c3ccc(Br)cc3)nc12 8729872 LTPZYWPWIVOXAU-UHFFFAOYSA-N 331.169 3.550 0 50 EHAA CN1CCN(c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 9750890 NZONRDZYZSFTNT-UHFFFAOYSA-N 344.846 3.736 0 50 EHAA Oc1cccc(CNCc2cccnc2N2CCCCCCC2)c1 11879525 GPBZPGQDDDVJGT-UHFFFAOYSA-N 325.456 3.848 0 50 EHAA C[C@H]1CN(Cc2ccc(NC(=O)c3cccs3)cc2)C[C@@H](C)O1 12418043 BEHQCNBACRPTSR-OKILXGFUSA-N 330.453 3.610 0 50 EHAA COc1ccc(Cc2nn3c(=O)cc(C)[nH]c3c2-c2ccccc2)cc1 13520522 VHVXLXRQYLPCIY-UHFFFAOYSA-N 345.402 3.597 0 50 EHAA COc1ccccc1CNCc1ccc(-c2cccc(C(=O)O)c2)o1 13690189 PQMJHXSPBBGMPD-UHFFFAOYSA-N 337.375 3.943 0 50 EHAA COc1ccc(-c2cc(C(=O)O)n3ncc(-c4ccccc4)c3n2)cc1 20605752 JWAFPBTUPSOLDQ-UHFFFAOYSA-N 345.358 3.770 0 50 EHAA COC(=O)N1CCC(Sc2ncnc3ccc(Cl)cc23)CC1 34429852 AFYIHSAPGWAZHW-UHFFFAOYSA-N 337.832 3.606 0 50 EHAA CC[C@@H](CO)N(Cc1ccsc1)Cc1nc2c(s1)CCCC2 55228382 LSHCPHDIYUIOBN-AWEZNQCLSA-N 336.526 3.857 0 50 EHAA O=C(c1ccccc1Cc1ccc(Cl)cc1)N1CCC[C@H]1CO 55327198 FYNNWAPUFDENAK-KRWDZBQOSA-N 329.827 3.528 0 50 EHAA CC(=O)Nc1ccc(-c2cn(Cc3nc4ccccc4s3)nn2)cc1 67491155 IBBWSMVAOFVIMT-UHFFFAOYSA-N 349.419 3.562 0 50 EHAA Cc1cccc(C)c1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 67654166 FIIQSJQFNQHVSW-UHFFFAOYSA-N 349.409 3.843 0 50 EHAA Cc1nc2ccccc2nc1CN1CCCC[C@@H]1CCn1ccnc1C 77541745 FOYPLVUPKVKTKO-GOSISDBHSA-N 349.482 3.888 0 50 EHAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3ccn(C(F)F)n3)C2)cc1 82086547 LQKHKKGMOBLYFV-CQSZACIVSA-N 349.381 3.518 0 50 EHAA CCc1ocnc1C(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 82096316 HYCBECONTKBFNT-OAHLLOKOSA-N 328.412 3.570 0 50 EHAA Cc1cc(C(=O)N[C@H](CCO)c2ccccc2)c2ccc(F)cc2n1 82107638 LEOHKSUUEWLADT-GOSISDBHSA-N 338.382 3.536 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2C)C1 91848793 YKDXKIADNHNHLK-AWEZNQCLSA-N 331.847 3.885 0 50 EHAA CCn1cc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)c(C)n1 92001518 CTUQWLHKUHHPKR-KRWDZBQOSA-N 341.455 3.545 0 50 EHAA Cc1cccnc1[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C1CC1 95376762 KKVZSYBNPNXOLN-FQEVSTJZSA-N 346.434 3.831 0 50 EHAA O=C(NCCc1cc2ccccc2[nH]1)N1CCC[C@H]1c1ccncc1 136671972 UHNOJEOSMDVCHL-IBGZPJMESA-N 334.423 3.652 0 50 EHAA CCO[C@H](C)c1nccn1Cc1nc2cc(Br)ccc2[nH]1 155459826 CWYICDHIHCVYET-SNVBAGLBSA-N 349.232 3.668 0 50 EHAA COc1ccccc1[C@H]1CCCN1C(=O)c1cc(C)n(C(C)(C)C)n1 171194771 MNHHVKSTQHACGD-QGZVFWFLSA-N 341.455 3.932 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)cc1 181323462 LBZYSEGDVHWTHN-GOSISDBHSA-N 346.434 3.800 0 50 EHAA COC(=O)c1ccc(N(C(=O)c2csnc2C)C(C)C)c(C)c1 183283912 DHPUCJCSAISSAA-UHFFFAOYSA-N 332.425 3.602 0 50 EHAA Cc1cc(N2CCO[C@H](c3ccc(F)cc3F)C2)nc(C2CC2)n1 189269431 HFHVHIONUFRDSP-INIZCTEOSA-N 331.366 3.519 0 50 EHAA O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2ccn(C3CCCC3)n2)C1 225501169 IHKBQAQKRPCYPY-QFBILLFUSA-N 347.409 3.584 0 50 EHAA CC[C@H](C(=O)N1CCC(C(=O)O)CC1)c1cccc(C(F)(F)F)c1 237072458 YATCAWFTNQQCHT-AWEZNQCLSA-N 343.345 3.522 0 50 EHAA CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc2ncoc2c1 241837495 SKOKBXQPMSVDBG-UHFFFAOYSA-N 338.363 3.671 0 50 EHAA Cc1cc(C)c(NC(=O)CCN2CC(c3ccccn3)C2)c(Cl)c1 244774180 PPFKQUHHISDEBC-UHFFFAOYSA-N 343.858 3.780 0 50 EHAA C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCC[C@H]1C 252474366 BWXJNQRNSROICM-UGUYLWEFSA-N 338.492 3.574 0 50 EHAA Cc1cc(C(=O)Nc2cc(F)c(Br)cc2Cl)on1 252500439 SVRSROYQNGVOHZ-UHFFFAOYSA-N 333.544 3.790 0 50 EHAA CCOC(=O)c1csc(COc2ccc(Br)cc2)n1 259988230 IKDYOUFTSOCRFL-UHFFFAOYSA-N 342.214 3.661 0 50 EHAA COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2cnn(C)c2)cc1 328587360 GYEVTQQTCIMXTA-OAHLLOKOSA-N 349.434 3.929 0 50 EHAA CN(C[C@@H]1CC12CCN(C(=O)CC(C)(C)C(F)(F)F)CC2)C1CC1 377085665 BXZVQEPEAMCOPG-ZDUSSCGKSA-N 346.437 3.688 0 50 EHAA CSC1(C(=O)NCCc2nc3ccccc3n2C(C)C)CCC1 408514919 ZLQWMAVNXBRAQF-UHFFFAOYSA-N 331.485 3.562 0 50 EHAA CC[C@@H](Oc1ccc(Cl)cc1)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C 584567012 WTPAXDRULIZRDJ-YALNPMBYSA-N 337.847 3.666 0 50 EHAA C[C@H](NC(=O)C1(c2ccccc2)CCN(C)CC1)C1=CCCCC1 670468750 LBYKYGVCKXPNDI-KRWDZBQOSA-N 326.484 3.655 0 50 EHAA Cc1ccncc1[C@H]1CCN(C(=O)c2ccc(-n3cccn3)c(C)c2)C1 886093357 CRSMCSFFCNMUAB-SFHVURJKSA-N 346.434 3.514 0 50 EHAA Cc1ccc(Nc2cccc(C(=O)N3CC[C@@H]3C3CCCC3)c2)nn1 889400904 UBBGGVCOGHPPOB-GOSISDBHSA-N 336.439 3.933 0 50 EHAA CC1(C)C[C@]1(CNCc1ccc(OCC(=O)O)cc1)c1ccccc1 902489095 KKRQCYNHSXRKCD-NRFANRHFSA-N 339.435 3.608 0 50 EHAA C[C@@H]1CN(C(=O)NCc2cnc(O)c3ccccc23)[C@@H]2CCCC[C@@H]12 924813790 NJEMNZKOTKLBGT-QIIPPGSGSA-N 339.439 3.661 0 50 EHAA O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc(-c2ccccc2)ccn1 934922204 NDCCUJOWQHQILR-SFHVURJKSA-N 336.435 3.970 0 50 EHAA CCN(C)C[C@H](C)CNC(=O)c1ccc(-c2ccccc2Cl)o1 952985111 BRTOERRJJAOMAW-CYBMUJFWSA-N 334.847 3.918 0 50 EHAA O=C1CC[C@H](NC2(Cc3ccc(Cl)cc3)CC2)CCN1CC1CC1 1506420356 DOUQBWXYPIYIIS-SFHVURJKSA-N 346.902 3.796 0 50 EHAA CCc1ccccc1CN1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 1565530627 PZJDPYOLYXQHRQ-UZLBHIALSA-N 341.524 3.802 0 50 EHAA CC(=O)c1ccc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)nc1 1704300864 YOBOJRNQQGUXLR-YLJYHZDGSA-N 347.418 3.502 0 50 EHAA O=C(O)c1cc2cc(OC(F)(F)F)cc(Br)c2o1 1775955734 WBJRHFUIIISLTP-UHFFFAOYSA-N 325.036 3.792 0 50 EHAA C/C(=C\C(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F)C1CC1 1775956848 YSQPAIIPKNHMTI-IRSGEFJISA-N 339.357 3.696 0 50 EHAA CC1([C@@H]2CCCN(C(=O)c3ccnc(Oc4ccccc4)c3)C2)N=N1 1775997331 BQXPMZZUGASYEX-OAHLLOKOSA-N 336.395 3.908 0 50 EHAA C/C=C/CCCC(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857672234 DGPASMHWHDKVPT-HKZCFIMXSA-N 327.468 3.718 0 50 EHAA O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1CC[C@H]1c1ccccc1 1875306802 PJVWTRIIJKHEPF-HSALFYBXSA-N 337.419 3.987 0 50 EHAA COc1ccc([C@@H]2CC[C@H](Sc3nc4ncccn4n3)C2)cc1F 2325778434 ZBBDDOMGPZACFH-YPMHNXCESA-N 344.415 3.700 0 50 EHAA COc1ccc(-c2ccc(-c3nccn3C[C@H](C)OC)cn2)cc1F 2356141165 XAIOQFMBUACSFR-ZDUSSCGKSA-N 341.386 3.795 0 50 EHAA O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc(F)c1 175983 VZUHBBTYKONRLT-UHFFFAOYSA-N 332.338 3.812 0 50 EHAA CCOC(=O)c1c(N)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 224943 SIGYUBKBFHYQBV-UHFFFAOYSA-N 332.425 3.685 0 50 EHAA O=C(c1cc2ccccc2oc1=O)N1CCC[C@H](c2ccccc2)C1 286632 PYJCNDPFWIINLA-KRWDZBQOSA-N 333.387 3.813 0 50 EHAA CCOc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1F 384725 XLVPHDPDFUSITR-UHFFFAOYSA-N 343.807 3.987 0 50 EHAA O=C1C[C@H](c2cccc(Br)c2)c2cc3c(cc2N1)OCO3 427641 CBQBUJKRIFKPMJ-LLVKDONJSA-N 346.180 3.652 0 50 EHAA CC(C)CNC(=O)c1cccc(NC(=O)CSc2ccccc2)c1 618654 ZAQNFWIYBFNIKF-UHFFFAOYSA-N 342.464 3.803 0 50 EHAA CCCN1CCC[C@@]2(CCCN2C(=O)c2ccc(Cl)cc2C)C1=O 2356138158 GKKPDFSYUDNDRG-LJQANCHMSA-N 348.874 3.656 0 50 EHAA Cc1cc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)ccc1Cl 4104553 LFMCVEUEHMJGFD-QGZVFWFLSA-N 344.823 3.533 0 50 EHAA Nc1cc(=O)nc(SCc2ccccc2)n1-c1ccccc1Cl 4857639 KQBALYGQFRJLAF-UHFFFAOYSA-N 343.839 3.760 0 50 EHAA O=C(NCCC(F)(F)F)c1cc2ccccc2nc1N1CCCC1 225426084 TWBKQVYVRAEXFR-UHFFFAOYSA-N 337.345 3.517 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NCCC1=CCCCC1)[C@H]2C(=O)O 101571894 ZTUAJOYALITIFU-LMSBXDPUSA-N 331.456 3.686 0 50 EHAA CC(C)COc1ccccc1CN(C)C(=O)c1ccnn1C(F)F 55393370 SZWOWBYMDSOMNS-UHFFFAOYSA-N 337.370 3.585 0 50 EHAA CC(C)COc1ccccc1CN(C)C(=O)c1ccc(CN(C)C)o1 55403351 YJIFBUMGCKOBEF-UHFFFAOYSA-N 344.455 3.648 0 50 EHAA CCOC(=O)c1ccccc1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 105641247 KTBOQRJRFATIQY-AWEZNQCLSA-N 333.428 3.978 0 50 EHAA O=C(c1ccc(C(F)(F)F)nc1)N1CCC(C(F)(F)F)CC1 173469695 DEJLRBYOBXIWNL-UHFFFAOYSA-N 326.240 3.515 0 50 EHAA CCOc1ccc(-c2c[nH]c(-c3nccn3CC)n2)cc1OCC 67723090 XDZSWVWDNUSHKP-UHFFFAOYSA-N 326.400 3.758 0 50 EHAA C/C(=C\c1ccco1)CN1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 67947811 CDMQEUUBRUCINH-IUYQLWOBSA-N 340.423 3.988 0 50 EHAA CC(C)Oc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 30940250 VQOPSXIGMZMUDA-UHFFFAOYSA-N 335.407 3.971 0 50 EHAA CC(=O)NCC1CCN(Cc2ccc(-c3ccccc3F)cc2)CC1 77505505 NBHBKYORIAKHIC-UHFFFAOYSA-N 340.442 3.841 0 50 EHAA CCCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2O)c1C 123523775 DDHCCJIYDNKXMB-UHFFFAOYSA-N 330.359 3.831 0 50 EHAA O=C(Nc1c[nH]nc1-c1ccccc1F)[C@@H]1CCCc2cccnc21 253393053 WQLGDMRSTZJKGZ-CQSZACIVSA-N 336.370 3.669 0 50 EHAA Cc1cc2nc(-c3ccccc3)cc(N3CCc4ncccc4C3)n2n1 72447537 UHWSJVGKNHMHRC-UHFFFAOYSA-N 341.418 3.662 0 50 EHAA C[C@H](NC(=O)c1ccn2ccnc2c1)c1ccc(OC(F)(F)F)cc1 152676435 LZUACUQMYHAZRZ-NSHDSACASA-N 349.312 3.724 0 50 EHAA Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)s1 257365817 QAWMKRMGHRCNKT-PMPSAXMXSA-N 343.496 3.874 0 50 EHAA Cc1ccc2c(c1)C(=O)N(C)[C@H](c1c(C(C)C)nn(C)c1Cl)N2 153667591 IEEVMGKWNVAWMN-MRXNPFEDSA-N 332.835 3.702 0 50 EHAA Cc1nc2ccc(NC(=O)N3CC4(CCCC4)c4ccccc43)cn2n1 333191974 OLYONISXYQGNEZ-UHFFFAOYSA-N 347.422 3.902 0 50 EHAA Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](c4ccccc4C)C3)cc2n1 77356119 UNFOQQJYPUHRKB-QGZVFWFLSA-N 348.450 3.674 0 50 EHAA COC(C)(OC)[C@@]1(C)C[C@H]2[C@H](C[C@@H](C)[C@@H]2OCc2ccccc2)C1=O 71786758 GIBXRTRXVGCMPZ-VTRWRZSMSA-N 346.467 3.832 0 50 EHAA Cc1cccc2c(CCNC(=O)[C@@H]3CCOc4ccccc4C3)c[nH]c12 95528113 ZLGSYOQEDWLOTG-QGZVFWFLSA-N 348.446 3.776 0 50 EHAA Cc1nccn1[C@H](C)C(=O)NCCCSc1ccc(Cl)cc1 426414268 GJFGZYOBYJWKNB-GFCCVEGCSA-N 337.876 3.705 0 50 EHAA Cc1cscc1C(=O)Nc1ccc(OCC(=O)O)c2ccccc12 237808264 BGQHXSUCTDNPPQ-UHFFFAOYSA-N 341.388 3.925 0 50 EHAA CN(C)c1nc(Cl)c(CN2CC[C@@H](c3ccc(F)cc3)C2)s1 97819512 UNMFCMPJKDGLHW-GFCCVEGCSA-N 339.867 3.991 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(-c2ccccc2)no1 294166623 CGAWINAQSWDWGX-JLSDUUJJSA-N 326.396 3.559 0 50 EHAA C[C@@H](NC/C=C/Cl)c1cc2c(cc1Br)OCCO2 180482565 VGJCRBSSXPCSEX-GKQMSVHHSA-N 332.625 3.623 0 50 EHAA Cc1cc(C)nc(N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)n1 244874716 XGAVRHOOGGLDPG-WDYCEAGBSA-N 334.423 3.566 0 50 EHAA CC[C@@H](c1ccccn1)N(C)Cc1nnc(-c2cccc(F)c2)o1 244691031 JBKBEHWMLDMTCE-INIZCTEOSA-N 326.375 3.854 0 50 EHAA Cc1ccc2[nH]c(C(=O)N3CC(C)(C)[C@H]3c3nccn3C)cc2c1C 296011339 WIULYBBDSMPBSR-QGZVFWFLSA-N 336.439 3.742 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1ccsc1 182395529 IBXKXVSLXFRVSB-OAHLLOKOSA-N 332.473 3.915 0 50 EHAA Nc1cc(OC(F)(F)F)cc(Br)c1Br 263625187 XNZGMMLCASLQSY-UHFFFAOYSA-N 334.917 3.692 0 50 EHAA Cc1ccc2nc(CN3CCCC[C@H]3c3nccs3)nc(N)c2c1 299773549 DDRWIHPXOBCUML-HNNXBMFYSA-N 339.468 3.704 0 50 EHAA CCc1ccc(Cn2nc(C[C@@H](C)CC)nc2C2(CO)CC2)cc1 822620066 WWNCLHBFFUMKNG-HNNXBMFYSA-N 327.472 3.501 0 50 EHAA CCCOc1ccccc1[C@@H](C)NC(=O)N1CCC(CCOC)CC1 584891305 VQGNHMXQFVINCH-MRXNPFEDSA-N 348.487 3.995 0 50 EHAA CCCN1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CCCC2)C1 584901886 LOXXLLIRHAHEDD-GOSISDBHSA-N 329.488 3.625 0 50 EHAA C[C@H]1C[C@@H](C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)CCC1=O 677887404 BRDVRVDENYYTTO-STQMWFEESA-N 348.406 3.569 0 50 EHAA Cc1c([C@@H](NC(=O)N2C[C@@H](C)[C@H](CO)C2)C(C)C)oc2ccccc12 188872172 YFBVVNAOJMUIHK-XUWXXGDYSA-N 344.455 3.708 0 50 EHAA O=C(Nc1ccsc1Cl)N1CCSC2(CCOCC2)C1 189401829 HKKTUFFAABURNB-UHFFFAOYSA-N 332.878 3.531 0 50 EHAA CCN(C[C@H]1CCCO1)C(=O)Nc1ncc(Cc2ccccc2)s1 194843235 SGWJUTROOVYORX-OAHLLOKOSA-N 345.468 3.767 0 50 EHAA NC(=O)c1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 376051 NYGKUPCMZOEZBP-CMDGGOBGSA-N 335.190 3.744 0 50 EHAA COc1ccc(-c2n[nH]c(=S)n2-c2ccc(C)cc2)cc1OC 5687772 ZPDHCCBLCVTLJR-UHFFFAOYSA-N 327.409 3.923 0 50 EHAA Cc1ccc2oc(C(=O)N3CCN(c4cccc(C)n4)CC3)c(C)c2c1 12507345 KHBVEHUHNYHRBY-UHFFFAOYSA-N 349.434 3.715 0 50 EHAA COc1cccc(-c2nc(CC(=O)Nc3ccc(C)c(C)c3)no2)c1 16578862 ZLVGXIBZLKRWSF-UHFFFAOYSA-N 337.379 3.543 0 50 EHAA Cc1ccc(-c2nc([C@@H]3CC(=O)N(C4CCCCC4)C3)no2)cc1 169764622 GPZXMSUWAQKZFJ-OAHLLOKOSA-N 325.412 3.694 0 50 EHAA CCC(CC)n1ncc(C(=O)N[C@H]2c3cccc(F)c3O[C@@H]2C)c1C 240333681 FESAQEUZCQQZRW-SJKOYZFVSA-N 345.418 3.944 0 50 EHAA CC(C)c1ccc(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc1Cl 375511956 QGNXTHGBWQDDHA-CYBMUJFWSA-N 332.835 3.601 0 50 EHAA Cc1cc(-c2noc(C(F)(F)C3CCNCC3)n2)nc2ccccc12 904689878 LUUQTEGYDPBHMV-UHFFFAOYSA-N 344.365 3.685 0 50 EHAA FC1(CNc2nc(-c3ccccn3)nc3sccc23)CCOCC1 1875269395 OGGIGXNDYSJVGW-UHFFFAOYSA-N 344.415 3.684 0 50 EHAA Oc1cc(N2CCC[C@@H](c3ccc(F)c(F)c3)C2)c2ccncc2n1 1875294113 AMTXDUQDCNCADQ-CYBMUJFWSA-N 341.361 3.998 0 50 EHAA CO[C@@H]1C[C@@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1(C)C 1875298954 TVPBWFCUNDFLCB-SWLSCSKDSA-N 347.846 3.521 0 50 EHAA Cc1oc(C(C)(C)C)cc1CN1C[C@H](Cn2cnnc2)C2(CCC2)C1 1875404399 HSDHXKGMWDPGLV-QGZVFWFLSA-N 342.487 3.779 0 50 EHAA N[C@@H]1C[C@@H]2CC[C@@]1(NC(=O)Cc1cc3c(ccc4ccccc43)o1)C2 2325792303 UGLZSWKCQOVEKS-DRWCTHJISA-N 334.419 3.515 0 50 EHAA O=S(=O)(Nc1cccc2c1OCCC2)c1sccc1C1CC1 2325866788 ZVUYZRSXOGXOGU-UHFFFAOYSA-N 335.450 3.751 0 50 EHAA O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(F)cc1 360621 SHDGRMDEWUAVQX-UHFFFAOYSA-N 334.778 3.568 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1 470518 YFRAQPPBUSDPCE-UHFFFAOYSA-N 337.404 3.956 0 50 EHAA O=C(c1cccc(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1 474520 FGXWLABRNWBSFY-UHFFFAOYSA-N 335.234 3.956 0 50 EHAA Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNCc2ccco2)CCCC1 571513 MBTWEJUGMXHIQX-INIZCTEOSA-N 338.451 3.572 0 50 EHAA Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 609760 YEWMOCUANBHQPU-AWEZNQCLSA-N 342.826 3.948 0 50 EHAA O=C(CSc1ccccc1)Nc1ccccc1C(=O)N1CCCC1 1152861 HQNUGVMLGRPTKN-UHFFFAOYSA-N 340.448 3.653 0 50 EHAA Cc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NC(C)C)cc1 2677851 VOYRIZZMXNGWAO-UYRXBGFRSA-N 336.435 3.599 0 50 EHAA Cc1cc(C)c2nc3s/c(=C\c4cc(C)c(C)cc4C)c(=O)n3c2c1 2915083 QEKWGBSUWALJLF-ZDLGFXPLSA-N 348.471 3.999 0 50 EHAA O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccco1 4703787 MDXUYPBSQXODJC-UHFFFAOYSA-N 349.342 3.534 0 50 EHAA CC(=O)Nc1ccc(C(=O)OCc2cccc(Br)c2)cc1 4858172 GEIUJCUMUFYYGC-UHFFFAOYSA-N 348.196 3.765 0 50 EHAA Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(F)c2)CC1 6710537 NSJDIIBHIXTDNW-UHFFFAOYSA-N 332.806 3.750 0 50 EHAA Cc1sc2ncnc(N[C@@H]3CCN(Cc4ccccc4)C3)c2c1C 7980961 VSXRMURGJRAOCU-MRXNPFEDSA-N 338.480 3.995 0 50 EHAA in-vitro CCn1c(C)c(C(=O)CN2C(=O)COc3ccccc32)c2ccccc21 10008347 OOCCESSGUYPVBR-UHFFFAOYSA-N 348.402 3.578 0 50 EHAA C[C@@H](c1ccco1)N1C(=O)CC[C@H]1CCNCc1ccc(F)cc1 11784070 QZPHZCTYLSLPIU-YOEHRIQHSA-N 330.403 3.651 0 50 EHAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@@H](CC1=O)C2(C)C 13555930 SFTIHICVYHNPDM-TUXXCZFBSA-N 329.415 3.889 0 50 EHAA CCNC(=O)c1sc2ncnc(N[C@@H](C)c3cccs3)c2c1C 14972652 LQYMZZDGTOZLNF-JTQLQIEISA-N 346.481 3.984 0 50 EHAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN1CCc2ccccc2C1 17186453 OTTUUPAQKHWADJ-YCZSINBZSA-N 345.527 3.883 0 50 EHAA Cc1ccccc1N1CCN([C@H]2CCCN(C3CCCC3)C2)CC1 19635590 KGZNAOHDVRKGAE-FQEVSTJZSA-N 327.516 3.524 0 50 EHAA Cc1ccc(CN2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 20367210 BMBIRQHXDFFFAM-UHFFFAOYSA-N 346.833 3.746 0 50 EHAA COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1 36620660 XRIVSUVDDDNJEX-QGZVFWFLSA-N 342.370 3.981 0 50 EHAA Cc1ccc(-c2nn3c(NC[C@H]4CCCO4)cc(C)nc3c2C)cc1 40216951 MFIAHKRFOBJSGJ-QGZVFWFLSA-N 336.439 3.912 0 50 EHAA CC(C)Cc1cc(=O)[nH]c(-c2ccccc2CN(C)CC(C)C)n1 48234118 PHMQJXCJHXJURG-UHFFFAOYSA-N 327.472 3.723 0 50 EHAA CC(C)[C@@H](C)NC1CCN(c2ccc(N3C(=O)CC[C@H]3C)cc2)CC1 55131678 XLGRDSGJCNCQGY-IAGOWNOFSA-N 343.515 3.805 0 50 EHAA Cc1ccc2nc(C)c(C(=O)N3CCC([C@H](O)C(C)C)CC3)cc2c1 55226213 MHVGZOUUEHFMFQ-HXUWFJFHSA-N 340.467 3.721 0 50 EHAA O=C(c1ccc(Oc2ccccc2)o1)N1CCC2(CCCO2)CC1 71715361 QEPQHHLYLBXIGU-UHFFFAOYSA-N 327.380 3.857 0 50 EHAA Cc1nc(CC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cs1 77488276 CRPWHIODCRWENW-UHFFFAOYSA-N 345.855 3.714 0 50 EHAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H](C)Oc1cccnc1 153258964 UVGHKUUKDXXNCP-KBPBESRZSA-N 347.484 3.957 0 50 EHAA CSCCc1ccc(NC(=O)c2cc(F)c(F)c(O)c2F)cc1 185790489 CNVAIVQTRBGCHU-UHFFFAOYSA-N 341.354 3.967 0 50 EHAA CC(C)c1c(NC(=O)c2ccnn2C)cnn1-c1ccccc1Cl 192158757 MWSYDWIVWLMMKN-UHFFFAOYSA-N 343.818 3.635 0 50 EHAA CC[C@H](NC(=O)c1cccc(-c2cccc(OC)c2)c1)C1CC(O)C1 219717003 CLUUKOYJIZUDPP-QLOJAFMTSA-N 339.435 3.642 0 50 EHAA COc1ccc(C2(C(=O)NCCCc3ccncc3)CCCC2)cc1 222300892 CPIFMMDAKQVHAA-UHFFFAOYSA-N 338.451 3.651 0 50 EHAA Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2cc(C3CC3)[nH]n2)cc1 222671861 UAVVQTBUPPJGOT-ZDUSSCGKSA-N 329.469 3.735 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 237491808 KAZFBJCDLHBSKX-OIMNJJJWSA-N 341.282 3.683 0 50 EHAA O=C(CCC1CCNCC1)Nc1ncc(Cc2ccc(F)cc2)s1 237805121 SGQMEBFZIVMIEB-UHFFFAOYSA-N 347.459 3.591 0 50 EHAA O=C(O)C1CCN(CC(Cc2ccccc2)Cc2ccccc2)CC1 263440694 WIZFWNUXIWBMOS-UHFFFAOYSA-N 337.463 3.885 0 50 EHAA Cc1csc(CN(Cc2ccsc2)[C@H]2CC23CCNCC3)n1 275698389 NHKNDRABQHTLKM-HNNXBMFYSA-N 333.526 3.657 0 50 EHAA CC[C@@H](NC(=O)[C@@H]1CCn2c(cnc2C)C1)c1ccc(Cl)cc1 289365927 JNKDPMJBFVTHFO-RHSMWYFYSA-N 331.847 3.675 0 50 EHAA CC[C@](C)(OC)c1noc([C@H]2CC(=O)N(c3ccccc3Cl)C2)n1 290188429 UIRUXZYEMNXCLG-GTNSWQLSSA-N 349.818 3.515 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)c2ccccc2OC2CCCCC2)C1 299738552 CEELBMBGKINAHO-JKSUJKDBSA-N 330.472 3.598 0 50 EHAA Cc1ccc(F)c(C(=O)NCCc2nc3c(s2)CCC3)c1Cl 299774800 GLSOKEFOHCJLEB-UHFFFAOYSA-N 338.835 3.705 0 50 EHAA Cn1c([C@@H]2CCCN2Cc2ccncc2Cl)nc2c1CCCC2 328625661 DKCYIQYIXXMBIL-KRWDZBQOSA-N 330.863 3.684 0 50 EHAA Cc1ccc(-c2noc([C@@H]3C[C@@]34CCOC4)n2)cc1N1CCCC1 329669811 MNKMGNDBLJMEEX-HNAYVOBHSA-N 325.412 3.539 0 50 EHAA O=C(c1ccccc1Oc1ccccc1)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 412801828 GJHZFIQTEOSDGE-BBWFWOEESA-N 337.419 3.712 0 50 EHAA CCn1cc(CN(C)Cc2cc(CN3CCCCC3)cs2)cn1 670473519 SCMORLJVBPWBJD-UHFFFAOYSA-N 332.517 3.582 0 50 EHAA CC(=O)N1CCC[C@H](c2nnc(C/C=C/c3ccc(F)cc3)o2)[C@@H]1C 886084544 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O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(F)cc1 360619 KWDNJIGETLELDE-UHFFFAOYSA-N 334.778 3.568 0 50 EHAA O=C(Nc1ncn(Cc2ccc(F)cc2Cl)n1)c1ccccc1F 2794218 NDYICZVZFZKWNN-UHFFFAOYSA-N 348.740 3.510 0 50 EHAA COc1ccc(-c2cc(C(N)=O)c3ccc(Cl)c(C)c3n2)cc1 2868137 UYSLQGQGIAWILS-UHFFFAOYSA-N 326.783 3.971 0 50 EHAA O[C@]12CCCC[C@@H]1[C@H](c1ccc(F)c(Br)c1)NCC2 4031354 ZJANSNICGZFVPW-UGFHNGPFSA-N 328.225 3.544 0 50 EHAA Cc1ccc(C(=O)N[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 4866515 QBIXYKWPAFAICT-IBGZPJMESA-N 336.435 3.525 0 50 EHAA CC(=O)Nc1cc(C(=O)Nc2ccc(Br)cc2)ccc1C 5049038 DOCZLESCSFLISS-UHFFFAOYSA-N 347.212 3.968 0 50 EHAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(F)cc1Cl 13323079 XDZXOYLMFCEJFU-UHFFFAOYSA-N 346.789 3.967 0 50 EHAA CCn1cc(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)cn1 15075325 MFRWJTPFCRLTHE-MRXNPFEDSA-N 329.419 3.527 0 50 EHAA c1cc(-c2nc3c(cnn3Cc3cccs3)[nH]2)cc(-n2cccn2)c1 19800337 HTTWQKWSDKBFGJ-UHFFFAOYSA-N 346.419 3.722 0 50 EHAA COc1cc2nc(N3CCCCCC3)cc(C)c2c(OC)c1OC 23634406 MDXYDKIEOWHVGN-UHFFFAOYSA-N 330.428 3.949 0 50 EHAA CCc1sc(C(=O)O)cc1-c1cccc(CN2CCOCC2)c1 32573479 IJJPKKRZSYWGGS-UHFFFAOYSA-N 331.437 3.508 0 50 EHAA C[C@@H](O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 35415696 SCPADBBISMMJAW-AHUYWTNDSA-N 336.516 3.502 0 50 EHAA CC(C)[C@H](NC(=O)c1ccccc1C(F)(F)F)C1=CCCN(C)C1 67982336 MERJUVWUCFNEJW-INIZCTEOSA-N 340.389 3.722 0 50 EHAA CC(C)N(C)CCC(=O)N1CCC[C@H](CCc2ccccc2F)C1 71721542 UGSNNBONQVEZGJ-QGZVFWFLSA-N 334.479 3.727 0 50 EHAA CNC(=O)c1ccc(CN2CCC[C@H](CCc3ccc(F)cc3)C2)o1 72145425 VNNMEDZMGGRBDO-MRXNPFEDSA-N 344.430 3.623 0 50 EHAA CN(Cc1ccc(-c2ccccc2)s1)CC1(CO)CCOCC1 72169498 KVODLWBVYRTINW-UHFFFAOYSA-N 331.481 3.636 0 50 EHAA CC(C)n1ccnc1CN1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 77407500 MAEPMPILBHNLDF-INIZCTEOSA-N 327.407 3.817 0 50 EHAA Cc1ccsc1[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)N(C)C 91726159 FJRXOSIMOOTGKH-INIZCTEOSA-N 346.471 3.646 0 50 EHAA CC(C)n1ccnc1C1CCN(c2ncnc3sccc23)CC1 95362548 NGDFIGBDIRCTAF-UHFFFAOYSA-N 327.457 3.853 0 50 EHAA C[C@H]1c2cc(F)ccc2CCN1C(=O)c1ccccc1-c1ncc[nH]1 97758013 ZARRJTPYVYOYEF-ZDUSSCGKSA-N 335.382 3.975 0 50 EHAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O 109667674 SUZHLFPAWCNOMD-SFHVURJKSA-N 349.434 3.873 0 50 EHAA Cc1c(CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)oc2ccc(F)cc12 119487345 TYORRBCAGYDNBP-YOEHRIQHSA-N 346.402 3.637 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C)c(C)c1 152571487 CZRKBQPRJNLWKU-UHFFFAOYSA-N 341.436 3.598 0 50 EHAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CSCCS1 153082664 JZIMWBBJQIYSLJ-RYUDHWBXSA-N 344.571 3.943 0 50 EHAA Cc1ccc(CC(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1 169754801 STAXRASYYAINLV-UHFFFAOYSA-N 341.455 3.525 0 50 EHAA COc1ccc([C@H]2CCCN2C(=O)CSC[C@H]2CCCCO2)cc1 171357007 NVJDKLPFLGOFBW-QZTJIDSGSA-N 349.496 3.661 0 50 EHAA CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCCC(C)(C)CC2)c1 175683162 JDWLCIHOLZKOPS-CQSZACIVSA-N 347.459 3.704 0 50 EHAA O=C(C[C@@H]1C=CCCC1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 189043899 CUXPRCSXJVUEDR-ZIAGYGMSSA-N 341.377 3.812 0 50 EHAA C[C@@H](c1nc(C2CC2)no1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229253145 OTTKQDGJAIUGEY-XHDPSFHLSA-N 333.819 3.735 0 50 EHAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1 237969137 FAICWBVEFUUSEK-NSHDSACASA-N 334.803 3.538 0 50 EHAA C[C@@H]1[C@H](OC(=O)c2ccc(Cn3cncn3)cc2)C[C@H]2C[C@H]1C2(C)C 242191298 XEMWVKWEEOSQQJ-OKDNKWQNSA-N 339.439 3.554 0 50 EHAA Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1C 242347000 ZKYTZJLVXBFHCW-HCXYKTFWSA-N 342.483 3.963 0 50 EHAA COC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)c2ccccc21 248041856 MDWJQIDHXRKAMM-CEXWTWQISA-N 349.430 3.792 0 50 EHAA ClC1(Cl)[C@@H]2C[C@H]3[C@@H](C[C@H]21)C3(Br)Br 257356552 IYBTUQYJFCIAQN-JGWLITMVSA-N 334.866 3.932 0 50 EHAA Cc1ccc(CN(C(=O)c2ccc(C(=O)O)cc2F)C(C)C)s1 262418913 QFVKPSLJDBDCRV-UHFFFAOYSA-N 335.400 3.945 0 50 EHAA O[C@@H](c1ccncc1)c1ccc2c(c1)CN(Cc1ccccc1)CCO2 299769295 WHOREHNOGYXYOY-QFIPXVFZSA-N 346.430 3.558 0 50 EHAA CN(CCC[C@@H]1CCCO1)C(=O)c1cc2cccc(Cl)c2n1C 299771958 YEFFXTGUQRNNOD-CQSZACIVSA-N 334.847 3.863 0 50 EHAA CN(C/C=C/c1ccc(F)cc1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328634400 MTRPVRHLFAMOFQ-CFQKCQFKSA-N 339.458 3.859 0 50 EHAA CN(C)Cc1cnc(CN(C2CC2)[C@@H]2CCc3ccccc32)s1 347644353 UVBHGOJMIXHEMO-GOSISDBHSA-N 327.497 3.857 0 50 EHAA CCCOc1c(Cl)cc(CN2CC([C@@H]3CCOC3)C2)cc1OC 365559720 IRMCYJXQPYXLND-CQSZACIVSA-N 339.863 3.606 0 50 EHAA Cc1ccc(F)c(N2CCC(NC(=O)c3cc[nH]c3C3CC3)CC2)c1 376124863 HGNKBIQUSZQRHT-UHFFFAOYSA-N 341.430 3.738 0 50 EHAA CCC[C@@H]1COCCN1C(=O)c1ccc(-c2ccc(F)cn2)cc1 426442953 NEEWKJWBDHOCCD-QGZVFWFLSA-N 328.387 3.529 0 50 EHAA O=C1CCc2cc(C(=O)N[C@H]3CCCCC34CCCC4)c(F)cc2N1 462420302 UUFINDWXSSYKFD-KRWDZBQOSA-N 344.430 3.943 0 50 EHAA CCC(=O)N(c1ccccc1)C1CCN(CCc2ccco2)CC1 601032716 AFTQVAQNGJXATO-UHFFFAOYSA-N 326.440 3.730 0 50 EHAA in-vitro Cc1cc(CNc2cnc3c(c2)COCC3)sc1Br 685939751 GEXLDVISVRPALR-UHFFFAOYSA-N 339.258 3.899 0 50 EHAA Cc1cc(C)n(CCN2CCC[C@H]2c2ncc(-c3ccccc3)[nH]2)n1 1775986650 KCSSNPOJOSVQBS-IBGZPJMESA-N 335.455 3.727 0 50 EHAA Cc1nc2ccccc2nc1-c1nccn1CCCNc1cccnc1 1857686182 LAPWFWWSZMZQJQ-UHFFFAOYSA-N 344.422 3.699 0 50 EHAA Cc1cc(SCc2cn(C[C@@H](C)CC(F)F)nn2)ccc1O 2325777290 SWNCZJPOAHYPLJ-JTQLQIEISA-N 327.400 3.876 0 50 EHAA O=S(=O)(NCCCc1cccc2ccccc12)c1ccccc1 2325842876 LSVNBJRUHUXQQC-UHFFFAOYSA-N 325.433 3.751 0 50 EHAA COc1ccc(CNC(=O)CSCc2ccccc2Cl)cc1 260463 XHOSNMTXPZAITB-UHFFFAOYSA-N 335.856 3.898 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccc(-c3csc(N)n3)cc2)cc1 444982 BZVPXBBIANXMJQ-UHFFFAOYSA-N 345.449 3.502 0 50 EHAA O=C(NC(=S)Nc1ccccc1)c1cccc(Br)c1 452187 UMYUCJFSCHBGPF-UHFFFAOYSA-N 335.226 3.576 0 50 EHAA O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 3953663 WXKWWESRYLDVBU-UHFFFAOYSA-N 331.803 3.821 0 50 EHAA CC(C)CNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 4506909 AZVCEACSRZSUBZ-UHFFFAOYSA-N 344.842 3.907 0 50 EHAA Cc1c(Br)cnc(Br)c1Br 7277640 ZVQAJINJCRPCNA-UHFFFAOYSA-N 329.817 3.678 0 50 EHAA COc1cccc2c1OCC(C(=O)OC[C@@H]1CCCC(F)(F)C1)=C2 225732047 JGKJWCSDKNYPQZ-GFCCVEGCSA-N 338.350 3.840 0 50 EHAA Cc1ccc(-c2nn3c(CN(C)Cc4ccccc4)nnc3s2)cc1 67239840 KLCLZAVIZJPURU-UHFFFAOYSA-N 349.463 3.793 0 50 EHAA CCN(C)C[C@@H]1CCN(C(=O)c2ccccc2NC2CCCCC2)C1 253418109 DZRFDDVEXCKCPB-KRWDZBQOSA-N 343.515 3.845 0 50 EHAA Cc1cccc(N2CCC(N3CCC[C@H](N4CCCC4)C3)CC2)c1C 20599849 DMDYETDBZAERDC-NRFANRHFSA-N 341.543 3.832 0 50 EHAA Cc1ncc(C)c(N2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)n1 67856029 LRCMXQMDWSGRND-GOSISDBHSA-N 347.466 3.791 0 50 EHAA COc1ccc(OC)c([C@H]2CCCN2Cc2ccc3cn[nH]c3c2)c1 120622456 DNFRJECCKCROGG-LJQANCHMSA-N 337.423 3.917 0 50 EHAA Cc1cnc(CNC(=O)CC(C)(C)CC(=O)c2ccccc2)s1 253431586 SLYNSNSMMPWTRT-UHFFFAOYSA-N 330.453 3.757 0 50 EHAA Cc1nc(CC(C)C)oc1C(=O)N[C@H]1c2cccc(F)c2O[C@H]1C 252500373 STNKSSJCPNLSSI-XHDPSFHLSA-N 332.375 3.573 0 50 EHAA C[C@H](NC(=O)NC1CCN(C(C)(C)C)CC1)c1cccc(F)c1F 126227379 XBQJFTWPVLRDAX-LBPRGKRZSA-N 339.430 3.588 0 50 EHAA O=C(Nc1scnc1-c1ccccc1)[C@H]1COc2ccccc2C1 241371305 MMHXNVZVRRSPSC-OAHLLOKOSA-N 336.416 4.000 0 50 EHAA COc1cccc(OC2CN(Cc3cccc(OC(F)F)c3)C2)c1 72144280 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C[C@@H]1C[C@H](NC(=O)NCC(C)(C)c2cccc(Cl)c2F)CCO1 274413296 OZUVIRFNXHLYLH-VXGBXAGGSA-N 342.842 3.623 0 50 EHAA C[C@@H](c1nc(C2CC2)no1)N1Cc2cccc(Br)c2C1 186916457 VQWHZVACWYVZNZ-VIFPVBQESA-N 334.217 3.786 0 50 EHAA Fc1ccc([C@@]2(CNc3nnc(C4CCC4)s3)CCOC2)cc1 19790988 AEOQXTWGGVXMTI-QGZVFWFLSA-N 333.432 3.715 0 50 EHAA Cc1ccc(N2C[C@@H](c3noc(-c4sccc4C)n3)CC2=O)cc1 169755357 BOYWTZMNHFHWQD-ZDUSSCGKSA-N 339.420 3.935 0 50 EHAA C[C@@H](C(=O)Nc1ccccc1F)[S@@](=O)CC=Cc1ccccc1 1857532154 LXMOIQUKGTWIBP-PSLXWICFSA-N 331.412 3.615 0 50 EHAA Cc1cc(Cl)ccc1C(=O)N(C)Cc1ccc([S@](C)=O)cc1 124621051 IRMXFRNHWCPELI-JOCHJYFZSA-N 335.856 3.658 0 50 EHAA O=C(N[C@@H](CCO)c1cccs1)c1ccc2ccc(Cl)cc2n1 761923390 JUUITQSIEMSUBU-ZDUSSCGKSA-N 346.839 3.803 0 50 EHAA O=C(O)C[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 901454862 YDOGLWGVNRZVFK-SECBINFHSA-N 349.736 3.686 0 50 EHAA CCc1nc([C@@H]2CCCCN2C(=O)c2cc3c(C)cccn3c2)no1 933230002 RMJRIXOKMYZKCG-HNNXBMFYSA-N 338.411 3.561 0 50 EHAA 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CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccccc1N(C)C 72453803 AEKPIKZYFRSGAG-UHFFFAOYSA-N 335.407 3.680 0 50 EHAA CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c1C 77376516 JRGIMLCYGCUVLR-OAHLLOKOSA-N 328.387 3.603 0 50 EHAA CC1=CC[C@@H]2CN(C(=O)c3cc(C)c4nc(N)sc4c3)C[C@@H]2C1 71764651 ZWDCMDSPGDOKLW-OCCSQVGLSA-N 327.453 3.615 0 50 EHAA O=C(Cc1ccc(O)c(Cl)c1)N1CCCC[C@H]1c1ccccn1 216427795 HMXGEFAMNBFXQY-INIZCTEOSA-N 330.815 3.737 0 50 EHAA O=C(O)c1cccc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 263391178 FGNMAAFLJJCBRX-CQSZACIVSA-N 327.346 3.939 0 50 EHAA COc1ccc(OC)c(-c2cc(C(N)=O)c3cc(Cl)ccc3n2)c1 17071618 KWNGVEDEHAHWMU-UHFFFAOYSA-N 342.782 3.671 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)NCCSc2ccccc2)no1 43862202 IKTJSUMULRIKBC-MRXNPFEDSA-N 331.441 3.622 0 50 EHAA CCCOc1ccccc1CN1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 426429851 SGZKYSCDLVDIJP-YSIASYRMSA-N 333.472 3.634 0 50 EHAA Cc1cc(C)c([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)cc1C 221032665 MRDDWYJJPJNRBG-HOCLYGCPSA-N 333.428 3.789 0 50 EHAA 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COc1ccc2[nH]c(CNCCCn3ccnc3C(C)C)c(C)c2c1 952983295 JXEHMVIDOODZDT-UHFFFAOYSA-N 340.471 3.985 0 50 EHAA FC(F)(F)c1ccn([C@H]2CCCN(C3Cc4ccccc4C3)C2)n1 170593901 MAAIKHLXNJLXON-HNNXBMFYSA-N 335.373 3.706 0 50 EHAA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@@H]3CCO[C@@H]3C(C)C)nc2c1 277332348 FDTUCIXWWBNBKC-FHLIZLRMSA-N 341.455 3.596 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc([C@@H]2C[C@H]2C)o1 190424300 GVUNRNNFCPEDJA-KBEGMRNHSA-N 329.444 3.629 0 50 EHAA Cc1ccc(N2CCC(N[C@@H](CC(=O)O)c3ccccc3)CC2)cc1 1506397617 USXHVXJANWZIKV-FQEVSTJZSA-N 338.451 3.769 0 50 EHAA CCCCNC(=O)CN(C)c1ccnc2c(C(F)(F)F)cccc12 1529172310 DOQYVKWRWWIMLK-UHFFFAOYSA-N 339.361 3.606 0 50 EHAA Cc1ccc(SCCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 2076551 INIKDEFHWICCSQ-WEVVVXLNSA-N 341.432 3.645 0 50 EHAA O=C(c1sccc1Cl)N1CCCN(CC[C@H]2CC2(F)F)CC1 1772712573 URBLEDFZHZHPIN-NSHDSACASA-N 348.846 3.595 0 50 EHAA Cc1ccc(-n2nnc(-c3nnc(-c4ccccc4)o3)c2C)c(C)c1 12274028 MCCQWBVVUZBSCA-UHFFFAOYSA-N 331.379 3.910 0 50 EHAA Cc1nn(Cc2ccccc2F)c(C)c1NC(=S)NCC(C)C 13329363 MQCOLPMCFGGCSG-UHFFFAOYSA-N 334.464 3.630 0 50 EHAA CCc1cccc(C)c1NC(=O)c1nnn(-c2cc(C)cc(C)c2)c1N 16625934 YMUNSKFHCKRCMI-UHFFFAOYSA-N 349.438 3.589 0 50 EHAA Fc1ccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)cc1 169775571 ZKFFIMDDDYLXJC-UHFFFAOYSA-N 347.353 3.945 0 50 EHAA COc1ccc(C2CCN(C(=O)Cc3ccc(Cl)cn3)CC2)cc1 225811022 AVDLHEMCIRRLQV-UHFFFAOYSA-N 344.842 3.692 0 50 EHAA CCOc1cc(Cl)ccc1NC(=O)[C@@H]1OCCc2ccccc21 124450554 WICASTHGPBQOOQ-QGZVFWFLSA-N 331.799 3.991 0 50 EHAA CC(=O)N(C)c1ccc(NC(=O)c2cc(F)cc3cccnc23)cc1 163077792 NRQVEPNLTDQYLV-UHFFFAOYSA-N 337.354 3.609 0 50 EHAA Cc1ccc2c(C(=O)NCCn3cnnc3C(C)C)c(C)ccc2c1 933187797 NSRUQRMYWHISLE-UHFFFAOYSA-N 336.439 3.602 0 50 EHAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(Cl)c2occc12 933507806 AWZOFXLBTYFBEY-JTQLQIEISA-N 345.830 3.798 0 50 EHAA COc1ccc(COCCN2CCC[C@@H]2c2cncc(C)c2)cc1 879748075 YCSOKONOWVQPOT-HXUWFJFHSA-N 326.440 3.752 0 50 EHAA CCc1ccc(CC)c(S(=O)(=O)Nc2cc(C)ccc2OC)c1 616499 RGSDNVMGJFSHHQ-UHFFFAOYSA-N 333.453 3.929 0 50 EHAA Cc1cc(C)c2c(n1)nn1c(NCCc3ccccc3)cc(C)nc21 2442866 MHKIPJPLURJCNY-UHFFFAOYSA-N 331.423 3.857 0 50 EHAA Cc1[nH]nc2ncc(CN3CC[C@@H](c4cn(C)c5ccccc45)C3)cc12 2325720313 QCGIDPLSRDFKBF-MRXNPFEDSA-N 345.450 3.748 0 50 EHAA CC(C)(C)c1coc(CNC(=O)Nc2cccc([C@]3(C)CCO3)c2)n1 2325804085 UTMCXWHZBSTGNO-IBGZPJMESA-N 343.427 3.929 0 50 EHAA CC1CCC(O)(CNC[C@H](O)c2ccc(-c3ccccc3)cc2)CC1 2325852735 QOGUWLZRIAQAKK-LPBNZCGVSA-N 339.479 3.918 0 50 EHAA C[C@H]1Cc2cc(CCNCc3cn4cc(Cl)ccc4n3)ccc2O1 2325857917 USBXOJLYITVXLD-ZDUSSCGKSA-N 341.842 3.643 0 50 EHAA COc1ccc([C@H]2OC(=O)C(C)(C)C(=O)C23CCCCC3)cc1OC 36858 DHRJYAMTGHFEID-MRXNPFEDSA-N 346.423 3.848 0 50 EHAA CCN(CC)C(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 573576 QZLPVURDKGBALW-UHFFFAOYSA-N 334.419 3.741 0 50 EHAA CC(=O)Nc1cc(NC(C)=O)cc(-c2nc3ccccc3s2)c1 4512094 ZAJOWEFZBLYVQF-UHFFFAOYSA-N 325.393 3.880 0 50 EHAA O=C(Nc1ccc2[nH]ncc2c1)c1c(F)c(F)c(F)c(F)c1F 6700541 IBZXTMSHPWACJH-UHFFFAOYSA-N 327.212 3.511 0 50 EHAA C[C@H](Oc1ccccc1Br)C(=O)Nc1cccc(O)c1 6746609 ASZRFTWPMWKIHY-JTQLQIEISA-N 336.185 3.561 0 50 EHAA CCCCc1ccc(-n2nnc(C(=O)NC3CCCC3)c2C)cc1 8021722 VFKRXGWGHJANEX-UHFFFAOYSA-N 326.444 3.591 0 50 EHAA CN(C)CCN(Cc1ccsc1)Cc1ccc2cccc(O)c2n1 55120119 IXIBXYATZKOXCQ-UHFFFAOYSA-N 341.480 3.566 0 50 EHAA Cc1ccccc1CN1CCN(C2CCCCCC2)C[C@H]1CCO 104342014 NUCZWUZBBUVJOV-OAQYLSRUSA-N 330.516 3.586 0 50 EHAA C[C@H](c1ccco1)N(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 67447012 ZUKCCRNQBFLHEU-GFCCVEGCSA-N 343.358 3.554 0 50 EHAA CC(=O)c1cccc(CN2CCC[C@H](N3CCc4ccccc4C3)C2)c1 20906694 ZEFFUBUZTGTKRV-QHCPKHFHSA-N 348.490 3.912 0 50 EHAA O=C(c1cccnc1-c1cnc2ccccc2c1)N1C[C@H]2CC[C@@H]1C2 65533535 LZTUZIUAYWPLGT-WMLDXEAASA-N 329.403 3.921 0 50 EHAA Cc1ccc2c(=O)n(CCC3CCN(C4CCCC4)CC3)cnc2c1 32541473 NFAPSLRPNGTCGC-UHFFFAOYSA-N 339.483 3.750 0 50 EHAA Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](n3ccnc3C)C2)s1 229432756 BOOSFBOXDRPPFZ-OAGGEKHMSA-N 329.469 3.529 0 50 EHAA Cc1ccc(CN(C)C(=O)N[C@@H]2CCCc3cc(F)ccc32)nc1 252491988 MASNKYQQTYYQFK-GOSISDBHSA-N 327.403 3.748 0 50 EHAA O[C@H](CN1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1Cl 229912910 JUKXMLWUCHXNJI-CZUORRHYSA-N 347.846 3.513 0 50 EHAA Cc1cc(C)c(C(=O)N2CCC[C@]3(C2)C(=O)Nc2ccccc23)cc1C 72149112 UIOPHCNYURELQF-JOCHJYFZSA-N 348.446 3.738 0 50 EHAA Cc1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1C 77420736 PWSVAOORYPDCQK-NRFANRHFSA-N 326.484 3.670 0 50 EHAA Cc1ccc([C@@H]2CCCCCN2C(=O)NC2CCN(C3CC3)CC2)o1 155791016 GLJHJUWHZAGSJD-SFHVURJKSA-N 345.487 3.842 0 50 EHAA CCCO[C@H]1CCCN(C(=O)Nc2ccnn2[C@H](C)C2CC2)CC1 156574765 JLSZFUGHQRTLOE-ZBFHGGJFSA-N 334.464 3.667 0 50 EHAA CCc1cc(N2CCC[C@H](CCCOC)C2)n2nc(C)c(C)c2n1 72430126 IVCIGNNSPPEGES-MRXNPFEDSA-N 330.476 3.552 0 50 EHAA CSC[C@@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 72481158 RMXRIVAEXQCZAK-MRXNPFEDSA-N 335.513 3.605 0 50 EHAA CCNc1ncc(CN(C)CC2(N3CCCCC3)CCCCC2)cn1 72481125 JQIHXOLAIXYFJB-UHFFFAOYSA-N 345.535 3.529 0 50 EHAA O=C1Nc2ccccc2[C@@]12CCCN(Cc1cc3ccccc3[nH]1)C2 72164402 BQQGUHPTBSTXHP-NRFANRHFSA-N 331.419 3.654 0 50 EHAA O=C(c1cnc(-c2ccncc2)s1)N(CC(F)(F)F)C1CCC1 175965610 WRGSNCGLPYBYIT-UHFFFAOYSA-N 341.358 3.762 0 50 EHAA COCc1ccc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)o1 19223058 LVPKYLJFCYRSQB-GOSISDBHSA-N 328.456 3.522 0 50 EHAA c1ccc(-c2nc(CN(Cc3ccco3)C[C@H]3CCCO3)c[nH]2)cc1 179586643 PYVJNARPWHFPET-LJQANCHMSA-N 337.423 3.851 0 50 EHAA Cc1nccn1CC1(Cn2cc(-c3ccc4occc4c3)nn2)CC1 92066173 DNKYIDIQEYADKH-UHFFFAOYSA-N 333.395 3.677 0 50 EHAA COCC[C@@H]1CN(Cc2cccc(Oc3ccccc3)c2)CCO1 97468067 DSHIOAXQTMXNQH-HXUWFJFHSA-N 327.424 3.716 0 50 EHAA C[C@H](CCc1ccco1)NC(=O)c1cnc(Nc2ccccc2)nc1 91896556 ZUEDSXCAZWEDKV-CQSZACIVSA-N 336.395 3.564 0 50 EHAA CCn1ncc(-c2ccccc2C(=O)N(C(C)C)C(C)C)c1C(=O)O 534661257 UPNGJWOCXFGCIU-UHFFFAOYSA-N 343.427 3.527 0 50 EHAA Cc1cc(C)c(NC(=O)N(Cc2cccc(O)c2)C2CC2)c(C)n1 299768680 LTIGPBCLARVSTQ-UHFFFAOYSA-N 325.412 3.909 0 50 EHAA Cc1ccc(CN(C(=O)Nc2ccc3[nH]nnc3c2)C2CC2)s1 299780860 CKOIZFBSKZEYOM-UHFFFAOYSA-N 327.413 3.524 0 50 EHAA Cc1cc(C)n([C@H]2CCN(C(=O)Nc3ccc4ncccc4c3)C2)n1 299771800 UZTQQXRPYQGIJU-KRWDZBQOSA-N 335.411 3.527 0 50 EHAA NC[C@H]1CCCCN1C(=O)c1cccc(-c2cccc(Cl)c2)c1 299760050 QCOJXLSTHNVJKK-GOSISDBHSA-N 328.843 3.960 0 50 EHAA CCn1cc(C2CCN(C(=O)Nc3c(C)cccc3F)CC2)cn1 274133961 PURJBSXUCOQIAA-UHFFFAOYSA-N 330.407 3.762 0 50 EHAA CC1(C)CC[C@@H](CNC(=O)Nc2ccccc2-c2ccncc2)O1 188934215 UZFYMYHNFAUPHJ-HNNXBMFYSA-N 325.412 3.828 0 50 EHAA O=C(C[C@H]1C=CCCC1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 189043877 CUXPRCSXJVUEDR-KBPBESRZSA-N 341.377 3.812 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)N[C@@H]1C[C@@H](C(=O)O)c2ccccc21 653330306 CRNFRWADMYJIOW-GDIGMMSISA-N 335.403 3.536 0 50 EHAA C[C@@H](C(=O)N1CCN(CC(F)(F)F)c2ccccc21)c1ccco1 673722743 CDKXXXUJAPVKIE-GFCCVEGCSA-N 338.329 3.799 0 50 EHAA O=C(Oc1ccc([C@@H]2CCOC2)cc1)c1ccnn1-c1ccccc1 791744598 LBBANOWZADMTDS-MRXNPFEDSA-N 334.375 3.595 0 50 EHAA O=C(Cc1ccc(CO)cc1)N1CCCC[C@H]1CCc1cccs1 1506396645 IWBNEJBVQAJFCB-SFHVURJKSA-N 343.492 3.797 0 50 EHAA CC(=O)NC(C)(C)C[C@@H](C)NCc1cc(Cl)ccc1OC(C)C 1506408233 QQOBQUIEQOILDM-CYBMUJFWSA-N 340.895 3.910 0 50 EHAA Cc1cccc(CN(CCc2ccccc2)CC2CCN(C)CC2)n1 12435744 WJBVISGHIIIXAS-UHFFFAOYSA-N 337.511 3.777 0 50 EHAA CCCn1ncc(C(=O)N[C@H]2CCCN(C3CCCCCC3)C2)c1C 12762391 FTYDIBGALGRREP-KRWDZBQOSA-N 346.519 3.519 0 50 EHAA CCc1c(O)nc(SCc2ccccc2)n(-c2ccccc2)c1=O 16513210 PEUURWCONUAIEX-UHFFFAOYSA-N 338.432 3.793 0 50 EHAA Cc1cnnn1-c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 16578782 XSWIKDODAHKEJZ-UHFFFAOYSA-N 346.312 3.847 0 50 EHAA CCCn1c(=N)n(C[C@H](O)c2ccc(Cl)cc2)c2ccccc21 19771502 VWIUXRLRHXNYCN-KRWDZBQOSA-N 329.831 3.719 0 50 EHAA O=C(/C=C/c1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 19792262 CRUOYHDEIBVPAS-ZHACJKMWSA-N 340.854 3.698 0 50 EHAA C/C=C/c1ccc(OCCOCCNCc2ccccc2)c(OC)c1 2822692 DLEXUJFWVGKLRM-XVNBXDOJSA-N 341.451 3.914 0 50 EHAA O=C(c1cccnc1-c1ccc(-c2cn[nH]c2)cc1)N1C[C@H]2CC[C@@H]1C2 1875246300 KWKUHNVXKULQHE-KBXCAEBGSA-N 344.418 3.763 0 50 EHAA CC(C)[C@@H](CNC(=O)N1CCC2(CCCCC2)C1)c1ccnn1C 239762515 CLUPKNTYVSEDMI-MRXNPFEDSA-N 332.492 3.526 0 50 EHAA O=C(Nc1ccccc1)C1CCN(c2cc(C(F)(F)F)ccn2)CC1 267341274 DOCHSIWBBXAPPE-UHFFFAOYSA-N 349.356 3.956 0 50 EHAA Cc1ccccc1-c1ccccc1C(=O)NCc1ncnn1C(C)(C)C 935837468 LSUMPEHTJAMSND-UHFFFAOYSA-N 348.450 3.939 0 50 EHAA CO[C@@]1(c2nnc(-c3ccc(C(F)(F)F)cc3Cl)o2)CCOC1 886086041 PNYKZTVQOVQJTL-ZDUSSCGKSA-N 348.708 3.671 0 50 EHAA O=C(O)[C@@H]1C=CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1775956394 VCDGXTGHQJFERB-IBGZPJMESA-N 349.386 3.651 0 50 EHAA Cc1cccc(CC(=O)Nc2c(Cl)nn(C)c2C(F)(F)F)c1 1775999342 KFZIJAHQDRMWSQ-UHFFFAOYSA-N 331.725 3.582 0 50 EHAA Cc1ccccc1C[C@@H](CO)CN[C@@H](CC(C)C)c1ccccn1 2325742211 PBXCTHXLVRZONA-NQIIRXRSSA-N 326.484 3.918 0 50 EHAA CN(C)CCn1ccc2ccc(-c3ccc4c(c3)COC(=O)N4)cc21 2325773391 SAZLSBITDUURDA-UHFFFAOYSA-N 335.407 3.932 0 50 EHAA Cc1cccc([C@@H](CN(C)C)NC(=O)c2ccc3cc(C)cn3c2)c1 2325856879 GZPSGPRGLZSHLN-HXUWFJFHSA-N 335.451 3.589 0 50 EHAA CC(C)[C@@H](N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 139439091 OWYDWUOOPZRGNZ-QGZVFWFLSA-N 341.842 3.754 0 50 EHAA CCc1nc2ccccc2n1C[C@H](O)COc1c(C)cc(C)cc1C 106860 GZZYTKJWRQEJEN-KRWDZBQOSA-N 338.451 3.964 0 50 EHAA O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 255420 YINQECRHQGYPSW-UHFFFAOYSA-N 341.169 3.501 0 50 EHAA COc1ccc2c(c1)CCc1c-2nc2ccccc2c1NCCN(C)C 407436 NCTOJOIQCBABRY-UHFFFAOYSA-N 347.462 3.983 0 50 EHAA Cc1cc(O[C@H]2CCCCC2=O)c2c3c(c(=O)oc2c1)CCCC3 407791 VPYVVRXNTFJWEK-INIZCTEOSA-N 326.392 3.871 0 50 EHAA COC(=O)[C@@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 2004886 RBNIGDFIUWJJEV-LLVKDONJSA-N 335.762 3.687 0 50 EHAA Fc1ccc(-n2ncc3c(NCCCc4ccccc4)ncnc32)cc1 8583011 ZVRCCUDQIPIVIQ-UHFFFAOYSA-N 347.397 3.999 0 50 EHAA aggregator COc1ccccc1N1CCN(Cc2ccc(SC)cc2)CC1 55065488 ZRWBLXCLXQYXAH-UHFFFAOYSA-N 328.481 3.739 0 50 EHAA CCc1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 20706845 GAXWNDAVOGSQQF-UHFFFAOYSA-N 336.479 3.526 0 50 EHAA Cc1cccc(CN2CCN(C(=O)c3nccc4ccccc34)CC2)c1 20452062 OYQAWRUWOHXZAF-UHFFFAOYSA-N 345.446 3.501 0 50 EHAA Cc1cc(C)c(NC(=O)CCN[C@@H](C)Cc2cccnc2)c(C)c1 65375013 JIRRYDZUGKHWHD-KRWDZBQOSA-N 325.456 3.556 0 50 EHAA Cc1ncsc1CN(Cc1cccc(Cl)c1)C[C@H]1CCNC1 328635286 NGDQDHSTASHMCI-HNNXBMFYSA-N 335.904 3.717 0 50 EHAA O=C(O)c1ccccc1[C@H]1CCN(C(=O)Nc2ccc(F)c(F)c2)C1 72156767 IUVOADUYMRCRLL-NSHDSACASA-N 346.333 3.684 0 50 EHAA C[C@H](c1cc2ccccc2o1)N(C)C[C@@H](O)c1ccc2c(c1)OCO2 229502791 HVMIASPINQGXDM-CZUORRHYSA-N 339.391 3.888 0 50 EHAA CSc1ccc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)cc1 219720255 QAPHTPXTIQXXER-QGZVFWFLSA-N 342.464 3.625 0 50 EHAA Cn1ncc2c(O)nc(N3CCCCC[C@@H]3/C=C/c3ccccc3)nc21 329618924 FCFWQDCXTNZBMM-LPQFERQCSA-N 349.438 3.531 0 50 EHAA C[C@@H](CCc1ccc(O)cc1)NC(=O)/C=C/c1ccnc(Cl)c1 152690847 NQXGHQMMAKHOOI-PPGNKHEKSA-N 330.815 3.591 0 50 EHAA CCOC[C@H]1CCCN1Cc1ccc(OC)c2cccc(OC)c12 215269297 CYIVPNAUVIXNMD-MRXNPFEDSA-N 329.440 3.858 0 50 EHAA O=C(c1ccccc1-c1ncc[nH]1)N1CC[C@@H](c2ccccc2F)C1 77377174 RRQCLHJYBMUKDW-CQSZACIVSA-N 335.382 3.846 0 50 EHAA Cc1cccc(OCC(=O)Nc2cccc(CN3CCCC3)c2)c1C 47452177 PNUXGSZZAOKMAH-UHFFFAOYSA-N 338.451 3.917 0 50 EHAA O=C(Nc1nc(CN2CCCCC2)cs1)c1ccnc(C2CC2)c1 341354696 BIHYICZVULCGAX-UHFFFAOYSA-N 342.468 3.654 0 50 EHAA Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c1C 263522479 HWZHEMRIMDVXFV-LSDHHAIUSA-N 327.380 3.547 0 50 EHAA Cc1ccc2c(c1)O[C@H](C)CN2C(=O)Cc1c(C)nn(C(F)F)c1C 178214980 UKPDVUGRTWIMCD-LLVKDONJSA-N 349.381 3.560 0 50 EHAA COc1ccc([C@H](C)NC(=O)c2ccc(-c3cc[nH]n3)cc2)cc1F 91985882 MGLAXBLZNPTLDD-LBPRGKRZSA-N 339.370 3.715 0 50 EHAA C[C@H](O)c1cccc(N2CCc3[nH]c4c(Cl)cccc4c3C2)n1 95501037 XYPUXUFMCMGINP-NSHDSACASA-N 327.815 3.832 0 50 EHAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(F)c(F)cc1Cl)C2 91846187 HJNLGWMMTHWNBW-VXGBXAGGSA-N 342.817 3.565 0 50 EHAA CC[C@@H](NC(=O)c1cc2cc(OC)ccc2n1C)c1cc(C)ccn1 91664536 SBWKVBYJQZDSNN-MRXNPFEDSA-N 337.423 3.771 0 50 EHAA O=C1[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]2C(=O)N1Cc1ccccc1 239121086 JHGHFJZNDJPHAA-CENDIDJXSA-N 331.415 3.611 0 50 EHAA Cc1cccc([C@@H](C(=O)NCc2cccc(OC(F)F)c2)N(C)C)c1 91593762 RUFLLOURZBSUJA-KRWDZBQOSA-N 348.393 3.516 0 50 EHAA CC(C)(C)OC(=O)Nc1cccc(F)c1I 253533589 RSCIBNJTUQCQBZ-UHFFFAOYSA-N 337.132 3.777 0 50 EHAA O=C(Cc1ccc2c(c1)CCO2)N[C@H]1CCCc2c1[nH]c1ccccc21 253401650 FTLRGKHCOXIBBK-IBGZPJMESA-N 346.430 3.839 0 50 EHAA biogenic Cc1cc(C)n(CCCN(C)Cc2ccc([C@@H]3CCCCO3)o2)n1 823709197 FKXCTPKDKUMDJT-SFHVURJKSA-N 331.460 3.857 0 50 EHAA COc1c(Cl)cccc1CNC(=O)N[C@H]1CCc2c(O)cccc21 1335518469 DOPFOKXHNAONGN-HNNXBMFYSA-N 346.814 3.541 0 50 EHAA CCCC[S@@](=O)Cc1nc(-c2ccc(Br)s2)no1 86968207 SQZCUHGGOQGOOV-SFHVURJKSA-N 349.275 3.609 0 50 EHAA C[C@H](C1CC1)n1cc(NC(=O)c2cnc(-c3ccco3)s2)cn1 186441675 NYCOQPTUQBDZTB-SNVBAGLBSA-N 328.397 3.823 0 50 EHAA CC[C@@H]1CN(C(=O)c2oc(CC(C)C)nc2C)c2ccccc2O1 188882104 OJHNSPQNJIEXTJ-CQSZACIVSA-N 328.412 3.999 0 50 EHAA Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCCc1cscn1 664480201 SYRBFZZCOQWFHV-MRXNPFEDSA-N 329.469 3.849 0 50 EHAA Cn1nnc2c(-n3ccnc3-c3c(F)cccc3Cl)cccc21 1772809490 XJYUWOONJAUPOD-UHFFFAOYSA-N 327.750 3.614 0 50 EHAA Cc1cccc2cc(-c3nccn3C[C@@H]3CC4CCN3CC4)c(O)nc12 1857684668 XMXTWTARMYQNJU-KRWDZBQOSA-N 348.450 3.597 0 50 EHAA O[C@H](Cn1ccnc1-c1ccc(CC(F)(F)F)cc1)c1cccnc1 1857686527 AFBACXXGNPRMRJ-MRXNPFEDSA-N 347.340 3.784 0 50 EHAA CCS(=O)(=O)c1ccccc1NC1CCC(OC(C)C)CC1 225521621 RHIXZKFOTLWXGN-UHFFFAOYSA-N 325.474 3.628 0 50 EHAA O=C([C@H]1CCC(O)=N1)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 328587141 UMJRMDSYSJQDLP-CQSZACIVSA-N 339.222 3.728 0 50 EHAA COc1ccc(CNC(=O)C2CCN([C@H]3CCC(C)(C)C3)CC2)cc1 347300415 DANPWJYCHUPJFD-SFHVURJKSA-N 344.499 3.602 0 50 EHAA CC(C)CCn1ncc(C(=O)N[C@@H](C)c2cccnc2)c1C(C)C 252484982 GLQIVDIWLQVEPA-HNNXBMFYSA-N 328.460 3.939 0 50 EHAA CC1(C)CC[C@@H](Sc2nnc(CNC(=O)OC(C)(C)C)o2)C1 496891564 LNOHKTNMSFTAHM-SNVBAGLBSA-N 327.450 3.765 0 50 EHAA COC(=O)c1cc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2n1 184369 ZTRQPFFLBBJSSH-UHFFFAOYSA-N 335.285 3.510 0 50 EHAA O=P(OCC(F)(F)C(F)F)(N1CCCCC1)N1CCCCC1 248632 CSZPPDDGXXZIIM-UHFFFAOYSA-N 346.305 3.983 0 50 EHAA O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccnc1 266859 ZVTWHPLBOAIGSQ-UHFFFAOYSA-N 331.331 3.848 0 50 EHAA O=C(COc1ccccc1Cl)Nc1ccccc1N1CCCC1 464321 BRANWGMTIGHJQF-UHFFFAOYSA-N 330.815 3.958 0 50 EHAA CCCCCCC(=O)C(CCCC)(C(=O)OCC)C(=O)OCC 4582749 KTJKEGZRCFPEHG-UHFFFAOYSA-N 328.449 3.829 0 50 EHAA CCOC(=O)C1CCN(CCCOc2cc(C)ccc2Cl)CC1 6702669 WKDOSNDFHSGNDX-UHFFFAOYSA-N 339.863 3.692 0 50 EHAA CC1(C)C[C@H](NS(=O)(=O)Cc2ccccc2F)c2ccccc2O1 10544188 OUZAHXYMFGHAHU-INIZCTEOSA-N 349.427 3.548 0 50 EHAA Cc1ccsc1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 9339124 TYARJNJWHKMTRT-CXAGYDPISA-N 328.437 3.802 0 50 EHAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 59740396 QXBJHHYCXUDMIQ-NSHDSACASA-N 340.826 3.702 0 50 EHAA Cc1cccc(-c2cccc(N3CCC(NCc4ncn[nH]4)CC3)c2)c1 20601215 GYXDBEFXBUZLCO-UHFFFAOYSA-N 347.466 3.539 0 50 EHAA COc1cc(I)cc(Br)c1Cl 67796597 GOVVRCZPILNXFE-UHFFFAOYSA-N 347.377 3.716 0 50 EHAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12 249697071 UDLCVVUVZHRAIT-VQTJNVASSA-N 339.483 3.576 0 50 EHAA C=CC(=O)NCc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cc1 110574235 UBNYPLWDFNWSSD-UXHICEINSA-N 348.446 3.555 0 50 EHAA Oc1ccc(CN2CCC(OCc3cccnc3)CC2)cc1Cl 72140113 DISSIGYPYSSRDO-UHFFFAOYSA-N 332.831 3.622 0 50 EHAA CC(C)C[C@@H](O)C1CCN(Cc2cnc(-c3cccs3)nc2)CC1 77519314 ZPMLMZGXENPGGU-QGZVFWFLSA-N 345.512 3.824 0 50 EHAA Cc1cc(N2CCCN(CC[C@H](C)c3ccc(C)o3)CC2)ccn1 215041123 MDTLHDMDMZIYFT-INIZCTEOSA-N 327.472 3.997 0 50 EHAA CCc1nc(C)ccc1OCC(=O)N(C)Cc1cccc2cnccc12 77470804 FQRVNSOYMIKTRS-UHFFFAOYSA-N 349.434 3.538 0 50 EHAA COc1ccc2cc(C(=O)NCCCOC3CCCCC3)n(C)c2c1 215444961 PSLFHVDGHJCYBY-UHFFFAOYSA-N 344.455 3.656 0 50 EHAA CCOc1cccc(-c2nnc(NC(=O)c3ccccc3F)s2)c1 8769703 YMEJRQULPYAJPL-UHFFFAOYSA-N 343.383 3.995 0 50 EHAA CCn1ccc2ccc(NC(=O)N3CCC(N4CC=CC4)CC3)cc21 156034226 WJMGZIGBYDJZBW-UHFFFAOYSA-N 338.455 3.529 0 50 EHAA Cc1cc2c(cc1C)[C@@H](N(C(=O)/C=C/c1ccncn1)C1CC1)CCO2 369987313 RORPAFIOFUYCKC-NAASZUNDSA-N 349.434 3.621 0 50 EHAA O=C(O)c1ccc(Cn2ccnc2-c2ccc(O)c(Cl)c2)cc1 72157074 XORDYADQOJKMHD-UHFFFAOYSA-N 328.755 3.656 0 50 EHAA O=C(Nc1cccc2c1OCCC2)N1CCC(c2ccncc2)CC1 372942944 PNJRQNBPUOCBKM-UHFFFAOYSA-N 337.423 3.818 0 50 EHAA CCCCN(Cc1cccnc1)C(=O)c1ccccc1[C@@H]1CCNC1 72150756 KQPHATJVMJFLOG-GOSISDBHSA-N 337.467 3.601 0 50 EHAA CCN(Cc1ccccc1OC(F)(F)F)Cc1c(C)nn(C)c1C 216097819 KHQPDUMANVBPDQ-UHFFFAOYSA-N 341.377 3.958 0 50 EHAA O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccccc1Cl 174342079 XMXWTHMUSIYSNC-UHFFFAOYSA-N 343.789 3.637 0 50 EHAA CC1(C)CN(C(=O)Nc2ccc(C(F)(F)F)nc2)[C@@H]1[C@H]1CCCO1 290064804 BWUPJWDJKAXCMM-DGCLKSJQSA-N 343.349 3.522 0 50 EHAA Cc1cscc1NC(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 291306779 LAMXMEMRZYXPLO-IBGZPJMESA-N 344.480 3.906 0 50 EHAA CC(C)N(C(=O)c1ccccc1-c1ccc(-n2ccnc2)nn1)C(C)C 426584835 QSTCDORURBXUMJ-UHFFFAOYSA-N 349.438 3.588 0 50 EHAA CC[C@@]1(C(=O)O)CCCN(Cc2cnc(-c3cccc(C)c3)nc2)C1 91536878 ICGMOJGTPJUXOD-HXUWFJFHSA-N 339.439 3.529 0 50 EHAA Brc1ccc2nc(I)sc2c1 95093393 BKEJBIDIIKBSFD-UHFFFAOYSA-N 339.983 3.663 0 50 EHAA in-vitro Cc1c(Cl)cc(C(=O)N(C)CCCc2cnn(C)c2)cc1Cl 95361695 NFASWBOSMSIAIM-UHFFFAOYSA-N 340.254 3.740 0 50 EHAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCC(c2cccc(O)c2)CC1 97729779 XTFVNGOCQIKERT-UHFFFAOYSA-N 347.418 3.802 0 50 EHAA Cc1ccc(-c2nc(CC[C@@H]3CCCO3)n(CC(F)(F)F)n2)o1 96165557 MDKJUXFBPFVTRY-NSHDSACASA-N 329.322 3.520 0 50 EHAA CCOc1cc(S(=O)(=O)N(CC)Cc2ccccc2)c(C)cc1C 231424733 AYOKQUZKRDRTRP-UHFFFAOYSA-N 347.480 3.913 0 50 EHAA c1cncc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccc4occc4c2)C3)c1 95384725 NIMCSTQUTATOKZ-PZJWPPBQSA-N 347.462 3.924 0 50 EHAA O=C(c1ccc(Cl)o1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 181484537 JZYAXLFQYBZVCM-UHFFFAOYSA-N 347.724 3.626 0 50 EHAA O=C(O)C[C@H]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 299744534 PBUPNRRAFHBCFO-JTQLQIEISA-N 347.308 3.562 0 50 EHAA CNC(=O)C1(NC(=O)c2cccc(-c3ccsc3)c2)CCCCC1 299758273 LCNBQDYMVDUPKH-UHFFFAOYSA-N 342.464 3.594 0 50 EHAA CS[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(C)cc2)c1 952982313 KLXLJWIUIWCFRU-ZDUSSCGKSA-N 328.437 3.937 0 50 EHAA C[C@H](CC(=O)c1ccccc1)NC(=O)c1cccc([C@H]2CCOC2)c1 408513701 FZLMDTJKQVROMA-BEFAXECRSA-N 337.419 3.582 0 50 EHAA Cc1nc2ccc(N(C)C(=O)C[C@H](N)c3ccccc3)cc2s1 170682454 BNMBYFCBIINAOI-HNNXBMFYSA-N 325.437 3.658 0 50 EHAA Cc1nnc(CN2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)o1 186860417 UDMYDNLXZXRSRV-CYBMUJFWSA-N 343.374 3.687 0 50 EHAA Cc1c(C(=O)NC2CCC(C(F)F)CC2)nc(O)c2ccccc12 655144254 SULVEWXRMJSPEQ-UHFFFAOYSA-N 334.366 3.803 0 50 EHAA Cc1ccsc1C(=O)N(C)[C@@H]1CCCN(CCc2ccccc2)C1 12466506 NXWOWONXJLVZMD-GOSISDBHSA-N 342.508 3.836 0 50 EHAA CCCc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccco3)on2)no1 15866678 GUWGYZUBBCLVFC-OAHLLOKOSA-N 341.367 3.852 0 50 EHAA COc1cc(CN2CCc3ccccc3C2)cc(Br)c1O 19537363 QFPABRPUWPYRQZ-UHFFFAOYSA-N 348.240 3.722 0 50 EHAA O[C@H]1C[C@@H]2CN(Cc3ccc4ccn(Cc5ccccc5)c4c3)C[C@@H]2C1 1857683733 WLQJUCCLZCSFGJ-ZBYYUNFXSA-N 346.474 3.892 0 50 EHAA CCCCc1ccc(CN2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)s1 1857728629 JZERWDFUOYLSHG-MTQWCTHYSA-N 348.556 3.632 0 50 EHAA Cc1nn2c(CN[C@H]3CCOC4(CCCC4)C3)c(C(C)C)nc2s1 329123273 LHUKCJVKQRSXFH-AWEZNQCLSA-N 348.516 3.804 0 50 EHAA Cc1ccc(-c2ccccc2)cc1C(=O)NC[C@H]1CC12CCNCC2 1875287295 CMXFDXAXZWPPJJ-LJQANCHMSA-N 334.463 3.782 0 50 EHAA Cc1ccc2c(c1)S[C@H](C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1)C2 1875261513 ORONLHMXIWOOKR-RYRKJORJSA-N 341.480 3.508 0 50 EHAA O=C(NC[C@H]1CCCC1(F)F)c1cc(O)nc(-c2ccccc2)c1 1875336801 HRSUFMPUSQBBFB-CQSZACIVSA-N 332.350 3.619 0 50 EHAA COc1ccc([C@H](C)NC[C@@H]2CCCO[C@H]2c2cc[nH]n2)cc1C 888078493 VZRMBXAUASGAEQ-URLQWDBASA-N 329.444 3.545 0 50 EHAA C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1c[nH]c2ccccc12 1772769654 GNTKDRVSLBOORL-NSHDSACASA-N 334.828 3.861 0 50 EHAA COc1cc(S(=O)(=O)Oc2ccc(Cl)cc2)c(C)cc1C 1776003988 ILMLIFFBKWEFHY-UHFFFAOYSA-N 326.801 3.733 0 50 EHAA COc1ccc2[nH]c3c(=O)n(C4CCC(F)(F)CC4)ncc3c2c1 899367130 WIQXJHBXOGALFH-UHFFFAOYSA-N 333.338 3.637 0 50 EHAA Cc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2 90040 QSFZMZFTAMVVPV-UHFFFAOYSA-N 336.391 3.801 0 50 EHAA aggregator CC(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1 136788 YBJIRJWAAPZJEF-UHFFFAOYSA-N 333.185 3.660 0 50 EHAA Cc1cccc(N2CCN(C(=S)c3ccc(N(C)C)cc3)CC2)c1 141923 CMWSTMUBPSGYLC-UHFFFAOYSA-N 339.508 3.559 0 50 EHAA Nc1nc(SCC(=O)c2ccccc2)nc2sc3c(c12)CCC3 294962 INDMFJXNBZVZTC-UHFFFAOYSA-N 341.461 3.737 0 50 EHAA Cc1ccc(NC(=S)N2CCN(c3ccccc3)CC2)c(C)c1 305832 WYRZHCVCHCPZHK-UHFFFAOYSA-N 325.481 3.822 0 50 EHAA CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 308596 BEFYASBKVZPWHP-UHFFFAOYSA-N 336.435 3.740 0 50 EHAA COc1cccc(-c2cc(C(=O)N3CCc4ccccc4C3)no2)c1 423684 RCVSZVZUIHTZGV-UHFFFAOYSA-N 334.375 3.549 0 50 EHAA COc1ccc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1OC 475024 ZTVPLVQZBOEAED-UHFFFAOYSA-N 340.206 3.941 0 50 EHAA COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccccc2)c1 713043 ZJOGWMBYPVOFPC-LLVKDONJSA-N 333.771 3.533 0 50 EHAA Cc1c(C(=O)N2CCN(CCc3ccccc3)CC2)oc2ccccc12 1054018 QQNVRWYIDKIMFD-UHFFFAOYSA-N 348.446 3.742 0 50 EHAA CCCOc1ccc(OCCOCCN2C[C@@H](C)C[C@H](C)C2)cc1 2823747 HPPAFXHZWSOYJV-ROUUACIJSA-N 335.488 3.849 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccccc1Cl 4868326 LUYJSXKOZIXFKS-UHFFFAOYSA-N 337.206 3.557 0 50 EHAA CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nccc(=O)[nH]1 8012949 PFIZFUJGHWHNMU-UHFFFAOYSA-N 345.468 3.748 0 50 EHAA COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c(OC)c1 8477846 MANYEDASLCZIIC-CQSZACIVSA-N 329.396 3.727 0 50 EHAA C[C@H]1CCCCN1c1ccc(Cl)cc1NC(=O)c1ccnnc1 55284365 NYGLQZKXLLQHAE-LBPRGKRZSA-N 330.819 3.761 0 50 EHAA Cc1ccsc1[C@H]1Nc2ccccc2C(=O)N1C[C@@H]1CCCO1 9339123 TYARJNJWHKMTRT-GUYCJALGSA-N 328.437 3.802 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)on1 21718493 QEEXCNYLUOHWJH-OAHLLOKOSA-N 341.342 3.754 0 50 EHAA CCn1nc(C)c([C@@H](C)NCc2cc(C)c(OC(C)=O)c(C)c2)c1C 55309986 ZQDYKKPCPLWTPB-CQSZACIVSA-N 343.471 3.913 0 50 EHAA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccnc1 247979370 WKXFUHJKZQCZHZ-OPTDIUSFSA-N 336.435 3.562 0 50 EHAA CC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1cccc(OC)c1 249119870 VVPOMHSNSMJCJW-HKUYNNGSSA-N 330.472 3.623 0 50 EHAA COc1ccc(OC)c([C@@H]2CCN(Cc3ccc(Cl)nc3)C2)c1 67541464 CKBODNPDQSLNPE-CQSZACIVSA-N 332.831 3.742 0 50 EHAA CC(=O)n1nc(C(F)(F)F)c(Br)c1-c1ccccc1 2529935 HIKPALQVTURLLD-UHFFFAOYSA-N 333.107 3.992 0 50 EHAA Cc1c(Cl)c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn1C 2759944 YGATUQTZDNWZNK-UHFFFAOYSA-N 332.618 3.619 0 50 EHAA O=C(Nc1cc(Cl)c(Cl)cc1F)N1CCC2(CC1)OCCO2 281412511 YEFGCGRQKMRQAW-UHFFFAOYSA-N 349.189 3.503 0 50 EHAA c1ccc(CC[C@@H]2CN(Cc3ccccc3-n3cccn3)CCO2)cc1 71763244 WIFMYZHFSDQBMD-OAQYLSRUSA-N 347.462 3.706 0 50 EHAA c1cncc(-c2nccn2-c2ccc(OC[C@@H]3CCCCO3)cc2)c1 77380122 JIZNOIAIRUYOPB-IBGZPJMESA-N 335.407 3.882 0 50 EHAA Cc1cc(C)cc(CN2CCN(Cc3ccc4[nH]ccc4c3)CC2=O)c1 72147048 DPZZVQDEQUILER-UHFFFAOYSA-N 347.462 3.629 0 50 EHAA Clc1ccc(-c2noc(CN3CCO[C@H]4CCCC[C@H]43)n2)cc1 363214032 PCGIMYMLWBLUMY-CABCVRRESA-N 333.819 3.533 0 50 EHAA Cc1ccc(-c2ccc(Cl)cc2NCc2nnc3n2CCOC3)o1 366632278 HWDHHPDURJPCKX-UHFFFAOYSA-N 344.802 3.642 0 50 EHAA CCc1[nH]c2c(CNC(=O)c3cnc(C4CC4)nc3)cc(C)cc2c1C 71758889 BHIDLXJZBREGOL-UHFFFAOYSA-N 348.450 3.945 0 50 EHAA CN(C)[C@@H](CN[C@H]1CCCCc2ccc(Cl)cc21)c1cnn(C)c1 130143397 CLKCVNAPHHQZPN-OALUTQOASA-N 346.906 3.734 0 50 EHAA Oc1cc(-c2noc([C@H]3OCCc4ccccc43)n2)c2ccccc2n1 377459988 NPCJRNIYZJVNJK-SFHVURJKSA-N 345.358 3.653 0 50 EHAA FC(F)Oc1ccccc1CN1CCC(Oc2cccnc2)CC1 215698661 LXZQYYQLSXPKER-UHFFFAOYSA-N 334.366 3.726 0 50 EHAA CCNc1ncc(CN2CCC[C@H](c3ccc(Cl)cc3)C2)cn1 216077633 KOWUZGDYMUVLHB-INIZCTEOSA-N 330.863 3.941 0 50 EHAA CC(=O)Nc1ccc(NC(=O)c2csc(NC3CCCC3)n2)cc1 44918771 IGDCVHLBFGUDKQ-UHFFFAOYSA-N 344.440 3.708 0 50 EHAA Cc1cc(C(=O)NCc2nc(C(F)(F)F)cs2)c(F)cc1F 176456391 UDKJACGJWZAPGT-UHFFFAOYSA-N 336.285 3.679 0 50 EHAA O=C(c1[nH]nc2c1CCCC2)N1CCC[C@@H]1c1ccccc1Cl 130874422 FFQUIHJSXGVBSC-MRXNPFEDSA-N 329.831 3.919 0 50 EHAA CCCn1cc(-c2ccnc(NCc3nc(CC)cs3)n2)c(C)n1 48501580 PSZNQBCOBADOTM-UHFFFAOYSA-N 342.472 3.690 0 50 EHAA CC(C)c1nc(CN(C)C(=O)c2ccc(-c3cc[nH]n3)cc2)cs1 91526811 LEGWOKPGXPSOGM-UHFFFAOYSA-N 340.452 3.929 0 50 EHAA CC(C)Oc1cccc(-c2ccc(C(=O)NC[C@H]3CCOC3)cc2)c1 426716088 MXCIHAKRXRNUNX-MRXNPFEDSA-N 339.435 3.907 0 50 EHAA COc1ccc(-c2ccc(NC(=O)NCC[C@H]3CCCN3)cc2)cc1 97243692 FPRHOFOGACYHQZ-QGZVFWFLSA-N 339.439 3.626 0 50 EHAA CCCn1nc(C)c(NC(=O)N2CCC[C@@H]2c2ccccn2)c1C 97179359 ZTYVTVFQUVQWEC-MRXNPFEDSA-N 327.432 3.674 0 50 EHAA Fc1ccccc1N1CC[C@H](CNc2nccc(C(F)(F)F)n2)C1 95357690 LQAPGCHAZNEDSK-LLVKDONJSA-N 340.324 3.573 0 50 EHAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)Nc1c(CC)cccc1CC 96132955 ADHHRRDTAINVBH-KRWDZBQOSA-N 345.487 3.676 0 50 EHAA CCCCn1ccnc1[C@H]1CCCN(Cc2nc(C(C)C)no2)C1 95388685 PLALPZYRLCWTGM-HNNXBMFYSA-N 331.464 3.569 0 50 EHAA Cc1csc(C(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 295968134 IGLBJEMYFVTKHZ-CHWSQXEVSA-N 347.440 3.658 0 50 EHAA Cc1cccc(-n2nc(C(C)C)nc2[C@H]2CC(=O)Nc3ccccc32)n1 828320632 WXQSSOOHUMXJDZ-HNNXBMFYSA-N 347.422 3.568 0 50 EHAA Cc1cc(-n2cccn2)ccc1NC(=O)c1cc2c(s1)CCOC2 190198750 WEDDJFJXAJKYIA-UHFFFAOYSA-N 339.420 3.567 0 50 EHAA CC1=CC2(CCN(c3nnc(-c4ccccc4)s3)CC2)OCC1 1704329162 NQMBDVTZLBZSRG-UHFFFAOYSA-N 327.453 3.911 0 50 EHAA COc1ccc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)c(O)c1 1772710908 UNDWBDWUSFAHFM-KRWDZBQOSA-N 329.371 3.907 0 50 EHAA O=C(CC1=CCCCC1)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 12702819 QDESBKRRMHYFCL-HXUWFJFHSA-N 338.495 3.625 0 50 EHAA Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1 17358242 DXGLGHFYVVOUEW-UHFFFAOYSA-N 331.419 3.506 0 50 EHAA COCO[C@H]1C(=O)[C@@]2(/C=C/OCC[Si](C)(C)C)CC[C@H]1C2(C)C 169835563 YPQUTKFERANAPW-NUPRHWDWSA-N 340.536 3.849 0 50 EHAA CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc(C(C)=O)c1C 1446680 ANUURSOSEYTFBR-BQYQJAHWSA-N 347.392 3.681 0 50 EHAA COc1cc(C)c(-c2nc(NC(=O)[C@@H]3CCOC3)sc2C)cc1C 1875239815 ACOMTDHNGHPONX-CYBMUJFWSA-N 346.452 3.719 0 50 EHAA CN(C(=O)CCc1cnn(C)c1)[C@@H]1CCCC[C@@H]1c1ccccc1 416015700 UFCVJQCMYQCNIP-RTBURBONSA-N 325.456 3.538 0 50 EHAA COc1cccc(Cl)c1CN[C@@H](C[S@@](C)=O)c1ccccc1 328589573 VIPZARYZERNSLO-KSFYIVLOSA-N 337.872 3.558 0 50 EHAA C[C@@H](NC(=O)Nc1ccc(F)cn1)c1ncc(-c2ccccc2)o1 122943482 OXMCJDXJTNKCMO-LLVKDONJSA-N 326.331 3.758 0 50 EHAA CSC1(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCC1 346484369 FUXWREIEKHISIB-UONOGXRCSA-N 343.851 3.711 0 50 EHAA Cc1cc(C(C)(C)C)ccc1O[C@H](C)C(=O)NCc1cncs1 2325855324 SIEJEWMHNICVCN-CYBMUJFWSA-N 332.469 3.833 0 50 EHAA c1ccc(Cn2cnc(NC3=Nc4cccc5cccc3c45)n2)cc1 127451 SXFQOMCSJWAJSO-UHFFFAOYSA-N 325.375 3.983 0 50 EHAA CCCc1nnc(NC(=O)COc2ccc(C(C)C)c(C)c2)s1 148499 XWVUTJXJPGGQRS-UHFFFAOYSA-N 333.457 3.940 0 50 EHAA Cc1ccc(C(=O)CSc2nnnn2-c2cc(C)ccc2C)cc1 350858 PXQNTVIPDCNVGS-UHFFFAOYSA-N 338.436 3.563 0 50 EHAA C[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](C)O)cc2)cc1 390084 MIUUNYUUEFHIHM-HOTGVXAUSA-N 344.451 3.532 0 50 EHAA biogenic,in-vitro COc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)no2)cc1 423658 UUXDNWJCDOCWCM-UHFFFAOYSA-N 336.347 3.805 0 50 EHAA CCOC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2C)cc1 460838 UQZICRSBWLQHAB-UHFFFAOYSA-N 341.407 3.806 0 50 EHAA CC(=O)Nc1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1 470106 CAGVGNFTGLEMQO-CYBMUJFWSA-N 328.437 3.905 0 50 EHAA COc1cc(Cl)c(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC 1686461 OYDWDDHWUXJCHC-ZSOIEALJSA-N 343.766 3.702 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)CCCOc1ccc(C)cc1 1773344 FAGAOUNRZVHQNQ-UHFFFAOYSA-N 341.407 3.969 0 50 EHAA COc1ccc([C@@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)cc1 2110052 FXMVAIWAXLKLCY-AWEZNQCLSA-N 349.390 3.603 0 50 EHAA biogenic O=C(Oc1ccccc1Br)c1cc2ccccc2oc1=O 2886205 CXKMLRRNZKPDAD-UHFFFAOYSA-N 345.148 3.775 0 50 EHAA CC(=O)O[C@@H]1CS[C@@H]2c3ccccc3C(=O)N2Cc2sccc21 4108885 FGEJKORVRVLUJI-RHSMWYFYSA-N 345.445 3.754 0 50 EHAA CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccnc3)c2C)C1=O 4949495 KTWIXHGCYPECIT-OQLLNIDSSA-N 327.409 3.545 0 50 EHAA O=C(NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1)c1ccc(F)cc1 11784022 ILBJPTZAKVECDQ-SFHVURJKSA-N 348.377 3.621 0 50 EHAA CC(C)CN1C(=O)CC[C@@H]2CN(C3C4CC5CC(C4)CC3C5)CC[C@@H]21 12160479 QUUYFDKRZHBIQQ-MAMNATSISA-N 344.543 3.780 0 50 EHAA COc1ccc(NC(=O)N[C@H](C)CCc2ccccc2)c(OC)c1 17067267 AEEAOCLELOTXAV-CQSZACIVSA-N 328.412 3.847 0 50 EHAA Cc1nc(Nc2ccc(NC(=O)C(C)(C)C)cc2)cc(N(C)C)n1 21794024 PAOMFEUHYCMXLD-UHFFFAOYSA-N 327.432 3.579 0 50 EHAA Cc1nn(-c2ccc(C(=O)O)cc2)c2oc(=O)cc(-c3ccccc3)c12 35191265 XZUXLBUTEUZDDA-UHFFFAOYSA-N 346.342 3.652 0 50 EHAA COc1cccc(CN[C@@H]2CCCc3nc(-c4cccnc4)ncc32)c1 55368773 QSZOVDUVNXNLKE-LJQANCHMSA-N 346.434 3.714 0 50 EHAA C[C@H](Cc1cnccn1)NC(=O)c1cccc(-c2cccc(F)c2)c1 65417309 QSZFCBCCKRJDBT-CQSZACIVSA-N 335.382 3.644 0 50 EHAA FC(F)(F)c1ccccc1-n1nc(C2CC2)nc1-c1csnn1 65526264 OVSMZFNUEXZTSG-UHFFFAOYSA-N 337.330 3.682 0 50 EHAA COc1cc(-c2nccn2Cc2ccccc2Cl)cc(OC)c1O 67947411 DKDHYBLGNJFXLC-UHFFFAOYSA-N 344.798 3.975 0 50 EHAA C[C@@H](c1cncs1)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 72408302 WVNMBMNWPRJTAM-ZDUSSCGKSA-N 332.469 3.680 0 50 EHAA Cc1cccc(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)n1 77357946 PKBDGHDDKUXIPD-FQEVSTJZSA-N 337.467 3.819 0 50 EHAA CN(C)c1cccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1 77469915 GBCBAZADLMGWJA-UHFFFAOYSA-N 342.414 3.575 0 50 EHAA CC(=O)c1ccc(C(=O)N(C)C[C@@H]2CCN(c3ccccc3)C2)s1 82091321 VHBHULXFOSDQQJ-HNNXBMFYSA-N 342.464 3.549 0 50 EHAA CSCCc1nc(C[C@@H](C)n2ccnc2C)n(C2CCCCC2)n1 96132010 IQETYYRMCLIKAG-CQSZACIVSA-N 347.532 3.997 0 50 EHAA Cc1nn(C)c2nc(N3CCC[C@@H]3c3cc(C(C)C)on3)sc12 96165413 WYPIAWZPLQHRNQ-GFCCVEGCSA-N 331.445 3.791 0 50 EHAA C[C@@H]1CN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@H]1c1ccccc1 121507403 DCFVIYJGLVPBHF-RDTXWAMCSA-N 347.422 3.707 0 50 EHAA CC(C)c1cc(C(=O)N(Cc2ccccc2)C2CCN(C)CC2)no1 123815014 UUZDFIBKKMMWGQ-UHFFFAOYSA-N 341.455 3.535 0 50 EHAA O=C(Nc1cccnc1-c1ccccc1)c1cnc2ccccc2n1 179368574 JZNIZSGYKXWLBM-UHFFFAOYSA-N 326.359 3.944 0 50 EHAA COc1cnccc1[C@@H](C)NC(=O)N(Cc1ccco1)C1CCCC1 187505059 XKTWTWDIBNWYBB-CQSZACIVSA-N 343.427 3.899 0 50 EHAA Cn1ccc2cccc(NC(=O)N3CCO[C@H](c4cccs4)C3)c21 190016690 YWASXLFQKQYTCN-HNNXBMFYSA-N 341.436 3.845 0 50 EHAA O=C(Nc1cc(-c2ccco2)ccc1F)[C@@H]1COc2ccccc2O1 225424368 UTZFMPQBNWODDD-SFHVURJKSA-N 339.322 3.864 0 50 EHAA Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 229410489 DFIAUXSMVHZSCK-KFWWJZLASA-N 343.393 3.551 0 50 EHAA CC(C)c1ccc(-c2nc(CN3CCC[C@@H]3C(=O)O)cs2)cc1 236852242 ZQWAXBCQBAYIPG-MRXNPFEDSA-N 330.453 3.983 0 50 EHAA Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Oc1ccccc1 239667402 BPVHLRWMLWPSLD-MORSLUCNSA-N 342.439 3.901 0 50 EHAA CCS[C@@H]1CC[C@H](N(C)C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 252500758 TVALGJWBVOLPHO-YTQUADARSA-N 346.540 3.755 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccccc1C(F)(F)F 252536980 KAVXIZHEZYKCDT-DFBGVHRSSA-N 327.346 3.923 0 50 EHAA Cc1cc(C)c2nc(O)c(CN3CCC[C@@H](c4ncc[nH]4)C3)cc2c1 253536515 HJBPZLMAGGEWDS-OAHLLOKOSA-N 336.439 3.660 0 50 EHAA CC(C)C[C@H](C(=O)NCCCc1nc2ccccc2[nH]1)n1cccc1 263587476 HJKCIEOZPQZFFI-GOSISDBHSA-N 338.455 3.701 0 50 EHAA O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC2(CCO2)CC1 299766317 NFLZRENQGTXRJL-UHFFFAOYSA-N 332.297 3.631 0 50 EHAA CN(C[C@H]1CCN(C)C1(C)C)C(=O)c1cccc(C(F)(F)F)c1 299767852 WGSJGXVLMSXCSF-CQSZACIVSA-N 328.378 3.508 0 50 EHAA O=C(c1ccccc1)N1CCC[C@@H]1c1nc(Cc2cccs2)no1 328587310 ZNOJDJBDGCWQQS-OAHLLOKOSA-N 339.420 3.699 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 345030235 JHEWMRXIOJKNHF-CABZTGNLSA-N 333.382 3.554 0 50 EHAA C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1nccs1 411459348 ZGYDYSLXPINMDJ-JTQLQIEISA-N 344.358 3.537 0 50 EHAA Cc1cc(C)cc(CN(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1 411581264 IATWBPSSOAUUAC-PZJWPPBQSA-N 340.515 3.552 0 50 EHAA CCCC[C@@H](c1cccnc1)N(C)C(=O)NCc1nnc(CC)s1 584885713 IQASZEQYGALRMS-AWEZNQCLSA-N 347.488 3.568 0 50 EHAA CC[C@H](NC(=O)N1CC(N2CCCCC2)C1)c1ccc(C)c(C)c1 584887160 CYYLOFJOGVNOEQ-IBGZPJMESA-N 329.488 3.634 0 50 EHAA CC(C)CCn1ccc(NC(=O)N2Cc3ccccc3OC[C@@H]2C)n1 679883261 WJOLMMBZJFWSCW-HNNXBMFYSA-N 342.443 3.744 0 50 EHAA O=C(O)c1cc2cc(CN3CCCC[C@H]([C@H]4CCOC4)C3)ccc2o1 903962928 UPPBYEUWJAADLA-HOTGVXAUSA-N 343.423 3.770 0 50 EHAA CC(=O)N1CCC[C@@H]1c1noc(-c2ccc(Cl)c3occc23)n1 904132990 IEPLPUULXYGMFJ-CYBMUJFWSA-N 331.759 3.820 0 50 EHAA CC[C@@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CCN1C(C)C 952969989 JEABFXUXEWSJFP-GOSISDBHSA-N 333.495 3.599 0 50 EHAA Oc1cccc(CC[C@H]2CCCCN2Cc2cccc3nonc23)c1 952978159 PRPFGTLRWTVYAO-QGZVFWFLSA-N 337.423 3.916 0 50 EHAA COCC1(CNC2CCN(c3ccc(F)c(F)c3)CC2)CCCC1 1506398560 DRPMNVJAFRDKRE-UHFFFAOYSA-N 338.442 3.730 0 50 EHAA CCc1c(C)noc1NC(=O)[C@@H](c1ccc(F)cc1)N1CCCCC1 1529194691 BRTJAFDKOXYOHH-QGZVFWFLSA-N 345.418 3.850 0 50 EHAA N[C@@H](CC(F)(F)F)c1ccc(-c2ccc3c(c2)OCCNC3)cc1 1875319563 ICGBGWYVTRSDID-INIZCTEOSA-N 336.357 3.788 0 50 EHAA O[C@]1(c2ccccc2F)CCN([C@H]2CCc3c(F)cc(F)cc32)C1 2325828025 WSDDWEDCVDHYST-RBUKOAKNSA-N 333.353 3.685 0 50 EHAA Cc1nn2cccnc2c1-c1ccccc1C(=O)N(C(C)C)C(C)C 2356164637 AWRVUBXQHCLBTC-UHFFFAOYSA-N 336.439 3.964 0 50 EHAA O=C(Nc1cccc(F)c1)c1ccccc1I 32377 QLYBMGYSQDAPHH-UHFFFAOYSA-N 341.123 3.683 0 50 EHAA CCOC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 102560 JOHUAUNWPCGXGX-UHFFFAOYSA-N 335.359 3.850 0 50 EHAA CC(=O)OC[C@@]12CC=C(C)[C@@H](C1)[C@@H](c1ccccc1OC(C)=O)OC2 171852 WXXRTAUWPYIECM-MISYRCLQSA-N 344.407 3.589 0 50 EHAA O=C(Oc1c(Cl)cc(Cl)c2ccccc12)N1CCOCC1 197453 GLACIBQMJNDESS-UHFFFAOYSA-N 326.179 3.978 0 50 EHAA Cc1cc(C)c(NC(=O)C(F)(F)F)c(C)c1NC(=O)C(F)(F)F 289446 UTDKOLNDSDCXML-UHFFFAOYSA-N 342.239 3.613 0 50 EHAA Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1 351397 LUUYVRDWKLWPAH-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@H]1c1ccccc1 439591 SVDRBGCCJFYNLG-WIYYLYMNSA-N 334.419 3.955 0 50 EHAA COc1ccc2nc(NC(=O)COc3ccccc3Cl)sc2c1 449864 DTMHDWYPEXBQTM-UHFFFAOYSA-N 348.811 3.976 0 50 EHAA O=C(N1CCOCC1)n1nc(-c2ccccc2)cc1-c1ccccc1 520761 AVBRINSQWUNQEI-UHFFFAOYSA-N 333.391 3.517 0 50 EHAA O[C@@H](COc1ccc(Cl)cc1)Cn1cnc(-c2ccccc2)c1 608831 QLKXUPIGSHPNCO-MRXNPFEDSA-N 328.799 3.643 0 50 EHAA CC(C)C(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 620514 JXELBJZGIMNEDX-UHFFFAOYSA-N 330.815 3.865 0 50 EHAA COc1ccc(-c2ccc(-c3nccn3C[C@@H](C)OC)o2)cc1OC 2356156975 YWMITIKFYAFTDT-CYBMUJFWSA-N 342.395 3.862 0 50 EHAA COc1cc(C(=O)Nc2ccc(C)cc2Cl)cc(OC)c1OC 4542908 BMTIKEVSUNXRMO-UHFFFAOYSA-N 335.787 3.927 0 50 EHAA C[C@H](NC(=O)c1cccs1)c1nc(-c2ccccc2Cl)no1 4998095 VRPOAGACSHVCDG-VIFPVBQESA-N 333.800 3.943 0 50 EHAA O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@H]1C=C[C@H]2C1=C1CCCCC1 101597545 XOSPGPNKDYEJGU-ZULIPRJHSA-N 333.431 3.864 0 50 EHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCC[C@H](N)C2)ccc1F 102403423 JPOVCYZDLHJWQL-ZSXDVEMLSA-N 344.474 3.889 0 50 EHAA CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C(=O)c1ccco1 55090145 KMORVUZSLDNQRI-SFHVURJKSA-N 336.391 3.726 0 50 EHAA O=C(CSCc1ccccc1Cl)NCc1nc2ccccc2[nH]1 55154901 VYWNSSGMHWUUDG-UHFFFAOYSA-N 345.855 3.766 0 50 EHAA Cc1cccc(C)c1NC(=O)c1ccccc1NC(=O)[C@@H]1CCCO1 55576487 GODWBZSSFJSCLB-KRWDZBQOSA-N 338.407 3.673 0 50 EHAA Cn1ncc2cc(NC(=O)c3cccc(CN4CC=CCC4)c3)ccc21 67855973 QPJZTDFWOILLKC-UHFFFAOYSA-N 346.434 3.588 0 50 EHAA O=C(CCn1cnc2ccccc21)N[C@@H]1CCCc2sccc21 137378057 MTOYNOSXALCMRN-CQSZACIVSA-N 325.437 3.682 0 50 EHAA COCc1nn2c(C)c(C(C)=O)cnc2c1-c1cccc(Cl)c1 67630977 ZCEJBMKVUQANOU-UHFFFAOYSA-N 329.787 3.707 0 50 EHAA Cc1ccc(OC(F)F)c(CNC(=O)c2ccc([C@H](C)N)cc2)c1 423254964 ADDOHWINDCVJRK-LBPRGKRZSA-N 334.366 3.546 0 50 EHAA CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1cccc(OC)c1 33270596 UWTMUAZSZAKOHX-OAHLLOKOSA-N 329.400 3.923 0 50 EHAA COc1ccc2[nH]c(C(=O)N3CCC(c4ccncc4)CC3)cc2c1 77377858 JIQYGXRDVDGJFV-UHFFFAOYSA-N 335.407 3.591 0 50 EHAA COc1cccc(-n2c(S)nnc2Cc2c(F)cccc2Cl)c1 6398696 UKMLJTWBAUDHQE-UHFFFAOYSA-N 349.818 3.948 0 50 EHAA OCc1ccc(-c2nccn2-c2ccc(Nc3ccccc3)nc2)o1 72454001 KWXALLBISMJIRJ-UHFFFAOYSA-N 332.363 3.763 0 50 EHAA C[C@H]1CCC[C@H](C)N(C(=O)c2cccc(OCC(F)(F)F)n2)C1 150775731 COFFFBNQOBFBAA-RYUDHWBXSA-N 330.350 3.673 0 50 EHAA CCCn1ccnc1CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 72131900 FCFJFXOFFFNCOC-INIZCTEOSA-N 337.471 3.624 0 50 EHAA CCc1cc([C@H](C)Nc2nc(C3CCCC3)nc3c2cnn3C)on1 72409251 PNFJHDCGJAMTTC-NSHDSACASA-N 340.431 3.744 0 50 EHAA CC[C@@H]1C[C@H](C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CCO1 241588247 PBEZGNOLFGAORV-OUUBHVDSSA-N 327.468 3.986 0 50 EHAA COc1ccc(-c2nccn2-c2cccc(NC(C)=O)c2)cc1OC 72163019 BXFOYQGVGLPDRE-UHFFFAOYSA-N 337.379 3.515 0 50 EHAA CC(C)[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1 72442238 FHWBFSJWSVOMOU-FQEVSTJZSA-N 338.451 3.650 0 50 EHAA Cc1cc(-n2cccn2)ccc1CN1CCC(CCn2cccn2)CC1 214959365 AFHQWJGUHTZSEV-UHFFFAOYSA-N 349.482 3.680 0 50 EHAA Cc1nn(CC(=O)N[C@H](C)CCCC(C)C)c(C)c1Br 338039485 NQJDTXPXPLVQLY-LLVKDONJSA-N 344.297 3.593 0 50 EHAA Cn1cccc1[C@@H]1CCCCN1C(=O)CCc1nc2ccccc2[nH]1 173540482 MVCAUPMGHASTSN-SFHVURJKSA-N 336.439 3.588 0 50 EHAA COC(=O)[C@@H]1C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)C1=O 71786928 LSHBHSFAOXGHPP-NLJKLAEJSA-N 342.435 3.520 0 50 EHAA CC(C)[C@@H]1C[C@@H](CC(=O)Nc2c[nH]nc2-c2ccccc2F)CCO1 283935559 YYTFUZHTGGCTLL-GUYCJALGSA-N 345.418 3.996 0 50 EHAA CCc1noc(CC)c1CC(=O)N1CCC[C@@H]1c1cccc(F)c1 175989243 IYBZUIYTYLVKEA-QGZVFWFLSA-N 330.403 3.845 0 50 EHAA O=C1O[C@H](/C(=C\Nc2ccc(Cl)cc2)[N+](=O)[O-])c2ccccc21 17784607 MQIOHVSQOWRJSB-HNRFISLBSA-N 330.727 3.782 0 50 EHAA CCCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@@H]1CCNC1 178883089 ITBLMLZNKSQJSU-OAHLLOKOSA-N 332.444 3.768 0 50 EHAA O=C(CCC(F)(F)F)N1CCN(c2ccc3ccccc3c2)CC1 82171052 KGKPOHDPLQAEGR-UHFFFAOYSA-N 336.357 3.831 0 50 EHAA CC(C)n1c([C@H](C)NCc2noc(C3CC3)n2)nc2ccccc21 162339408 HHGXTKAXYAVBIR-LBPRGKRZSA-N 325.416 3.728 0 50 EHAA CC(C)N1CC2(CCC1=O)CCN(c1ccnc3ccccc13)CC2 95371691 FOXMXHHXMBOTCE-UHFFFAOYSA-N 337.467 3.852 0 50 EHAA Cc1nn(C)c2nc(N3CCCC[C@@H]3CCc3ccccn3)sc12 95512288 GQYBREUNKOMHFK-OAHLLOKOSA-N 341.484 3.725 0 50 EHAA C[C@H](C(=O)Nc1ccccn1)N(Cc1ccc2[nH]ccc2c1)C1CC1 252483462 FBZKJPHXYLMNCK-CQSZACIVSA-N 334.423 3.555 0 50 EHAA O=C(CCC(F)(F)F)NC[C@H](c1ccc(Cl)cc1)N1CCCC1 299778460 QKFMCIJNJBQNLM-CQSZACIVSA-N 348.796 3.936 0 50 EHAA CC(C)(C)OC(=O)Nc1cc(F)c(Br)cc1C(=O)O 725375260 JUMFZJCWJRAOBH-UHFFFAOYSA-N 334.141 3.633 0 50 EHAA Cc1ccc([C@H](NC(=O)CCCn2cccn2)c2cccnc2)cc1C 827992489 UBMCOPMOEHNFPV-NRFANRHFSA-N 348.450 3.581 0 50 EHAA CC(C)c1nnsc1C(=O)N[C@@H](CC(C)(C)C)c1cccnc1 670446971 PYYAYLYNRBLBJT-ZDUSSCGKSA-N 332.473 3.964 0 50 EHAA COc1cc(C(=O)O)cc(-c2ccc(C(=O)N3CCCCC3)cc2)c1 65355341 SHYRKVICVFHZQC-UHFFFAOYSA-N 339.391 3.687 0 50 EHAA in-vitro CN(CC(=O)Nc1ccc2scnc2c1)Cc1ccc(F)cc1 952980389 KNIVBWYMBMXMDW-UHFFFAOYSA-N 329.400 3.506 0 50 EHAA Cc1noc([C@@H]2CC[C@H](CNCc3csc4ccccc34)O2)n1 275370039 XDPKEXASYGUOOY-HIFRSBDPSA-N 329.425 3.603 0 50 EHAA Cc1c([C@H](NC(=O)N2C[C@@H](C)[C@H](CO)C2)C(C)C)oc2ccccc12 188872148 YFBVVNAOJMUIHK-QIIPPGSGSA-N 344.455 3.708 0 50 EHAA CN(Cc1ccc(C(C)(C)C)cc1)CN1C(=O)SC(C)(C)C1=O 753994062 WVHLXHWDAQEAAI-UHFFFAOYSA-N 334.485 3.847 0 50 EHAA Cc1cc(N(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c2ccccc2n1 1704335341 DPQYAUIZHLWWPE-INIZCTEOSA-N 337.467 3.771 0 50 EHAA CCCCNC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C)cc1 5048154 BTJBDWRSYPIVSI-GHRIWEEISA-N 342.464 3.744 0 50 EHAA CC(C)(C)OC(=O)N1CC(C)(C)c2ncc(Br)cc21 143092893 UGSOPAQTNLDTAN-UHFFFAOYSA-N 327.222 3.877 0 50 EHAA Cc1cc(NC(=O)COc2ccccc2)c2cc(F)cc(F)c2n1 12323087 CYXVDUFMUOHQLE-UHFFFAOYSA-N 328.318 3.839 0 50 EHAA Cc1sc(NC(=O)c2ccncc2)c(C(=O)NC2CCCC2)c1C 13329622 GORRMMMFUKTRKS-UHFFFAOYSA-N 343.452 3.685 0 50 EHAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C(C)C)O2 14989209 KJSJJVJDTZUNEC-KRWDZBQOSA-N 337.419 3.632 0 50 EHAA CC1=CC[C@H]2C(=O)N(c3ccc(Br)cc3C)C(=O)[C@@H]2C1 17988004 YXSAFFXYMGIBBR-CHWSQXEVSA-N 334.213 3.603 0 50 EHAA CS(=O)(=O)c1ccc(-c2cccc(-c3ccn(CCF)n3)c2)cc1 19226433 NXJBIWIENLKDAN-UHFFFAOYSA-N 344.411 3.590 0 50 EHAA Cc1nc[nH]c1-c1nc2c(cnn2Cc2ccccc2C(F)(F)F)[nH]1 19299937 QXFMLOUKSBTMQS-UHFFFAOYSA-N 346.316 3.525 0 50 EHAA CCOCC1(C(=O)Nc2cccc(Cn3cnc4ccccc43)c2)CC1 225648139 MGTCDCRRYQXAMI-UHFFFAOYSA-N 349.434 3.840 0 50 EHAA COc1ccccc1-c1ccc(N(C)C[C@H](C)c2nccs2)nn1 952883644 VXEJJRHOKWWYCE-ZDUSSCGKSA-N 340.452 3.849 0 50 EHAA O=C(c1c[nH]nc1-c1cccs1)N1CC2(CCC2)c2ncccc21 1875311657 IXBXANMAGSRPRO-UHFFFAOYSA-N 336.420 3.615 0 50 EHAA COc1cc(-c2nnc(-c3cccnc3C)o2)ccc1OC(C)C 1322231581 WZWZLPCQCBDBEU-UHFFFAOYSA-N 325.368 3.903 0 50 EHAA CCOc1ccc(-c2nc(N)ncc2-c2ccc(OC)cc2)c(O)c1 13122670 KWXXZZLVJJOBGP-UHFFFAOYSA-N 337.379 3.506 0 50 EHAA CC[C@H]1CCc2sc(C(=O)N3[C@@H](C(=O)O)CCC3(C)C)cc2C1 2325791149 ZBNTZAYLPJSKMY-WCQYABFASA-N 335.469 3.731 0 50 EHAA Cc1cc(-c2ccccc2)nc2cc(C(=O)NCc3cccs3)nn12 317993 RSRDNFZEFKLFLU-UHFFFAOYSA-N 348.431 3.696 0 50 EHAA Cc1ccccc1NC(=S)NC(=O)c1cccc(Br)c1 361395 HEGLZZCJRVMIDM-UHFFFAOYSA-N 349.253 3.884 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 381085 HNOXYRUTZPAAFZ-UHFFFAOYSA-N 332.403 3.683 0 50 EHAA CCCCN(CC)C(=O)c1cccc(I)c1 2728858 ZBPZIFPCRCMFBS-UHFFFAOYSA-N 331.197 3.553 0 50 EHAA COc1ccc(Cc2nnc(NC(=O)C3CCCCC3)s2)cc1 6244522 IOWXRLGOUKDQNZ-UHFFFAOYSA-N 331.441 3.656 0 50 EHAA CC(C)[C@H](SCc1ccccc1)C(=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 412811358 PLWLSGSQIKOKFB-RDGPPVDQSA-N 347.524 3.564 0 50 EHAA CC[C@H](C)c1ccccc1OCC(=O)N1CC[C@@H](c2ccccn2)C1 225600339 JPTIJRHZSVJAGI-DLBZAZTESA-N 338.451 3.990 0 50 EHAA CCc1ccc(CNc2ccc(Cl)c(CN(C)CCO)c2)cc1 225836112 BMFQEKISRCRMTH-UHFFFAOYSA-N 332.875 3.939 0 50 EHAA CCCCSc1nnc(NC(=O)CSc2ccccn2)s1 9526203 CPFVWPZSPNFOIU-UHFFFAOYSA-N 340.499 3.556 0 50 EHAA Cn1nc(-c2ccccc2)cc1NC(=O)Cn1ccc2c(F)cccc21 23543076 YFSSRPQBFKFBOQ-UHFFFAOYSA-N 348.381 3.820 0 50 EHAA Cn1ccnc1C(=O)c1cccc(-c2cccc(-c3cc[nH]n3)c2)c1 20867338 PVYJHLQPOHMOSE-UHFFFAOYSA-N 328.375 3.708 0 50 EHAA Cc1cccc2[nH]c([C@H]3CCCN(Cc4ccccc4C(=O)O)C3)nc12 67690966 AMGAOFIVSUTQTL-INIZCTEOSA-N 349.434 3.949 0 50 EHAA O=C(Nc1ncc(C2(O)CCC2)s1)c1ccc(F)c(Cl)c1 143322297 ILXVNGJDYBXBLK-UHFFFAOYSA-N 326.780 3.559 0 50 EHAA C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3)C(=S)N21 486217 IGMQTKVSBWAGJG-PXAZEXFGSA-N 347.443 3.787 0 50 EHAA biogenic CC(CNC(=O)[C@H]1CCC[C@@H](O)C1)(c1ccccc1)c1ccccc1 219615568 IEJNBDYCXWMGFW-FXAWDEMLSA-N 337.463 3.660 0 50 EHAA CCc1cc(-c2nccn2CC2(c3ccccc3)CCOCC2)n[nH]1 71754554 IDVQXNNLMSVCAT-UHFFFAOYSA-N 336.439 3.584 0 50 EHAA O=C(c1ccccc1)[C@H]1CCCN(C(=O)c2cccc(F)c2F)C1 77342986 TZPHFDPDYUHLCO-AWEZNQCLSA-N 329.346 3.700 0 50 EHAA Cc1nc([C@@H](C)N(C)C(=O)CN(C)Cc2ccc(F)cc2)c(C)s1 222376874 CYSNVXNXCYSVLP-GFCCVEGCSA-N 349.475 3.550 0 50 EHAA Cc1nccn1CCCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 82083194 JRANAWLOKNQQDU-GOSISDBHSA-N 329.419 3.865 0 50 EHAA FC1(c2ccccn2)CCN(Cc2nc(-c3cccs3)no2)CC1 289262881 DHOBHXXLXWAYFG-UHFFFAOYSA-N 344.415 3.654 0 50 EHAA O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1 20279125 WCBKJWMRGQRKHJ-MRXNPFEDSA-N 346.789 3.722 0 50 EHAA Cc1cc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc(O)n1 180356208 HPNDDGHCUKQXST-GOSISDBHSA-N 335.407 3.944 0 50 EHAA CCCCc1ccc(NC(=O)N2CCN(c3cccnc3)CC2)cc1 96140089 UYHIGBBAAVYRAV-UHFFFAOYSA-N 338.455 3.778 0 50 EHAA COc1cc(SC)c(OC)cc1CCNCc1ccccc1OC 95726642 ZWPIZVVOKGWMFW-UHFFFAOYSA-N 347.480 3.767 0 50 EHAA in-vitro COc1ccc(NC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 179120519 BBXVWUBPMUSXII-HNAYVOBHSA-N 340.423 3.985 0 50 EHAA O=C(c1ccccc1)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 91645571 TUHBJBJUPLMKPV-RBBKRZOGSA-N 348.490 3.856 0 50 EHAA C[C@@H]1CN(Cc2cnc(C3CCCCC3)nc2)CC[C@@]1(O)C1CC1 91270387 LODIZLXNTWAKKU-QRWLVFNGSA-N 329.488 3.507 0 50 EHAA CCCCc1ncc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)[nH]1 584887969 PEAQYYVJIGLPCO-UHFFFAOYSA-N 347.890 3.889 0 50 EHAA O=C(CCc1cccnc1)NCC[C@@H](c1ccccc1)c1ccco1 670455795 CGPUFKAHMNYCTC-IBGZPJMESA-N 334.419 3.946 0 50 EHAA CC(C)c1cc(Br)ccc1NC(=O)NCCC[C@H](C)O 278868225 RPEXSWRRPGPELI-NSHDSACASA-N 343.265 3.855 0 50 EHAA CCCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C 170615088 YRJHIDZWBVGDLA-HNNXBMFYSA-N 345.464 3.924 0 50 EHAA COc1ccc(CNc2ncn(-c3ccccc3)n2)c(OC(C)C)c1 170607156 LLSSXUQROUMIMW-UHFFFAOYSA-N 338.411 3.675 0 50 EHAA Cc1noc([C@@H]2CC[C@H](CNc3cc(C(C)C)nc(C(C)C)n3)O2)n1 275388603 PHFFMGCHYWXMPX-HIFRSBDPSA-N 345.447 3.747 0 50 EHAA COc1cc(NCCNc2ccnc3cc(F)ccc23)cc(OC)c1 301806213 VPMGBFSKEGIUKC-UHFFFAOYSA-N 341.386 3.915 0 50 EHAA O=C(c1ccccc1Cl)N(Cc1ccccn1)[C@H]1CCCNCC1 186610697 QFZZZRIFAQWPQI-INIZCTEOSA-N 343.858 3.520 0 50 EHAA Cc1nn(C)cc1[C@@H](C)Nc1ncc(Cl)cc1Br 192715650 KCJWJOHVXOZUQZ-SSDOTTSWSA-N 329.629 3.713 0 50 EHAA CCO[C@H](CNC(=O)c1cc(Cl)nc(Cl)c1)c1ccccc1 772750814 GTILYXYVLHSQBD-CYBMUJFWSA-N 339.222 3.896 0 50 EHAA O=C(O)[C@H](c1cccc(-c2ccccc2)c1)N1CCC(CCO)CC1 1506407141 UIBHEVVEZIWPRN-FQEVSTJZSA-N 339.435 3.574 0 50 EHAA CO[C@@H]1CCC[C@]12CCCN(Cc1cc(-c3ccncc3)no1)C2 1704338048 KDILZRGVISYURU-RTBURBONSA-N 327.428 3.518 0 50 EHAA COc1cccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)c1OC 15940979 GVWVIWLYCGTZER-UHFFFAOYSA-N 348.402 3.942 0 50 EHAA Cc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cs1 16603775 FHBYRBLNRDVKFR-UHFFFAOYSA-N 334.872 3.668 0 50 EHAA CCc1ccc(OC(C)(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 16604793 XYHPUSJLYJSLAN-UHFFFAOYSA-N 341.407 3.816 0 50 EHAA Fc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1F 19805703 YMFUKNNKTMFBMH-QPJJXVBHSA-N 328.406 3.796 0 50 EHAA Cc1nc(CC(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)cs1 1857717819 ZSVHIDZCJSOUOS-MSOLQXFVSA-N 344.480 3.619 0 50 EHAA CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NC[C@H](C)O 4341528 BDOSSSUDGBKZJJ-QMMMGPOBSA-N 343.210 3.511 0 50 EHAA Clc1cccc(-c2nc(CNc3cccc4c3OCCO4)no2)c1 121603582 GAEFNPVAIARXOO-UHFFFAOYSA-N 343.770 3.773 0 50 EHAA CCOC1CC2(CCN(Cc3nc(-c4cccc(Cl)c4)no3)C2)C1 329062112 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Nc1cc(C(=O)O)c(Oc2ccc(Cl)cc2Cl)cc1C(=O)O 254823 ZWPRBBDVCWESEY-UHFFFAOYSA-N 342.134 3.764 0 50 EHAA COC(=O)[C@H](C(=O)N1CCCc2ccccc21)C1CCCCCC1 616382 NKYBNIBFXZSLNU-SFHVURJKSA-N 329.440 3.725 0 50 EHAA CC[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(C)on1 9449775 KSCZTXRMIIZFEN-GFCCVEGCSA-N 339.189 3.542 0 50 EHAA CC(=O)NCCCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 53353216 GWDZCQQJMOEHPY-UHFFFAOYSA-N 346.814 3.987 0 50 EHAA O=C(COc1ccccc1F)Nc1ccc(OC(F)(F)F)cc1 1424635 RGNDUBVPXGGHRI-UHFFFAOYSA-N 329.249 3.742 0 50 EHAA Cc1ccc(CN(Cc2ccco2)C(=O)N[C@@H]2CCO[C@@H]2C)s1 134432768 AAIVIDHVJVBKLY-CZUORRHYSA-N 334.441 3.539 0 50 EHAA CCc1oc(C(=O)N(C)[C@@H](C)c2ccon2)cc1CN(CC)CC 55269810 IBWMTFSYSQRBCS-ZDUSSCGKSA-N 333.432 3.505 0 50 EHAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2c(s1)CCCC2 247862962 WORHOXNYCWYXFZ-CFVMTHIKSA-N 347.480 3.573 0 50 EHAA Cc1ccc(CN2C[C@@H](c3ncc(-c4ccsc4)[nH]3)CC2=O)cc1 23159139 ANLIWMZAZWXBHM-INIZCTEOSA-N 337.448 3.963 0 50 EHAA C[C@@H](c1ccccc1)N1CC[C@@H](NC(=S)NC2CCCCC2)C1 229766675 ZIMFDRZGALDRAC-MAUKXSAKSA-N 331.529 3.619 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)[C@H](C)n1ncc2ccccc2c1=O 65362811 NUGUBPMSJVLCJX-LBPRGKRZSA-N 341.798 3.558 0 50 EHAA CC(=O)Oc1c(Br)cc(Br)c2cccnc12 295234 MUIOQQIOJYTXPZ-UHFFFAOYSA-N 344.990 3.685 0 50 EHAA CCc1ncnc(N[C@@H](c2ccccn2)c2ccccc2OC)c1F 253416990 QORNRCFTOAARGX-GOSISDBHSA-N 338.386 3.783 0 50 EHAA Cn1cc([C@@H]2C[C@H]2C(=O)N(c2ccccc2F)C2CCCC2)cn1 367405671 QDYCPTVNVDBWNW-JKSUJKDBSA-N 327.403 3.639 0 50 EHAA COCc1cc(N2CC(C)(C)[C@H]2c2ccncc2)nc(C(C)(C)C)n1 368029744 PJICWQQXYWWLRH-QGZVFWFLSA-N 340.471 3.903 0 50 EHAA CCCc1ncc(CN2CCC(Oc3cccc(C)c3)CC2)cn1 72418290 ULXZQLYJKATNLW-UHFFFAOYSA-N 325.456 3.781 0 50 EHAA CCCO[C@H]1CCCN(Cc2cnc(-c3ccc(OC)cc3)nc2)C1 215616742 RNSXRDCQVBAYFJ-IBGZPJMESA-N 341.455 3.543 0 50 EHAA CN1CC[C@H](NCc2cccc(C(=O)O)c2)[C@@H]1c1ccc(Cl)cc1 263387655 DJKYYEXSBFUQKS-ROUUACIJSA-N 344.842 3.573 0 50 EHAA Cc1ccccc1-c1cccc(C(=O)N2CCCC[C@H]2CC(N)=O)c1 220296878 HUHXXNXCSREZHH-SFHVURJKSA-N 336.435 3.532 0 50 EHAA COc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1F 46507721 YWAALPMBEYGSTR-MRXNPFEDSA-N 345.370 3.644 0 50 EHAA COc1ccc(Cl)cc1NC(=O)N(C)CC[C@H]1CCCCO1 96722980 WXZWECUYBDOYAF-CYBMUJFWSA-N 326.824 3.772 0 50 EHAA O=C(NCc1ccc2c(c1)CCCO2)Nc1ccnn1C1CCCC1 96165034 MRNZTDKEUZNODX-UHFFFAOYSA-N 340.427 3.645 0 50 EHAA CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 239274756 AQQROLPNBMFHBE-IDCNUPLLSA-N 336.520 3.648 0 50 EHAA CN(C)c1ccc(Cl)cc1NC(=O)CCn1cnc2ccccc21 248144979 VNLMLHOPVAWAQD-UHFFFAOYSA-N 342.830 3.785 0 50 EHAA C[C@@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)c1cccnc1 181415729 SXKKLXUZTSPNKV-SNVBAGLBSA-N 339.317 3.747 0 50 EHAA Cc1nc(C)c(C)c(N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)n1 244899820 ZQXLGELLPFJRMH-IMFGXOCKSA-N 348.450 3.874 0 50 EHAA Cc1ccc([C@@H]2Cn3nc(C(=O)NC4CCCCC4)cc3CO2)cc1 263617922 QLAPRLDBHIKZQV-IBGZPJMESA-N 339.439 3.526 0 50 EHAA CO[C@@H]1CCC[C@@H](CC(=O)N2CCC[C@H]2CC(=O)c2cccs2)C1 280080584 YAFJBNAJRIIFIM-OWCLPIDISA-N 349.496 3.907 0 50 EHAA Cc1ccc(-c2nc(-c3ccc(CN4CCCC4=O)cc3)no2)s1 273854201 LNSRVEFOBCVBAL-UHFFFAOYSA-N 339.420 3.896 0 50 EHAA C[C@H]1C[C@H](NC(=O)NCC(C)(C)c2cccc(Cl)c2F)CCO1 274413293 OZUVIRFNXHLYLH-NWDGAFQWSA-N 342.842 3.623 0 50 EHAA COC(=O)CC1(CC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)CCCC1 189642280 VANZDBZLIUJJPT-RDJZCZTQSA-N 344.455 3.505 0 50 EHAA CN(Cc1nc2ccccc2[nH]1)C[C@H]1CCCN1Cc1ccccc1 1506416004 GBMTXZKEPJUKPN-GOSISDBHSA-N 334.467 3.659 0 50 EHAA Cn1nc(C(F)F)cc1C(=O)Nc1nc2c(s1)CCCCCC2 1529098907 PAJGDGZCQSRGFJ-UHFFFAOYSA-N 340.399 3.726 0 50 EHAA CCc1nnc(NC(=O)/C=C/c2ccc(Br)cc2)s1 475105 AWGWVDANIWUYFQ-VMPITWQZSA-N 338.230 3.515 0 50 EHAA O=C(c1sccc1Cl)N1CCCN(CC[C@@H]2CC2(F)F)CC1 1772712567 URBLEDFZHZHPIN-LLVKDONJSA-N 348.846 3.595 0 50 EHAA O=C1CC[C@@H](CCNCc2ccccc2)N1CCc1ccccc1F 12036977 BOUUIBAYGADOBG-IBGZPJMESA-N 340.442 3.539 0 50 EHAA Cc1ccc(C)c(NC(=O)Cc2noc(-c3cccc(F)c3)n2)c1 16578394 UUKQKSZMHVYHFZ-UHFFFAOYSA-N 325.343 3.674 0 50 EHAA O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCCCC1 19418400 SQDJDMBKCITAOW-UHFFFAOYSA-N 334.463 3.871 0 50 EHAA C[Si](C)(C)CCOCO[C@]12C=C(Br)CC[C@@H]1OC2 169832677 HYPRJPWHJVHUQY-STQMWFEESA-N 335.314 3.526 0 50 EHAA CC[C@@H](C)Sc1nc2ccc(NC(=O)/C=C/C(=O)O)cc2s1 1573708 ZYNLXGWOIYOXPN-XCODYQFDSA-N 336.438 3.766 0 50 EHAA CCCC[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCO3)C[C@H](C2CC2)O1 1857716444 MOSIZSDFEAEIRN-CRAIPNDOSA-N 346.427 3.617 0 50 EHAA CCc1oc(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1C 124477144 UDNAPBPIMPHARQ-UHFFFAOYSA-N 346.814 3.948 0 50 EHAA CC(C)c1occc1C(=O)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 331364855 CIHYWCMYSYTRIK-LJQANCHMSA-N 347.842 3.876 0 50 EHAA Cc1c(Br)cc(F)cc1C(=O)Nc1n[nH]cc1C1CC1 823475739 SEMFMLQVMIFCOB-UHFFFAOYSA-N 338.180 3.749 0 50 EHAA CC(C)(C)c1ccc(Cc2noc(C3(O)Cc4ccccc4C3)n2)cc1 1320880945 AJFGBXWWNMTMRB-UHFFFAOYSA-N 348.446 3.944 0 50 EHAA COc1ccc(NC(=O)CCSc2nc3ccccc3o2)cc1 110187 XIEVNQORUYFTDB-UHFFFAOYSA-N 328.393 3.957 0 50 EHAA Cc1c(O[C@H]2CCCCC2=O)ccc2c3c(c(=O)oc12)CCCC3 407787 MFXQCAPCKZAWHW-SFHVURJKSA-N 326.392 3.871 0 50 EHAA COc1cccc([C@@H](C)NC(=S)Nc2ccc(C(C)=O)cc2)c1 2853356 JBXCXSDRFRMXBX-GFCCVEGCSA-N 328.437 3.945 0 50 EHAA Cc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 3266251 IPXOLBYCZSHHQN-UHFFFAOYSA-N 342.464 3.562 0 50 EHAA C[C@H](CN1CCCCC1)OC(=O)COc1ccc(C(C)(C)C)cc1 4550660 VNHPFMCKVFIJRI-MRXNPFEDSA-N 333.472 3.781 0 50 EHAA COc1ccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)cc1 4843102 IHAJKNUENNXWBV-CQSZACIVSA-N 332.197 3.736 0 50 EHAA O=C(CCc1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 4867493 SSJHDBYLNQYEKS-UHFFFAOYSA-N 341.798 3.639 0 50 EHAA Cc1nc2cc(-c3ccc(Br)cc3)nn2c(O)c1Cl 6556381 OQAIOXOEYUQKEY-UHFFFAOYSA-N 338.592 3.826 0 50 EHAA CC[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)no1)c1ccccc1 7759530 UTUKZQGYAYYRQW-QGZVFWFLSA-N 335.407 3.889 0 50 EHAA CCc1ccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)nc1 67489611 DRZZWSRILPIZNO-UHFFFAOYSA-N 329.407 3.946 0 50 EHAA CCc1cccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c1 21806967 ZVQBNEFFXKMSDF-UHFFFAOYSA-N 331.725 3.907 0 50 EHAA C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NCc1cc(Cl)cs1 248732926 MHAYETPTHCRDJN-CXAGYDPISA-N 335.904 3.797 0 50 EHAA Cc1ccc(CCNC(=O)Nc2nnc(-c3ccco3)s2)s1 23311128 FXWMAAUUVGHOTE-UHFFFAOYSA-N 334.426 3.532 0 50 EHAA Cc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cn1 117188702 UJCITIYGMGHVCU-UHFFFAOYSA-N 330.815 3.727 0 50 EHAA COc1cc(CN(C)Cc2cccc3ncccc23)cc(F)c1O 67447382 ZXDDHGQOOSXHSF-UHFFFAOYSA-N 326.371 3.720 0 50 EHAA CSCCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2)C1 12302731 DWIPVBKOCVTIQB-HXUWFJFHSA-N 346.540 3.563 0 50 EHAA C=Cc1ccc(C(=O)N(CC)c2ccccc2S(=O)(=O)CC)cc1 253416595 VPOAKSHKQDSLCT-UHFFFAOYSA-N 343.448 3.790 0 50 EHAA O=C(NC1CC1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 6414382 FKJXEZPIEHSKIO-UHFFFAOYSA-N 346.386 3.565 0 50 EHAA CC(C)c1nc(/C=C/c2cnn(Cc3ccccc3)c2)ncc1C(=O)O 172488475 HJSFUBVNSAEZIA-CMDGGOBGSA-N 348.406 3.713 0 50 EHAA COc1cc(N[C@H]2CCCN(Cc3cnc(C)s3)C2)cc(OC)c1 155117615 NPPKGXCREMESMY-AWEZNQCLSA-N 347.484 3.545 0 50 EHAA CC(C)[C@@H]1CN(c2ccnc3ccccc23)CCC(=O)N1CC1CC1 71775744 RLLVKSLZBPZHTG-FQEVSTJZSA-N 337.467 3.708 0 50 EHAA Cc1cccc(OCC(=O)Nc2cccc(NC(=O)C3CC3)c2C)c1 36567570 JRAFCFUTFPMIIK-UHFFFAOYSA-N 338.407 3.669 0 50 EHAA CN(Cc1ccco1)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 155217254 NEWZMEKSUCAFEK-GOSISDBHSA-N 339.370 3.745 0 50 EHAA COc1ccc(F)c(CN(C)Cc2ccc(-n3cccn3)cc2)c1 216383848 ZHSCEMACSZPFKK-UHFFFAOYSA-N 325.387 3.652 0 50 EHAA COC(=O)c1cccc(CN2CCC[C@H]2c2cccc(OC)c2)c1 72154035 LUSFVAIUDDLUNV-IBGZPJMESA-N 325.408 3.819 0 50 EHAA Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)c1 72442074 GRSJNZBEMXOPIO-KRWDZBQOSA-N 338.451 3.631 0 50 EHAA Cc1c(C(=O)N2CCCC[C@H]2c2cccn2C)oc2c1C(=O)CCC2 173557474 IEJQVZRYKCEJGS-HNNXBMFYSA-N 340.423 3.813 0 50 EHAA Cc1noc(C)c1C(C)(C)NC(=O)c1cc(Br)cs1 286855505 ZFIQBFZKMFDPLK-UHFFFAOYSA-N 343.246 3.781 0 50 EHAA O=C(NCCc1c[nH]c2ccccc12)c1cccc(-c2cc[nH]n2)c1 426359046 LIOXVAKRZHYNQJ-UHFFFAOYSA-N 330.391 3.531 0 50 EHAA CCn1ccc(-c2nc(-c3ccco3)nn2C2CCCCC2)cc1=O 96132227 VVZZDTWBWUWXDZ-UHFFFAOYSA-N 338.411 3.892 0 50 EHAA CN(Cc1ccccc1C(F)(F)F)C(=O)c1cccc(C(=O)O)c1 97578900 VNZWGWPEJXQRSA-UHFFFAOYSA-N 337.297 3.676 0 50 EHAA C[C@@H](c1cncs1)N(C)C(=O)c1cnc(Nc2ccccc2)nc1 91678072 LBBLLJXZABGSOQ-LBPRGKRZSA-N 339.424 3.510 0 50 EHAA Cc1ccoc1CN(C)C(=O)Cc1sccc1Br 295398587 KLNPNTXWUFLCMY-UHFFFAOYSA-N 328.231 3.613 0 50 EHAA CCc1nc(-c2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)ccc1C 534635587 VYIPURSTJOIMEV-UHFFFAOYSA-N 348.450 3.625 0 50 EHAA CCCn1nc(-c2c[nH]c3ccccc23)nc1[C@H]1CC12CCNCC2 823033088 JUEXUVLBCJHDLC-MRXNPFEDSA-N 335.455 3.694 0 50 EHAA CC(C)N(C)C[C@H](O)CN[C@@H](C)c1ccc(Cl)c2ccccc12 1459995910 KUZUMHDWJHJAFZ-LSDHHAIUSA-N 334.891 3.845 0 50 EHAA Cc1ccc(F)c(NC(=O)C[C@@H](c2nccn2C)C(F)(F)F)c1 408517642 LFWWOXNRLKAHOD-JTQLQIEISA-N 329.297 3.542 0 50 EHAA CCOC(=O)N[C@H](Cc1ccccc1)c1csc(CCCOC)n1 408522779 DEVULSSXWMSDPK-OAHLLOKOSA-N 348.468 3.752 0 50 EHAA CC(=O)Nc1ccc(-c2noc(C[C@@H]3CCO[C@@H](C(C)C)C3)n2)cc1 273817306 XHRSMRMTDZFMHJ-RHSMWYFYSA-N 343.427 3.689 0 50 EHAA Cn1c([C@@H]2CCCN2Cc2nc3ccccc3n2C)nc2c1CCCC2 275538108 MMENPSCHAWJEII-IBGZPJMESA-N 349.482 3.523 0 50 EHAA Cc1ccc([C@H]2CN(Cc3ccc(-n4ccnc4)cc3C)CCO2)o1 192130374 MNGIAXKKSADPFX-HXUWFJFHSA-N 337.423 3.656 0 50 EHAA CSc1cccc(CN(C(=O)c2cc(C)nc(O)c2)C(C)C)c1 1506427969 VQQLNXYNHXKWLP-UHFFFAOYSA-N 330.453 3.868 0 50 EHAA Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cnn3c2NCCC3)c1 1506413116 HJTHALGZPORAAO-CQSZACIVSA-N 342.443 3.537 0 50 EHAA CC1=CC2(CCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)OCC1 1704302895 DYGHYPBSXFUFFZ-SFHVURJKSA-N 325.452 3.834 0 50 EHAA Fc1ccccc1N1CCN(c2ncnc3c2oc2ccccc23)CC1 5249746 GSBVYIHQPDMAED-UHFFFAOYSA-N 348.381 3.842 0 50 EHAA COc1ccc(CCC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 13326332 KDSDCNIHCMJAMW-UHFFFAOYSA-N 349.814 3.937 0 50 EHAA O=c1/c(=C\c2c(Cl)cccc2Cl)sc2nc3ccccc3n12 13477965 FIIFSGZAQXPHGW-RIYZIHGNSA-N 347.226 3.764 0 50 EHAA C[C@@H](c1ccon1)N(C)Cc1cn(C)nc1-c1cccc(Cl)c1 13594803 KYUVKPWTZHIBTB-LBPRGKRZSA-N 330.819 3.922 0 50 EHAA COc1cccc(CNCC[C@H]2CCC(=O)N2CC2CCCCC2)c1 14884126 BCGXVFVQGRBTEK-LJQANCHMSA-N 344.499 3.746 0 50 EHAA Cc1ccccc1CS(=O)(=O)Nc1ccccc1Br 16578436 SNJCZYFOLURBHS-UHFFFAOYSA-N 340.242 3.699 0 50 EHAA O=C([C@@H]1OC[C@@H]2COCC[C@@H]21)N1c2ccccc2C=Cc2ccccc21 1875273863 XEPPVIUOMAMKRU-BBTUJRGHSA-N 347.414 3.887 0 50 EHAA CCn1cc(Cl)cc1C(=O)N1CC=C(c2cccc(OC)c2)C1 907258034 QXCMKVUKIMEOEW-UHFFFAOYSA-N 330.815 3.709 0 50 EHAA CC(C)OCc1noc(CN2CCc3ccc(Cl)cc3[C@@H](C)C2)n1 930849963 RSTNSUGUCQYPOJ-ZDUSSCGKSA-N 349.862 3.810 0 50 EHAA CC(C)c1nc(CCNC(=O)[C@]2(C)CCOc3ccccc32)cs1 931563302 QHBSKZINYUWPID-LJQANCHMSA-N 344.480 3.666 0 50 EHAA C/C(=C/c1ccc(C2=NNC(=O)CO2)cc1)c1ccccc1Cl 1875354401 GLQYZLQVQUWFJP-BENRWUELSA-N 326.783 3.709 0 50 EHAA CCc1cc2c(N[C@@H](Cc3ccccc3)C(=O)O)nc(C)nc2s1 572982 VXRLJDNQIOOMIC-HNNXBMFYSA-N 341.436 3.670 0 50 EHAA CC[C@@H](NC[C@@H](CO)Cc1ccccc1C)c1ccccc1OC 2325742216 TVPKJCAHPCLBNT-FXAWDEMLSA-N 327.468 3.896 0 50 EHAA O=C(O)c1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 245527 IUPYUTYGBUGAJI-UHFFFAOYSA-N 342.351 3.900 0 50 EHAA Cc1nc2ccccc2n1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 857179 PUGGOYKRZQZRAG-MRXNPFEDSA-N 339.782 3.503 0 50 EHAA O=[S@](Cc1ccn(-c2ccc(F)cc2)n1)c1cc(F)ccc1F 225424100 DJHQQTHMZMPBQT-HSZRJFAPSA-N 336.338 3.597 0 50 EHAA Cc1cc([C@@H](C)OC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)no1 225855897 UOXQWSHXBXRSDZ-CYBMUJFWSA-N 344.411 3.563 0 50 EHAA CSc1ccc(CN(CCO)C(=O)c2ccc(Cl)s2)cc1 55393187 PQYQJOXSRQAKQI-UHFFFAOYSA-N 341.885 3.758 0 50 EHAA CC(C)[C@H](C)NC1CCN(c2ccc(N3C(=O)CC[C@H]3C)cc2)CC1 55360853 XLGRDSGJCNCQGY-SJORKVTESA-N 343.515 3.805 0 50 EHAA CC[C@@H](C(=O)O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 248956901 LSMJDGOGHDPHBI-ZBFHGGJFSA-N 329.444 3.660 0 50 EHAA CC[C@@H](NC(=O)Cc1nc2cc(Cl)ccc2[nH]1)c1ncccc1C 67641883 DHQUSELWOGEMQZ-CYBMUJFWSA-N 342.830 3.730 0 50 EHAA CCCC[C@@H]1CN(CCC(=O)N[C@@H](C)CC)Cc2ccccc2O1 11870246 MPTABDQFUILGFO-FUHWJXTLSA-N 332.488 3.745 0 50 EHAA CCc1ccc(C(C)(C)C(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 123278997 APWQEIVTMANAOB-LJQANCHMSA-N 338.451 3.602 0 50 EHAA COCc1ccc([C@H]2CCCN2C(=O)c2cccc3oc(C)nc23)o1 253421620 YZHOEGINBIWHMN-OAHLLOKOSA-N 340.379 3.853 0 50 EHAA C[C@@]12CC3CC(C(=O)N[C@@H]4CCN5CCC[C@H]5C4)(C1)C[C@](C)(C3)C2 252512645 UDAXJCVJNFABGB-ZDAGSOFHSA-N 330.516 3.726 0 50 EHAA CN1C(=O)C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C1=O 2560263 SWAWYMIKGOHZMR-UHFFFAOYSA-N 341.370 3.559 0 50 EHAA biogenic,in-vitro CC[C@]1(c2ccccc2)N=C(O)N(c2ccc(C(F)(F)F)nc2)C1=O 328595085 KIWLFASKXXSJMR-MRXNPFEDSA-N 349.312 3.667 0 50 EHAA O=C(c1ccnc(O)c1)N1CCC[C@@H]1C[C@H]1CCCc2ccccc21 328588978 VXQZPCPJBBXROW-SJLPKXTDSA-N 336.435 3.902 0 50 EHAA Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)c1C 125809829 VOVMKUONYXCKGH-IBGZPJMESA-N 346.434 3.861 0 50 EHAA CN1CCC(N(Cc2cccnc2)Cc2ccc3c(ccn3C)c2)CC1 72150144 JXHQZXNVUZSZBH-UHFFFAOYSA-N 348.494 3.670 0 50 EHAA COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2CCC(=O)O)c1 262300039 PXUYAGDDOLXIKR-QUCCMNQESA-N 325.408 3.701 0 50 EHAA CCC(CC)c1cc(C(=O)Nc2ccc(CCC(=O)O)cc2)on1 236719503 HPXBHUIFIQPHPJ-UHFFFAOYSA-N 330.384 3.848 0 50 EHAA NC(=O)C[C@@H]1CCCN(Cc2ccc(Oc3cccc(F)c3)cc2)C1 447730060 PEPXKAHXESSJFP-INIZCTEOSA-N 342.414 3.705 0 50 EHAA Clc1ccc(-c2nn3c(CN4CCCCCC4)nnc3s2)cc1 49546503 QAGHURMCJVCBJM-UHFFFAOYSA-N 347.875 3.882 0 50 EHAA Cc1nc2ccc(NC(=O)N[C@@H]3CCN(CC4CCCC4)C3)cc2o1 174812377 ULVBSFKNMLDDEY-MRXNPFEDSA-N 342.443 3.522 0 50 EHAA O=C(c1cn2cc(Cl)cnc2n1)N1CCCCC[C@H]1c1ccco1 82106801 KBWCAMWGLYNCDD-AWEZNQCLSA-N 344.802 3.733 0 50 EHAA O=C(c1cnc(C2CC2)nc1)N1CCC(Cc2ccc(F)cc2)CC1 95383776 KDBQMJWVUVKMST-UHFFFAOYSA-N 339.414 3.588 0 50 EHAA Clc1nc(NC2CCCCC2)c2ncn([C@H]3CCCCO3)c2n1 146603653 ISVXNEFJIRHZHT-GFCCVEGCSA-N 335.839 3.923 0 50 EHAA COCC1(C(=O)NCCc2ccccc2Oc2ccccc2)CCC1 97772767 HAADBTLJCLGGRC-UHFFFAOYSA-N 339.435 3.954 0 50 EHAA CC(=O)c1cc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3C)C2)cs1 91547565 BLLUPEWGCADJKS-DLBZAZTESA-N 343.448 3.559 0 50 EHAA C[S@](=O)C[C@@H](NCc1cc(F)cc2cccnc12)c1ccccc1 183097721 DDNJMNQMCGJQFB-KOSHJBKYSA-N 342.439 3.583 0 50 EHAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 250747620 MWJQKDSXKRYMDW-CTTWBBHYSA-N 334.202 3.551 0 50 EHAA Cc1cccc(CN(Cc2ccc(N(C)C)nc2)C[C@@H]2CCCO2)c1 952972081 UWUCDBPAXBFUCE-FQEVSTJZSA-N 339.483 3.637 0 50 EHAA CCOc1cc2nccc(NC[C@H](O)c3ccco3)c2cc1OCC 170626118 ZJYGOJKSVQKJLA-INIZCTEOSA-N 342.395 3.771 0 50 EHAA C[C@]1(O)CCCN(C(=O)Nc2cccc(CCC(F)(F)F)c2)CC1 279308611 DXOKAFGLSGRYGF-INIZCTEOSA-N 344.377 3.950 0 50 EHAA COc1ccc2nc(CN3CC[C@H](CN4CCCCC4)C3)sc2c1 187084096 FHDKMEKDOWPMAD-OAHLLOKOSA-N 345.512 3.613 0 50 EHAA COc1ccccc1N1CCC(Nc2nc(C3CC3)ns2)CC1 674246927 VBJGBICPPGHYSE-UHFFFAOYSA-N 330.457 3.505 0 50 EHAA CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc(-n3cccc3)c2)C1 731469809 YPSZNJNMVWKJEM-HXUWFJFHSA-N 345.446 3.610 0 50 EHAA COc1cccc(OC)c1C(=O)Nc1ccccc1Br 240270 WUBLLKBWWAOKRD-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA Fc1ccc(N2CCN(Cc3ccc(Br)o3)CC2)cc1 236786 XQRJEAHFFAEEKF-UHFFFAOYSA-N 339.208 3.503 0 50 EHAA CCc1nc(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)ncc1C 1704337666 YBFPKKNMCGXMLV-UZLBHIALSA-N 348.450 3.565 0 50 EHAA CCCSCc1nnc2sc(-c3cccc(N(C)C)c3)nn12 1776111079 UUFZMSDOHDGMMY-UHFFFAOYSA-N 333.486 3.562 0 50 EHAA Cc1ccc2c(C)nc(Nc3nc(-c4ccccc4)cc(=O)[nH]3)nc2c1 5013094 KWCVHBYZOTVDEP-UHFFFAOYSA-N 343.390 3.741 0 50 EHAA C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccncn2)CC1 412430844 UYSGMVAYRWQUPK-CQSZACIVSA-N 343.858 3.715 0 50 EHAA Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N(C)[C@H](C)C1CCCCC1 225758242 QZIVUSPOMRVWCK-DZGCQCFKSA-N 334.508 3.578 0 50 EHAA CCOC(=O)[C@@H]1CC[C@H](Nc2cccc(-c3nnco3)c2)C[C@H]1C 252516922 XWXCYSKGPLMKRD-UHOFOFEASA-N 329.400 3.516 0 50 EHAA FC(F)(F)c1ccccc1-c1nc(C(F)(F)F)n2c1CNCC2 904742801 VHRLVKFVDCEZAP-UHFFFAOYSA-N 335.251 3.691 0 50 EHAA CC(C)c1ccccc1NC(=O)[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 905844833 UCBWARHKQCCXPF-UKRRQHHQSA-N 332.444 3.909 0 50 EHAA CCCN(CCNC(=O)CC(C)(C)CC)c1ccnc(C(C)C)n1 1875302332 LHBKIMCSLNBUQD-UHFFFAOYSA-N 334.508 3.759 0 50 EHAA O=C1c2ccccc2CCC12CCN(Cc1cnc(C3CC3)o1)CC2 888100606 RSKRYNINLMFRHE-UHFFFAOYSA-N 336.435 3.963 0 50 EHAA CCc1ccc(-c2cnc(NS(=O)(=O)Cc3ccccc3)[nH]2)cc1 1776005477 CEKZAYCOKODPGD-UHFFFAOYSA-N 341.436 3.581 0 50 EHAA Cc1[nH]c2ccccc2c1CCNC(=O)CCC(=O)c1ccccc1 2875984 GGDVLEZRUWOZCV-UHFFFAOYSA-N 334.419 3.798 0 50 EHAA biogenic,in-vitro CCOc1ccc(S(=O)(=O)NCc2cccs2)c2ccccc12 4487254 NKHNQJNBJJHEGP-UHFFFAOYSA-N 347.461 3.779 0 50 EHAA Fc1cc(Br)ccc1NC(=S)Nc1cccnc1 13520088 FQHDKFAXVRVVMU-UHFFFAOYSA-N 326.194 3.792 0 50 EHAA CCCc1ccc(OCC(=O)Nc2cc(OC)ccc2OC)cc1 128418 YBHIUGGUHVIMJV-UHFFFAOYSA-N 329.396 3.674 0 50 EHAA Cc1ccc(NC(=O)CCC(=O)Nc2ccc(C)c(F)c2)cc1F 142065 ONONLISELWNEOX-UHFFFAOYSA-N 332.350 3.939 0 50 EHAA Clc1ccc(-c2nc(N3CCOCC3)nc3ccccc23)cc1 179186 YLQJJEMNHRUGIT-UHFFFAOYSA-N 325.799 3.787 0 50 EHAA C[C@@H]1CN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C[C@@H](C)O1 270089 QBWOAWBMDYYGON-HUUCEWRRSA-N 337.485 3.532 0 50 EHAA CC(C)Oc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 792175 ZYRPDVOALXUTGE-UHFFFAOYSA-N 340.423 3.563 0 50 EHAA CC1=C(C)C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)[C@@H](C(=O)O)C1 4902224 JAECESZJDZEUAG-SZMVWBNQSA-N 329.440 3.571 0 50 EHAA CCNc1nc(C)c(C(=O)N(Cc2ccncc2)[C@H](C)CC)s1 55401600 WGBZYMKPOFNMHM-GFCCVEGCSA-N 332.473 3.719 0 50 EHAA O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(N3CCCC3)ncc21 9547626 NPDPLRDSNIKWAS-CYBMUJFWSA-N 327.815 3.643 0 50 EHAA CC(C)Oc1ccccc1C(=O)N1CCc2c(nc(C(C)C)n2C)C1 112664882 KVQGKOHNTKGDPA-UHFFFAOYSA-N 341.455 3.529 0 50 EHAA Cc1cc(C(=O)Nc2cnccc2OC(C)(C)C)nn1[C@@H](C)C1CC1 347036643 RLEULOGUOFABQQ-ZDUSSCGKSA-N 342.443 3.987 0 50 EHAA Cc1ccc(-n2cc(CN3CCOCC3)c(-c3cccc(C)c3)n2)cc1 20599386 PBHSTJBJLJKGKM-UHFFFAOYSA-N 347.462 3.988 0 50 EHAA CNC(=O)Cn1ccc(-c2cccc(-c3ccccc3SC)c2)n1 20451467 VZELKEOWGOHNDG-UHFFFAOYSA-N 337.448 3.685 0 50 EHAA Fc1ccc2oc(CN3CCC[C@@H]3c3nc4c([nH]3)CCCC4)nc2c1 328621361 AJLZKDVSNGPISY-MRXNPFEDSA-N 340.402 3.906 0 50 EHAA CC(=O)NCC[C@@H]1CCCN(Cc2cccc3c(C)c(C)[nH]c23)C1 67878448 TVNRUHVCOXOXRF-KRWDZBQOSA-N 327.472 3.523 0 50 EHAA CC(=O)c1ccc(NCC2CCN(C(=O)C(C)(C)C)CC2)cc1C 252490525 KWGPLBFDVLSRNL-UHFFFAOYSA-N 330.472 3.894 0 50 EHAA C[C@@H](OC1CCCCCC1)C(=O)Nc1nc(-c2cnn(C)c2)cs1 119285620 FCZGXZMLIIUMIL-GFCCVEGCSA-N 348.472 3.610 0 50 EHAA Cc1nnc(CN2CCCCC[C@@H]2C[C@@H](O)c2cccs2)s1 253418366 CQGIJLSNEJPASB-ZIAGYGMSSA-N 337.514 3.776 0 50 EHAA Cc1nn(C)c2c1[C@H](c1ccc(OC3CCCC3)cc1)CC(=O)N2 72117321 GVOVPPDERVGQAH-INIZCTEOSA-N 325.412 3.524 0 50 EHAA CNc1nc(C(=O)N2CCCC[C@H]2CCc2cccc(O)c2)cs1 77505135 DWZYCPUKZHIWMX-AWEZNQCLSA-N 345.468 3.518 0 50 EHAA Cn1cc(/C=C/c2nc3ccc(C(=O)O)cc3s2)c(C(F)F)n1 359157666 GKPKPJQMJHNHET-HWKANZROSA-N 335.335 3.836 0 50 EHAA CN(C)Cc1csc(CN2CCC[C@H](C(=O)c3ccccc3)C2)c1 72475410 SXADKNIPWFKZAT-SFHVURJKSA-N 342.508 3.905 0 50 EHAA CC[C@@H](CNC(=O)C[C@H]1CCCC[C@@H]1O)Oc1ccccc1Cl 242287994 YKCLSYXOMLPJNG-YCPHGPKFSA-N 339.863 3.555 0 50 EHAA ClC1=C(Cl)[C@@]2(Cl)[C@@H]3CC=C[C@H]3[C@@]1(Cl)C21OCCO1 139045088 IQCLSRUVEQYARZ-QPYBSBGSSA-N 328.022 3.593 0 50 EHAA O=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCC1(CO)CC1 95510530 KCAPJNHWRZKFRI-QGZVFWFLSA-N 343.854 3.751 0 50 EHAA CC[C@@H](C)COC(c1ccccc1)(c1ccccc1)[C@@H](O)C(=O)OC 334163550 WSGUVTRWNPKRPW-APWZRJJASA-N 342.435 3.527 0 50 EHAA CC(=O)c1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1 95355274 HCVNLIMOTJGCPX-JTHBVZDNSA-N 348.490 3.986 0 50 EHAA O=C1CC[C@@]2(CCOC2)CN1CCSCc1cccc(Cl)c1 91859271 YNHXGIUQWSRVTK-QGZVFWFLSA-N 339.888 3.602 0 50 EHAA Fc1cccc(Cc2nc(-c3nc(-c4ccccn4)no3)cs2)c1 182507720 LTUUSVSRDKGXFJ-UHFFFAOYSA-N 338.367 3.985 0 50 EHAA Cc1ccc(SCCNC(=O)N(C)CCC[C@@H]2CCCO2)cc1 534649394 WVIOVQPABHPXLT-MRXNPFEDSA-N 336.501 3.688 0 50 EHAA CC[C@H](C)N(Cc1ccncc1)C(=O)Nc1ccc2c(cnn2C)c1 299802819 QNXKVHHEOSMMCD-AWEZNQCLSA-N 337.427 3.801 0 50 EHAA O=C(NCCc1cccs1)[C@@H](c1ccc(F)cc1)N1CCCCC1 827647779 YKYTXEFDBKVSNM-GOSISDBHSA-N 346.471 3.773 0 50 EHAA COCCCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CC12CCCC2 952982193 JWROYBIYEIUZHS-SFHVURJKSA-N 331.456 3.641 0 50 EHAA CCC[C@@H]1C[C@H](c2nc(-c3ccc(N4CCCC4)cn3)no2)CCO1 273903150 PMHMUHYGGNRKLZ-GDBMZVCRSA-N 342.443 3.795 0 50 EHAA Cc1nc(CNC(=O)[C@@H]2CCCO[C@H]2C)oc1-c1ccc(Cl)cc1 276968460 XLBUIPSTPUUEBE-SWLSCSKDSA-N 348.830 3.735 0 50 EHAA Fc1ccc2c(c1)[C@H](NCc1c[nH]nc1-c1ccccc1F)CCO2 189583641 NZZNYDASQQRVIX-QGZVFWFLSA-N 341.361 3.968 0 50 EHAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ccc(C(=O)O)o1 191648041 BVHRSRLTBDZBSC-JTQLQIEISA-N 336.413 3.699 0 50 EHAA COc1ccc(C(=O)Nc2cccc(Br)c2)cc1OC 409467 GMYHKCFDYRAKQF-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA c1ccc(-c2cnnc(NCc3c[nH]nc3-c3ccccc3)n2)cc1 11661131 LYWDJFRBDXWPMO-UHFFFAOYSA-N 328.379 3.541 0 50 EHAA CC(=O)c1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)cc1 12380148 MHCSCXGLXVULNB-UHFFFAOYSA-N 333.343 3.966 0 50 EHAA CCOc1cccc(NS(=O)(=O)Cc2ccccc2Cl)c1 13649697 FKOMKFKAMQWCSH-UHFFFAOYSA-N 325.817 3.681 0 50 EHAA c1ccc(CN(Cc2ccc3cn[nH]c3c2)CC2CCOCC2)cc1 124950745 XLCBNUUAGGUNML-UHFFFAOYSA-N 335.451 3.992 0 50 EHAA CC(C)[C@H](C(=O)N(C)C)n1ccnc1-c1ccc2cccc(F)c2n1 1857681548 MWEZDUKNSOOFHE-QGZVFWFLSA-N 340.402 3.523 0 50 EHAA O=C(NCCCNc1ccccc1)c1sccc1Br 408512864 KZTIMHYZBGYXNK-UHFFFAOYSA-N 339.258 3.743 0 50 EHAA Cn1cncc1CN[C@H]1CCCOc2c1ccc(Cl)c2Cl 340192392 NWKPQJSQESEVKL-ZDUSSCGKSA-N 326.227 3.730 0 50 EHAA Cc1cccc(C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)O)c1Cl 455907040 ACZRGJYZRUCNDT-CJNGLKHVSA-N 345.826 3.710 0 50 EHAA CO[C@H](Cn1nc(-c2ccc(Cl)s2)ccc1=O)C1CCCC1 664101884 IYRPQQHEDQOQIG-CYBMUJFWSA-N 338.860 3.830 0 50 EHAA O=C(N[C@@H]1C[C@H]1c1ccco1)c1ncc(C(F)(F)F)cc1Cl 822855059 WBHGMRXXQOOYHH-PSASIEDQSA-N 330.693 3.633 0 50 EHAA O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cc(C(F)F)ncn1 935787756 SHTFBHDUENSQGT-UMSPYCQHSA-N 337.757 3.744 0 50 EHAA CC(C)(CC(F)F)C(=O)Nc1nc2cc3c(cc2s1)OCO3 1875297469 RTBIHRADSDNBQQ-UHFFFAOYSA-N 328.340 3.645 0 50 EHAA CC1=N[C@@H](Cc2cc3ccccc3o2)C(=O)Nc2cc3c(cc21)OCO3 1875320086 GEAWNCJOPTZGRL-INIZCTEOSA-N 348.358 3.534 0 50 EHAA CCN(CC)CCOc1ccc(CN[C@H](C)c2conc2C)cc1 888098462 JILRFNSXOZECAR-OAHLLOKOSA-N 331.460 3.554 0 50 EHAA CCOP(=O)(CC(=O)N(C1CCC(C)CC1)C1CC1)OCC 1776004589 VOIZKACQGQQMIL-UHFFFAOYSA-N 331.393 3.822 0 50 EHAA Brc1cccc(OCCN2CCc3ccccc3C2)c1 20323195 BGVQTTPXHRMOIF-UHFFFAOYSA-N 332.241 3.886 0 50 EHAA Cc1ccccc1C[C@H](CO)CN[C@H](CC(C)C)c1ccccn1 2325742210 PBXCTHXLVRZONA-GHTZIAJQSA-N 326.484 3.918 0 50 EHAA CC(=O)c1cccc(NC(=O)CCC(=O)Oc2ccc(C)cc2)c1 142157 IIKLBCXHIZWDEG-UHFFFAOYSA-N 325.364 3.522 0 50 EHAA Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(cc12)CCC3 331089 OTVVVHCMHCQGQW-UHFFFAOYSA-N 327.384 3.759 0 50 EHAA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)Cc1ccccc1 4602352 IYEPRCUQVNADDM-UHFFFAOYSA-N 342.402 3.910 0 50 EHAA C[C@H]1Oc2ccc(NC(=O)c3cccc4ccccc34)cc2NC1=O 9499224 IHAUCAYLBCUESG-GFCCVEGCSA-N 332.359 3.812 0 50 EHAA Cc1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc2ccccc12 9575777 VEVDJWVWQWPLMI-UHFFFAOYSA-N 349.409 3.645 0 50 EHAA COc1ccc(-c2cc(O)n3nc(-c4cccc(F)c4)cc3n2)cc1 106299902 IDKRLCOKGLWZNB-UHFFFAOYSA-N 335.338 3.917 0 50 EHAA C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2nccc3ccccc23)C1 248059717 CUYYIPTWALRXFD-NUJGCVRESA-N 337.467 3.712 0 50 EHAA Cn1ccnc1[C@@H](O)C1CCN(Cc2csc3ccccc23)CC1 20599670 YRLKUDLYXVNJQT-SFHVURJKSA-N 341.480 3.580 0 50 EHAA CC(C)C[C@H](C(=O)NCc1nc(-c2cccs2)no1)n1cccc1 409413707 KRYZYXVYTSPMFI-CYBMUJFWSA-N 344.440 3.503 0 50 EHAA CC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1ccccc1 1388082 HPIQINNANNSXMO-UHFFFAOYSA-N 330.331 3.653 0 50 EHAA C[C@@H]1CCN(Cc2csc(-c3cnn(C)c3)n2)[C@@H]2CCCC[C@H]12 252517278 DOCLKQMVODZZPI-KBRIMQKVSA-N 330.501 3.944 0 50 EHAA Cc1ncoc1C(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 329812727 CMHLQDULVXOOPB-INIZCTEOSA-N 326.396 3.641 0 50 EHAA CC(C)c1ccccc1Oc1ccccc1C(=O)NCc1nnc[nH]1 253426136 BFYUIOANGZNSLR-UHFFFAOYSA-N 336.395 3.650 0 50 EHAA CC(C)c1ccc2c(c1)[C@H](N1C(=O)N[C@@H](Cc3ccccc3)C1=O)CC2 432224705 DOCJWERCBVHVQC-VQTJNVASSA-N 348.446 3.960 0 50 EHAA CC(C)C[C@@H](NC(=O)[C@H](C)c1ccccn1)c1nc2ccccc2[nH]1 253404998 XBYZAUJOOXABCN-RDTXWAMCSA-N 336.439 3.965 0 50 EHAA COc1cc(F)cc(NC(=O)c2cc(C)n(-c3ccccc3)n2)c1 128187687 JDOHSQJARUWVNM-UHFFFAOYSA-N 325.343 3.581 0 50 EHAA CN(Cc1ccc2ccn(C)c2c1)Cc1cc(-c2ccccn2)no1 216334179 VLMQXEFJZCBONM-UHFFFAOYSA-N 332.407 3.860 0 50 EHAA CCCN(C[C@H]1CCCCO1)C(=O)c1c[nH]nc1-c1ccc(F)cc1 172788502 VWTMQGMUFKXORW-MRXNPFEDSA-N 345.418 3.637 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)NCCc3cscn3)c2c1 77354947 YKMJLAFHZAXYAC-UHFFFAOYSA-N 325.437 3.535 0 50 EHAA COc1ccc(S(=O)(=O)N2Cc3ccccc3[C@H]2C)cc1Cl 340777129 IPNAWKNFLFSMIR-LLVKDONJSA-N 337.828 3.614 0 50 EHAA O=C(c1ccc(-c2cccc(-c3cc[nH]n3)c2)nc1)N1CCCCC1 20254848 MVNAQKNQVUDTFG-UHFFFAOYSA-N 332.407 3.765 0 50 EHAA O=C(N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1)C1CCCCCC1 220023489 SFNHUHOOWVDUQJ-AFMYVXGZSA-N 343.467 3.520 0 50 EHAA O=C1C[C@H](C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)c2ccccc2N1 239352723 ADFKHGVUXVWASG-YTQUADARSA-N 348.446 3.640 0 50 EHAA O=C(CCc1ccncc1)N(Cc1c(F)cccc1Cl)C1CC1 97217479 IMRNQMMEEJYRNR-UHFFFAOYSA-N 332.806 3.998 0 50 EHAA O=C1CCCN1c1ccc(C(=O)N2CCCC[C@H]2c2cccnc2)cc1 96148185 GOWLGVIQFQTPOZ-IBGZPJMESA-N 349.434 3.576 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12 239159510 MFOVPQXDIQABKL-LFSCOCTRSA-N 329.355 3.898 0 50 EHAA COc1ccc(/C=C/CN2CCC([C@H](O)c3ccccn3)CC2)cc1 97759358 FFQWKUYVFMTLCF-FNEOHHHZSA-N 338.451 3.549 0 50 EHAA CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccsc1)CC2 95379093 JINGHQRPBWDXOE-GOSISDBHSA-N 340.492 3.729 0 50 EHAA CC(C)c1noc(-c2ccnc(NCc3ccc([C@@H](C)O)cc3)c2)n1 180426380 ZTJVZIDQDYTCFR-CYBMUJFWSA-N 338.411 3.920 0 50 EHAA CCN1CCC[C@@H]1CNC(=O)c1cccc(-c2ccc(NC)cc2)c1 299790293 ASIGXDHJENKHTF-HXUWFJFHSA-N 337.467 3.609 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c(C)n1C 299782726 VNGIPDDERNPILQ-OAHLLOKOSA-N 337.423 3.803 0 50 EHAA O=C(C[C@H](c1ccccc1)c1ccco1)NCCCc1cccnc1 299772222 SLAWADUDVBXAAK-LJQANCHMSA-N 334.419 3.946 0 50 EHAA CC(C)C[C@@]1(CO)CCCN1C(=O)Nc1ccc(C(F)(F)F)nc1 276542246 DSPWHRRBFVURJU-OAHLLOKOSA-N 345.365 3.505 0 50 EHAA C=Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1 170595774 AODHWBBMBLOGAY-SFHVURJKSA-N 349.434 3.524 0 50 EHAA O=C([C@@H]1Cc2ccccc21)N1CCC[C@H]1C[C@@H](O)c1cccs1 408513119 XOQQVBMJNPMVKA-USXIJHARSA-N 327.449 3.503 0 50 EHAA O=C(c1cc(N2CCCC2)ccn1)N(Cc1cccs1)C1CC1 188563381 RGXKLYJKBYOBKX-UHFFFAOYSA-N 327.453 3.548 0 50 EHAA CO[C@H](C)c1cccc(NC(=O)NCCc2ncc(C)cc2C)c1 653965089 ZKLMLVINHBBSMD-OAHLLOKOSA-N 327.428 3.770 0 50 EHAA O[C@@H]1CN(Cc2ccc(C3CCCC3)s2)C[C@H]1Cc1ccncc1 1529133813 JKEWWOCDPSZTCC-IEBWSBKVSA-N 342.508 3.836 0 50 EHAA CN(C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)C1CCC1 12111911 ZKYVLKRLQINMJU-QGZVFWFLSA-N 348.918 3.853 0 50 EHAA CCNc1ncnc2sc(C(=O)N(C)C3CCCCC3)c(C)c12 12331424 ROFFDKHFRRYHND-UHFFFAOYSA-N 332.473 3.836 0 50 EHAA C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2Cl)C[C@H](C)O1 13326591 DJYDFVYGDXIXTO-QWRGUYRKSA-N 346.254 3.787 0 50 EHAA CSCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 14949965 ZQATZZLIDXEWQB-OAHLLOKOSA-N 347.459 3.504 0 50 EHAA FC(F)(F)c1ccccc1[C@H]1CN(c2ncnc3[nH]ccc23)CCO1 368474307 GYBRSKLSNCAYOC-CQSZACIVSA-N 348.328 3.555 0 50 EHAA COCCc1nc(CN2c3ccccc3CC[C@@H]2c2ccccc2)no1 934293837 HGKNVNNVBGNNEE-LJQANCHMSA-N 349.434 3.953 0 50 EHAA O=C(Cc1cncnc1)Nc1cccc(CCCc2ccccc2)c1 1875260059 RREDIXSAYQNCSO-UHFFFAOYSA-N 331.419 3.833 0 50 EHAA O=C(NC[C@H]1CC[C@@]2(C1)CC2(F)F)c1c[nH]nc1-c1ccccc1 1875298938 SNLUNGSBNIHVMR-YVEFUNNKSA-N 331.366 3.632 0 50 EHAA CCc1cc(NC(=O)N2CC[C@H](Nc3ccccn3)C2)ccc1F 1875271503 MDVCGIIFHZBNGO-HNNXBMFYSA-N 328.391 3.501 0 50 EHAA O=C(Nc1ccc(Br)nc1O)c1ccc(Cl)cc1F 1875262740 PZOMRHCQNPPUIP-UHFFFAOYSA-N 345.555 3.595 0 50 EHAA Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H]3CCC[C@H]4C[C@@H]43)c12 1875266634 YKCRYISGHNTEQE-SGMGOOAPSA-N 337.379 3.710 0 50 EHAA COc1cccc([C@H]2CCN(C(=O)[C@@H]3C[C@H]3[C@H]3CCCO3)C2(C)C)c1 1875392168 SLJQOVYGIAZGHF-NCXUSEDFSA-N 343.467 3.605 0 50 EHAA Cc1sc(Cl)nc1C(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 894379668 IJXFGXSXCRAPHZ-UFBFGSQYSA-N 338.782 3.910 0 50 EHAA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccccc2F)NC(=O)N1 68711 ODLFWQIOLROIGB-KRWDZBQOSA-N 346.402 3.577 0 50 EHAA O=C(Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)nc1)C1CCC1 2325781384 LSMVXXRSAUALCI-SJORKVTESA-N 335.407 3.562 0 50 EHAA CCC[C@@H](C)CC(=O)NCCN(C)C(=O)C1(C2CCCCC2)CC1 2325793472 WCOHTDLTOMMHGI-MRXNPFEDSA-N 336.520 3.748 0 50 EHAA CC[C@H](NC[C@H]1CCC(F)(F)CO1)c1cc(OC)cc(OC)c1 2325793732 GCCMMUKZGUFUQZ-CJNGLKHVSA-N 329.387 3.559 0 50 EHAA O=C(C1CC2(CCNCC2)C1)N1CC=C(c2cccc3ccccc23)C1 2325795796 ZSFXABQDBLNQOW-UHFFFAOYSA-N 346.474 3.845 0 50 EHAA Cc1ccncc1-c1ccc(OCc2ccc3c(c2)nnn3C)cc1 2325854403 CDLPARJPFQPJRU-UHFFFAOYSA-N 330.391 3.918 0 50 EHAA O=C(Nc1ccc2n[nH]cc2c1Cl)c1ncccc1C(F)(F)F 2325862050 HQMXXYFEZGZGTK-UHFFFAOYSA-N 340.692 3.882 0 50 EHAA COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 181809 BNDLYKLBMFWGBW-UHFFFAOYSA-N 332.208 3.803 0 50 EHAA COc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)c(OC)c1 199424 JQXOREXRUQDSBC-UHFFFAOYSA-N 347.440 3.855 0 50 EHAA O=C(Nc1ccc(OC(=O)N2CCCCC2)cc1)N1CCCCC1 355678 SJUZIFVMMAHJMK-UHFFFAOYSA-N 331.416 3.689 0 50 EHAA O=C(Cc1ccccc1)N[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 405858 FMJDEVUCXSCMSF-VXKWHMMOSA-N 331.415 3.820 0 50 EHAA CCC1(CC)C(=O)N(c2ccccc2)C(=N)N(c2ccccc2)C1=O 409997 UOVOTAJFAYMIHH-UHFFFAOYSA-N 335.407 3.808 0 50 EHAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(OC)c2)c1 471302 QQDOZHCUHQQSEW-UHFFFAOYSA-N 332.787 3.949 0 50 EHAA O=C(O)c1cnn(-c2ccc(Cl)cc2Cl)c1C(F)(F)F 20007909 WLPVRSPCOFJROU-UHFFFAOYSA-N 325.073 3.896 0 50 EHAA CN(Cc1cnc(-c2ccccn2)nc1)Cc1cccc2ncccc12 67868893 FAFNNQSPSWGKCV-UHFFFAOYSA-N 341.418 3.719 0 50 EHAA Cc1c(NCc2nc(Cc3ccccc3)no2)cnn1-c1ccccc1 347390770 MJQLJRGATWUCRA-UHFFFAOYSA-N 345.406 3.767 0 50 EHAA Cc1cccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c1C 21806935 YBHCUBDFGPPVBG-UHFFFAOYSA-N 331.725 3.961 0 50 EHAA Cc1nnsc1CN(C)Cc1c(-c2ccccc2)nc2ccccn12 67867984 KALIBJCJEJBREO-UHFFFAOYSA-N 349.463 3.793 0 50 EHAA O=C(O)c1ccccc1-c1c(-c2ccccc2)ncn1Cc1ncc[nH]1 65491295 XULLKOLSAHDDHV-UHFFFAOYSA-N 344.374 3.687 0 50 EHAA Cc1nn(C(F)F)c(C)c1CC(=O)N1CC2(CCC2)c2ccccc21 252480944 CGPMLSHQUHCRCP-UHFFFAOYSA-N 345.393 3.906 0 50 EHAA Cc1cccc(C2=NNC(=O)[C@H](c3ccc(Br)cc3)C2)c1 1397832 ATPYKYOYMJVFEE-HNNXBMFYSA-N 343.224 3.765 0 50 EHAA Cc1nc([C@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)cs1 72425047 FRYSXUWMPXOENA-LBPRGKRZSA-N 332.469 3.646 0 50 EHAA Cc1ccc(CN(C)C(=O)[C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)s1 328614570 AKFITXRIVPJKKL-DLBZAZTESA-N 347.484 3.570 0 50 EHAA C[C@H]1C[C@H]1c1ccc(CNC[C@@H]2CCN(C)[C@H]2c2cccnc2)o1 328626246 DXRPXXYFPBCPHU-LLYILUEJSA-N 325.456 3.581 0 50 EHAA Cc1c(C(=O)N2CCO[C@@H](c3ccsc3)C2)cnn1C1CCCC1 124053850 DTXUFFCQTVKNSW-QGZVFWFLSA-N 345.468 3.582 0 50 EHAA CN1C(=O)[C@H](C(=O)Nc2cccc(Cl)c2Cl)c2ccccc21 44123681 DRRJSQZJVYCXLC-ZDUSSCGKSA-N 335.190 3.692 0 50 EHAA Cc1cc(NCc2c[nH]c3nccnc23)cnc1N1CCCC[C@H]1C 290986179 ZEDSPXLGOCZIIL-CQSZACIVSA-N 336.443 3.652 0 50 EHAA O=C(C[C@H]1CCc2ccccc21)NCc1cnn(-c2ccc(F)cc2)c1 91892876 QYJJCJHDLWBORC-QGZVFWFLSA-N 349.409 3.748 0 50 EHAA CCOCC1(CNC(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)CCC1 91504529 YTGSNGLHNOVNAL-UHFFFAOYSA-N 342.483 3.959 0 50 EHAA Cc1cc([C@H]2CCCCN2Cc2cnc(N3CCCC3)s2)no1 97655554 AFJISPRZGCRBKV-MRXNPFEDSA-N 332.473 3.767 0 50 EHAA COc1cccc(CN(C)C(=O)c2cnc(Nc3ccccc3)nc2)c1 97756303 CEDHMFBOYJLQFE-UHFFFAOYSA-N 348.406 3.501 0 50 EHAA COc1ccccc1-c1n[nH]c2c1CN(C[C@H]1C[C@@H]3C=C[C@H]1C3)CC2 43631722 JSYHVEIWFWCRKC-OWCLPIDISA-N 335.451 3.656 0 50 EHAA Cc1cnn(Cc2cccc(Cl)c2)c1NC(=O)C[C@@H]1CC1(F)F 1940195368 OSSFSBMTGCWRQL-GFCCVEGCSA-N 339.773 3.877 0 50 EHAA O=C(NCc1nncn1C1CCCCC1)c1ccc(Cl)c(F)c1 828152481 ZBCDPGRPMFAURD-UHFFFAOYSA-N 336.798 3.506 0 50 EHAA COc1ccc(-n2nc(C3CC3)nc2CCc2scnc2C)cc1 824698936 QLLHAMJZEYBIHN-UHFFFAOYSA-N 340.452 3.703 0 50 EHAA O=C(CCc1ccc2c(c1)OCO2)Nc1ccc2scnc2c1 828061987 PLBQNHAJQJSGJV-UHFFFAOYSA-N 326.377 3.596 0 50 EHAA CCc1cc(NC(=O)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)no1 1333388395 PMAKSHRHCHALEG-NSHDSACASA-N 349.818 3.926 0 50 EHAA CC(C)n1ccc(C(=O)Nc2ccccc2CN2CCCCC2)n1 952979939 SKTFKJUYDYTIFN-UHFFFAOYSA-N 326.444 3.702 0 50 EHAA Cc1cnc(NC(=O)Cc2csc(-c3ccccc3F)n2)s1 951723506 ZFLKQTSMQPUODT-UHFFFAOYSA-N 333.413 3.895 0 50 EHAA CN(C)[C@H]1CCCN(C(=O)Nc2ccccc2OC2CCCC2)CC1 277223221 XXVMZQWXIBNFAZ-INIZCTEOSA-N 345.487 3.956 0 50 EHAA COc1cc([C@H](C)NC2CCC(O)(c3cccnc3)CC2)ccc1F 186334670 ITWOGUZXBYLIGU-JTOQLSFASA-N 344.430 3.710 0 50 EHAA CCS(=O)(=O)Nc1ccc(N[C@H]2CCc3ccccc32)cc1OC 170592563 RAGVFXKMDZPPNE-INIZCTEOSA-N 346.452 3.556 0 50 EHAA Cc1c(NC(=O)CCC2CCCC2)nnn1Cc1ccccc1F 170614734 ZMWOIUDCMUVSNC-UHFFFAOYSA-N 330.407 3.683 0 50 EHAA Cc1nc(C[C@@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)no1 171241722 BPYOWFUWTQQQBY-ZDUSSCGKSA-N 341.436 3.688 0 50 EHAA CN(Cc1cccnc1)C[C@@H]1CCN(c2nc3ccccc3s2)C1 190446922 WZUJKZIDKXIBIY-INIZCTEOSA-N 338.480 3.650 0 50 EHAA COc1cc(F)c(CN(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c(F)c1 1704341264 SDMYPPHWROEZGU-NMWPEEMBSA-N 338.442 3.524 0 50 EHAA CCNC(=O)c1cccc(-c2cc(OC(F)(F)F)ccc2O)c1 1772705464 HVCMQYFJCMREAF-UHFFFAOYSA-N 325.286 3.708 0 50 EHAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC2CCOCC2)C1 15069397 QFFPQOZLKQVAIA-GOSISDBHSA-N 325.456 3.654 0 50 EHAA Cc1nonc1CN(C)Cc1nc(-c2ccc(Cl)cc2)oc1C 15073891 NEMGVSUPVPVLOJ-UHFFFAOYSA-N 332.791 3.627 0 50 EHAA Cc1ccc(C)c(OC[C@H](O)Cn2c(C3CC3)nc3ccccc32)c1 16903749 JHMHATQCCXPKAJ-QGZVFWFLSA-N 336.435 3.970 0 50 EHAA OCC[C@H]1CN(C/C=C/c2ccc(F)cc2)CCN1C1CCCCC1 19606436 NDZOKVGGAJTEHX-FNEOHHHZSA-N 346.490 3.540 0 50 EHAA Cc1ccc(N(C)C(=O)c2ccc(NC(=O)C(C)(C)C)nc2)c(F)c1 841325574 JVJBARJEGSCAAF-UHFFFAOYSA-N 343.402 3.790 0 50 EHAA O=C(N[C@@H](c1ccccc1)C(F)F)N[C@@H]1CCCc2cccnc21 931544276 KCDNOMHAPDWPIX-ZBFHGGJFSA-N 331.366 3.765 0 50 EHAA CC1(C)C[C@H](NC(=O)c2cnc3c(c2)C(=O)CCC3)c2ccccc21 1875306565 KKKJYUMYMMEGMJ-SFHVURJKSA-N 334.419 3.753 0 50 EHAA COc1cccc([C@H](CNC(=O)C[C@]23CCC[C@@H]2C3)N2CCCC2)c1 1875308873 DRGINEVOVNSWGX-SLYNCCJLSA-N 342.483 3.529 0 50 EHAA Cc1nc2ccc(Br)cc2cc1OC[C@@H]1C[N@@]1CC1CC1 1875378569 GPGCEWYSJXBPRQ-MGPUTAFESA-N 347.256 3.779 0 50 EHAA O=C(Nc1ccc(OC[C@H]2C[N@@]2CC2CC2)cc1)C1CCCCC1 1875384789 ILRQFEQVLJAKPU-XMSQKQJNSA-N 328.456 3.678 0 50 EHAA CO[C@]1(c2nnc(-c3ccc(C(F)(F)F)cc3Cl)o2)CCOC1 886086040 PNYKZTVQOVQJTL-CYBMUJFWSA-N 348.708 3.671 0 50 EHAA O=C(N[C@H]1C[C@H](c2ccc(F)c(Cl)c2)C1)c1ccc2cncn2c1 2325724787 MSNXKMIFBJPUKL-HDJSIYSDSA-N 343.789 3.803 0 50 EHAA NC1CC2(C1)C[C@@H]2C(=O)N1CCCC[C@H]1CCCc1ccccc1 2325792283 SJYZAKIJJQTRNW-KYBDOYODSA-N 326.484 3.518 0 50 EHAA COC[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)CC2CCOCC2)C1 2325805703 IIDQKMGFIAAYIF-UXHICEINSA-N 345.483 3.505 0 50 EHAA CCOC(=O)c1c(C)n(CCOc2ccccc2)c2ccc(O)cc12 49203 GVQYVWYDPUKWOO-UHFFFAOYSA-N 339.391 3.911 0 50 EHAA COc1cc(C(=O)Oc2ccc(Cl)c(C)c2)cc(OC)c1OC 149111 DJIHUGMTSYNIGZ-UHFFFAOYSA-N 336.771 3.893 0 50 EHAA Nc1nc(Nc2ccc(Cl)cc2)nc(-c2cc(Cl)ccc2O)n1 347213 WLDARDNBOLWMHI-UHFFFAOYSA-N 348.193 3.877 0 50 EHAA CCOc1cc(C(=O)Nc2ncccc2C)cc(OCC)c1OCC 433691 YKBPYDPHKTUPKM-UHFFFAOYSA-N 344.411 3.838 0 50 EHAA COC(=O)c1ccc(COc2cc(C)cc3oc(=O)cc(C)c23)cc1 608874 RJTWGKBFUVTPMP-UHFFFAOYSA-N 338.359 3.775 0 50 EHAA biogenic COc1ccc(NC(=O)N[C@@H]2CCCc3ccccc32)cc1OC 612259 SXUBHYJLMWQOBZ-MRXNPFEDSA-N 326.396 3.903 0 50 EHAA CC(C)=CCCc1nc(-c2ccccn2)nn1C1CCN(C)CC1 2356140222 ZHOVUWCIEGMZPC-UHFFFAOYSA-N 325.460 3.506 0 50 EHAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(C(F)(F)F)c1 2585858 UPKLBXIBSSZUID-LLVKDONJSA-N 333.306 3.746 0 50 EHAA Cc1cc(C)cc(OS(=O)(=O)c2ccc(Br)cc2)c1 2996905 GSELEUUNVIWOOF-UHFFFAOYSA-N 341.226 3.834 0 50 EHAA O=C(N1CCN(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2 3904482 MTFMBDHEYHTHLH-UHFFFAOYSA-N 342.458 3.691 0 50 EHAA CCc1ccc(-n2nc3ccc(NC(=O)c4cccnc4)cc3n2)cc1 4184250 DLUUNCVURLMNNV-UHFFFAOYSA-N 343.390 3.630 0 50 EHAA Cc1nc2ccc(Br)cc2c(O)c1CN1CCCCC1 8579154 VQHMUUVWKHRDLT-UHFFFAOYSA-N 335.245 3.997 0 50 EHAA CO[C@H](c1ccc(F)cc1)c1noc([C@H](C)N2[C@@H](C)CC[C@@H]2C)n1 225504575 UJFADMNCVWDAQU-WFGGJUAMSA-N 333.407 3.878 0 50 EHAA COC(=O)C[C@H](C)CC(=O)Nc1ncc(-c2cccc(C)c2)s1 345431602 UFLHKBKWYVZGIA-GFCCVEGCSA-N 332.425 3.646 0 50 EHAA CC(C)c1cc([C@H]2CCCN2C(=O)NCCc2ccccc2)no1 64667155 WFYIMVPZXLOXDJ-QGZVFWFLSA-N 327.428 3.887 0 50 EHAA Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1c[nH]nc1C(C)C 67842993 GTPILLMAWXSAOO-UHFFFAOYSA-N 325.368 3.509 0 50 EHAA O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCC[C@H](c2ccn[nH]2)C1 170673256 NBQJMOIEORDNGH-AWEZNQCLSA-N 348.450 3.790 0 50 EHAA COc1cccc([C@@H]2CCN(Cc3ccc4ccccc4n3)C[C@H]2O)c1 65370449 KLRCAABHFWWRMN-RBBKRZOGSA-N 348.446 3.594 0 50 EHAA Cn1cc([C@@H]2C[C@H]2C(=O)N(c2cccc(F)c2)C2CCCC2)cn1 252499574 SBJLSBMYIIIXBP-ZWKOTPCHSA-N 327.403 3.639 0 50 EHAA Cc1ccc(C)c(-n2ncc([C@H](C)NC[C@]3(C)CCCNC3)c2C)c1 423321602 GOUVTWMBAVXHTR-LAUBAEHRSA-N 340.515 3.838 0 50 EHAA CSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 281472381 UFLOIQWXEIFVTI-CXAGYDPISA-N 344.484 3.750 0 50 EHAA Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)cc1 357588893 BZVUIIXLFMFVAE-CABCVRRESA-N 338.407 3.641 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1 155026117 XTXWZHYICLKKDR-HZMBPMFUSA-N 347.440 3.916 0 50 EHAA COc1ccc2c(c1)cc(C(=O)N[C@@H](c1cccc(C)n1)C1CC1)n2C 216135664 WIVCRMITTCPNMF-HXUWFJFHSA-N 349.434 3.771 0 50 EHAA O=C(c1n[nH]c2c1CCCC2)N1CCCC[C@@H]1c1ccc(F)cc1 77523576 MOSFBTXEXXZKRT-QGZVFWFLSA-N 327.403 3.795 0 50 EHAA Cc1cc(NC[C@H]2CCN(Cc3ccccc3)C2)n2nc(C)c(C)c2n1 72477826 MZMIBHFRQJVZEV-LJQANCHMSA-N 349.482 3.589 0 50 EHAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3cnn(C(C)C)c3)C2)cc1 77379434 KXBVTWCFVDGSBP-KRWDZBQOSA-N 341.455 3.704 0 50 EHAA Cc1ccc(NC(=O)c2ccc3ncccc3c2)c(Br)n1 128017040 JVTNQMSQNGDMBK-UHFFFAOYSA-N 342.196 3.953 0 50 EHAA Cc1nc(=O)c(Cl)c(-c2ccc([C@@H](C)N3CCCCC3)cc2)[nH]1 215386465 FSFJLSHQVHJCPO-GFCCVEGCSA-N 331.847 3.946 0 50 EHAA CC(C)[C@@H]1C[C@H](CC(=O)Nc2c[nH]nc2-c2ccccc2F)CCO1 283935554 YYTFUZHTGGCTLL-DYVFJYSZSA-N 345.418 3.996 0 50 EHAA Cc1ccc2cc(C(=O)Nc3nc4c(s3)C(=O)CCC4)ccc2n1 131915222 SVDGLHBUJXVQKA-UHFFFAOYSA-N 337.404 3.771 0 50 EHAA COc1ccccc1CN(C(=O)[C@H](C)n1ccnc1C)C1CCCC1 426531028 VFMNPKYNSADOEC-HNNXBMFYSA-N 341.455 3.733 0 50 EHAA CCC[C@H](NCc1ccc(Br)o1)c1nnc2ccccn12 225636211 YDCCGZXCTJTRCB-LBPRGKRZSA-N 349.232 3.716 0 50 EHAA CN(Cc1ccsc1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 47581123 DODVGVXOKZYIAH-QGZVFWFLSA-N 346.452 3.970 0 50 EHAA C[C@H]1Cc2ccccc2N1C(=O)C1CCN(Cc2ccccc2)CC1 44912963 KBAUWOOJGBSORL-KRWDZBQOSA-N 334.463 3.876 0 50 EHAA O=C(c1cc2c(s1)CCCC2)N1CCC(CCn2cccn2)CC1 91817868 ZCLTWMUEAXWLAE-UHFFFAOYSA-N 343.496 3.766 0 50 EHAA O=C(O)c1ccc([C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)cc1 95377049 RXSRTJKEBBWJOA-SFHVURJKSA-N 348.402 3.886 0 50 EHAA Cc1cccnc1C[C@H](C)N(C)CCC(=O)Nc1cccc(C)c1C 243885891 ADHFCFHTHMPTJK-KRWDZBQOSA-N 339.483 3.898 0 50 EHAA C[C@@H]1C[C@]2(C)Oc3ccccc3C[C@@H]2[C@H](C)[C@H]1CNCCCN(C)C 245267403 LNUAAHAFERZTED-DSMCQNTQSA-N 344.543 3.830 0 50 EHAA Cc1cc(N2CCCN(C(=O)N[C@H](C)C3CCCCC3)CC2)ccn1 534648172 BGRLBFSLYMDGBH-QGZVFWFLSA-N 344.503 3.581 0 50 EHAA CCc1nccn1CCC(=O)N[C@@H](C)CC12CC3CC(CC(C3)C1)C2 299766744 FDVNBXKGLNXJOW-SIHNGCNOSA-N 343.515 3.947 0 50 EHAA Cn1ccnc1-c1ccccc1C(=O)Nc1cccc(-n2cccn2)c1 828184275 VOJLBCKOKSHDRR-UHFFFAOYSA-N 343.390 3.525 0 50 EHAA O=C(C1CCCCC1)N1CCC[C@H]1c1n[nH]c(Cc2cccs2)n1 827943169 VIIFMNRXGVUUMP-HNNXBMFYSA-N 344.484 3.701 0 50 EHAA c1ccc2c(c1)ccn2CCCNCc1cnc(N2CCCC2)s1 952959811 QAVQENKKXRYMNU-UHFFFAOYSA-N 340.496 3.878 0 50 EHAA CC(C)n1c([C@@H](C)NC(=O)C2SCCCS2)nc2ccccc21 408521644 BCNGATGCGHAKOZ-GFCCVEGCSA-N 349.525 3.991 0 50 EHAA CC1(C)[C@@H](OC(=O)CCn2ccc3ccccc32)[C@@H]2CCCO[C@H]21 170639324 GLNCNVAUHONRQO-LZQZEXGQSA-N 327.424 3.778 0 50 EHAA CCCO[C@@H]1CCCN(C(=O)Nc2cc(F)c(OC)cc2C)CC1 186778870 QMLYZQSQRKPNEW-CQSZACIVSA-N 338.423 3.956 0 50 EHAA Cn1ccc2ccc(NC(=O)Nc3cnn(CC(F)(F)F)c3)cc21 189990685 JCXXCQRWYKGGOU-UHFFFAOYSA-N 337.305 3.581 0 50 EHAA CC(C)[C@H]1CN(C(=O)c2cc(C(F)F)[nH]n2)C[C@@H](c2ccccc2)O1 1529093976 DATMQWLDIRAOSS-CVEARBPZSA-N 349.381 3.586 0 50 EHAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CCCN2CCC[C@@H]2C1 142027797 ZSMURYLLFUSXGP-CQSZACIVSA-N 344.842 3.910 0 50 EHAA COc1ccc(Cc2ccnn2C)cc1OCc1ccccc1F 1772815179 YDRIUZJZJXGKQP-UHFFFAOYSA-N 326.371 3.738 0 50 EHAA COc1ccc(Cl)cc1NC(=S)Nc1ccc(C(=O)O)cc1 5041694 DQPFLIFDTYCMFK-UHFFFAOYSA-N 336.800 3.856 0 50 EHAA Cc1ncc2ccc(C(=O)N[C@@H](C)c3cccc(OC(F)F)c3)cn12 1875253483 GNFNMOALUPNDMH-NSHDSACASA-N 345.349 3.735 0 50 EHAA O=C(N[C@H]1CCC2(CC2)C[C@H]1C(=O)O)c1cccc2cc(F)ccc12 1875345034 TVGJZCNPICPXBM-SJORKVTESA-N 341.382 3.742 0 50 EHAA Cn1cc(C(=O)N[C@@H](C2CCC2)C(F)(F)F)c(C2CCCCC2)n1 1875396896 WRFBIJLEFDDKTG-HNNXBMFYSA-N 343.393 3.929 0 50 EHAA O=C(Nc1ccc(Nc2ccccc2)cn1)c1cc2n(n1)CC1(CC1)C2 2325784774 IRAYSMSJVVNNSE-UHFFFAOYSA-N 345.406 3.610 0 50 EHAA COc1ccc(-c2cccc(C(=O)OCc3cncc(C)c3)n2)cc1 2325855405 XVMYYXINSQKKFM-UHFFFAOYSA-N 334.375 3.818 0 50 EHAA c1cc(C[C@H]2CCCCN2)cc(-c2ccc(Cn3cncn3)cc2)c1 2325859376 XIPOCDHLKVBJIA-OAQYLSRUSA-N 332.451 3.678 0 50 EHAA Cc1ccnc(NC(=O)c2ccccc2NC(=O)c2ccccc2)c1 144054 QADVLRDBRTUSHY-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA C[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccco1 433600 PVLNYEQKUBXVKL-HNNXBMFYSA-N 348.402 3.893 0 50 EHAA COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 470672 GDCBRWATCXVCAB-CYBMUJFWSA-N 329.421 3.901 0 50 EHAA COCc1cc(C)nc2sc(C(=O)Nc3ccccc3F)c(N)c12 516181 UGPJHGJGPIZKFA-UHFFFAOYSA-N 345.399 3.725 0 50 EHAA Cc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 529527 XQHQIJLRSALOQU-HZPDHXFCSA-N 339.830 3.968 0 50 EHAA CCn1nc(C)c(NC(=S)Nc2cc(Cl)ccc2OC)c1C 609439 LQIOLXNHXPOXGU-UHFFFAOYSA-N 338.864 3.991 0 50 EHAA COc1ccc(CCC(=O)Nc2ccn(Cc3ccccc3)n2)cc1 1429211 CMDLZBLTTQPYJX-UHFFFAOYSA-N 335.407 3.511 0 50 EHAA CCOc1cccc(OCCOCCOc2ccccc2C(C)=O)c1 2984272 XNXXFTZZBRPQKX-UHFFFAOYSA-N 344.407 3.762 0 50 EHAA Cc1ccccc1C(=O)N1N=C2CCCCC[C@H]2[C@@]1(O)C(F)(F)F 4866052 FZMCVHAGTHYPBR-CZUORRHYSA-N 340.345 3.638 0 50 EHAA CCOc1cccc2cc(C(=O)Nc3ccccc3F)c(=O)oc12 6703366 XBXNYBAWFJEUAG-UHFFFAOYSA-N 327.311 3.583 0 50 EHAA CC[C@@H](C)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1 6742351 KJSPPXHQSTZLJY-MRXNPFEDSA-N 338.455 3.949 0 50 EHAA Cc1cc(C)c2oc(C(=O)Nc3nnc(C(C)C)s3)cc(=O)c2c1 8994137 KPOIBLDJJLFRPV-UHFFFAOYSA-N 343.408 3.637 0 50 EHAA COc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)c(OC)c1 11279108 DHOUOJHTRPTETE-UHFFFAOYSA-N 344.440 3.918 0 50 EHAA Cc1c(C(=O)N2CCCC2)sc2ncnc(N3CCCCCC3)c12 14952278 IFJPVUVQMZBXOK-UHFFFAOYSA-N 344.484 3.616 0 50 EHAA C[C@@H](Oc1ccc(F)cc1)c1nn2c(=O)c3ccccc3nc2s1 17071371 TVPHZHCGWKEBPA-SNVBAGLBSA-N 341.367 3.583 0 50 EHAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](C(=O)O)c1ccccc12 35571216 CLQYVKLGGAFNEB-CQSZACIVSA-N 331.412 3.527 0 50 EHAA COc1ccccc1CCC(=O)Nc1ccccc1CN1CCCC1 41970491 LERFHBMXCVRVHB-UHFFFAOYSA-N 338.451 3.862 0 50 EHAA COc1cccc([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)c1OC 49550590 IKMXTLJZPJPTNA-LBPRGKRZSA-N 329.400 3.779 0 50 EHAA CCCN(CCC)Cc1ccc(C(=O)N(C)Cc2cc(C)[nH]n2)cc1 55165877 NQJZLRZKEOPJOC-UHFFFAOYSA-N 342.487 3.612 0 50 EHAA CCOC(=O)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 67878354 SJWUNMVSNCPAKK-UHFFFAOYSA-N 340.358 3.524 0 50 EHAA COc1cc(C)c(-c2nc(CN(C)Cc3ccno3)c(C)o2)cc1C 71730330 MLLIDJZWIGAMRD-UHFFFAOYSA-N 341.411 3.895 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)N1CC(Oc2ccccc2F)C1 91350998 GQLNXPNFCDGBQS-HNNXBMFYSA-N 325.383 3.535 0 50 EHAA CC(C)(CN1CCCC1)CN1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95356809 UDAKTDFINCIACV-IBGZPJMESA-N 344.499 3.686 0 50 EHAA Cc1csc([C@@H](C)N(C)C(=O)c2cccc(Cn3cccn3)c2)n1 96131930 IFTHQRXRIPGCDJ-CQSZACIVSA-N 340.452 3.530 0 50 EHAA O=S(=O)(c1cccc(Cl)c1)c1cnc2c(F)cccc2c1O 96511490 WDZHOTRHJLPROK-UHFFFAOYSA-N 337.759 3.566 0 50 EHAA O=C(Nc1nc2ccccc2s1)Nc1cccc2c1OCCO2 145779024 DBGKWFVWUQZGRD-UHFFFAOYSA-N 327.365 3.712 0 50 EHAA O=C1CCCc2cc(NC(=O)c3ncccc3C(F)(F)F)ccc2N1 180077512 RRXZYLQRSKGWAL-UHFFFAOYSA-N 349.312 3.628 0 50 EHAA Cc1ccc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)c(Cl)c1 191245976 LXYAKGLXYQRYKE-UHFFFAOYSA-N 331.847 3.704 0 50 EHAA O=C(NCC1(c2ccccc2)CC1)N1CCC[C@@H](C(F)(F)F)C1 193021168 QHWGTRFMCGVVLV-CQSZACIVSA-N 326.362 3.702 0 50 EHAA Cc1[nH]ncc1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 193857072 RNUORXFZSARGPM-UHFFFAOYSA-N 342.786 3.598 0 50 EHAA Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)NC1CCOCC1 193901902 GDOYPDQSNNKWRJ-CYBMUJFWSA-N 345.468 3.658 0 50 EHAA CC[C@H](NCc1ccnc(N)c1)c1cc(F)cc(Br)c1 225616991 SUJWYMZVMNGFAB-AWEZNQCLSA-N 338.224 3.806 0 50 EHAA O=C(N[C@H](c1ccccc1)c1ccco1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 230156923 AZBUAYBEJFFDLT-MJQMVNBJSA-N 340.423 3.626 0 50 EHAA CC[C@H](C)C(=O)Nc1cccc2c1C[C@H](C)N(C(=O)[C@H](C)CC)C2 253427893 BDLGQXOLGLOUCH-ZNMIVQPWSA-N 330.472 3.991 0 50 EHAA C[C@@]12CO[C@@H]3CC[C@H]4[C@H]5[C@H]([C@H]1[C@@H]43)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]3OC[C@]5(C)[C@H]1[C@@H]32 253588331 XMMLDTBZMYUXIT-RJYFWHATSA-N 326.480 3.601 0 50 EHAA CC(C)c1noc([C@H](NC(=O)CC2=CCCCC2)C2CCOCC2)n1 275239004 FWQMLHNQNPXFQT-QGZVFWFLSA-N 347.459 3.667 0 50 EHAA Cc1ccc(-n2cc(NCc3cnc([C@@H](C)O)s3)cn2)c(C)c1 289623116 KAJQBOCHJQIYAN-CYBMUJFWSA-N 328.441 3.611 0 50 EHAA CC(C)[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1nccn1C 299791058 BYVIQZCRKMIKTF-OAHLLOKOSA-N 340.254 3.783 0 50 EHAA CC(=O)N(C)c1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cc1 328588388 DNYKJIIEIWXWDD-QYFOZDBKSA-N 348.446 3.987 0 50 EHAA COc1ccc2[nH]cc(CCN=c3ccc4ccccc4n3C)c2c1 334157886 BRFIKKPSFCVDQW-UHFFFAOYSA-N 331.419 3.812 0 50 EHAA Cc1cc(-c2nc(CCn3cnc4ccccc43)no2)c2n[nH]cc2c1 355584565 HWKORRARNVWUHV-UHFFFAOYSA-N 344.378 3.514 0 50 EHAA CN(C)C(=O)Cc1ccc(Nc2nccc(Oc3ccccc3)n2)cc1 433054442 SYNQXQKCWDEQLW-UHFFFAOYSA-N 348.406 3.643 0 50 EHAA Cc1ccc(S(=O)(=O)[C@H](C)c2nnc(-c3cccs3)o2)cc1C 492221949 CFDQRZBSOFHVAN-GFCCVEGCSA-N 348.449 3.950 0 50 EHAA CCn1nccc1[C@@H]1OCCC[C@H]1CN[C@H](C)c1ccncc1Cl 886079898 BOOCLNLFANRURY-QWQRMKEZSA-N 348.878 3.770 0 50 EHAA CCN(CC)CCOc1nc(SC)nc2sc(C)c(C)c12 1857795658 GQLHMEOZMGPXLE-UHFFFAOYSA-N 325.503 3.751 0 50 EHAA C[C@@H]1C[C@H](CC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)O1 1875292479 JOYDZOQJTUCIRP-YRGRVCCFSA-N 329.362 3.867 0 50 EHAA C[C@@]1(NC(=O)c2cn(Cc3ccccc3)c3ccccc23)CCC[C@H]1O 1875338757 KSBUNHVFYRHWAW-IFMALSPDSA-N 348.446 3.723 0 50 EHAA C[C@H](NC(=O)c1ccc2c(=O)ccoc2c1)c1ccc2c(c1)CCC2 2325701127 CMBAEJGECZAKNO-ZDUSSCGKSA-N 333.387 3.773 0 50 EHAA O=C(COc1ccccc1Cl)N1CCCC[C@H]1C1CCOCC1 2325810532 PWOBOQSALKAAHE-INIZCTEOSA-N 337.847 3.527 0 50 EHAA CCn1nc(C)cc1NS(=O)(=O)c1cc(C)c(Cl)cc1Cl 2325853926 IFJBMHSEHUCHDQ-UHFFFAOYSA-N 348.255 3.627 0 50 EHAA Cc1ncc2c(n1)CC[C@@H](C(=O)OCCC1=CC[C@H]3C[C@@H]1C3(C)C)C2 2325865150 PFQSIFCSRQTGOF-NJAFHUGGSA-N 340.467 3.816 0 50 EHAA O=S(=O)(NCCc1ccccc1)c1c(Cl)cccc1Cl 74531 AZYHINWWESEHRY-UHFFFAOYSA-N 330.236 3.514 0 50 EHAA Cc1ccc(C(C)C)c(OC[C@H](O)CN2CCc3ccccc3C2)c1 350499 GBBGYHUYRLONBJ-HXUWFJFHSA-N 339.479 3.916 0 50 EHAA CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4 895645 CIUHLXZTZWTVFL-UHFFFAOYSA-N 333.343 3.914 0 50 EHAA biogenic,in-vitro Cc1ccnc(NC(=O)COc2cc(C)c(Br)cc2C)c1 1065706 FYOHVJFZYKXOAJ-UHFFFAOYSA-N 349.228 3.787 0 50 EHAA CCCO[C@]1(C(F)(F)F)NC(=O)N(c2ccc(C(C)C)cc2)C1=O 3105646 MROYFALVPYGCFL-OAHLLOKOSA-N 344.333 3.551 0 50 EHAA CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@@H](c2ccccc2Cl)NC(=O)N1 4580197 MXVHDCQSVCRVKH-DRZCJDIDSA-N 348.830 3.700 0 50 EHAA Brc1cccc(-c2noc(-c3ccc4c(c3)OCO4)n2)c1 4857238 GYGOKZDTNKUHLH-UHFFFAOYSA-N 345.152 3.895 0 50 EHAA CN(C)CCOC(=O)[C@H](C[C@@H]1CCCO1)c1cccc2ccccc12 5674778 WINDMCCYDFPNPV-FXAWDEMLSA-N 341.451 3.597 0 50 EHAA CCCSc1ncc(Cl)c(C(=O)Oc2ccc(F)cc2)n1 8867581 WVTINIPZQOHNTN-UHFFFAOYSA-N 326.780 3.990 0 50 EHAA Cc1ccc(NC(=O)Nc2nnc(-c3ccncc3)s2)cc1C 8913961 RZRGPMAJCOAGSH-UHFFFAOYSA-N 325.397 3.861 0 50 EHAA Cc1cnc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3F)C2)cn1 12301402 NDZMYLVJEGFFBV-AWEZNQCLSA-N 345.393 3.548 0 50 EHAA Cc1ccc(-n2cc(CN(C)CCO)c(-c3cccc(C)c3)n2)cc1 12593966 VOFBGKDVBQMWKN-UHFFFAOYSA-N 335.451 3.580 0 50 EHAA Cc1ccc(NC(=O)N2CCN(CCc3ccccc3)CC2)cc1F 13320335 ZNVNVDMBGSHDGZ-UHFFFAOYSA-N 341.430 3.526 0 50 EHAA O=C(C1CCCC1)N1CCN(Cc2c(Cl)cccc2Cl)CC1 16580210 AHNXSUKVVCELPJ-UHFFFAOYSA-N 341.282 3.828 0 50 EHAA CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O[C@@H](C)CC)cc1 17652368 PZMKNRGLZYFPOT-QGTPRVQTSA-N 345.439 3.948 0 50 EHAA Cc1ccc(C)c(-n2cc(CN3CCOCC3)c(-c3ccccc3)n2)c1 20167012 HDGMVLKIVCMIIV-UHFFFAOYSA-N 347.462 3.988 0 50 EHAA Cc1ccccc1CN1CCN(C(=O)Nc2ccccc2Cl)CC1 20418557 DNJQPAAAFPQLLU-UHFFFAOYSA-N 343.858 3.998 0 50 EHAA NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1 21943479 RZCNASHHHSKTGP-UHFFFAOYSA-N 344.440 3.504 0 50 EHAA in-vitro CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 36034653 JBVNBBXAMBZTMQ-LDIYZUBKSA-N 328.452 3.614 0 50 EHAA C[C@@H](CNC(=O)c1cc(COc2ccccc2)[nH]n1)c1ccccc1 67540693 GNSMFNPHNIFGOE-HNNXBMFYSA-N 335.407 3.522 0 50 EHAA Cc1c(CN2CC[C@H](CNC(=O)c3ccco3)C2)oc2ccccc12 67587698 PHQPTRWOXJGJGZ-OAHLLOKOSA-N 338.407 3.586 0 50 EHAA COc1ccccc1C(=O)Nc1ccc2nc(-c3cccnc3)[nH]c2c1 71281802 PPMRPSPBVVABKJ-UHFFFAOYSA-N 344.374 3.886 0 50 EHAA Cc1c[nH]c(-c2c(-c3ccccc3)ncn2[C@H](CO)c2ccccc2)n1 71777040 GGOLKQASSJFEOK-GOSISDBHSA-N 344.418 3.830 0 50 EHAA Cc1cc(C)c(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)cn1 77375503 LXSDINBQQSTJOH-INIZCTEOSA-N 342.414 3.769 0 50 EHAA O=C1CCC2(CCN(CC3CCC3)CC2)CN1Cc1ccccc1 91474633 RSSKDHMXVPGVKG-UHFFFAOYSA-N 326.484 3.691 0 50 EHAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(CN2CCCC2)cc1 95370856 BIKFWCSLXPOSKM-FQEVSTJZSA-N 344.499 3.704 0 50 EHAA Cc1cc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)ccn1 119543589 SZTXUPVTSPJRGG-AEFFLSMTSA-N 325.412 3.679 0 50 EHAA O=C(Nc1cccc2c1C(=O)NC2)c1ccc(OC2CCCC2)cc1 122839693 DZTKBWCBJRGBOA-UHFFFAOYSA-N 336.391 3.504 0 50 EHAA O=C(Nc1nnc(C(F)F)s1)N[C@@H]1CCCc2sccc21 122935592 LFFQSRZOJTZBGO-SSDOTTSWSA-N 330.385 3.736 0 50 EHAA COc1cc(C(=O)N(C)CCOc2cccc(Cl)c2)ccc1F 125025929 VEKCVEGZUQIXAU-UHFFFAOYSA-N 337.778 3.639 0 50 EHAA C[C@H](NC(=O)[C@H]1CCC(=O)C[C@@H]1C)c1ccc(-c2cccnc2)cc1 128396655 NQKRZBDVZFKAEX-AVYPCKFXSA-N 336.435 3.931 0 50 EHAA CC1(C)CCC(C(=O)NCCc2nnc(-c3ccccc3)o2)CC1 133243014 MSETYNXDANHMDK-UHFFFAOYSA-N 327.428 3.612 0 50 EHAA CCc1nc(C)ccc1OCC(=O)c1[nH]c(C)c(C(C)=O)c1CC 170608225 OFQLZWASIBIQDE-UHFFFAOYSA-N 328.412 3.616 0 50 EHAA Cc1ccccc1SCC(=O)Nc1ccnc(-c2cncs2)n1 170617656 PVARSHOVLFWHMI-UHFFFAOYSA-N 342.449 3.639 0 50 EHAA Cc1nnc(CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)o1 181591319 LVZSIEOHQLMSQY-QGZVFWFLSA-N 329.350 3.730 0 50 EHAA COc1ccc(O)cc1C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 187634690 PFKJPJQPBISXHI-LBPRGKRZSA-N 325.364 3.980 0 50 EHAA c1nc(CN(Cc2cocn2)Cc2ccc([C@H]3CCCO3)s2)co1 215449324 ATMOBSCYFZQONQ-MRXNPFEDSA-N 345.424 3.778 0 50 EHAA Cc1nc(C(=O)NCc2cccc(C(F)(F)F)c2F)c(C)s1 215597080 QAHIZZRYWHJCHV-UHFFFAOYSA-N 332.322 3.848 0 50 EHAA C[C@H](O)C[C@@H](CNC(=O)N1C[C@@H](C)c2ccccc21)c1ccccc1 221872384 WMRPXVAHALHFAP-RYRKJORJSA-N 338.451 3.874 0 50 EHAA Cc1occc1C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225404278 KZFLYMUNYXZZEJ-IAQYHMDHSA-N 339.313 3.555 0 50 EHAA CCC(=O)N1CC[C@@H](c2nc([C@@H](CC)c3ccc(Cl)cc3)no2)C1 225597067 IPBYHFIIIFENGR-HIFRSBDPSA-N 347.846 3.991 0 50 EHAA C[C@H](CC(=O)N1CC[C@@](C)(C(=O)O)C1)c1ccccc1C(F)(F)F 237542071 ZZZMIGYLJPDDQB-BDJLRTHQSA-N 343.345 3.522 0 50 EHAA O=C(c1ccoc1C1CC1)N1CCC(O)(c2ccccc2Cl)CC1 241644711 PSVPFFGXJZLNFZ-UHFFFAOYSA-N 345.826 3.934 0 50 EHAA CC(C)c1csc(C(=O)N[C@H](c2ccccc2)[C@H]2C[C@@H](O)C2)n1 253378357 CIVNDFKMEOEENN-IJEWVQPXSA-N 330.453 3.509 0 50 EHAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1cccn1C 253395097 MEWRVCPIIIPRSN-YQVWRLOYSA-N 338.451 3.891 0 50 EHAA CN(C(=O)[C@@H]1CCOc2ccc(Cl)cc21)c1ccc(Cl)cn1 253419577 PTSVSIHKQGADCN-GFCCVEGCSA-N 337.206 3.918 0 50 EHAA C[C@@H]1CC[C@H]2[C@H](C1)c1c(nc(O)n(-c3ccccc3)c1=O)OC2(C)C 253486966 BQPIXXRVTMMDDC-SNPRPXQTSA-N 340.423 3.629 0 50 EHAA CN(CCc1ccccc1)Cc1ccc(OC[C@@H]2CCCNC2)cc1 299786096 MTAPRRBTCXIYLO-OAQYLSRUSA-N 338.495 3.740 0 50 EHAA Cc1nc(-c2cccc(NC(=O)c3ccc(-c4cnco4)cc3)c2)n[nH]1 341868396 OTAPVZHSQLWTOY-UHFFFAOYSA-N 345.362 3.687 0 50 EHAA Cc1[nH]c2c(c1C(=O)NCCCn1ccc3ccccc31)C(=O)CCC2 670451543 HXMGVXWPUPUEPS-UHFFFAOYSA-N 349.434 3.617 0 50 EHAA O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N[C@@H]1CCC(F)(F)C1 675670490 BGVONRQSNQHMPC-GFCCVEGCSA-N 340.757 3.842 0 50 EHAA COc1cc(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)cnc1OC 861416195 KXHDWIWZSUFLDP-AWEZNQCLSA-N 347.802 3.731 0 50 EHAA CCc1noc2ncc(C(=O)N3CCCCC[C@@H]3C(F)(F)F)cc12 906185931 ZDJPWFLPSICKAB-CYBMUJFWSA-N 341.333 3.732 0 50 EHAA Cc1cn2ccc(C(=O)N[C@H](C)c3cccc(OC(F)F)c3)cc2n1 1464165009 SQMCFFCKJMJWTQ-GFCCVEGCSA-N 345.349 3.735 0 50 EHAA COc1ccc2ccccc2c1CCNC1CSCCSC1 1506402440 OWXKNSRMHLQLSY-UHFFFAOYSA-N 333.522 3.829 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Cc3c(C)cc(C)cc3C)C[C@@H]21 1704297850 DOUUWIHETUUEHK-SLYNCCJLSA-N 329.484 3.554 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC[C@]2(CCC[C@H]2O)C1 1704298016 BOEQPJFGISOSFQ-DZQUYAIASA-N 331.500 3.747 0 50 EHAA O=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)C1CCC1 1857798474 INEPYJUOQCWSTF-UHFFFAOYSA-N 349.839 3.911 0 50 EHAA CN(C(=O)c1ccc(C(=O)NC2CC2)cc1)[C@H]1C[C@H](c2ccccc2)C1 1875297051 AQKLCQJVFMGIDB-KESTWPANSA-N 348.446 3.597 0 50 EHAA O=C(N[C@H]1C[C@@H](COc2ccccc2)C1)c1cccc2cnccc12 2325855911 UHVFUMWNEDNQIX-WOVMCDHWSA-N 332.403 3.822 0 50 EHAA Cc1cccnc1[C@H](N=c1[nH]oc(-c2ccccc2)c1C(=O)O)C1CC1 2356162355 IMUPLGHGHJFFLW-QGZVFWFLSA-N 349.390 3.728 0 50 EHAA CC(=O)Oc1ccc(C(=O)Nc2ccccc2Br)cc1 31671 SYOSLHKBZGNSNC-UHFFFAOYSA-N 334.169 3.627 0 50 EHAA Cc1ccc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 465390 KDIDIQXEJJCXCV-UHFFFAOYSA-N 328.843 3.540 0 50 EHAA O=C(CCc1ccc(-c2cccs2)o1)N[C@H]1CC[C@@H](C(=O)O)CC1 2356167626 WBFDIJAMXQJHNI-BETUJISGSA-N 347.436 3.700 0 50 EHAA S=C(NCCn1cc(Cl)cn1)Nc1cccc(Cl)c1Cl 2857355 YFKPGYCMJUQPAP-UHFFFAOYSA-N 349.674 3.830 0 50 EHAA CN(C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 4834198 RLVBTSREZWKFDM-CQSZACIVSA-N 332.271 3.998 0 50 EHAA CN(CCCCO)C(=O)Nc1ccccc1N1CCc2ccccc21 225563284 OWUVWJMYUSZPRR-UHFFFAOYSA-N 339.439 3.617 0 50 EHAA COc1ccc(OC)c(CN2CCN(c3cccc(C)c3C)CC2)c1 55543774 HOIQOEVLNICWIS-UHFFFAOYSA-N 340.467 3.643 0 50 EHAA CC(C)NC(=O)c1ccc(NC(=O)c2ccccc2OC(F)F)cc1 55755512 ILWPNJSDVHEFLW-UHFFFAOYSA-N 348.349 3.679 0 50 EHAA CSc1ccc(-c2nc(CN3CCC[C@@H](CN)C3)c(C)o2)cc1 67935126 NZUFBPWDRBJYSY-AWEZNQCLSA-N 331.485 3.543 0 50 EHAA CCOC(=O)c1cc(C)sc1NC(=O)COc1ccc(CC)cc1 6709496 RIJFLRAVGRQTKM-UHFFFAOYSA-N 347.436 3.813 0 50 EHAA O=C(Nc1cccnc1)C1CN(C(c2ccccc2)c2ccccc2)C1 20723091 YLACVSPJQFFLOC-UHFFFAOYSA-N 343.430 3.742 0 50 EHAA C[C@@H]1CCCCN1CCC(=O)N[C@@H]1CCSc2c(F)cccc21 253404952 GCWDLELVKWRCRG-CZUORRHYSA-N 336.476 3.743 0 50 EHAA Fc1ccc(-c2ccc(CN[C@H]3CN4CCC3CC4)o2)cc1Cl 20477349 ASYRTUIOWORHKC-KRWDZBQOSA-N 334.822 3.923 0 50 EHAA Cc1ccc(C)c([C@@H](NC(=O)c2scnc2C)c2cccnc2)c1 67654597 AURNENSCLYZMGY-KRWDZBQOSA-N 337.448 3.983 0 50 EHAA O=C(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ccccc1F 3069925 XFLLKVKROFRFON-UHFFFAOYSA-N 334.561 3.938 0 50 EHAA Cc1sc(-n2cccc2)c(C(=O)N[C@@H]2CCN3CCCC[C@@H]23)c1C 229726491 WHNHIJAKTVYMAQ-CVEARBPZSA-N 343.496 3.512 0 50 EHAA CC(C)N(Cc1ccco1)C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1 364508128 SRFZQENCLPUXIC-MRXNPFEDSA-N 344.459 3.535 0 50 EHAA COCCC[C@@H]1CCCN(Cc2cnn(-c3cccc(C)c3)c2)C1 77488694 CVHRZRGYQDJBCF-SFHVURJKSA-N 327.472 3.819 0 50 EHAA Cc1n[nH]c(C)c1NC(=O)Nc1ccnc(OCc2ccccc2)c1 337578545 LKDCLMTUYXLLFY-UHFFFAOYSA-N 337.383 3.645 0 50 EHAA CC(C)CCc1cc(NC(=O)c2ccncc2C(F)(F)F)n[nH]1 337635236 RUZSNNGNZGDPGP-UHFFFAOYSA-N 326.322 3.664 0 50 EHAA Cc1ccccc1CSCC(=O)N(Cc1ccncc1)C1CC1 222900961 ZZHUTUCNUOCXPT-UHFFFAOYSA-N 326.465 3.814 0 50 EHAA COc1ccc(C(N)=O)cc1OCc1ccc(Cl)cc1Cl 226318964 VQSWRNSAFAXTRA-UHFFFAOYSA-N 326.179 3.680 0 50 EHAA CC(C)(C)/C=C/C(=O)OC1CCN(c2nncc3ccccc23)CC1 176966266 AMCNPRXIMUACKY-DHZHZOJOSA-N 339.439 3.744 0 50 EHAA CCOc1ncccc1NC(=O)N1CCC(OCC2CCCC2)CC1 177273534 FZDHNONCZXCHCN-UHFFFAOYSA-N 347.459 3.683 0 50 EHAA CCC[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1nccn1C 220436291 BRHAQAYGJMCEQY-SFHVURJKSA-N 338.455 3.882 0 50 EHAA Fc1cccc([C@]2(CNc3ccc(-n4ccnc4)cc3)CCOC2)c1 20877861 ILKGMVXGZUMMOQ-FQEVSTJZSA-N 337.398 3.782 0 50 EHAA Cc1ccc2nccc(N3CCC(CCN4CCCC4=O)CC3)c2c1 96149547 UTPQPQXMTQWLOC-UHFFFAOYSA-N 337.467 3.772 0 50 EHAA CCn1cc(NC(=O)N[C@H](CC2CCC2)c2ccccc2)ccc1=O 180030321 QGVWSQBPBQVUBK-GOSISDBHSA-N 339.439 3.921 0 50 EHAA CCOCC(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C 91587192 HOKDLQJIEQPQPM-CQSZACIVSA-N 337.423 3.548 0 50 EHAA C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ncccc1-c1ccccc1 181441250 QZMXOGWEQUHKIZ-WBVHZDCISA-N 340.423 3.661 0 50 EHAA CC[C@H](NC[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1ccc(F)cc1F 299754059 SYMHHTHZAYNWNH-FASAQXTFSA-N 349.425 4.000 0 50 EHAA CCc1nn2c(c1C(=O)NC1CCCCC1)N[C@H](c1ccccc1)C2 263619302 YBADNGIUEFXCPQ-KRWDZBQOSA-N 338.455 3.675 0 50 EHAA CN(CCC[C@@H]1CCCO1)C(=O)c1cccc(-c2ccncc2F)c1 299764086 RUZNDKFAZMLUDH-QGZVFWFLSA-N 342.414 3.919 0 50 EHAA Cc1csc(SCC(=O)N[C@@H](CC(C)C)c2cccnc2)n1 821004055 MOMMOVPENYWGEA-AWEZNQCLSA-N 335.498 3.842 0 50 EHAA COc1cc(CN[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)ccc1F 952971198 RTWUFRUWRRKUAX-XAGROICKSA-N 333.447 3.644 0 50 EHAA CC(C)(C)c1ncc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)cn1 408279906 LQBDZJFFCHGJDM-NSHDSACASA-N 344.381 3.969 0 50 EHAA Cc1oc(CN(C)C(=O)C2(c3cccc(Cl)c3)CC2)cc1C(=O)O 268938189 PWKSGGBKZDXZLR-UHFFFAOYSA-N 347.798 3.630 0 50 EHAA CC(C)Cc1ncc(CN2C[C@@H](CO)[C@H](c3ccsc3)C2)s1 190291265 CXSJDVTYNNUHGJ-HOCLYGCPSA-N 336.526 3.611 0 50 EHAA COc1ccc2oc(C)c(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)O)c2c1 762219602 AZSBDGPCGQBEEL-AUUYWEPGSA-N 345.395 3.513 0 50 EHAA O=C(COc1ccc(Br)cc1Cl)NC1CCCCC1 458415 JXYZKTGGUJCRQY-UHFFFAOYSA-N 346.652 3.930 0 50 EHAA CCCCN(Cc1cccc(Cl)c1)C(=O)c1cnc(O)cc1O 1506408087 BHEFDPSMPAEQBQ-UHFFFAOYSA-N 334.803 3.589 0 50 EHAA Cn1nccc1CN(CCc1c[nH]c2ccccc12)Cc1cccnc1 1506419478 CRPIGOYCQOXCFY-UHFFFAOYSA-N 345.450 3.541 0 50 EHAA CSc1nc(N)cc(N[C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)n1 1529153175 RRECXITVYBGBMX-HNNXBMFYSA-N 342.472 3.775 0 50 EHAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3ccc(Cl)s3)C1)CC2 1704358408 KOQDNYSZOXYMEV-QGZVFWFLSA-N 333.888 3.980 0 50 EHAA C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1cnn(Cc2ccccc2)c1 120641020 QRLOCNGCNQMLAB-OAHLLOKOSA-N 344.418 3.904 0 50 EHAA C=Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)cc1 11662955 AZFMZCCSLYZVRE-IBGZPJMESA-N 338.426 3.863 0 50 EHAA CC[C@H](C)NC(=O)c1sc2ncnc(NCc3ccco3)c2c1C 12028061 NGVURDJULWAHSB-JTQLQIEISA-N 344.440 3.733 0 50 EHAA COc1cc(-c2nccn2C[C@H]2CCC[C@@H](N)C2)cc(Cl)c1OC 1875243489 IYPILSCPNPLBIH-GXTWGEPZSA-N 349.862 3.738 0 50 EHAA CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NC[C@@H](C)O 4056162 VVQMCQHJXZWPKZ-MRVPVSSYSA-N 343.210 3.511 0 50 EHAA CC(C)(C(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccc(Cl)c1 123146642 XKGDSKQKNYIDRG-QGZVFWFLSA-N 344.842 3.693 0 50 EHAA CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1cnn(C(C)C)c1N 242292520 YMXCZWPPHVGYAN-MRXNPFEDSA-N 332.423 3.655 0 50 EHAA Cc1[nH]ccc1C(=O)NCCc1c[nH]c2ccc(Br)cc12 390834469 ZJQCUSWBHIWNIU-UHFFFAOYSA-N 346.228 3.539 0 50 EHAA Cc1sc(C(=O)O)cc1CN1CCC([C@@H](O)c2ccccc2)CC1 833032983 RWDMOIXTIOEYHK-SFHVURJKSA-N 345.464 3.700 0 50 EHAA Cc1cc(-c2noc([C@@H]3CC(C)(C)Oc4ccccc43)n2)cc(=N)[nH]1 1875285891 DXSQILSTKDBYHR-CQSZACIVSA-N 336.395 3.546 0 50 EHAA O=C(N[C@@H](CO)c1ccc(F)c(Cl)c1)c1cc(Cl)ccc1F 1875355884 DJJWTMFZPVRFMF-AWEZNQCLSA-N 346.160 3.735 0 50 EHAA CC1(C)CC(NC(=O)[C@H]2[C@H]3CC[C@@]2(c2ccnn2C2CCC2)C3)C1 1875395494 CPLBFBKCRWHJBH-ZLXGRDSLSA-N 327.472 3.581 0 50 EHAA Cc1cc(=N[C@@H](C)c2cccc(-n3ccnc3)c2)[nH]c(C2CCC2)n1 1875321885 ZXJKPSGVYLALPW-HNNXBMFYSA-N 333.439 3.833 0 50 EHAA Brc1cnn(C2CCN(Cc3ccsc3)CC2)c1 328586943 HCKQNGYNEACORT-UHFFFAOYSA-N 326.263 3.544 0 50 EHAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cc1ccc(Cl)cc1 2084329442 DVKNHXAOMWZROQ-FUHWJXTLSA-N 334.891 3.605 0 50 EHAA C/C(=C\C1CCC(C)CC1)c1nc(C(C)(C)S(C)(=O)=O)no1 2325774388 XQVNKNMETWCFRR-ZRDIBKRKSA-N 326.462 3.579 0 50 EHAA Cc1ccc(N2C(=O)c3cccc4c(C(=O)O)ccc(c34)C2=O)cc1 97009 GTVCVDZZVCAZHQ-UHFFFAOYSA-N 331.327 3.647 0 50 EHAA Cc1ccc(NC(=O)c2ccn(C(=O)Nc3ccccc3)n2)c(C)c1 104579 PQJCMDLWTYZJFV-UHFFFAOYSA-N 334.379 3.832 0 50 EHAA COc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)cc1 258942 RUXQHFWNAXLQOV-UHFFFAOYSA-N 330.434 3.607 0 50 EHAA O=C(Nc1cccc2ccccc12)[C@H]1CC(=O)N(c2ccccc2)C1 327470 BUNRJIXMCUTRIW-INIZCTEOSA-N 330.387 3.831 0 50 EHAA CC(C)(C)c1ccc(OCC(=O)N2CCCC2)c(Br)c1 514419 KUYSOTONNMOOKY-UHFFFAOYSA-N 340.261 3.748 0 50 EHAA O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1Cc1cccs1 611809 FDYFZTXQXZTBHZ-FQEVSTJZSA-N 335.428 3.792 0 50 EHAA CCC[C@H]1[C@H]2C[C@H](CN(Cc3csc(C)n3)C2)[C@@H]2CCCCN12 2356144638 GVVHXDKJMNDCAZ-NBMJBFSESA-N 333.545 3.926 0 50 EHAA COc1ccc(-c2nc(=S)c3c(n2CCCO)CCCC3)cc1 2847352 BDVVWYFRFFOGTG-UHFFFAOYSA-N 330.453 3.549 0 50 EHAA Cc1cccc(OCC(=O)Nc2cc3c(C)cc(=O)oc3cc2C)c1 2957785 NCPIRWNQLARUHJ-UHFFFAOYSA-N 337.375 3.736 0 50 EHAA O=C1NCCCCCCCCCC1(Br)Br 3075377 LZJAJFQEJCCIPW-UHFFFAOYSA-N 341.087 3.723 0 50 EHAA COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3cccc(F)c3)[C@H]1CC2 4006074 CPUDBCXBEMUHQO-PXNSSMCTSA-N 338.382 3.704 0 50 EHAA CCOc1ccc(CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 6741303 GSTDDSMNQWBXAH-AWEZNQCLSA-N 343.423 3.522 0 50 EHAA CC(=O)c1c(C)nc2nc(SCc3cccc(Cl)c3)nn2c1C 6764346 PWQACXAMHCOECZ-UHFFFAOYSA-N 346.843 3.889 0 50 EHAA CN(c1ccccc1)c1ccccc1C(=O)N1CC[C@H](N2CCCC2)C1 171440248 KVZZTUSDCDYHLN-IBGZPJMESA-N 349.478 3.765 0 50 EHAA c1ccc(-c2cccc(N3CCC(NCc4ccncn4)CC3)c2)cc1 23231341 SYMFWTKFRUUSJL-UHFFFAOYSA-N 344.462 3.902 0 50 EHAA CN1[C@H]2CCC[C@H]1CC(NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 247011039 WGDIBTHPGNQNNG-XSLAGTTESA-N 332.875 3.575 0 50 EHAA CCCc1cc(CN(C)C(=O)CCn2c(C)cc3ccccc32)n[nH]1 55243223 BCECLUVBEIJYRQ-UHFFFAOYSA-N 338.455 3.674 0 50 EHAA Cc1cccnc1Cn1ccc(-c2cccc(-c3cnccn3)c2)n1 23506133 YABWPYUUHDPFTJ-UHFFFAOYSA-N 327.391 3.759 0 50 EHAA O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 20301297 HIFBRHUYTZXRDZ-INIZCTEOSA-N 328.799 3.583 0 50 EHAA Cc1ccc(-c2nc(CNc3ncccn3)[nH]c2-c2ccccn2)cc1 67820071 SSCBLODOKQTXHS-UHFFFAOYSA-N 342.406 3.849 0 50 EHAA Cc1nnc(CCCN2CCC[C@@H]2[C@H]2CCCc3ccccc32)o1 252510985 CREVZWPFPTTYDE-RBUKOAKNSA-N 325.456 3.895 0 50 EHAA CC1(C)CN(C(=O)c2c[nH]c3ncccc23)CC[C@H]1C(F)(F)F 360910946 XYQGBJXVWGSYPT-GFCCVEGCSA-N 325.334 3.614 0 50 EHAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCC([C@@H]3CCCO3)CC2)o1 253425645 DKDGTHZZRRPSGH-KDOFPFPSSA-N 334.460 3.510 0 50 EHAA COc1cc(C(=O)Nc2ccc(C)c(F)c2)ccc1OC(F)F 375205 MCGVQUQFOXEGED-UHFFFAOYSA-N 325.286 3.996 0 50 EHAA Cc1cccc(C(=O)Nc2ncn(Cc3c(F)cccc3Cl)n2)c1 2800308 CAOCRTLBWHUANO-UHFFFAOYSA-N 344.777 3.680 0 50 EHAA COC[C@H](C)C1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1 72432357 PCXLMBKKNYSENT-KRWDZBQOSA-N 333.516 3.885 0 50 EHAA Fc1cc(CN2CCCN(Cc3cccnc3)CC2)ccc1Cl 72169271 KNPKTJYVPJBVAI-UHFFFAOYSA-N 333.838 3.582 0 50 EHAA Cc1ccc(NC(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1 328586347 LYKXHUGJBIMMGE-WMLDXEAASA-N 332.350 3.613 0 50 EHAA CC(C)c1nc([C@H]2CCCN2Cc2ccc(-c3cc[nH]n3)o2)no1 328587623 DIWNTJFWPXIAAH-CQSZACIVSA-N 327.388 3.513 0 50 EHAA Cc1c(NC(=O)c2cccc3c2oc(=O)n3C)sc2c1CCCC2 123772547 UQIKGKZEWCYSHN-UHFFFAOYSA-N 342.420 3.633 0 50 EHAA CCc1cc2c(NC3CCN(c4nccs4)CC3)ncnc2s1 329422163 DYBQVYHBNIAHOS-UHFFFAOYSA-N 345.497 3.791 0 50 EHAA OCCCCNc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 72426854 LNGRPQMOUCNSTO-UHFFFAOYSA-N 344.802 3.636 0 50 EHAA CN1CC[C@@H](CNC(=O)Nc2cc(F)ccc2Oc2ccccc2)C1 454705882 KSEFXCIEQLJXOP-AWEZNQCLSA-N 343.402 3.691 0 50 EHAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 241383481 MVQCVWQGAPPGDT-XLAORIBOSA-N 325.383 3.610 0 50 EHAA CC(=O)c1cc(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)c(C)nc1C 362410546 KWIZNJXCHHCBQX-ODXCJYRJSA-N 336.435 3.873 0 50 EHAA Cc1cc(=NC(=O)N2CCC(C(F)F)CC2)[nH]n1C1CCCCC1 332651560 ILBZAVCIZIKDPF-UHFFFAOYSA-N 340.418 3.628 0 50 EHAA Cc1ccc2sc(C(=O)N3CCOC[C@H]3c3cccn3C)cc2c1 487131716 QSIKERUPPVDOSF-INIZCTEOSA-N 340.448 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CC(=O)Nc1ccc(F)c(C(=O)Nc2cccc(C)c2C(C)=O)c1 158026071 YNKAZLRHJGZJAK-UHFFFAOYSA-N 328.343 3.547 0 50 EHAA Cc1nn(C)c2sc(C(=O)N3C[C@@H](C)Oc4cc(F)ccc43)cc12 173517903 UUILNUATKAJUAY-SECBINFHSA-N 345.399 3.510 0 50 EHAA O=C(O)C1(CCCc2ccccc2)CCN(Cc2ccncc2)CC1 71765277 ZFVCZNIZHATNBJ-UHFFFAOYSA-N 338.451 3.771 0 50 EHAA CC(C)=CCN1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 72122254 HWTGXCFWTGTZKN-VAMGGRTRSA-N 332.438 3.793 0 50 EHAA CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccc(OC)cc1 245393427 CTHYYUMGDOTWLX-MJGOQNOKSA-N 330.472 3.623 0 50 EHAA CSc1nc(C(=O)NCc2cc(-c3ccc(F)cc3)no2)cs1 220036456 UOJNWJGXSSFXQQ-UHFFFAOYSA-N 349.412 3.589 0 50 EHAA CCn1nc(CC(C)C)cc1C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 91617031 BKVWIVXJQUNQOT-ZDUSSCGKSA-N 347.434 3.740 0 50 EHAA O=C(NCc1cncn1C1CC1)Nc1cccc(OC2CCCC2)c1 96141649 WUBKUVORILTHEQ-UHFFFAOYSA-N 340.427 3.861 0 50 EHAA CCCn1ncc(C(=O)N2CCC[C@@H]2c2ccccc2OC)c1C 91846758 CHKDVKCZNAASEG-QGZVFWFLSA-N 327.428 3.587 0 50 EHAA COC(=O)CCSc1c2c(nc3ccc(OC)cc13)CCCC2 238900257 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EHAA Cc1ccc2c(c1)nc(CNC(=O)N1CCC[C@H]1c1ccccc1)n2C 670162380 IKXQTNMSQMMKBK-SFHVURJKSA-N 348.450 3.928 0 50 EHAA CC(C)Cc1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)nc(O)n1 1506427536 NJMQJWLMEZKCKJ-MRXNPFEDSA-N 343.427 3.731 0 50 EHAA O=C(CSc1nncn1C(=O)/C=C/c1ccccc1)c1ccccc1 5031593 IANKFCDVEBQKBF-VAWYXSNFSA-N 349.415 3.607 0 50 EHAA CCC(=O)Nc1cccc(NC(=O)COc2ccccc2Cl)c1 12651482 HPOIBOIUYLNXED-UHFFFAOYSA-N 332.787 3.706 0 50 EHAA O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc2c(c1)OCO2 16431079 REMRZQHYIVMDTH-UHFFFAOYSA-N 342.370 3.797 0 50 EHAA Cc1ccccc1Cc1noc([C@H]2CCCN2c2nccs2)n1 225479181 PMUNWADQOKVAEX-CQSZACIVSA-N 326.425 3.767 0 50 EHAA CC(C)CC1(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)CCC1 465092103 STCPOSARHHCGEY-MSOLQXFVSA-N 348.531 3.748 0 50 EHAA CCc1noc([C@@H]2CC[C@H](NC(=O)N3[C@H]4CCCC[C@H]4C[C@H]3C)C2)n1 927349209 MSJYDIBPUIMZEX-LEOABGAYSA-N 346.475 3.631 0 50 EHAA Cc1noc(C)c1CN(C)[C@@H](C(=O)O)c1ccc(Cl)cc1Cl 833020966 FWIPGGNXJJXMAJ-CQSZACIVSA-N 343.210 3.856 0 50 EHAA 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CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4577275 HHUZGDMRRLQZIQ-DKECIDQSSA-N 334.500 3.566 0 50 EHAA O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1F 6702775 FHCSRWNJBWDWNU-UHFFFAOYSA-N 345.761 3.502 0 50 EHAA COc1cccc(N2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)c1 6715545 IMWFVMUKBPRTQY-UHFFFAOYSA-N 339.439 3.666 0 50 EHAA Cc1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 9230445 BGLXXPGSOOZDRX-OAHLLOKOSA-N 340.423 3.996 0 50 EHAA CC[C@H]1CCCCN1C(=O)CCSc1ccc2c(c1)OCCO2 55393128 BFYGSIAGVUXNSL-AWEZNQCLSA-N 335.469 3.731 0 50 EHAA COc1cc(C(=O)Nc2cc(C(=O)OC(C)C)ccc2Cl)ccn1 55225030 LYBSKPAEAVMJAH-UHFFFAOYSA-N 348.786 3.561 0 50 EHAA O=c1cccc2n1C[C@H]1C[C@H]2CN(C2CCC(c3ccccc3)CC2)C1 109972462 ARCOJABDEFMNPH-AFVILVPDSA-N 348.490 3.994 0 50 EHAA Cc1c(CN(C)CCC(=O)N2CCC[C@@H](C)C2)[nH]c2ccccc12 67605434 COEUAWMBKSGHLS-OAHLLOKOSA-N 327.472 3.557 0 50 EHAA Cc1cccc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)c1Cl 67817432 YBKRZQPZBLXHGU-UHFFFAOYSA-N 329.831 3.793 0 50 EHAA 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SIVHVMQFZSWNJF-UHFFFAOYSA-N 348.358 3.557 0 50 EHAA CCn1ccnc1[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 280755404 AKBWMXRWSWROFS-RCCFBDPRSA-N 341.430 3.899 0 50 EHAA CC[C@H](CO)N(Cc1ccc(F)cc1)Cc1cnc2ccccc2n1 63868516 WYOGZGDXERBGDA-GOSISDBHSA-N 339.414 3.542 0 50 EHAA Cc1cc(CNC(=O)CN(C)C)c2[nH]c(-c3ccccc3)c(C)c2c1 12458330 IEHFMVUBECJDIS-UHFFFAOYSA-N 335.451 3.630 0 50 EHAA CC1(C)C[C@H](c2ccccc2)N(C(=O)Nc2cccc(C(N)=O)c2)C1 424115854 WGJGSOOPWKLIEF-QGZVFWFLSA-N 337.423 3.791 0 50 EHAA COCc1noc([C@H](C)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)n1 281963197 GHCYKTSOAGKBCA-IAOVAPTHSA-N 325.412 3.597 0 50 EHAA COc1ccccc1/C=C/CN1CCC(c2nnc3ccccn23)CC1 120912773 MDGBZMZZLXKHQN-SOFGYWHQSA-N 348.450 3.631 0 50 EHAA O=C(c1cnc2n1CCCC2)N(CCC(F)(F)F)C1CCCCC1 252537444 LENFVODIEQLNDC-UHFFFAOYSA-N 343.393 3.947 0 50 EHAA CC1(C)[C@H](NC(=O)N2CCC[C@@H]2CC2CCCCC2)[C@H]2CCO[C@H]21 252515321 IQSPPQGJPXZFMR-BRSBDYLESA-N 334.504 3.944 0 50 EHAA COc1cc(NC(=O)NC2(c3ccccc3)CC2)cc(OC)c1OC 140705 FPNGPRBHJCFRRG-UHFFFAOYSA-N 342.395 3.523 0 50 EHAA Cc1ccc([C@H]2CCCN2C(=O)N=c2cc(-c3ccoc3C)o[nH]2)o1 328588473 PYBCISSAXFCOPY-CQSZACIVSA-N 341.367 3.935 0 50 EHAA Cc1cc2nc(C(C)C)cc(N(C)Cc3cc(C(C)C)on3)n2n1 72419149 MLWCYYXOTPDJMC-UHFFFAOYSA-N 327.432 3.909 0 50 EHAA Cc1ccc2c(c1)CC[C@@H](C(=O)N1CCC[C@H]1c1csc(C)n1)O2 253427992 FXSDHSBPAABVTC-WMZOPIPTSA-N 342.464 3.817 0 50 EHAA Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3ncc(C)[nH]3)C2)cc1 77470949 DJSRSKPXGYRURV-KRWDZBQOSA-N 335.455 3.796 0 50 EHAA O=C(c1cc[nH]c1C1CC1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 368499381 PMHLBLYSRDUPTP-IBGZPJMESA-N 342.414 3.617 0 50 EHAA COc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)cc1OC 13132397 CYFKTMPGQVFMFJ-CQSZACIVSA-N 349.390 3.568 0 50 EHAA COc1ccc(N[C@@H]2CCCN(Cc3ccccc3OC)C2)cc1 39420490 RKQFTYUTVORCIE-GOSISDBHSA-N 326.440 3.780 0 50 EHAA O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1C[C@@H]1C1CCCCC1 172832724 TWKKHNHEUWSDOT-HZPDHXFCSA-N 325.456 3.828 0 50 EHAA CCSc1ncc(CN2CCC(Oc3ccc(F)cc3)CC2)cn1 215854922 APFLAWYEADVJDO-UHFFFAOYSA-N 347.459 3.771 0 50 EHAA CCSc1nccnc1C(=O)N(c1ccc(OC)c(F)c1)C(C)C 241862497 SQMJEYNRVIDBMH-UHFFFAOYSA-N 349.431 3.792 0 50 EHAA O=C(Nc1nc(-c2cccs2)cs1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O 225705582 XQXIQMFKLMRVGE-WTTBSCSTSA-N 348.449 3.557 0 50 EHAA COc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1CCn1ccnc1 82092051 LPCYPDDHWYDDAE-OAHLLOKOSA-N 347.846 3.630 0 50 EHAA c1cc(CN2CCCCC2)cc(-c2noc(CC[C@H]3CCOC3)n2)c1 177318928 SKBNUTQWCPMUEE-INIZCTEOSA-N 341.455 3.692 0 50 EHAA CN(C)c1ccc(C(=O)N2CCCC[C@H]2CCCO)c2ccccc12 223251610 PLEKVEVHJUWESU-INIZCTEOSA-N 340.467 3.673 0 50 EHAA C[C@@H]1C[C@@H](N)CCN1Cc1cnc(-c2cccc3ccccc23)nc1 426526955 QSMVPRFZAMPBEG-QAPCUYQASA-N 332.451 3.608 0 50 EHAA CC[C@@H](C)COC(c1ccccc1)(c1ccccc1)[C@H](O)C(=O)OC 334163553 WSGUVTRWNPKRPW-VQIMIIECSA-N 342.435 3.527 0 50 EHAA Cc1cc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)cc(C)n1 91441377 YBFRVMHTMNYSPH-LJQANCHMSA-N 347.466 3.722 0 50 EHAA CCS(=O)(=O)c1cccc(-c2ccc(-c3nnc(C)o3)cc2)c1 96152138 MGWGGLYKQBRUMD-UHFFFAOYSA-N 328.393 3.506 0 50 EHAA CCCOc1ccc(S(=O)(=O)Oc2ccccn2)c2ccccc12 230518349 GNWYAHOXILXLJN-UHFFFAOYSA-N 343.404 3.791 0 50 EHAA O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccnc2ccncc12 356551675 JSTOCLFWJQNFPP-HNNXBMFYSA-N 345.324 3.706 0 50 EHAA Cc1cc(F)ccc1N1CCC(NCc2cc(C3CC3)on2)CC1 534673875 XKIGZUDDBRKMGU-UHFFFAOYSA-N 329.419 3.758 0 50 EHAA CN(C(=O)c1oc(C2CC2)nc1C(F)F)c1cnc2ccccc2n1 1340743960 IVFGXWIVYMDSMR-UHFFFAOYSA-N 344.321 3.709 0 50 EHAA Cc1nc(-c2cnc(C3CC3)nc2O)n(-c2ccc(Cl)cc2C)n1 952862285 OEXJBIVTJOGQTM-UHFFFAOYSA-N 341.802 3.578 0 50 EHAA Cc1ccc([C@H](C)NCc2cccc(CN3CCO[C@@H](C)C3)c2)o1 221892922 OBXJKMIFYULFOV-IRXDYDNUSA-N 328.456 3.660 0 50 EHAA O=C(CCc1ccc(F)cc1F)N[C@H]1CCOc2c(F)cccc21 188993003 ZRYRXIWSCSEJIB-INIZCTEOSA-N 335.325 3.677 0 50 EHAA Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc2nnc(C(C)C)n2c1 189228243 KORGJIBWZPSVNF-NSHDSACASA-N 341.415 3.590 0 50 EHAA Cc1nc(-c2cccc(NC(=O)Cc3ccc(Cl)s3)c2)n[nH]1 193429430 NNVJLSJZGWOBNK-UHFFFAOYSA-N 332.816 3.676 0 50 EHAA COc1cc2c(cc1OC)[C@@H](C)N(C(=O)/C=C/c1ccccc1)CC2 271528 YAIXIZHSKLFFMI-BOLDSZDNSA-N 337.419 3.863 0 50 EHAA Cc1cc(Cl)cc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c1 1529120378 YMICXMXIAJWJHB-MHGIMSBQSA-N 334.891 3.839 0 50 EHAA CN1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@]2(CCc2ccccc2)C1 1772805126 ZSCCDTUZWBGEQJ-IFMALSPDSA-N 338.470 3.822 0 50 EHAA Oc1cc(C2CCN(Cc3nc4c(s3)CCCC4)CC2)ccn1 1772811923 BTANITPQOJTKQQ-UHFFFAOYSA-N 329.469 3.502 0 50 EHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)C(C)(C)C)C1 12467191 HZDYPFNZAHGSHK-FQEVSTJZSA-N 349.446 3.586 0 50 EHAA CC[C@@H](C)CC(=O)NC[C@H]1Cc2cc(C)cc(-c3ccccn3)c2O1 14985735 BVCSZAZHVCHMBZ-RHSMWYFYSA-N 338.451 3.913 0 50 EHAA Cc1ncoc1C(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 15064887 ASFKGOYTTLCSGN-CYBMUJFWSA-N 334.366 3.746 0 50 EHAA Cc1nccn1CCn1ccc(-c2cccc(-c3nccs3)c2)n1 19837656 IQIKHGRZWXQHQP-UHFFFAOYSA-N 335.436 3.879 0 50 EHAA C[Si](C)(C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169816489 BSFLZHNGSJZLQC-UHFFFAOYSA-N 332.595 3.573 0 50 EHAA C[S@@](=O)Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 131429045 VTBRGBSBLQHCQP-WBPRFABPSA-N 347.867 3.961 0 50 EHAA CCN(CC(=O)N1CCCCCC1)C(=O)c1scc(C)c1Cl 343588665 JBKUFVRZQUBDKG-UHFFFAOYSA-N 342.892 3.575 0 50 EHAA COC1CCC(N(C)CC(=O)Nc2ccc3ccccc3c2)CC1 265181994 FDBJVRSBXDTYQC-UHFFFAOYSA-N 326.440 3.668 0 50 EHAA Cc1nc([C@@H](C)NC(=O)c2ccccc2C2CCC2)sc1C(=O)O 907626738 DQWIYUPEWPLRQX-LLVKDONJSA-N 344.436 3.908 0 50 EHAA Cc1ccc(F)c2oc(C(=O)N3CCC[C@H]3c3ccnn3C)cc12 830101820 OMOSOHOFWLPASR-HNNXBMFYSA-N 327.359 3.591 0 50 EHAA Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@H]1CN1CCCC1=O 932524459 KTJAKORSWQYSAL-HNNXBMFYSA-N 346.471 3.503 0 50 EHAA COc1nccc(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)n1 935334714 LDYWULINXLVHBI-VFNNOXKTSA-N 343.452 3.645 0 50 EHAA Cc1nccn1-c1ccc(F)cc1CNC(=O)N(C)[C@@H]1CC[C@H](C)C1 1875263728 GZHXMRPGPRBRKJ-SUMWQHHRSA-N 344.434 3.650 0 50 EHAA Cc1ccc2nc(C3CC3)cc(C(=O)NCC[C@@H](O)C3CCC3)c2c1 1875358167 MEMMXDLAMGNJGV-HXUWFJFHSA-N 338.451 3.702 0 50 EHAA CN(C[C@H]1CCCN1C)C(=O)c1cccc(-c2nc3ccccc3o2)c1 2325802245 TUQYENRRAFHCCU-QGZVFWFLSA-N 349.434 3.661 0 50 EHAA Brc1cnc2[nH]cc(-c3csc(N4CCC4)n3)c2c1 2325851246 UCWQPZNCICDKNN-UHFFFAOYSA-N 335.230 3.659 0 50 EHAA CCc1ccc(C(=O)N2C[C@H](CCC(=O)O)Cc3ccccc32)s1 902828183 YNNKUZNJEKUGQU-CYBMUJFWSA-N 343.448 3.994 0 50 EHAA c1cncc(COc2ccc(-c3noc([C@H]4C[C@H]5CC[C@H]4O5)n3)cc2)c1 110593094 IXFZOZQIZHKGQH-FGTMMUONSA-N 349.390 3.746 0 50 EHAA CCOC(=O)c1nc(NC(=O)c2cc3ccccc3o2)sc1C 286750 CFVPIOBDYACREP-UHFFFAOYSA-N 330.365 3.627 0 50 EHAA Cc1ccc(-c2nc3ccccc3c(=O)n2CCCn2ccnc2)cc1 349940 CENBTWLOCOPWCJ-UHFFFAOYSA-N 344.418 3.659 0 50 EHAA Cc1cc(OCCn2cnc3ccccc3c2=O)cc(C)c1Cl 614264 FDVMKOPMJYWXSQ-UHFFFAOYSA-N 328.799 3.746 0 50 EHAA CCCCN(C)CCC(=O)Nc1ccc(Br)c(C)c1 2765126 BWYIUKSCLYBHQC-UHFFFAOYSA-N 327.266 3.818 0 50 EHAA CCc1ccc2occ(CC(=O)Nc3nnc(SC)s3)c2c1 2877297 MLWLFPQHKYFYRA-UHFFFAOYSA-N 333.438 3.750 0 50 EHAA C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)O 4772103 IHPVIWJZZRTWJJ-SNVBAGLBSA-N 344.750 3.965 0 50 EHAA Cc1nc(C)c(CN2CC[C@H](C3CCN(CC(C)C)CC3)C2)nc1C 11952299 ZCXRRUWCGVBKCM-FQEVSTJZSA-N 344.547 3.592 0 50 EHAA O=C(C1CCC1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccn1 12438134 FDCGIAOWWOXMBM-HXUWFJFHSA-N 331.419 3.837 0 50 EHAA Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2)cc1 12656426 HDGWKDJKAKGRTL-RGEXLXHISA-N 346.386 3.998 0 50 EHAA Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=N[C@@H]2O 13282290 ZYISITHKPKHPKG-GOSISDBHSA-N 341.773 3.815 0 50 EHAA world CCc1ccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 13324889 LHRWYWWBXIYXFB-UHFFFAOYSA-N 339.439 3.725 0 50 EHAA C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 15114936 MASCESDECGBIBB-QUNVFRMTSA-N 332.484 3.630 0 50 EHAA CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@@H]12 52968892 PBHFNBQPZCRWQP-QUCCMNQESA-N 337.423 3.667 0 50 EHAA investigational CC(C)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1 55060431 WFKHUDVRMCIVIJ-UHFFFAOYSA-N 337.467 3.571 0 50 EHAA CCc1c(C(=O)N2Cc3cnc(CC(C)C)nc3C2)csc1C 67643617 LENJLABNFBSSCR-UHFFFAOYSA-N 329.469 3.763 0 50 EHAA CCC(F)(F)C(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67724025 GXYQBUUPNCYWDO-UHFFFAOYSA-N 347.409 3.752 0 50 EHAA O=C(Cc1cccnc1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71524258 UJZAQALRZRJREW-QGZVFWFLSA-N 326.415 3.635 0 50 EHAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cnn4ccccc34)C2)cc1 77355621 AIMJMKCYZQMKDS-QGZVFWFLSA-N 349.434 3.574 0 50 EHAA Cc1cc(C(=O)N[C@H](C)Cc2cncs2)c2ccc(C)c(C)c2n1 77428878 HJASNCYAEURPRS-GFCCVEGCSA-N 339.464 3.978 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N3CC(N4CCCC[C@@H]4C)C3)c2c1 77520967 KFOGMWBFUPCYRW-INIZCTEOSA-N 337.467 3.550 0 50 EHAA Cc1ncc(C(=O)N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)s1 91575370 BKTTYWHEGZOFDV-ZDUSSCGKSA-N 340.452 3.656 0 50 EHAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1 95360734 BRWNHGROPGKPET-GOSISDBHSA-N 348.402 3.886 0 50 EHAA CCN(CCO)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 96026737 UQNYZCLTLBMVQV-UHFFFAOYSA-N 345.830 3.691 0 50 EHAA Cc1ccc(-n2cnnc2)cc1NC(=O)N[C@H](C)C1=CCCCC1 96139442 LDSHKGAWTWKHCY-CQSZACIVSA-N 325.416 3.586 0 50 EHAA Cc1noc(C)c1[C@H]1CCCN1Cc1sc(N(C)C)nc1Cl 97413199 SOCXSFXPYFKQLP-LLVKDONJSA-N 340.880 3.804 0 50 EHAA O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 100622605 RIJFNUZXIFWYIK-QZTJIDSGSA-N 348.402 3.619 0 50 EHAA CC(=O)[C@@]12O[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 118912387 UQVIXFCYKBWZPJ-OCHQKFOUSA-N 330.468 3.647 0 50 EHAA biogenic C[C@H](NC(=O)Nc1ccccc1-c1ccncc1)C1CCOCC1 118988882 RCEFDSPYYGGDST-AWEZNQCLSA-N 325.412 3.685 0 50 EHAA O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2cc(-c3ccco3)on2)C1 121401721 KDIXDSUCPOUDCP-XJKSGUPXSA-N 346.333 3.521 0 50 EHAA Cc1ccccc1C1(CC(=O)O)CCN(C(=O)OC(C)(C)C)CC1 149587353 WDYLPDWQDNEXNW-UHFFFAOYSA-N 333.428 3.738 0 50 EHAA C[C@@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccc2c(c1)CCC2 153868249 SJCSZKKMOFNJBW-LBPRGKRZSA-N 333.453 3.996 0 50 EHAA Cc1nc(C2(NC(=O)C[C@@H](C)c3ccc(F)cc3F)CCCC2)no1 159304870 GZWGRXWHYFXTMG-LLVKDONJSA-N 349.381 3.736 0 50 EHAA Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCCSC3)cc2)nn1 170019201 QKZZVOXNHHYOPL-AWEZNQCLSA-N 344.440 3.594 0 50 EHAA C[C@H](Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1)C(=O)O 191398928 ASIGZHNABHTNHC-SNVBAGLBSA-N 335.762 3.995 0 50 EHAA O=C(CSCCc1cc(Cl)cc(Cl)c1)NC1CCOCC1 193744136 PNTMLVIRCREZOQ-UHFFFAOYSA-N 348.295 3.564 0 50 EHAA CC1(C)C[C@@H](CN2CCN(C/C=C/c3ccccc3)CC2)CCO1 215034542 MZGNZPDCNTYVSW-ZGBFETHSSA-N 328.500 3.523 0 50 EHAA Cc1nc([C@H]2CCCN2C(=O)c2cccc(Oc3ccccc3)c2)n[nH]1 221388897 AZZWSIRGXHAHRU-GOSISDBHSA-N 348.406 3.883 0 50 EHAA Cc1cccc(O[C@H](C(=O)N(C)CCC2CCOCC2)C(C)C)c1 223910022 TUMDAJCTIFWAJX-IBGZPJMESA-N 333.472 3.674 0 50 EHAA CCN(CCC(=O)Nc1cccc2ccccc12)CC1CCOCC1 244787993 QHKVDUGKCSGBIU-UHFFFAOYSA-N 340.467 3.917 0 50 EHAA COC(=O)[C@H]1CC12CCN(C(=O)Nc1cccc(SC)c1C)CC2 253417814 FRTNWYFPZLHWPR-CYBMUJFWSA-N 348.468 3.524 0 50 EHAA C[C@@H](NC(=O)CC(C)(C)c1ccccc1)c1nncn1C1CCCC1 299775380 DXVTZEQFVIQJAC-OAHLLOKOSA-N 340.471 3.938 0 50 EHAA COCCC[C@@H]1CCCCN1C(=O)c1cccc(-c2ncccn2)c1 299780565 AQWDSRNKVHFNGB-SFHVURJKSA-N 339.439 3.565 0 50 EHAA Cc1nc(CN(C(=O)Cc2cccnc2)c2ccc(F)cc2)cs1 346368145 DVGPTYZHIPHERY-UHFFFAOYSA-N 341.411 3.762 0 50 EHAA CN1CCC(N[C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 354973013 VXEAFSPENHNAEL-LJQANCHMSA-N 329.875 3.703 0 50 EHAA C[C@@H](NCC(C)(C)C1(O)CCOCC1)c1cccc(C(F)(F)F)c1 417389915 YAVGYHGZIBWHNG-CYBMUJFWSA-N 345.405 3.924 0 50 EHAA COc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCOC3)cc2)c(C)c1 426445513 JAXPJLVYQSIAPJ-INIZCTEOSA-N 339.435 3.827 0 50 EHAA O=C(NCCc1ccnc2ccccc12)[C@@]1(c2ccccc2)CCCO1 824932900 LDAJEOHXGANLLY-QFIPXVFZSA-N 346.430 3.599 0 50 EHAA Cc1nc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)c(C)c2)cs1 825317546 XUMLNXCKXDBXHO-UHFFFAOYSA-N 331.441 3.997 0 50 EHAA O=C(NCc1cccc(Cl)c1)c1cc2ccccc2c(=O)s1 888090545 HWLBSIQYJDRIGY-UHFFFAOYSA-N 329.808 3.845 0 50 EHAA O=S(=O)(Nc1cncc2c1CCCC2)c1cscc1C(F)F 903642851 UOKFVNCNYQBSMB-UHFFFAOYSA-N 344.408 3.760 0 50 EHAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)Cc2cccs2)c1 952972652 IUSGMRCIJHCTHO-QGZVFWFLSA-N 329.465 3.807 0 50 EHAA O=C(NCc1ccccc1F)NC1(Cc2cccc(F)c2)CCC1 1467716959 MOQUAVVVIFSYNC-UHFFFAOYSA-N 330.378 3.929 0 50 EHAA O[C@H](c1cccs1)C1CCN(CCOc2ccc(F)cc2)CC1 1529133553 OTFQLUAAGGTQMB-SFHVURJKSA-N 335.444 3.712 0 50 EHAA Cc1ccc(-c2cccc(C(=O)N3C[C@H]4CCC[C@@H](C4)C3)c2)c(N)n1 1565507530 BFRHEGABONTGNU-HOTGVXAUSA-N 335.451 3.901 0 50 EHAA CCc1nc(C)cc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)n1 1704301297 UBSQHMSFJIHTPC-VQIMIIECSA-N 348.450 3.565 0 50 EHAA C[C@@H](Cc1ccc2c(c1)OCO2)c1nccn1-c1ccc2c(c1)COC2 1772808466 RGJQTGHZBNQBQJ-AWEZNQCLSA-N 348.402 3.977 0 50 EHAA CC(C)c1ccc(OCCN(C)C[C@H]2CCC(=O)N(C(C)C)C2)cc1 1775979822 NFWRGELMFDOETC-GOSISDBHSA-N 346.515 3.768 0 50 EHAA CC(C)n1cnnc1[C@@H](C)n1ccnc1-c1cccc2ncccc12 1857683603 XTIZZFZFAKPICH-CQSZACIVSA-N 332.411 3.880 0 50 EHAA C[C@@H](OC(=O)c1cn(CC2CC2)nn1)c1ccc(C(C)(C)C)cc1 1875357725 ULGYKZUHYYTNKQ-CYBMUJFWSA-N 327.428 3.904 0 50 EHAA Cc1cccc(NS(=O)(=O)c2cnc(-c3ccccc3)s2)c1 1875359633 LGNCCGHBZUDDGU-UHFFFAOYSA-N 330.434 3.919 0 50 EHAA CC[C@]1(O)CCC[C@H]2CN(Cc3c(Cl)cncc3Cl)C[C@H]21 2356136281 NLHAOQYNMHJJHV-GHJWDPDVSA-N 329.271 3.761 0 50 EHAA Cc1sc2ncnc(SCC(=O)N3CCC(C)CC3)c2c1C 91453 IXSSWBYKEYHNJP-UHFFFAOYSA-N 335.498 3.659 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1 345111 HGCPAFJZNJRDPK-UHFFFAOYSA-N 340.242 3.867 0 50 EHAA CC(C)Oc1ccc(CON2C(=O)c3ccccc3C2=O)cc1Cl 452640 AQPWBKQAYGRJJT-UHFFFAOYSA-N 345.782 3.855 0 50 EHAA O=C(c1ccc(F)cc1Cl)N1CCN(c2ccccc2F)CC1 6713982 LBUNVEBMGZTFOW-UHFFFAOYSA-N 336.769 3.581 0 50 EHAA CCN(CC)C(=O)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8844034 PZSDMUAGBBBTEM-UHFFFAOYSA-N 347.418 3.998 0 50 EHAA O=C([C@@H]1CCCC[C@H]1c1nc(-c2ccc(F)cc2)no1)N1CCCC1 225506945 LEEHRLJFAPFMEF-HZPDHXFCSA-N 343.402 3.772 0 50 EHAA CCCCOc1c(CN[C@@H](CC)c2nc(C)no2)cccc1OC 55403166 XGUSVCYWJWTUCS-HNNXBMFYSA-N 333.432 3.806 0 50 EHAA O=C(NCc1coc(-c2ccccc2)n1)c1ccc2ncsc2c1 172695222 JSLGIJFQNIIPTI-UHFFFAOYSA-N 335.388 3.881 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 29704138 RRJVRJUWRCTCTO-CQSZACIVSA-N 339.483 3.726 0 50 EHAA Oc1ccc(CN2CCOc3c(O)cc(-c4cccnc4)cc3C2)cc1 67642538 NHYFHNJGPZCQMR-UHFFFAOYSA-N 348.402 3.554 0 50 EHAA c1cnn(Cc2ccc(-c3nc4c(cnn4C4CCCC4)[nH]3)cc2)c1 23619055 DVSHVHZSYRNAEQ-UHFFFAOYSA-N 332.411 3.786 0 50 EHAA CN1CCN(Cc2cnc(-c3ccccc3)[nH]2)[C@@H](c2ccccc2)C1 22892714 VMHZRVHIKXWPAA-HXUWFJFHSA-N 332.451 3.565 0 50 EHAA COc1ccc(CNC(=O)N2CCc3ccccc3C2)cc1Cl 1399424 IBMNHNQBSJRCFV-UHFFFAOYSA-N 330.815 3.617 0 50 EHAA Nc1nc(Nc2cccc(F)c2)sc1C(=O)c1ccc(F)cc1 1425679 YAYSSUUBFJQIGM-UHFFFAOYSA-N 331.347 3.978 0 50 EHAA CCCOc1ccccc1[C@@H]1CC(=O)NC(C)=C1C(=O)OCC(C)C 4035705 RVGAXLZZGBFUKT-INIZCTEOSA-N 345.439 3.552 0 50 EHAA Nc1nc(NCc2ccccc2)sc1C(=O)c1ccc(F)cc1 4722374 JFBJKTYJJCAKHN-UHFFFAOYSA-N 327.384 3.708 0 50 EHAA Fc1cc(Cl)ccc1[C@H]1c2nc[nH]c2CCN1Cc1ccccn1 72480126 LUNYUJRZFKTTSG-SFHVURJKSA-N 342.805 3.745 0 50 EHAA CC(C)c1nccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)n1 72140208 DQFSOXKCDNYHPG-UHFFFAOYSA-N 344.890 3.571 0 50 EHAA OCCCCCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71759262 FIRMLHCAAYYCLC-MRXNPFEDSA-N 332.271 3.919 0 50 EHAA Cc1cc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)c(Cl)cc1F 130270661 MDSHAMJIUYQDAP-UHFFFAOYSA-N 349.837 3.843 0 50 EHAA O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CCN2CCC[C@H]2C1 240225405 DHQBITVJZLAHDJ-NEPJUHHUSA-N 328.243 3.742 0 50 EHAA O=C(Nc1cc(Br)ccc1Br)C(F)(F)F 81562089 STNKFGYKLJCJOP-UHFFFAOYSA-N 346.928 3.712 0 50 EHAA CCn1c(SCc2ccc3c(c2)CCC3)nnc1-c1cnccn1 177823411 XVZAVRMSTFEZNV-UHFFFAOYSA-N 337.452 3.536 0 50 EHAA CC[C@H]1CN(C(=O)c2ccc(-c3ccccc3)n2C)CCN1C(C)C 95373216 FIWJOZGVRFROEM-SFHVURJKSA-N 339.483 3.637 0 50 EHAA Cc1cc([C@H]2CCCCN2C(=O)Nc2ccc3c(c2)CCC3=O)no1 95527105 XNIYFCSXGDWHSJ-QGZVFWFLSA-N 339.395 3.871 0 50 EHAA CCc1ccccc1OC1CN(C(=O)Nc2ccc(Cl)nc2C)C1 97572292 UOLXFEGZVCOJJX-UHFFFAOYSA-N 345.830 3.901 0 50 EHAA Cc1nc(N2CCC[C@H](OCc3cccnc3)C2)c2sccc2n1 95365723 VBIFFIUYMYUFDK-HNNXBMFYSA-N 340.452 3.580 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc2ccn(C)c2c1 181982862 JEKGQLYTSXTARD-INIZCTEOSA-N 337.427 3.887 0 50 EHAA C[C@@H]1CCCCN1CCC1CCN(C(=O)Nc2ccncc2F)CC1 184209981 MYSKOHQXYRQEOJ-OAHLLOKOSA-N 348.466 3.729 0 50 EHAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3cccc4cc(C)oc34)[C@H]2C1 299799364 FYIAJQYUGKUVRY-RIFZZMRRSA-N 343.423 3.540 0 50 EHAA CC(C)(C)SCCNC(=O)Nc1ccnn1Cc1ccccc1 299785499 SKSPPIYXELQQCX-UHFFFAOYSA-N 332.473 3.585 0 50 EHAA CC(C)c1nc(-c2cnc3ccccn3c2=O)n(C2CCCCC2)n1 584900751 MDIFKHQGBVVPMR-UHFFFAOYSA-N 337.427 3.582 0 50 EHAA Cc1ccc(-n2cccn2)c(CNCc2ccc3c(c2)nc(C)n3C)c1 952971406 DTDFYAVBHJFLBS-UHFFFAOYSA-N 345.450 3.666 0 50 EHAA CC(C)(C)Oc1cccc(CN2CCCC[C@H]([C@H]3CCOC3)C2)n1 1460919761 BSUCZPGMVOFDBI-IRXDYDNUSA-N 332.488 3.898 0 50 EHAA CCO[C@H]1C[C@@H](N(C)c2nn3cc(C(C)(C)C)nc3s2)C1(C)C 170637137 REPQAJKHSJLPQR-OLZOCXBDSA-N 336.505 3.728 0 50 EHAA Clc1ccc(Oc2nc(C3CC3)ncc2Br)cn1 408522450 JIDSOZNITFPZER-UHFFFAOYSA-N 326.581 3.957 0 50 EHAA CC(C)n1cc2ccc(NC(=O)CSC[C@@H]3CCCCO3)cc2n1 408513386 NREXRMSUXTZCPF-INIZCTEOSA-N 347.484 3.858 0 50 EHAA Cc1noc2ncc(C(=O)N3CCc4c(cccc4C(C)C)C3)cc12 190688926 QRTHNEWTTUZFHX-UHFFFAOYSA-N 335.407 3.853 0 50 EHAA COc1cc(OC)cc(N(C)Cc2noc(C3CCCCC3)n2)c1 191270901 BDSLWBPIDAGFLF-UHFFFAOYSA-N 331.416 3.771 0 50 EHAA CC(C)c1noc(CN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 192077256 HPGPYDITURIIHT-ZFWWWQNUSA-N 339.798 3.605 0 50 EHAA COCc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCc3cccnc32)o1 192672814 RKXSGOYJVUMMNZ-IRXDYDNUSA-N 340.423 3.605 0 50 EHAA C[C@H](CC(=O)N1CC[C@@H]([C@H]2CCCO2)C1)c1c[nH]c2ccccc12 894703889 IFJISBDIGOMXEL-SPYBWZPUSA-N 326.440 3.689 0 50 EHAA CCCn1nccc1NC(=O)c1ccc(-c2cccc(OC)c2)o1 1529139268 NXJNIQRVJLKIRF-UHFFFAOYSA-N 325.368 3.814 0 50 EHAA O[C@@H]1CCC[C@@]12CCCN(Cc1cccc(F)c1C(F)(F)F)C2 1704338490 CWWSBWOZNQMBEC-ZBFHGGJFSA-N 331.353 3.972 0 50 EHAA COc1ccc(-c2oc3c(ccc4nsnc43)c2CC(=O)O)cc1 1776111248 IMSJEVMFKQFEGZ-UHFFFAOYSA-N 340.360 3.740 0 50 EHAA CC(C)=CCN1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)CC1 12325322 TZSRZVWANUIYOJ-UHFFFAOYSA-N 340.389 3.706 0 50 EHAA Nc1nc(-c2ccc(Br)cc2)c(Br)s1 12336785 LBIVQPITFPHXFE-UHFFFAOYSA-N 334.036 3.917 0 50 EHAA Clc1ccc([C@H]2CN3C[C@@H](NC4CCCCC4)C[C@H]3CO2)cc1 1857736774 VEDKVGKQMXNHIR-GBESFXJTSA-N 334.891 3.777 0 50 EHAA Fc1cc(Cl)cc(Br)c1I 2512245 IKJUIUCZEXVZMB-UHFFFAOYSA-N 335.341 3.846 0 50 EHAA in-vitro O=C(c1snc(O)c1Cl)N1C[C@H](c2ccccc2)C2(CCC2)C1 333945653 TVBDYRYLAUECEV-GFCCVEGCSA-N 348.855 3.912 0 50 EHAA CC[C@@H](SC)C(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F 132022939 STCRRTRWIOVVFQ-CQSZACIVSA-N 339.411 3.598 0 50 EHAA C[C@H](Nc1ccc([C@H]2CCC(=O)N2)cc1)c1ccn(-c2ccccc2)n1 1875328708 IQAHNGPRHDOKBQ-MGPUTAFESA-N 346.434 3.997 0 50 EHAA Cc1cc(S(=O)(=O)N2CCCCCC2)c(C)cc1Br 28996 PWLCCNYRVLNZDB-UHFFFAOYSA-N 346.290 3.631 0 50 EHAA CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)c2ccccc12 4263125 MJMKMBYMJIHUSR-CQSZACIVSA-N 333.453 3.659 0 50 EHAA COc1ccc([C@H]2C[C@@H](NC(=O)[C@H](CC(C)C)n3ccnc3)C2)cc1 2325782869 LHKUQWCVEWJXFO-SCTDSRPQSA-N 341.455 3.541 0 50 EHAA CC(C)COCCOC(=O)c1ccncc1N[C@@H]1CCC(C)(C)C1 2325840194 SWOKRWOJJCRBDZ-OAHLLOKOSA-N 334.460 3.902 0 50 EHAA O=C(CSc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 303389 XPTVTCKLHWDFIK-UHFFFAOYSA-N 346.883 3.781 0 50 EHAA COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccccc1 360156 QFUOWZOXYYUTPI-GOSISDBHSA-N 327.424 3.543 0 50 EHAA O=C(Nc1cccnc1)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 614574 CRUALRMPHFCKNP-AWEZNQCLSA-N 336.178 3.520 0 50 EHAA Cc1cc(C(=O)NCc2cc(C)n(C)n2)sc1-c1ccccc1 1052313 ZEARHEKTDPWUDG-UHFFFAOYSA-N 325.437 3.695 0 50 EHAA Cc1ccccc1C(O)(C(=O)NCc1ccccc1)c1ccccc1C 4754543 WKKYEXSFALBPQN-UHFFFAOYSA-N 345.442 3.856 0 50 EHAA O=CNCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl 4809994 ISOKULRWUKGPBH-UHFFFAOYSA-N 348.233 3.680 0 50 EHAA COC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(Cl)cc2)c1 7792261 HIMWRTSGESOSOE-UHFFFAOYSA-N 338.190 3.961 0 50 EHAA Fc1ccc(C2(CN[C@H](Cn3cncn3)C3CC3)CCCCC2)cc1 225406545 FWQCXCGLISVGOD-LJQANCHMSA-N 342.462 3.688 0 50 EHAA COc1c(F)cc(CN(Cc2cnn(C)c2)CC(C)C)cc1Cl 55342080 CUFWBGLOJNMZTG-UHFFFAOYSA-N 339.842 3.879 0 50 EHAA c1cncc(CCc2nc(C3CC3)nn2-c2cccc3cccnc23)c1 65408901 DGFMDUOUGRISND-UHFFFAOYSA-N 341.418 3.873 0 50 EHAA Cc1ccc2nc(CN(C)Cc3[nH]nc4c3CCCCC4)[nH]c2c1C 67739724 BNHWTRGMNRCZTE-UHFFFAOYSA-N 337.471 3.804 0 50 EHAA Cc1nc(CCN)cc(NCc2csc3ccc(Cl)cc23)n1 67696671 LLGQRXGZXRKRNP-UHFFFAOYSA-N 332.860 3.766 0 50 EHAA COc1ccc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c2c1 4705491 TZKXQUHVSPBVAK-UHFFFAOYSA-N 347.827 3.956 0 50 EHAA CC[C@@H]1C[C@@H](CC(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CCO1 281133354 TXQWBPXTTOKHIF-YPHNTLSLSA-N 341.373 3.671 0 50 EHAA Cc1cccc(C2CC(N[C@H](c3nc(C)no3)C3CCOCC3)C2)c1 328628538 NUXYWNGMNCNLES-ACBHZAAOSA-N 341.455 3.690 0 50 EHAA Cc1cccc(NC(=O)c2sc3nnc(C)c(C)c3c2N)c1C 253393969 SJZLCPYJKLCBNN-UHFFFAOYSA-N 326.425 3.759 0 50 EHAA O=C(O)[C@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccccn2)C1 71752906 SXSBHNHYYJOJSY-IBGZPJMESA-N 344.842 3.645 0 50 EHAA COC[C@@H]1CCCCN1Cc1ccccc1OCCN1CCCCC1 215419881 AEIZJJNBOOMKON-FQEVSTJZSA-N 346.515 3.552 0 50 EHAA Clc1ccc2c(c1)CN(Cc1cnc(N3CCCC3)s1)CCO2 215297846 BSKZMEXZQKKRNN-UHFFFAOYSA-N 349.887 3.791 0 50 EHAA O=C(NC1CCCCC1)N1CCN(Cc2ccc(Cl)s2)CC1 13324728 AZTCNBQHVZSUJR-UHFFFAOYSA-N 341.908 3.561 0 50 EHAA Clc1ccccc1C1(c2ccnc(CC3CC3)n2)CCNCC1 72426811 BGWPTEULOYGHBD-UHFFFAOYSA-N 327.859 3.752 0 50 EHAA O=C(Cc1ccc(O)cc1Cl)Nc1ccc2c(c1)CCCC(=O)N2 132557760 FGILWAXHRLKMLO-UHFFFAOYSA-N 344.798 3.502 0 50 EHAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NC1CCC(C(=O)O)CC1 263065420 SMHJVKIGHMIBQV-SSDMNJCBSA-N 348.443 3.544 0 50 EHAA CN(Cc1cc(-c2ccccn2)no1)C(=O)c1ccc(Cl)s1 222652397 QGNGBFWZDDJEBR-UHFFFAOYSA-N 333.800 3.724 0 50 EHAA CCc1ocnc1C(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 82096317 HYCBECONTKBFNT-HNNXBMFYSA-N 328.412 3.570 0 50 EHAA CC[C@H](NC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1)c1ccncc1 177556655 MQCRGZYFIKOWSI-LSDHHAIUSA-N 343.431 3.586 0 50 EHAA O=C(CCCC(=O)c1ccccc1)N[C@H]1COC2(CCCCC2)C1 426535708 UISUCJWHHVCPMV-QGZVFWFLSA-N 329.440 3.648 0 50 EHAA Cc1cnc(C)c(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)n1 426388345 CAVIMMVZPCMLNH-UHFFFAOYSA-N 331.366 3.632 0 50 EHAA Cc1ccc(-c2cccc(CN3CCC4(CC3)COC(=O)O4)c2)o1 97294590 NVVQMXBKPQQMPY-UHFFFAOYSA-N 327.380 3.756 0 50 EHAA CN(Cc1ccc(CN2CCCC2)s1)Cc1cnc2ccccn12 97729597 WNMBBWXYJXXAER-UHFFFAOYSA-N 340.496 3.624 0 50 EHAA c1ccc([C@H]2OCC[C@@H]2c2nnc([C@H]3CSCCS3)o2)cc1 299743493 NVBNJAZBIHEZID-BFHYXJOUSA-N 334.466 3.836 0 50 EHAA C[C@H](NC(=O)N(C)Cc1cc(-c2cccs2)n[nH]1)C1CCCC1 534592768 SNYRQNMZXZIOEZ-LBPRGKRZSA-N 332.473 3.858 0 50 EHAA CCc1ncoc1C(=O)N[C@@H](C)c1ccc(F)c(Br)c1 1335934918 DGQJBNSTIBGEHE-QMMMGPOBSA-N 341.180 3.630 0 50 EHAA O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CCc2onc(-c3ccccc3F)c2C1 1565511813 WWOHQQARGHBLRW-GUTXKFCHSA-N 338.382 3.578 0 50 EHAA Cc1ccccc1-c1cccc(CNCCCN2CCC[C@H](O)C2)c1 952973768 VLYJNSQMBMTOLJ-NRFANRHFSA-N 338.495 3.598 0 50 EHAA CC(C)(C)c1cnc(CCC(=O)N2CCO[C@@H](c3cccs3)C2)o1 185850482 RGSNQHQFVKLHFE-CYBMUJFWSA-N 348.468 3.566 0 50 EHAA O=C(Nc1nc(-c2ccc[nH]2)cs1)c1noc2c1CCCCC2 189574939 GTJIWZYRRSMWOR-UHFFFAOYSA-N 328.397 3.647 0 50 EHAA CC(=O)c1cc(C(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)ccc1C 194318832 ODFUDGIELUAWGG-FZKQIMNGSA-N 343.448 3.861 0 50 EHAA CC(C)(CCN1CCC[C@H](c2nc3ccccc3o2)C1)CC(=O)O 652386699 FFXBXLADWWFDGK-AWEZNQCLSA-N 330.428 3.898 0 50 EHAA Cc1cc(N2CCN(C3CCCCC3)C(=O)C2)nc2cc(F)ccc12 1506424356 BXIHYZJCPFJFCC-UHFFFAOYSA-N 341.430 3.664 0 50 EHAA O[C@@H]1CCC[C@]12CCCN(C1CCN(c3ccccc3Cl)CC1)C2 1704299549 RIOUFTGBDDBXGA-WOJBJXKFSA-N 348.918 3.936 0 50 EHAA Cc1c(Cl)cccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C 5043304 HUCWVKNLBLIBTR-UHFFFAOYSA-N 344.777 3.929 0 50 EHAA COc1ccc(CC2(CO)CCN(C/C=C/c3ccco3)CC2)cc1 11996879 NVHWMZZWEODRFQ-DUXPYHPUSA-N 341.451 3.619 0 50 EHAA C/C=C(\C)CN1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 12297466 TVJZRFHGDMTJAR-VYFWZWAVSA-N 330.447 3.606 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2cccc(OC)c2OC)C[C@H](C(C)C)O1 1857713140 YTUXLXZJCFMBDU-CRAIPNDOSA-N 349.471 3.760 0 50 EHAA O=C(Cc1ccn[nH]1)Nc1ccc(NCc2ccccc2)c(Cl)c1 121553340 WUTGAZPNFYAQJL-UHFFFAOYSA-N 340.814 3.856 0 50 EHAA CN(CCc1ccc(Cl)cc1)C(=O)c1cc2ccccc2c(=O)o1 330032467 NMKQEMONDPZJSR-UHFFFAOYSA-N 341.794 3.761 0 50 EHAA CC1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 13519520 QHZGFTHHKPCZBX-UHFFFAOYSA-N 346.434 3.806 0 50 EHAA CC(C)(C)c1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)s1 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Cc1ccc(C[C@@H]2C(=O)N(c3ccc4ccccc4n3)C(=O)[C@H]2C)cc1 100593064 CMDBAZUQAJAMKH-YJBOKZPZSA-N 344.414 3.911 0 50 EHAA O=C(NCCc1c[nH]c2ccccc12)c1ccc([C@@H]2CCCN2)s1 20599627 BKTDEVURGZTCMC-INIZCTEOSA-N 339.464 3.626 0 50 EHAA CC(C)c1cc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)no1 55340798 TUIOWAZYKITCHJ-UHFFFAOYSA-N 328.391 3.959 0 50 EHAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(Cl)nc(Cl)c1 247854263 SRRKTONOLNDVNF-UPJWGTAASA-N 343.254 3.695 0 50 EHAA c1ccc(COc2cccc(CN3CC[C@@H]4OCCC[C@H]4C3)c2)nc1 110701906 AGLVPLDYYMJADS-RXVVDRJESA-N 338.451 3.662 0 50 EHAA Cc1ccc2[nH]cc(CN3CCC(N4C[C@H](C)O[C@H](C)C4)CC3)c2c1 67821195 NBQCKYVBFSGURM-CALCHBBNSA-N 341.499 3.550 0 50 EHAA OC[C@@]1(CCc2ccccc2)CCCN(C2Cc3ccccc3C2)C1 12471383 AKQPFJTXYNGMGO-HSZRJFAPSA-N 335.491 3.861 0 50 EHAA CC(C)N(Cc1ccco1)C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 364508125 SRFZQENCLPUXIC-INIZCTEOSA-N 344.459 3.535 0 50 EHAA CN(Cc1cccc(-n2cccn2)c1)C(=O)c1ccc(Cl)cc1O 77523756 SCORAXSSLNGCPL-UHFFFAOYSA-N 341.798 3.504 0 50 EHAA COc1cccc([C@@H]2CCCCN2Cc2[nH]cc(C)c(=O)c2C)c1 72130843 JKBRPPBKQWYFSL-IBGZPJMESA-N 326.440 3.728 0 50 EHAA Cc1ccc(CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1 13322749 YWGOEWUSZDISJS-UHFFFAOYSA-N 333.819 3.591 0 50 EHAA CCC(CC)n1ncc(C(=O)N[C@H]2COc3ccc(C)cc32)c1C 129802407 LRBJAKAIGOUOON-KRWDZBQOSA-N 327.428 3.725 0 50 EHAA O=C(CC1(C(=O)O)CCC1)N1CCC(c2c[nH]c3ccccc23)CC1 262563887 XFQZHVQUVXAYGT-UHFFFAOYSA-N 340.423 3.519 0 50 EHAA Cc1ccc(N2C(=O)[C@H]3CS[C@@H](c4cccs4)N3C2=O)cc1 20598175 NTKJIXNSCQKXIG-DOMZBBRYSA-N 330.434 3.639 0 50 EHAA O=C1N[C@@H](CC(=O)N(Cc2ccccc2)CC2CCC2)c2ccccc21 97528096 DXHJVWAWGCHICF-FQEVSTJZSA-N 348.446 3.690 0 50 EHAA CC[C@@]1(C(=O)O)CCCN(C(=O)c2cccc(-c3ccc(C)o3)c2)C1 91326994 NVMVJWNJXJQVKT-HXUWFJFHSA-N 341.407 3.972 0 50 EHAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CCc2n[nH]cc2C1 91289550 ZBUNZVFOPOTXAK-UHFFFAOYSA-N 327.771 3.522 0 50 EHAA Cc1[nH]c2ccc(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)cc2c1C 253535004 CKESOXJUHXOFCW-YLJYHZDGSA-N 339.483 3.779 0 50 EHAA NC[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1 299739294 MXJGRJGAJZTXTQ-GFCCVEGCSA-N 348.805 3.692 0 50 EHAA O=C(CCc1cccc2c1OCO2)N1CCC[C@@H]1Cc1ccccc1 184949167 XFPAWJMTYYRKDK-GOSISDBHSA-N 337.419 3.582 0 50 EHAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC[C@@H]1CCCOC1 534668903 ODQRDTDVXNRXPJ-ZDUSSCGKSA-N 344.377 3.664 0 50 EHAA CCCCc1ccc(C(=O)Nc2cccc(-n3nnnc3C)c2)cc1 642312797 GSIUUWRHSKKSFC-UHFFFAOYSA-N 335.411 3.566 0 50 EHAA CN(Cc1cnc(-c2cccc3ccccc23)nc1)CC1(CO)CCC1 828686017 WJLPPGWBCOAXDM-UHFFFAOYSA-N 347.462 3.891 0 50 EHAA CC(C)C[C@H](NC(=O)c1cccc(-c2cn[nH]c2)c1)c1cccnc1 670449185 AGUXKGAVYDHOBF-IBGZPJMESA-N 334.423 3.989 0 50 EHAA CN(Cc1ccc(F)cc1)C[C@H](O)COc1cccc2ccccc12 301313547 FAYZTWPIQRBHQU-IBGZPJMESA-N 339.410 3.851 0 50 EHAA COc1ccnc(N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)n1 170619648 XQVXAYLOOOYADT-MRXNPFEDSA-N 335.411 3.607 0 50 EHAA CSCc1cccc(CNC(=O)Nc2ccc([S@@](C)=O)cc2)c1 188324485 OXXBLQKPTXVDSL-HSZRJFAPSA-N 348.493 3.609 0 50 EHAA COc1cccc2c1CC[C@@H]2NC(=O)c1c[nH]nc1-c1ccsc1 188495556 VCPCRHIZNVDUTE-HNNXBMFYSA-N 339.420 3.564 0 50 EHAA Cc1csc([C@H](NC(=O)[C@H]2CCCc3c(O)cccc32)C2CC2)n1 190499241 HBMOBCGYXJIIMH-DOTOQJQBSA-N 342.464 3.845 0 50 EHAA CC(C)(F)CCNC(=O)c1ccccc1-c1ccccc1C(=O)O 659193487 URTDHDQCJDOSJZ-UHFFFAOYSA-N 329.371 3.920 0 50 EHAA COc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1C 583225 RGACGFLXNBLTHW-UHFFFAOYSA-N 325.817 3.766 0 50 EHAA CCOc1ccc([C@H](C)Nc2cc(C(=O)N3CCCC3)ccn2)cc1 1704348981 PLVFWFACIYJCAX-HNNXBMFYSA-N 339.439 3.889 0 50 EHAA Cc1[nH]ccc1C(=O)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12 1704299710 RAUGQPWMPGZKMK-UHFFFAOYSA-N 349.434 3.509 0 50 EHAA Cc1ccc(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 482454 ILGBHIUUVBEEGE-UHFFFAOYSA-N 334.375 3.595 0 50 EHAA CCCCC[C@@H]1C[C@@H](NCCCN(C)C)C=C(C)[C@@H]1C(=O)OCC 5163993 JRFXBJKUUCWENF-QYZOEREBSA-N 338.536 3.622 0 50 EHAA O=C(CCc1ccsc1)N1CCO[C@H](Cc2ccccc2Cl)C1 11873026 JZXHNVJYRNEYFD-MRXNPFEDSA-N 349.883 3.804 0 50 EHAA O=C(CCC1CCCC1)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 11874735 GZBHWOYYSAVULM-NRFANRHFSA-N 347.474 3.940 0 50 EHAA Cc1noc(C)c1C(=O)Nc1ccc(Br)cc1Cl 7748152 NHDPHFKNPHZEMM-UHFFFAOYSA-N 329.581 3.960 0 50 EHAA COc1cc(S(=O)(=O)Oc2ccc(C)cc2C)ccc1Cl 2836824 BFMQAJCXKNEEBV-UHFFFAOYSA-N 326.801 3.733 0 50 EHAA CCCCc1cc(=O)oc2c(C)c(OCC(=O)N(CC)CC)ccc12 2953246 AZHAQTADGIMHGY-UHFFFAOYSA-N 345.439 3.691 0 50 EHAA COc1cc(NC(=O)C[C@@H](C)c2ccccc2)cc(OC)c1OC 4814527 XGOMQQQORDHNIO-CYBMUJFWSA-N 329.396 3.845 0 50 EHAA CCOc1ccc(NC(=O)C(=S)N[C@H](C)c2ccccc2)cc1 4832442 PUCURPILSURQEB-CYBMUJFWSA-N 328.437 3.702 0 50 EHAA O=c1[nH]c(=S)[nH]c2nc(-c3ccccc3)c(-c3ccccc3)nc12 5729093 GSRTWXVBHGOUBU-UHFFFAOYSA-N 332.388 3.710 0 50 EHAA in-vitro C[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(F)c(O)c1 1857529362 IXXOJTFDEPVPSN-CQSZACIVSA-N 342.414 3.618 0 50 EHAA Cc1cncc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)c1 210079644 NSKAOMUCASLEPV-RTWAWAEBSA-N 346.430 3.534 0 50 EHAA Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@@H](C)CCO 127224028 YHPZHOADANOMBP-HNNXBMFYSA-N 348.446 3.640 0 50 EHAA CCc1ccc([C@@H]2CCCCN2C(=O)Cn2cc3ccccc3n2)o1 673965576 XGHMDXDTBDUNBH-SFHVURJKSA-N 337.423 3.946 0 50 EHAA Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CCC(c2ncco2)CC1 931446564 LZWAHKPREMHASC-CYBMUJFWSA-N 347.846 3.843 0 50 EHAA COCCCCC(=O)N=S1(=O)c2ccccc2Nc2ccccc21 952995314 IJFTZERHXJIKCQ-UHFFFAOYSA-N 344.436 3.973 0 50 EHAA Cc1cc(CN2CCC(C[C@@H](C)C(=O)O)CC2)c2c(n1)CCCC2 1875283219 JVUQHPIDOPCTMA-CQSZACIVSA-N 330.472 3.592 0 50 EHAA O=C(Nc1ccccc1)Nc1cccc(OC[C@@H]2C[N@@]2CC2CC2)c1 1875385658 YFFOBFLPRNTFHV-FDDCHVKYSA-N 337.423 3.804 0 50 EHAA CC(C)n1ncc2c1C[C@H](N[C@H](c1ccccc1)C1(O)CCC1)CC2 1875369163 WYPARHPXVSGNSF-UYAOXDASSA-N 339.483 3.567 0 50 EHAA COC1(OC)CC2(CN(C(=O)Nc3cc(C)ccc3C)[C@@H]2C(C)C)C1 877871950 YOBMXSCWJXHVMD-QGZVFWFLSA-N 346.471 3.945 0 50 EHAA Cc1ncoc1CNC(=O)N1CCC(C)(C)[C@@H](c2ccccc2)C1 896152152 ZVSKCNGCGGCVCF-MRXNPFEDSA-N 327.428 3.708 0 50 EHAA Cc1ccc(N2C(=O)[C@@H]3CS[C@@H](c4cccs4)N3C2=O)cc1 4727151 NTKJIXNSCQKXIG-WFASDCNBSA-N 330.434 3.639 0 50 EHAA CCCCc1oc2ccccc2c1C(=O)NCCCC(=O)NC1CC1 2325722645 IXMHDHCIDNTKTQ-UHFFFAOYSA-N 342.439 3.564 0 50 EHAA Cc1ncc(CNCC2=Cc3ccccc3OC2)n1-c1ccccc1 2325725579 UHTNZUQYSSRWSS-UHFFFAOYSA-N 331.419 3.746 0 50 EHAA CC1(C)CC[C@]2(CCN2C(=O)C2(C)CCN(CC(F)(F)F)CC2)C1 2325794781 RCCJHEHHDQTRKA-KRWDZBQOSA-N 346.437 3.832 0 50 EHAA NC1(c2noc(-c3cc4ccc(OC(F)F)cc4[nH]3)n2)CCCC1 2325806818 IFNWFPSXDLIARN-UHFFFAOYSA-N 334.326 3.547 0 50 EHAA COc1cncc(COC(=O)CCc2ccc(F)c3c2CCCC3)c1 2325855684 LAABXASLTVPKFS-UHFFFAOYSA-N 343.398 3.784 0 50 EHAA C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc3ccccc3n2)C1=O 229714 CCHODWZWDSSKRR-WMLDXEAASA-N 330.387 3.918 0 50 EHAA O=C(c1c(F)cccc1F)N1CCN([C@@H]2C=CCCCCC2)CC1 225846932 CZONSTQCJFWDIU-OAHLLOKOSA-N 334.410 3.612 0 50 EHAA O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccs1 9141395 SEICSICRCMROBM-UHFFFAOYSA-N 338.367 3.873 0 50 EHAA COc1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1OC 55543983 VXQMCLLKAZJSHK-UHFFFAOYSA-N 346.858 3.679 0 50 EHAA Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccc(F)c(C)c2)C3)[nH]n1 102773570 UFOOBMGRRBIJKH-MUJYYYPQSA-N 327.403 3.716 0 50 EHAA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2ccc3ccccc3c2)C1 100503903 UHROSGYVTDZXJZ-PXNSSMCTSA-N 330.431 3.621 0 50 EHAA COCCCN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 67755034 ROZHXDFMJBASRX-UHFFFAOYSA-N 333.453 3.660 0 50 EHAA c1cc2c(cc1CN1CCN3CCC[C@H]3[C@@H]1C1CCCCC1)OCO2 22078095 KHJGVIHWNXKXPN-RXVVDRJESA-N 342.483 3.644 0 50 EHAA Cc1nc(CN(C)Cc2cnc(-c3cccc4ccccc34)nc2)no1 67447167 GGFQUBLRJKPXQI-UHFFFAOYSA-N 345.406 3.620 0 50 EHAA CC(C)c1ccc(OCCNC(=O)c2c(F)ccc(O)c2F)cc1 252485936 HFKFVQMAKCGRQX-UHFFFAOYSA-N 335.350 3.603 0 50 EHAA CC(C)C/C=C(\CN1CCn2nc(C(=O)O)cc2C1)c1ccccc1 65490872 DJXSEODFLYTSQO-RQZCQDPDSA-N 339.439 3.527 0 50 EHAA COC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(F)cc1 2763301 QPNKFOFVBLSIBU-UHFFFAOYSA-N 333.384 3.998 0 50 EHAA Fc1ccc(-c2cc(NCc3cc(C4CC4)[nH]n3)n3nccc3n2)cc1 72422819 OQNHJJWXPFAAGR-UHFFFAOYSA-N 348.385 3.748 0 50 EHAA CCc1noc([C@H](C)N(C)C[C@H]2CCN(Cc3ccc(C)s3)C2)n1 328593556 IHIJGEMPXNATMJ-LSDHHAIUSA-N 348.516 3.517 0 50 EHAA COc1ccc(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 4577955 SSEATBRBDSYAJJ-UHFFFAOYSA-N 349.496 3.580 0 50 EHAA CC[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ncc(C)[nH]1 215686457 GDFJKBPKCITNPY-CYBMUJFWSA-N 325.334 3.547 0 50 EHAA COc1ccc(C2=NO[C@@H](C(=O)Nc3ccccc3SC)C2)cc1 5029005 SZQRQVPWVLHJOI-MRXNPFEDSA-N 342.420 3.549 0 50 EHAA Cc1nn(-c2ccccc2)cc1CN1CCCC[C@H]1CCn1cccn1 77303156 NUJHLHXPXACRET-FQEVSTJZSA-N 349.482 3.822 0 50 EHAA Cc1nc(NC(=O)[C@@H]2CCCNC2)sc1Cc1ccccc1Cl 154645263 ITLHFAJNPRNULT-CYBMUJFWSA-N 349.887 3.634 0 50 EHAA FC(F)(F)c1ccc(Cn2nccc2NCC2=CCCOC2)cc1 126987811 RKDLERUCOZJBNB-UHFFFAOYSA-N 337.345 3.709 0 50 EHAA CC[C@H](Nc1ncnc2c1ncn2CC)c1ncc(-c2ccccc2)[nH]1 368429665 PNRNYQUHMYMDLG-AWEZNQCLSA-N 347.426 3.800 0 50 EHAA Cc1c(Cl)c(CN2[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)nc2ccccc12 261786724 SPKHJMMTDJNLME-RBOXIYTFSA-N 330.815 3.634 0 50 EHAA CN(Cc1noc(C2CCC2)n1)C(=O)CCCc1ccc(Cl)cc1 77408326 CEJDGNBYXWBJEY-UHFFFAOYSA-N 347.846 3.972 0 50 EHAA CN(Cc1cccc2ncccc12)C(=O)c1ccc(-c2cc[nH]n2)cc1 72458992 STCNPWBGGGRWPE-UHFFFAOYSA-N 342.402 3.897 0 50 EHAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@@H]1C[C@H]1c1ccccc1 72419859 HBHIVEGZOITWKE-VQTJNVASSA-N 331.419 3.634 0 50 EHAA c1cc(NCc2cnoc2-c2ccco2)cc(-c2nnnn2C2CC2)c1 338204361 IYDPWBZLBVRDIC-UHFFFAOYSA-N 348.366 3.535 0 50 EHAA O[C@@H]1c2ccc(-c3cc(F)cc(F)c3)cc2OC[C@H]1N1CCCC1 426465411 FBIPULWQBROTFG-IEBWSBKVSA-N 331.362 3.522 0 50 EHAA C[C@@H](c1ccncn1)N(C)C(=O)c1ccccc1OCc1ccccc1 223040187 VPOVSRLOMYSASF-INIZCTEOSA-N 347.418 3.889 0 50 EHAA O=C1CCCCc2cc(C(=O)N3CCCC[C@H]3c3cc[nH]n3)ccc21 291047310 ZOJOSPJTSURWRY-SFHVURJKSA-N 337.423 3.686 0 50 EHAA CCc1ncc(C(=O)NCC[C@@H](c2ccccc2)c2ccco2)cn1 97805740 CRZZGDYJQINTNG-KRWDZBQOSA-N 335.407 3.584 0 50 EHAA CO[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(O)c(Cl)c3)cc2)C1 426535956 VLROQLIKGXBCHS-MRXNPFEDSA-N 345.826 3.964 0 50 EHAA Cc1ccc(F)cc1-c1cccc(C(=O)N2CCCC[C@H]2CN)c1 426705920 WCWILVNDGYXNFC-SFHVURJKSA-N 326.415 3.755 0 50 EHAA CN(C)C(=O)c1cccc(-c2ccc(OCCN3CCCC3)cc2)c1 96165993 DWLZRPSIWWIPLZ-UHFFFAOYSA-N 338.451 3.530 0 50 EHAA COc1ccc(C2(C(=O)N3CCCC[C@H]3c3cc(C)on3)CC2)cc1 252505402 VQYUONSWZXPLKY-SFHVURJKSA-N 340.423 3.777 0 50 EHAA CCc1ccc(-c2nc(CN3CCCC[C@@]3(C)C(N)=O)cs2)cc1 185885390 NWPGNMQZNYGDSM-IBGZPJMESA-N 343.496 3.602 0 50 EHAA C[C@H](N[C@H]1CCCC[C@H]1C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 170616901 GVTNLEHKSHDTKK-KEYYUXOJSA-N 326.444 3.572 0 50 EHAA CC(C)c1nc(/C=C/c2c(Cl)nc(Cl)n2C)ncc1C(=O)O 170635760 DLCRUMAXZAWLCN-SNAWJCMRSA-N 341.198 3.509 0 50 EHAA CCc1onc(C)c1C(=O)Nc1nc(-c2sc(C)nc2C)cs1 192562080 TWQYRUPIGIEHER-UHFFFAOYSA-N 348.453 3.995 0 50 EHAA COCCn1cnnc1[C@@H](C)Nc1cc(C)c2cc(Cl)ccc2n1 1506418571 RNFPAIICXGYNHK-GFCCVEGCSA-N 345.834 3.608 0 50 EHAA O=C(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cccc(F)c1 11842873 WQACHWKSUMPYMH-SFHVURJKSA-N 346.833 3.874 0 50 EHAA COCCN(Cc1nc(-c2cccc(OC)c2OC)oc1C)C(C)C 12430120 CMZHKHWKLAYYGB-UHFFFAOYSA-N 348.443 3.524 0 50 EHAA CN(CCC1CCOCC1)Cc1nc(-c2cccc(Cl)c2)no1 15077700 PEEZPWFSXNEPOB-UHFFFAOYSA-N 335.835 3.639 0 50 EHAA C[C@H](O)CNCCCOc1ccc(C(C)(C)c2ccccc2)cc1 2881689 CDPJFWMMHCZUGY-KRWDZBQOSA-N 327.468 3.752 0 50 EHAA Cc1ccsc1/C=C1\SC(=N)N(c2ccc3c(c2)OCO3)C1=O 3903046 VHCFFBUTHNGIDU-PFSXCPJRSA-N 344.417 3.841 0 50 EHAA O=c1[nH]c2c(s1)[C@H]1c3c(ccc4ccccc34)OC[C@H]1CS2 2484969 MCQQCBMARNECTO-GXFFZTMASA-N 327.430 3.836 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C 4857540 PEEKFADMKDIYTJ-UHFFFAOYSA-N 325.817 3.848 0 50 EHAA COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1OC 6699226 ACYAEMAKHIMZOH-HUUCEWRRSA-N 343.423 3.657 0 50 EHAA O=C1OC(c2ccccc2F)=N/C1=C\c1cccc(Br)c1 4588848 WFDNXRWPNPNILR-ZROIWOOFSA-N 346.155 3.933 0 50 EHAA COc1ccc2ccc(OC)c(-c3nccn3[C@@H]3CCN(C)C3)c2c1 1857729396 YTQBGPDYJJHDMX-OAHLLOKOSA-N 337.423 3.597 0 50 EHAA C[C@H](NC(=O)c1ccoc1)c1nc(-c2cccc(Cl)c2F)no1 225605210 LPWDHAFSLVVWPN-QMMMGPOBSA-N 335.722 3.613 0 50 EHAA Clc1ccc([C@@H]2CN(Cc3ccc4cn[nH]c4c3)CCO2)cc1 155236970 HRHLFVDZXDKVGC-SFHVURJKSA-N 327.815 3.790 0 50 EHAA Cc1ncc2c(n1)[C@@]1(CCCN(CCCC(=O)c3ccccc3)C1)CC2 1704304424 RFQKJQPVTXOMDA-QFIPXVFZSA-N 349.478 3.728 0 50 EHAA Cc1cc(=NC(=O)N[C@H](c2ccccn2)C2CC2)c2ccccc2[nH]1 930614991 PBYBQRYUEQWTJC-IBGZPJMESA-N 332.407 3.633 0 50 EHAA Cc1cc(C)cc(-n2nnnc2Sc2nc3cc(F)ccc3o2)c1 1875258488 UYXXMAMRTCZNRM-UHFFFAOYSA-N 341.371 3.711 0 50 EHAA Cc1cc(CNC(=O)c2cccc(C3CC(F)(F)C3)c2)ccc1CO 1875318939 MVDZXIRDRAHYMA-UHFFFAOYSA-N 345.389 3.930 0 50 EHAA CC(C)[C@H](NC(=O)c1c(Cl)oc2ccccc12)c1cnn(C)c1 885417162 LUKGRLHTVBBEIY-HNNXBMFYSA-N 331.803 3.947 0 50 EHAA Cc1cc(CNc2cccc([C@H]3CCC(=O)N3)c2)c2c(n1)CCCC2 894922822 SBVRAPZSJMNDTD-LJQANCHMSA-N 335.451 3.832 0 50 EHAA O[C@@]1(c2ccccc2F)CCN([C@H]2CCc3c(F)cc(F)cc32)C1 2325828024 WSDDWEDCVDHYST-OALUTQOASA-N 333.353 3.685 0 50 EHAA COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2ccccc2)cc1 73827 HCZSCWNGOZYQCL-SFHVURJKSA-N 325.408 3.671 0 50 EHAA Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccn2)c1 127339 CLGYNUPTZLYARB-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA COc1cccc(NC(=S)NCCc2c[nH]c3ccccc23)c1 315322 KFWWJDPDZOYRPU-UHFFFAOYSA-N 325.437 3.706 0 50 EHAA O=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O 474580 DZDKMAYGXIAYMZ-UHFFFAOYSA-N 343.338 3.852 0 50 EHAA COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 476119 VDWNCNSYBGNAGV-CYBMUJFWSA-N 333.815 3.741 0 50 EHAA O=C(CSc1ccccc1C(=O)O)Nc1ccnc2ccccc12 1069406 OPXPCAFVHUYDJM-UHFFFAOYSA-N 338.388 3.664 0 50 EHAA CCOC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 2774840 UVQSZHQDXPVLBG-GXSJLCMTSA-N 345.346 3.782 0 50 EHAA FC(F)(F)c1nsc(N2CC(c3nc4ccccc4s3)C2)n1 342561047 GXKSQGFHLDMSTF-UHFFFAOYSA-N 342.371 3.770 0 50 EHAA COc1cccc2c(NC(=O)c3ccc(Cl)nc3)c(C)cnc12 225696804 XKGUNPVWVTUIDU-UHFFFAOYSA-N 327.771 3.853 0 50 EHAA CCc1ccc([C@H]2CCCCN2C(=O)[C@H]2CCCc3[nH]ncc32)o1 134401748 DMYSUDMJMMQHMP-WMLDXEAASA-N 327.428 3.739 0 50 EHAA COc1ccc(-c2cc(F)cc3c2O[C@H](CN)C3)cc1C(F)(F)F 67714528 XCCQFCAXLRADMH-LBPRGKRZSA-N 341.304 3.782 0 50 EHAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1cnc2ccccc2c1 67872379 UUQYCULSGJYXFB-UHFFFAOYSA-N 336.395 3.548 0 50 EHAA CC[C@@H](Nc1nc(CCN)nc2sc(C)c(C)c12)c1cccnc1 65381892 IIMLUEPQXFAAQH-CQSZACIVSA-N 341.484 3.768 0 50 EHAA CCCCn1nc(C)c2c1NC(=O)C[C@H]2c1cc2ccccc2n1C 65382656 CDCFYLMFAMIVNC-HNNXBMFYSA-N 336.439 3.957 0 50 EHAA Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(-n3cccc3)c2)cc1 2790067 JNQZVMNGQKFASR-INIZCTEOSA-N 340.448 3.825 0 50 EHAA CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1)CC(=O)N2 4986654 PLQCGOZZRIBLNR-HNNXBMFYSA-N 341.407 3.967 0 50 EHAA CC[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc(OC(F)F)cc1 152542051 DHQPVAZKCFUQHF-SNVBAGLBSA-N 328.750 3.877 0 50 EHAA Cc1nc2c(s1)CCC[C@@H]2CN(C)c1nnc(-c2ccon2)s1 367818477 OWNSQCOTMBFNSK-SNVBAGLBSA-N 347.469 3.514 0 50 EHAA c1coc(-c2cc(Cn3ccnc3-c3ccc(-c4cc[nH]n4)o3)no2)c1 77426787 SNNNBHGJEYLGQK-UHFFFAOYSA-N 347.334 3.830 0 50 EHAA CN(C)Cc1csc(CN2CCC(Oc3cccc(F)c3)CC2)c1 215450138 QEICIBBGRRIRDO-UHFFFAOYSA-N 348.487 3.992 0 50 EHAA CC(C)N(C)CCC(=O)N1CCC[C@@H](CCc2ccccc2F)C1 71721543 UGSNNBONQVEZGJ-KRWDZBQOSA-N 334.479 3.727 0 50 EHAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)CSc1ccccc1 82156358 DURWYPUEAPXICE-KRWDZBQOSA-N 340.492 3.764 0 50 EHAA COc1cccc([C@@H]2CCN2C(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1 91504301 VGFRCQGPUXDOSI-KRWDZBQOSA-N 337.379 3.574 0 50 EHAA CCCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1C 230515804 KWTPDLQLUWFALD-UHFFFAOYSA-N 333.453 3.571 0 50 EHAA Cc1cc(Cl)ccc1C(=O)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95372781 XNHKFGGOGVNZFR-SJLPKXTDSA-N 346.902 3.985 0 50 EHAA CC(C)N1CCC(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)CC1 95382593 DPWTZEQUOFDANW-UHFFFAOYSA-N 333.863 3.558 0 50 EHAA CC(C)C[C@H](C(=O)N(C)C[C@@H]1CCCN2CCCC[C@H]12)n1cccc1 253409677 MFDNVVHRBFBNBY-XUVXKRRUSA-N 345.531 3.798 0 50 EHAA biogenic CC(C)(C)c1oc(C(N)=O)cc1CN1CC[C@@H]1c1ccc(F)cc1 252480635 CBRAMZCZJQHCSU-OAHLLOKOSA-N 330.403 3.762 0 50 EHAA O=C(CCc1cccnc1)Nc1ccc(OC[C@H]2CCCCO2)cc1 828057226 XPNRFSRVKZSAKB-LJQANCHMSA-N 340.423 3.601 0 50 EHAA O=C(Nc1ccccc1CN1CCCCC1)c1ccc2c(c1)CCO2 828169503 YWICGMBUSYNVEJ-UHFFFAOYSA-N 336.435 3.860 0 50 EHAA Cc1ccc(-c2ccc(CN3CCN(C(=O)C4CCC4)CC3)cc2)o1 670464136 QEQLTODMBFMOMP-UHFFFAOYSA-N 338.451 3.699 0 50 EHAA O=C(Cc1ccc(C2CCC2)cc1)Nc1cc([C@@H]2CCCOC2)[nH]n1 1349789106 MDBQDPRAAKMYRD-QGZVFWFLSA-N 339.439 3.752 0 50 EHAA CCN(Cc1cnn(CC)c1)Cc1cc2ccc(Cl)cc2nc1O 952982290 GGFHQWXQSAAZLE-UHFFFAOYSA-N 344.846 3.832 0 50 EHAA C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 269944520 UONVWHJJCQEHCB-MWLCHTKSSA-N 335.753 3.734 0 50 EHAA Cc1cnccc1CC(=O)NC(c1cccs1)c1cccs1 185697962 AWAFDQLJKPGWMG-UHFFFAOYSA-N 328.462 3.961 0 50 EHAA CN(Cc1cccnc1)C[C@H]1CCN(Cc2cccc3cc[nH]c23)C1 275582901 HLDDFDFWMLHARY-GOSISDBHSA-N 334.467 3.517 0 50 EHAA Cn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc(C(C)(C)C)s1 275632425 SLGCDWGIIWSAOD-SUMWQHHRSA-N 333.501 3.647 0 50 EHAA Cc1ccc2nc(CSCC(=O)NC3CCC(C)(C)CC3)cn2c1 170639031 NPYHGVVSVHUXQD-UHFFFAOYSA-N 345.512 3.961 0 50 EHAA CCO[C@@H]1C[C@@H](N(C)C(=O)c2nc(-c3ccco3)sc2C)C1(C)C 170636714 VHMHGOXEPNYQFG-ZIAGYGMSSA-N 348.468 3.987 0 50 EHAA Cc1nc(C[C@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)no1 171241725 BPYOWFUWTQQQBY-CYBMUJFWSA-N 341.436 3.688 0 50 EHAA Cc1nc2cc(CNCc3cnc(-c4cccs4)nc3)ccc2n1C 1506405659 DIOIYOWURFGISA-UHFFFAOYSA-N 349.463 3.690 0 50 EHAA CSc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 199318 HAHXYKZAPNNUSE-MHWRWJLKSA-N 342.395 3.641 0 50 EHAA O=C(NCc1cccc2[nH]ccc12)[C@@H]1CC(CCc2ccccc2)=NO1 12150492 JKYJWXAZDTZJCR-FQEVSTJZSA-N 347.418 3.562 0 50 EHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C(C)C)C1 12208337 KAVCUINNWJFGAH-GOSISDBHSA-N 325.399 3.561 0 50 EHAA CCCc1c(C(=O)NC2CCCC2)nnn1-c1ccc(Cl)cc1 12274055 CYTGEUUXPCYIPP-UHFFFAOYSA-N 332.835 3.546 0 50 EHAA Oc1ccccc1C(=S)N1CCN(c2cccc(Cl)c2)CC1 15962383 PUWMLRCVOXXELS-UHFFFAOYSA-N 332.856 3.543 0 50 EHAA CCN(CC)C(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1Cl 2982934 JAZFMJFOUKQPHW-VBKFSLOCSA-N 346.814 3.572 0 50 EHAA Cc1cccc(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 6698574 DZBMMRVUXHYMQJ-UHFFFAOYSA-N 336.435 3.802 0 50 EHAA COC(=O)c1ccc(C)c(NC(=O)Cc2c(F)cccc2Cl)c1 6235838 KYVLMATWYLHSIM-UHFFFAOYSA-N 335.762 3.755 0 50 EHAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccc(F)c1 5484045 GRVLZAGDWHCDHX-UHFFFAOYSA-N 339.370 3.846 0 50 EHAA COc1ccncc1NC(=O)c1nc(-c2cccc(Cl)c2)[nH]c1C 122702596 CYYDMZYUGCMHCH-UHFFFAOYSA-N 342.786 3.694 0 50 EHAA COc1cccc(CN2CC[C@](C)(O)[C@H](Cc3ccccc3)C2)c1F 247944908 YQSUGAPSGQZTDZ-NQIIRXRSSA-N 343.442 3.650 0 50 EHAA CCOc1cc(C(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)ccc1C 133811608 SQHHCPPKHSMKMI-INIZCTEOSA-N 327.428 3.711 0 50 EHAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1cnc(O)c2ccccc12 924808499 CNPNGVQRCBRKLT-GLJUWKHASA-N 339.439 3.803 0 50 EHAA Cc1ccc(F)c2oc(C(=O)N3CCC[C@H](c4ncc[nH]4)C3)cc12 931772596 MDOUHAWREBCHLM-LBPRGKRZSA-N 327.359 3.623 0 50 EHAA CC(C)c1cncc(NS(=O)(=O)c2ccccc2C(F)F)c1 1875279898 KSFZYVWNRXHIIO-UHFFFAOYSA-N 326.368 3.943 0 50 EHAA CO[C@H]1C[C@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1(C)C 1875298952 TVPBWFCUNDFLCB-DOMZBBRYSA-N 347.846 3.521 0 50 EHAA CC(C)c1ccc(C(C)(C)NC(=O)NC[C@@H]2COC(C)(C)CO2)cc1 1875353798 GLCKQHBITQOPKV-QGZVFWFLSA-N 348.487 3.538 0 50 EHAA Cc1cc([C@H](C)NC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)oc1C 886094659 BSIWRYKSUFMYEG-MOFZMDFASA-N 331.460 3.675 0 50 EHAA Cc1cccc2c1CCN(Cc1nc(C3CC3)cs1)[C@H]2C(=O)O 1777459307 JBXYRNUZLJSLCN-QGZVFWFLSA-N 328.437 3.513 0 50 EHAA CC(C)c1nc([C@H]2CCCCCN2C(=O)[C@H](C)C[C@H]2CCCO2)no1 2325757294 QXAIYUHBVQSDHM-BZUAXINKSA-N 349.475 3.842 0 50 EHAA Cc1ccc(C)c(OCCOC(=O)c2cc(-c3cccs3)[nH]n2)c1 2325862711 FHHSAZBDKHRKLD-UHFFFAOYSA-N 342.420 3.991 0 50 EHAA CC(=O)N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 40293 MTBUATBIDKRIOJ-SECBINFHSA-N 349.567 3.950 0 50 EHAA Cc1sc2ncn(C)c(=O)c2c1-c1ccc(Br)cc1 148875 NIISKWDXHQJUJN-UHFFFAOYSA-N 335.226 3.733 0 50 EHAA Cc1noc(-c2ccccc2C(=O)N[C@H](C)c2ccc(F)cc2F)n1 342059761 VLVLSKONUUOEQM-SNVBAGLBSA-N 343.333 3.814 0 50 EHAA CC[C@]1(C)C[C@](CC(=O)O[C@@H](C)CN(C)C)(c2ccccc2)CCO1 4696774 BQVOKFAZPLBWCA-WMQCIHAUSA-N 347.499 3.787 0 50 EHAA Cc1ccc(Cl)cc1-n1nnc(C(=O)Nc2ccccc2)c1C 8021606 YSHKXRBDFDZZMC-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA CC(C)n1ccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)n1 280601018 WSTCLYRTHZCIQR-SJORKVTESA-N 342.443 3.584 0 50 EHAA CCn1cc([C@H]2CC(=O)N(c3ccccc3OC)C2=O)c2ccccc21 100769992 KURSRMKVOHXFCB-OAHLLOKOSA-N 348.402 3.717 0 50 EHAA biogenic Cc1cc(NCc2ccccc2-n2ccnc2)nc(-c2cccnc2)n1 65393580 XNXABIWYQPAKJI-UHFFFAOYSA-N 342.406 3.645 0 50 EHAA Cc1ccc(N2CCCC2)c(C(=O)NCc2cccc(N(C)C)c2)c1 116741372 FSZITALXAYXPBL-UHFFFAOYSA-N 337.467 3.591 0 50 EHAA CC[C@H](CO)N(Cc1ccsc1)Cc1cccn1-c1nccs1 55107413 RQNWYMYYKSXMSZ-OAHLLOKOSA-N 347.509 3.768 0 50 EHAA Cc1[nH]c([C@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccccc1F 23311992 MWRIEMLYXXUQRK-ZDUSSCGKSA-N 327.403 3.783 0 50 EHAA CCN(CC)CCNc1ccc(-c2ccc(Br)cc2)nn1 20735163 JOTRMVIEQFTNFY-UHFFFAOYSA-N 349.276 3.660 0 50 EHAA O=C(N[C@H](CCO)Cc1ccccc1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 253430726 XOJMHLAIXANECN-VNTMZGSJSA-N 329.484 3.703 0 50 EHAA COC(=O)C[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 253428007 OOUFEHCUQSZZLY-CYBMUJFWSA-N 345.361 3.750 0 50 EHAA CN(Cc1cnn(-c2ccccc2)c1)Cc1ccnn1-c1ccccc1 72172768 MWTOYISHBVEPHI-UHFFFAOYSA-N 343.434 3.690 0 50 EHAA COc1cc(CN2CCC(OCc3ccccc3)CC2)ccc1O 72166553 NYSOONNLYFSWKQ-UHFFFAOYSA-N 327.424 3.582 0 50 EHAA CCOc1cc(CN2CCO[C@@H](C(F)(F)F)C2)ccc1OC(C)C 71753871 NIJIXEVVHVVMAZ-MRXNPFEDSA-N 347.377 3.636 0 50 EHAA Cn1cc(CCC(=O)N(Cc2ccsc2)C2CCCCC2)cn1 214971617 UWAIJATUZBTBIA-UHFFFAOYSA-N 331.485 3.776 0 50 EHAA COCCC[C@@H]1CCCCN1Cc1cnc(-c2cccs2)nc1 77485418 GYYDNINQRLIZSV-INIZCTEOSA-N 331.485 3.986 0 50 EHAA CC[C@@H]1C[C@@H](CC(=O)NCCc2c[nH]c3ccc(F)cc23)CCO1 358972840 HCFGKPKOYFHGCZ-XJKSGUPXSA-N 332.419 3.561 0 50 EHAA CC(=O)N1c2ccc(N(C)C)cc2Sc2cc(N(C)C)ccc21 71769429 JEOGFTYLESYHAM-UHFFFAOYSA-N 327.453 3.968 0 50 EHAA O=C(Nc1ccc2oc(C(=O)O)cc2c1)c1ccn(C2CCCC2)n1 262741579 JIOJULYNOBCOQC-UHFFFAOYSA-N 339.351 3.695 0 50 EHAA Cc1nn(C)c2sc(C(=O)N3C[C@H](C)Oc4cc(F)ccc43)cc12 173517892 UUILNUATKAJUAY-VIFPVBQESA-N 345.399 3.510 0 50 EHAA CC[C@@H]1CN(Cc2cccs2)CCC(=O)N1Cc1ccccc1 71752102 KUGMJJSTCGCYKW-QGZVFWFLSA-N 328.481 3.761 0 50 EHAA O=C(Nc1ccc(-c2cnco2)cc1)[C@@H]1CCN(C2CCCCC2)C1 176053702 ICYHUAMNBTUXFL-MRXNPFEDSA-N 339.439 3.935 0 50 EHAA C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cc(C(=O)O)ccn1 263378933 CAQBAXHNUJTCSE-NWDGAFQWSA-N 346.814 3.697 0 50 EHAA O=C(NCc1ccccc1Cl)[C@@H]1CCCN1C(=O)C1CCCCC1 47343669 INQFMRXSIGPNGX-KRWDZBQOSA-N 348.874 3.528 0 50 EHAA CCCCCc1ccc(-c2nc(N)c3cnn(C)c3n2)c(F)c1F 426490119 DHLBJKDVPZRFQE-UHFFFAOYSA-N 331.370 3.623 0 50 EHAA O=C(NC1CCCCCC1)N(CCCO)Cc1ccccc1Cl 426404186 GSRJKZZTDGLXOV-UHFFFAOYSA-N 338.879 3.957 0 50 EHAA COCc1ncc(C(=O)N[C@H]2CCCc3sc(Cl)cc32)s1 292196831 XFOJSBXQNOWLCW-VIFPVBQESA-N 342.873 3.812 0 50 EHAA O=C(Nc1cccc2ncccc12)N1CCN(C2CCCCC2)CC1 95524121 AZZKMQRWXGMLDO-UHFFFAOYSA-N 338.455 3.717 0 50 EHAA CC[C@]1(C(=O)O)CCCN(C(=O)c2c(F)ccc(C)c2Cl)C1 91548708 FBJDNVWUNVZBGE-INIZCTEOSA-N 327.783 3.505 0 50 EHAA CN(Cc1ccccc1C(F)(F)F)C(=O)c1cccc2nccnc12 97730241 IGHFSMSXYMHXDF-UHFFFAOYSA-N 345.324 3.921 0 50 EHAA Cc1cc2n(n1)CCCN(C(=O)[C@H](C)Oc1ccc3ccccc3c1)C2 91974250 UVXIXBTWMVCNDL-INIZCTEOSA-N 349.434 3.545 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)NCc3ccc(C(=O)O)s3)c2c1 95519443 WDTZUVQSHZXOJT-UHFFFAOYSA-N 340.404 3.541 0 50 EHAA C[C@H](NC(=O)N(C)CCc1nc2ccccc2[nH]1)C1=CCCCC1 534647211 RSOKRLIZGPUTSP-AWEZNQCLSA-N 326.444 3.636 0 50 EHAA COCC1(CNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)CCC1 669665329 PWMXGVCZHWGJON-UHFFFAOYSA-N 344.377 3.664 0 50 EHAA CCO[C@H]1C[C@@H](N(C)C(=O)c2nc(-c3ccco3)sc2C)C1(C)C 170636716 VHMHGOXEPNYQFG-KGLIPLIRSA-N 348.468 3.987 0 50 EHAA CC(C)COc1ccc(C(C)(C)NC(=O)C2CCC(O)CC2)cc1 194276725 CSZVSXMXGLKQOH-UHFFFAOYSA-N 333.472 3.624 0 50 EHAA O=C1COc2cc(C(=O)Nc3ccc4c(c3)CCCCC4)ccc2N1 652872354 KYOJCKCBXUTAKZ-UHFFFAOYSA-N 336.391 3.539 0 50 EHAA Cc1ccc2nc(CCCNC3CSCCSC3)[nH]c2c1C 1506399831 QRNPTHODXWBQKD-UHFFFAOYSA-N 335.542 3.551 0 50 EHAA CCn1ncc(NC(=O)[C@@]2(c3ccc(OC)cc3)CC2(C)C)c1C 1506425827 GSICXNRGSOZVAA-IBGZPJMESA-N 327.428 3.526 0 50 EHAA Cc1ncc(Cl)c(N2CCC(c3nc4ccccc4o3)CC2)n1 1704313913 SCZSSGWTIIUQKB-UHFFFAOYSA-N 328.803 3.964 0 50 EHAA COc1cccc2c(C)cc(SCC(=O)NCc3ccco3)nc12 11907538 BDVSMFOVQCRSQL-UHFFFAOYSA-N 342.420 3.553 0 50 EHAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccn1 12560783 PWOYBQQSCJYGTJ-UHFFFAOYSA-N 334.441 3.713 0 50 EHAA Cc1ccc(N2C[C@H](c3noc(-c4sccc4C)n3)CC2=O)cc1 169755356 BOYWTZMNHFHWQD-CYBMUJFWSA-N 339.420 3.935 0 50 EHAA Cc1cc(C)cc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCN2C3=O)c1 169765825 MXWLESKBMXKMGI-LJQANCHMSA-N 349.434 3.568 0 50 EHAA O=C([C@@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCCCCC1 4744921 BKCYIAHMYRQOMY-QGZVFWFLSA-N 334.891 3.955 0 50 EHAA COC(=O)c1cccc(NC(=O)CCCOc2ccc(C)cc2C)c1 1913934 DATSJVRLMKMTPG-UHFFFAOYSA-N 341.407 3.888 0 50 EHAA Cc1cc2c(cn1)CN(C(=O)c1ccc(N3CCCC3)c(Cl)c1)C2 1857674576 OGODARQSWRAIBW-UHFFFAOYSA-N 341.842 3.800 0 50 EHAA O=C1S[C@H](Nc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 1162262 CTSLWDLUNCRRHR-AWEZNQCLSA-N 332.812 3.974 0 50 EHAA Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 123492895 COZFRGNOGNXGGT-UONOGXRCSA-N 339.313 3.555 0 50 EHAA Cn1ccnc1[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)C1 333370654 WDEIIFODHTVZPB-BRWVUGGUSA-N 346.519 3.914 0 50 EHAA CCCc1ncc(CNC(=O)[C@@H](C)c2cn(C)c3ccccc23)o1 456521848 QIALHUYOBJNFGY-ZDUSSCGKSA-N 325.412 3.539 0 50 EHAA CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)C2(C)CC=CC2)nc1 905039994 XQUZZHZMGKFFCW-UHFFFAOYSA-N 349.434 3.649 0 50 EHAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)c2ccc(C3CCCC3)cc2)C1 888077452 BVARXGHPMFDXDJ-QZTJIDSGSA-N 339.439 3.670 0 50 EHAA Cc1cc(C(=O)N2CC[C@H](C(F)(F)F)C2)c2c(C(C)C)noc2n1 888008038 OYQPTRLVIXYJQU-JTQLQIEISA-N 341.333 3.679 0 50 EHAA C[C@H](Cc1nc2ccccc2s1)NC(=O)CC(F)(F)C(F)F 888567182 PRTOUEHDGWCDFW-MRVPVSSYSA-N 334.338 3.634 0 50 EHAA O=C(/C=C/c1ccc2c(c1)CCO2)O[C@H]1CCC[C@H]1c1cccnc1 2325742999 MCFHLUDWKFTLQX-QWSUTHEZSA-N 335.403 3.909 0 50 EHAA O=C(Cc1c[nH]c2cccnc12)NCc1ccc(-c2nccs2)cc1 2325824341 YTCMDPHNLZECAX-UHFFFAOYSA-N 348.431 3.545 0 50 EHAA CN(C)Cc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1 117723329 JBWSYRVAUQFUCG-UHFFFAOYSA-N 326.465 3.739 0 50 EHAA Cc1cc(OCC(=O)OC(C)(C)C)c2c3c(c(=O)oc2c1)CCCC3 83558 MMTYSOJMOCFHFG-UHFFFAOYSA-N 344.407 3.701 0 50 EHAA COc1ccc(NC(=O)c2ccccc2Br)c(OC)c1 101500 HZWDIJYACWRRFL-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA O=C(c1ccccc1)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 288319 AMGXOMRBTBWBTA-UHFFFAOYSA-N 345.354 3.868 0 50 EHAA Cc1cc(C)cc(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)c1 302575 NGRIZOHHQLUWGZ-GOSISDBHSA-N 338.407 3.905 0 50 EHAA CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1Cl 306732 VBZLPRXUSVJZSH-UHFFFAOYSA-N 333.771 3.778 0 50 EHAA CC[C@H](c1ccc2cc(OC)ccc2c1)[C@H](CC(=O)O)C(=O)OC 393193 UCKVSTWLDCKQLF-SJORKVTESA-N 330.380 3.606 0 50 EHAA FC(F)(F)OC1CCN(Cc2ccc(C(F)(F)F)nc2)CC1 2356170967 VFDBLOSERCPQIK-UHFFFAOYSA-N 328.256 3.601 0 50 EHAA CCN(CC)C(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 7408493 QWLMCBVZMNXAGB-HNNXBMFYSA-N 340.423 3.575 0 50 EHAA Cc1cc(C)nc(S[C@H](C)C(=O)Nc2nc3ccccc3s2)n1 10230893 LKVFNOFTQYHXDC-LLVKDONJSA-N 344.465 3.822 0 50 EHAA CC(=O)c1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 55031376 JGGAAJKTIPEBGD-UHFFFAOYSA-N 328.843 3.865 0 50 EHAA CC(C)c1cc(C2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)n[nH]1 67757982 WTSPRFNQYFEGDP-UHFFFAOYSA-N 339.443 3.896 0 50 EHAA Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@H]2c2cnn(C)c2)s1 135453281 GHJPQYPSWKRKNZ-HNNXBMFYSA-N 347.488 3.753 0 50 EHAA COc1ccc(Br)cc1NC(=O)C1(SC)CCC1 253427725 NYXBHINRKRDROB-UHFFFAOYSA-N 330.247 3.682 0 50 EHAA CN1CCN(CCOc2ccc(C(C)(C)c3ccccc3)cc2)CC1 20118139 NZLOKOMSVKGYAL-UHFFFAOYSA-N 338.495 3.639 0 50 EHAA CCn1ccnc1CN(C)Cc1nc(-c2sccc2C)oc1C 67908045 DRPHNMXLCOUVCX-UHFFFAOYSA-N 330.457 3.868 0 50 EHAA COc1ccc(-c2cc3nc(-c4cncs4)[nH]c(=O)c3s2)cc1 426138643 SVDBIGIVHVFLKB-UHFFFAOYSA-N 341.417 3.784 0 50 EHAA O=C(N[C@@H]1COc2ccccc2C1)c1ncsc1-c1ccccc1 252548544 QBGCMBRLEMJLNH-HNNXBMFYSA-N 336.416 3.544 0 50 EHAA CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cn2)cc1 128902168 IBZRGTDOTVLGTN-UHFFFAOYSA-N 331.803 3.972 0 50 EHAA O=C(Nc1cnn(-c2ccccc2)c1)c1cc(F)c(F)c(F)c1F 122334852 DOOVRMKLMCVWRO-UHFFFAOYSA-N 335.260 3.681 0 50 EHAA CN(C)CCNc1cc(-c2cnc3ccccc3c2)c2cc[nH]c2n1 72133376 IHFOPPYZEURNBT-UHFFFAOYSA-N 331.423 3.752 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccc(C(C)(C)C)s1 331576113 JEDUIACPHGPXJO-CYBMUJFWSA-N 347.484 3.599 0 50 EHAA Cn1cc(C(=O)N2CCN(C(C)(C)C)c3ccccc32)c(C2CC2)n1 362175462 AJHJGRBRJSZWGH-UHFFFAOYSA-N 338.455 3.563 0 50 EHAA Cc1cc(C)n([C@@H]2CCN(Cc3cnc(C4CCCCC4)nc3)C2)n1 72158581 VUVHYJXXXGVPAS-LJQANCHMSA-N 339.487 3.785 0 50 EHAA Cc1c([C@H](C)NC[C@H](O)c2ccsc2)cnn1-c1ccc(F)cc1 154459222 NEFPEEXJAOESCB-SGTLLEGYSA-N 345.443 3.766 0 50 EHAA CCc1noc(C2CCN(c3ncnc4sc(C)c(C)c34)CC2)n1 364403367 MTPSROQRKXJTFI-UHFFFAOYSA-N 343.456 3.638 0 50 EHAA Cc1ccc(O)c(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)c1 77438365 NTYQCQWWIOGJJG-MRXNPFEDSA-N 349.390 3.728 0 50 EHAA CCNc1nc(C)cc(Nc2ccc(NC(=O)C(C)(C)C)cc2)n1 72437323 MNFCNJLCNJTTOA-UHFFFAOYSA-N 327.432 3.945 0 50 EHAA CC(C)c1ncc(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)s1 130314874 SGQQWFGXACUNJQ-AWEZNQCLSA-N 334.441 3.681 0 50 EHAA COc1ccc(CCNC(=O)N(C)[C@@H](C)c2nc(C)sc2C)cc1 72149920 CPMAUMPXZJIFBV-LBPRGKRZSA-N 347.484 3.714 0 50 EHAA CN1CC[C@H](NCc2cccc(C(=O)O)c2)[C@H]1c1ccc(Cl)cc1 263387656 DJKYYEXSBFUQKS-ZWKOTPCHSA-N 344.842 3.573 0 50 EHAA CCn1nc(C)c(NC(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1C 175654300 WAKWMCWJKYTAPM-UHFFFAOYSA-N 330.388 3.671 0 50 EHAA Cc1nn2c(nnc3c(=O)n(C4CCCC4)ccc32)c1-c1ccccc1 40390932 DWZQEVOCQKMQEZ-UHFFFAOYSA-N 345.406 3.530 0 50 EHAA CCN(Cc1noc(C)n1)C(=O)c1ccccc1Oc1ccccc1 223924931 LWSJUMCNTUMLTH-UHFFFAOYSA-N 337.379 3.833 0 50 EHAA CCn1nc(C)cc1C(=O)N1CCCC[C@H]1CCc1ccc(O)cc1 85532651 BXHLYPLPISSZLY-KRWDZBQOSA-N 341.455 3.545 0 50 EHAA CC(C)c1cc(C(=O)NCc2cccc(Cl)c2Cl)n(C)n1 82106939 RQPKXYVNFDDKBN-UHFFFAOYSA-N 326.227 3.780 0 50 EHAA Cc1cccc2c(CCC(=O)N3CCC[C@H](CCC(=O)O)C3)c[nH]c12 237760350 JJKVYRMVUUVGCB-OAHLLOKOSA-N 342.439 3.512 0 50 EHAA C[C@@H]1CCCN(c2ccccc2)N1C(=O)COc1ccc(F)cc1F 91943374 ZNNJQOWULHZYBS-CQSZACIVSA-N 346.377 3.776 0 50 EHAA Cc1noc(-c2ccccc2C(=O)Nc2ccc(Cl)cc2O)n1 179637456 RWCOOIVILSWPOD-UHFFFAOYSA-N 329.743 3.656 0 50 EHAA CC(C)c1ccc(N2C[C@H](C(=O)NCc3ccsc3)CC2=O)cc1 827696795 ZPFVPELGULRMGL-MRXNPFEDSA-N 342.464 3.541 0 50 EHAA Cc1onc(OC(F)F)c1NC(=O)C[C@@H](C)c1ccccc1F 1458987299 KYKJWKZHUCLUFH-MRVPVSSYSA-N 328.290 3.856 0 50 EHAA CC[C@H](c1cccnc1)N(C)C(=O)c1cc(OC)c2ccccc2n1 952977398 NAFLWYXHQHFSDC-GOSISDBHSA-N 335.407 3.862 0 50 EHAA COc1ccccc1N1CCC(N[C@@H]2CCCc3occc32)CC1 192785057 BXDXKOCBPQHJCE-QGZVFWFLSA-N 326.440 3.924 0 50 EHAA O=C1[C@@H](NCc2sccc2Cl)CCN1c1ccccc1Cl 193097512 AJCPFHICSFHSRF-LBPRGKRZSA-N 341.263 3.950 0 50 EHAA Cc1nn(C)c(C)c1[C@H](C)c1nc(-c2ccc(C(F)F)nc2)no1 664957859 IZFDZMBYPINXEV-QMMMGPOBSA-N 333.342 3.571 0 50 EHAA Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc(Cl)c(C(=O)O)c1 683313602 TWKGMXZOBWNHRA-QMMMGPOBSA-N 336.775 3.775 0 50 EHAA CC[C@@H](C)Oc1ccccc1CN1CCN(CC(F)(F)F)CC1 1506398329 AQRSLIIOPFPQNH-CQSZACIVSA-N 330.394 3.544 0 50 EHAA CSc1ccc2c(C)cc(N3CCC[C@H](c4nc[nH]n4)C3)nc2c1 1704339298 QGWJWNLHDIMZQB-ZDUSSCGKSA-N 339.468 3.767 0 50 EHAA O=C(CSc1nnc(-c2ccco2)o1)Nc1cccc(Cl)c1 471231 JIQRPTKBDWQHJZ-UHFFFAOYSA-N 335.772 3.714 0 50 EHAA CCc1sc2nc[nH]c(=O)c2c1-c1ccc(Br)cc1 5237299 JCZLCEANRKKFEI-UHFFFAOYSA-N 335.226 3.977 0 50 EHAA O=C(NCc1ccccc1)N[C@H]1CCCN(C2CCCCCC2)C1 12572125 QFHSPQXMPLNJJX-SFHVURJKSA-N 329.488 3.673 0 50 EHAA COc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(C)o3)C2)cc1OC 12835418 ZFLAMQGPICWGPP-INIZCTEOSA-N 343.423 3.700 0 50 EHAA CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21 13132888 GDQXJQSQYMMKRA-UHFFFAOYSA-N 331.423 3.908 0 50 EHAA in-vivo C[C@@H](C1CC1)n1ncc2[nH]c(-c3cncn3Cc3ccccc3)nc21 19595262 WWLUGJOJDYODGZ-ZDUSSCGKSA-N 332.411 3.642 0 50 EHAA CCc1cccc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCN2C3=O)c1 169765943 YGDDSCIGOAMCKW-IBGZPJMESA-N 349.434 3.513 0 50 EHAA c1ccc(CNc2ncncc2-c2nc(-c3ccccc3)no2)cc1 169781046 WQJOAJFFVROPNR-UHFFFAOYSA-N 329.363 3.806 0 50 EHAA C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 2354084 DCELYKPYUMUWJN-SNVBAGLBSA-N 337.206 3.809 0 50 EHAA CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccco2)c1 2840127 XYBVHCUPOHQAFB-VQHVLOKHSA-N 344.436 3.809 0 50 EHAA C[C@H](NC=O)c1nc2ccccc2n1CCCCOc1ccccc1 6700728 LRARVMHZRHHDGQ-INIZCTEOSA-N 337.423 3.703 0 50 EHAA CSc1ccc2cc(-c3nccn3CC3(C)COC3)c(O)nc2c1 1857688418 IKTTXTNVSGEFPG-UHFFFAOYSA-N 341.436 3.562 0 50 EHAA c1cn(C[C@@H]2CCCN3CCCC[C@H]23)c(-c2ccc3c(c2)CCO3)n1 1857688677 WGQJBGLMNUBWOM-RBUKOAKNSA-N 337.467 3.750 0 50 EHAA Cc1nc2ccc(-n3ccnc3-c3[nH]nc4ncccc34)cc2s1 1857690329 HBJZKQFYFMYNPI-UHFFFAOYSA-N 332.392 3.729 0 50 EHAA Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 158312435 OPIPWIVCLZEIDU-HNAYVOBHSA-N 340.471 3.894 0 50 EHAA CN(C)c1ncc(/C=C/c2nc3ccc(OCCF)cc3o2)s1 34884322 GSZMUPHKOPBPPS-GQCTYLIASA-N 333.388 3.869 0 50 EHAA Cc1cccnc1[C@H]1CCN(C(=O)c2c[nH]nc2C2CCCCC2)C1 2325808629 NCEBZJANDDPRDP-INIZCTEOSA-N 338.455 3.791 0 50 EHAA O=S(=O)(Nc1cccc(-c2cccc(O)c2F)c1)c1ccccc1 2325870382 VMLKKKLVFHMLPF-UHFFFAOYSA-N 343.379 3.999 0 50 EHAA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(F)cc1 45766 HAXMLOZGMBVXQR-UHFFFAOYSA-N 326.371 3.704 0 50 EHAA O=C(c1ccccc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 46394 MWSPTCKWCIKSHR-UHFFFAOYSA-N 327.339 3.718 0 50 EHAA COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccnc2)cc1 127530 ZHLKBAWBUOXHAH-UHFFFAOYSA-N 347.374 3.595 0 50 EHAA Cc1ccc(Cl)c(OC[C@H](O)Cn2c(C)nc3ccccc32)c1 243123 INPRQQRGDIPOLY-CQSZACIVSA-N 330.815 3.746 0 50 EHAA COc1ccc(Cl)cc1NC(=O)c1ccc(Br)o1 310901 NEPNNRANNOEBAE-UHFFFAOYSA-N 330.565 3.956 0 50 EHAA COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 474138 UHBMNHASIOWDBG-NSHDSACASA-N 333.771 3.533 0 50 EHAA C[C@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1nccs1 4842159 AKUWWXDYQQSNKQ-LBPRGKRZSA-N 344.465 3.507 0 50 EHAA O=C(Cn1c(-c2ccccc2F)nc2ccccc21)N1CCCCC1 8787457 GXPPMCLCGNBJHP-UHFFFAOYSA-N 337.398 3.855 0 50 EHAA CCOC(=O)c1csc([C@H]2CCCN2C(=O)C[C@@H]2C=CCCC2)n1 225392876 OCNYWAUSJZLYOR-UKRRQHHQSA-N 348.468 3.730 0 50 EHAA CSc1cnc(NCc2nccn2CCCc2ccccc2)nc1 225822027 QMKGEUFNOIFGPQ-UHFFFAOYSA-N 339.468 3.640 0 50 EHAA Cc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1 100976439 HAMRNWUBIAERMU-HNNXBMFYSA-N 341.777 3.830 0 50 EHAA Cc1cccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n1 117176483 MTCULWHSVWZBMS-UHFFFAOYSA-N 330.815 3.727 0 50 EHAA COC(=O)c1cc(C)nc(-c2ccc([C@H](C)N3CCCCC3)cc2)n1 65395253 ILNXWGPDWBFZFR-HNNXBMFYSA-N 339.439 3.786 0 50 EHAA C[C@H](NC(=O)c1c[nH]nc1[C@H]1CCCNC1)c1cccc2ccccc12 422934113 FIQUKRJGGVUXEV-HOCLYGCPSA-N 348.450 3.521 0 50 EHAA CCc1ccc2ncn(CC[C@H]3CCCCN3C(C)C)c(=O)c2c1 63856333 AIVFBRARGCQKIQ-QGZVFWFLSA-N 327.472 3.612 0 50 EHAA COC(=O)c1cc(C)sc1NC(=O)c1ccc(OC(C)C)cc1 371237 CVYPIRBMPUVKAD-UHFFFAOYSA-N 333.409 3.883 0 50 EHAA COc1ccc(C)cc1-n1c(S)nnc1CCc1ccccc1 6400537 WGMHJAGLJSSOLQ-UHFFFAOYSA-N 325.437 3.658 0 50 EHAA O=C(CCCN1CCc2ccccc21)N1CCc2ccc(F)cc2C1 253407940 PVDDCJZJPLOGBM-UHFFFAOYSA-N 338.426 3.553 0 50 EHAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CSCCS1 153082848 JZIMWBBJQIYSLJ-NWDGAFQWSA-N 344.571 3.943 0 50 EHAA CC(=O)c1ncc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)s1 411653890 GHIJEAFGIUMJFP-LBPRGKRZSA-N 330.453 3.832 0 50 EHAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc(C)c(OC)c(C)c2)C1 71315171 UMSBIISNXXWGFK-INIZCTEOSA-N 341.455 3.617 0 50 EHAA Cn1ncc(CN2CCC[C@@H](COc3ccccc3F)C2)c1C1CC1 72150018 KOAGHIMUMBPDMO-OAHLLOKOSA-N 343.446 3.728 0 50 EHAA CC(C)Cc1ccc(CN2CCN(Cc3cccnc3)CC2)s1 216274691 NMLSZWXWULUGSL-UHFFFAOYSA-N 329.513 3.659 0 50 EHAA CN1CCC(N(CCc2ccccc2)C(=O)C[C@H]2C=CCC2)CC1 72453418 UZUJIHWQOXGZJF-IBGZPJMESA-N 326.484 3.508 0 50 EHAA CCOC1(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CCCC1 284168051 KGAJFSRUXRWLPV-MSOLQXFVSA-N 349.446 3.854 0 50 EHAA CN(C(=O)[C@@H]1CCCCN1Cc1ccccc1)C1Cc2ccccc2C1 222346465 OTACMNKIGLAQFK-QFIPXVFZSA-N 348.490 3.667 0 50 EHAA Cc1cccc(N2CCC(NC(=O)N(C)Cc3ccsc3)CC2)c1 426698185 GCLBKGNLIXHSNO-UHFFFAOYSA-N 343.496 3.867 0 50 EHAA COC(=O)[C@H](O)C(OCCC(C)C)(c1ccccc1)c1ccccc1 334163556 WWEGNSBCCJKLOK-IBGZPJMESA-N 342.435 3.527 0 50 EHAA Cc1c(CCC(=O)N[C@H]2CCCc3sc(Cl)cc32)cnn1C 292106719 MWYJTMRKMZRCRR-ZDUSSCGKSA-N 337.876 3.570 0 50 EHAA CCOc1ccc(Cl)cc1CN(C)C(=O)CCc1n[nH]c(C)c1C 97813861 VWDPGBMUMZZHIY-UHFFFAOYSA-N 349.862 3.670 0 50 EHAA O=c1c(=Cc2c(Cl)cccc2Cl)sc2nc3ccccc3n12 252668550 FIIFSGZAQXPHGW-UHFFFAOYSA-N 347.226 3.764 0 50 EHAA C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 299740076 VMXZXVHDVDMKLG-GDBMZVCRSA-N 342.414 3.817 0 50 EHAA C[C@H](CN)Oc1ccc(CN(C)Cc2ccc3ncccc3c2)cc1 299760775 XEBWPZVDNGXMAL-MRXNPFEDSA-N 335.451 3.593 0 50 EHAA CCOc1ccc(CC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)cc1 952976846 UNCKDPHRYLJNNJ-UHFFFAOYSA-N 340.398 3.907 0 50 EHAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C)[C@H](c3ccco3)C2=C1O 888089274 RSFSSKMLDSZNJT-GOSISDBHSA-N 347.374 3.621 0 50 EHAA C[C@H](CCNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1 221923069 ZFDCDJJCXUPVJT-SUMDDJOVSA-N 348.512 3.534 0 50 EHAA CCCC(=O)Nc1ccc(C)c(NC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)c1 952867198 KFZZXUZUXSPSDS-LJVAIEIZSA-N 326.440 3.964 0 50 EHAA CCC[C@H](NC(=O)Nc1ccc2c(c1)CCNC2=O)c1ccccc1 667406530 JSUJNANISGZQDT-SFHVURJKSA-N 337.423 3.635 0 50 EHAA Cc1nc2sc(C(=O)c3ccc4c(c3)OCO4)c(N)c2c(C)c1C 536325 FQVFIXZWDMOLPB-UHFFFAOYSA-N 340.404 3.763 0 50 EHAA CCOCCOc1ccccc1C(=O)N1C[C@H]2CC(C)=CC[C@H]2C1 216417596 AKDRWYRGPPJIOQ-DLBZAZTESA-N 329.440 3.530 0 50 EHAA C[n+]1c(CCCc2sc3ccccc3[n+]2C)sc2ccccc21 404877 DHVVGIDZZQCGQH-UHFFFAOYSA-N 340.517 3.940 0 50 EHAA Cc1ccc(C2=NN(C(=O)OC(C)(C)C)[C@](O)(C(F)(F)F)C2)cc1 447939 UKJFQSLFCAFJRD-OAHLLOKOSA-N 344.333 3.591 0 50 EHAA Cc1[nH]c([C@@H]2CC(=O)N(C(C)(C)C)C2)nc1-c1ccc(F)cc1F 19956815 RLWSXKFYPIQZKX-LLVKDONJSA-N 333.382 3.778 0 50 EHAA O=C(NCc1ccccc1)Nc1cccc(-c2nnc3n2CCCC3)c1 169771903 DSSADFOVUTXDCJ-UHFFFAOYSA-N 347.422 3.603 0 50 EHAA CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1OC)c1ccccc1 6742643 DLBDLDBAMXIVDE-OAHLLOKOSA-N 329.396 3.594 0 50 EHAA CCSc1ccc([C@H](C)NC(=O)[C@@H](CN)c2ccccc2)cc1 236941889 DZUNIDTVRMZRCV-KSSFIOAISA-N 328.481 3.718 0 50 EHAA C=Cc1ccc(CCNC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 253428325 KEJYYQDBAKELDM-UHFFFAOYSA-N 340.448 3.712 0 50 EHAA CCN(C(=O)c1cnc(OC)c(Cl)c1)[C@@H]1CCCc2cccnc21 375167965 PTFHADJCCNGILJ-OAHLLOKOSA-N 345.830 3.678 0 50 EHAA CC(C)(C)c1nc(COc2ccccc2NC2CCOCC2)no1 952994800 SGNXFGFOVPQBFX-UHFFFAOYSA-N 331.416 3.537 0 50 EHAA Cn1c(N2CC[C@H](c3ccc(F)c(F)c3)C2)nc2ccc(F)cc21 1875331675 SMXTZQQNQVNMCU-LBPRGKRZSA-N 331.341 3.985 0 50 EHAA OC[C@H]1C[C@@H](N[C@@H](c2cc(F)c(Br)cc2F)C2CC2)C1 1775987673 QOYCSXKXPGKADZ-UYNUJQBQSA-N 346.215 3.539 0 50 EHAA FC(F)c1coc(N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)n1 1775998797 KARSEFINMCZNPB-UHFFFAOYSA-N 345.353 3.781 0 50 EHAA Cn1c(-c2ccccc2)c(C(=O)C(=O)NC(C)(C)C)c2ccccc21 4622680 WWBGSFXAGMOMHZ-UHFFFAOYSA-N 334.419 3.943 0 50 EHAA Cc1csc(C[C@@H]2CCCN2C(=O)N[C@H]2CCC3(CCC3)C2)n1 2325791742 CQTWHESVYSWEJT-GJZGRUSLSA-N 333.501 3.891 0 50 EHAA CC(C)C1CCC([C@@](C)(O)CNCc2nn(C)c3ccccc23)CC1 2325842345 VKSBJQCFVOZMIP-BPZDKFOGSA-N 343.515 3.876 0 50 EHAA C[C@H](NCc1ccc2ccn(C)c2c1)c1cnn(-c2ccccc2)n1 2325858621 UTYUUFHPEPOXEK-HNNXBMFYSA-N 331.423 3.610 0 50 EHAA C[C@H](NC1=NC[C@H]2CC[C@@H](C)CN12)c1ccccc1Br 2325864412 NRQSRHKKXSBESJ-FRRDWIJNSA-N 336.277 3.570 0 50 EHAA C[C@H](NCCc1nsc2ccccc12)c1cccc2c1OCO2 2325870226 NSLXTKXZHISXFJ-LBPRGKRZSA-N 326.421 3.918 0 50 EHAA FC(F)(F)c1nc2n(c1CN1CC(Cc3ccoc3)C1)CCCC2 898159652 AUEHMFOBHRQXBL-UHFFFAOYSA-N 339.361 3.506 0 50 EHAA CCCC1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(C(F)(F)F)C1 108411 OCRDHKWISNASML-CYBMUJFWSA-N 334.725 3.593 0 50 EHAA c1cc(CSC2=NCCS2)nc(CSC2=NCCS2)c1 136126 XSZGOBBSFFXDSF-UHFFFAOYSA-N 341.552 3.754 0 50 EHAA COc1ccc(OC)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 362444 IIJCBSUHNMHWTQ-UHFFFAOYSA-N 349.452 3.802 0 50 EHAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)CCc1ccccc1 7720904 STIWQEQRELQKAS-UHFFFAOYSA-N 335.407 3.718 0 50 EHAA NC(=O)C(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 9192595 KGIFXBSTPAOCRI-UHFFFAOYSA-N 347.201 3.664 0 50 EHAA CCN(Cc1cc(Cl)ccc1OC)C(=O)c1ccc(CO)cc1 55253840 QYMJTSJGBQRPRJ-UHFFFAOYSA-N 333.815 3.503 0 50 EHAA O=C(Cc1cccs1)Nc1ccccc1C(=O)N1CCCCC1 10029824 PLCAIPAQWDGKKK-UHFFFAOYSA-N 328.437 3.555 0 50 EHAA O=C(Nc1scnc1-c1ccccc1)c1cccc(-n2cccn2)n1 134654582 CRWMZVDZTNGNHT-UHFFFAOYSA-N 347.403 3.643 0 50 EHAA CN(Cc1ccoc1)C1CCN(c2cccc(-c3ccn[nH]3)c2)CC1 23398222 KOCHOQSYIPDCLD-UHFFFAOYSA-N 336.439 3.771 0 50 EHAA Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CCc2c(C)n[nH]c2C)C1 120981292 MOXSRLOJGMQTEU-WMLDXEAASA-N 325.456 3.672 0 50 EHAA O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1[C@@H]1CCCC(F)(F)C1 431343237 ZQKULCDKXCKBJD-CYBMUJFWSA-N 342.773 3.682 0 50 EHAA CC[C@@H](C)Sc1ncc(CN2CCc3[nH]nc(C(C)C)c3C2)cn1 32541171 SYOVXAUKMTWFNO-CYBMUJFWSA-N 345.516 3.772 0 50 EHAA CC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2C)c2ccccc2O1 172691441 RVFSPJFXKVNNII-QGZVFWFLSA-N 347.418 3.999 0 50 EHAA CC(C)(C)[C@H](NC(=O)c1ccc2c(c1)CCNCC2)c1cccs1 252481694 CQNYXOPOEGSZMD-GOSISDBHSA-N 342.508 3.954 0 50 EHAA Cn1ncc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1C1CC1 71416083 CFYABHDOKTWYEH-KRWDZBQOSA-N 331.847 3.524 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N[C@@H]2COC3(CCCCC3)C2)c1 72410627 RZJGFPYUEQFCBF-SFHVURJKSA-N 345.483 3.612 0 50 EHAA CCOc1ccc([C@H]2CC(=O)Nc3cc(OC)cc(OC)c32)cc1 4488980 IWBJOGSBLUZJBV-OAHLLOKOSA-N 327.380 3.577 0 50 EHAA CN(Cc1cccc(Cl)c1Cl)C(=O)c1cn2c(n1)CCCC2 252484984 GLQLXKHEZLOZNS-UHFFFAOYSA-N 338.238 3.798 0 50 EHAA O=C(c1ncccc1O)N1CCC[C@H](CCc2c(F)cccc2F)C1 71662590 PAFUSERXVRJWBF-CYBMUJFWSA-N 346.377 3.550 0 50 EHAA C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)NCC1(C2CC2)CCC1 332842352 OHCSRBLJKDIMNS-LNLFQRSKSA-N 334.504 3.682 0 50 EHAA O=C(N[C@@H](c1ccccc1)c1ccco1)c1cnc(C(F)(F)F)nc1 153859806 OCQCAYISIYNFNI-AWEZNQCLSA-N 347.296 3.608 0 50 EHAA O=C(CC[C@H]1CCCO1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 126569089 DCAYFUNRBVXXBX-APWZRJJASA-N 344.842 3.900 0 50 EHAA C[C@@H](NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F 283264111 WFKCVEKZNHNASV-CABCVRRESA-N 344.405 3.778 0 50 EHAA Cc1nn(C)c(Cl)c1CN1CCCC[C@@H]1c1nnc(C2CCC2)o1 286234021 LVLZRWIRSOXDQH-CQSZACIVSA-N 349.866 3.760 0 50 EHAA CC(C)CCc1ccc(NC(=O)c2cccc(C(=O)N(C)C)c2)nc1 456774035 BVKNQYJVEJMBCB-UHFFFAOYSA-N 339.439 3.624 0 50 EHAA O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](c1cccnc1)CC(O)=N2 71282604 HZYPAHFOAZXFBL-OAHLLOKOSA-N 340.427 3.980 0 50 EHAA COc1ccc2[nH]cc(C3CCN(C(=O)c4cc[nH]c4C)CC3)c2c1 175789527 DKAJSDWSOGRYHQ-UHFFFAOYSA-N 337.423 3.833 0 50 EHAA CC(C)(C)[C@@H]1CCc2sc(C(=O)N[C@H]3CCSC3=O)cc2C1 17070954 SKUMPBTUKDSEIQ-NEPJUHHUSA-N 337.510 3.661 0 50 EHAA O=C(C[C@H]1CCCN1Cc1nc(-c2ccco2)no1)c1cccs1 177397743 NRWUZFFLAHRHFF-GFCCVEGCSA-N 343.408 3.629 0 50 EHAA CSC[C@@H]1CCCN(C(=O)NCc2ccccc2C(F)(F)F)C1 426428316 VMGXZKIVGSVFRB-GFCCVEGCSA-N 346.418 3.990 0 50 EHAA Cc1ccc(-c2nn(S(C)(=O)=O)c(-c3ccc(C)cc3)c2C)cc1 20617851 CYLFZTCEKYNEJJ-UHFFFAOYSA-N 340.448 3.950 0 50 EHAA O=C(c1ccc(-c2cncc3ccccc23)cc1)N1CCCC[C@H]1CO 426538273 CEEVPGACCGTZKR-IBGZPJMESA-N 346.430 3.889 0 50 EHAA CO[C@H]1CCN(C(=O)Nc2ccccc2OCc2ccccc2)C1 96149641 ITVUUDSTNBSGIN-INIZCTEOSA-N 326.396 3.518 0 50 EHAA CC(C)n1ccnc1C1CCN(C(=O)c2ccc(F)c(F)c2)CC1 95521001 MQNUCHCRZROUMY-UHFFFAOYSA-N 333.382 3.762 0 50 EHAA O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1c[nH]nc1-c1ccccc1 97730009 YIDQDXUASOWGBU-HNNXBMFYSA-N 346.312 3.505 0 50 EHAA CCc1ccccc1OC1CN(C(=O)c2ccccc2OC(F)F)C1 91585987 PPJIBDNQXNBKDB-UHFFFAOYSA-N 347.361 3.754 0 50 EHAA Cc1ccn(CCNC(=O)c2ccc(-c3ccccc3Cl)o2)n1 92107037 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3.564 0 50 EHAA CC(C)c1cnc(NC(=O)N2CCO[C@@H](c3cccs3)C2)s1 192397324 CUWXVTMKVYBURC-LLVKDONJSA-N 337.470 3.933 0 50 EHAA C[C@](O)(CNC(=O)Nc1ccc(C(F)(F)F)nc1)C1CCCCC1 192378567 MKBDJEMSWYUSSF-HNNXBMFYSA-N 345.365 3.553 0 50 EHAA CO[C@H](C)c1nnc(NC(=O)c2cccc3c(C)c(C)[nH]c23)s1 1506399789 QALKGQQUDXVVIV-SNVBAGLBSA-N 330.413 3.596 0 50 EHAA COc1ccc(NC(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)cc1 611922 IQYASNMIIPDFDR-INIZCTEOSA-N 339.439 3.746 0 50 EHAA CSc1ccc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1 11933799 CTALCIVNSIMKDD-FQEVSTJZSA-N 344.524 3.633 0 50 EHAA Cc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)C2CCCC2)O3)nc1 12184397 JSMPRKOVHQXFRP-SFHVURJKSA-N 336.435 3.667 0 50 EHAA CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 13710812 YEHHFJSZASUYBH-AWEZNQCLSA-N 326.396 3.668 0 50 EHAA COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1 15837654 BFXJUDARKJFIFO-CQSZACIVSA-N 330.409 3.904 0 50 EHAA Cc1sc(NC(=O)c2ccc(OC(C)C)cc2)c(C(N)=O)c1C 4985813 BDJVFHAXINUBJA-UHFFFAOYSA-N 332.425 3.503 0 50 EHAA Cc1cc(C)n(-c2cccc(-c3nccn3C3CCN(C)CC3)c2)n1 1857680769 OLTVONOTSDNIMJ-UHFFFAOYSA-N 335.455 3.619 0 50 EHAA O=C1C[C@H](n2ccnc2-c2ccncc2)CN1c1cccc(Cl)c1 1857733795 YVWAABSDXMJWKD-INIZCTEOSA-N 338.798 3.577 0 50 EHAA COc1cc(OC)c2nc(-c3ccc4c(c3)CN(C)C4=O)cc(C)c2c1 1857739270 HDGUCJOUWMANQM-UHFFFAOYSA-N 348.402 3.813 0 50 EHAA Cc1ncoc1COC(=O)c1cc(-c2ccncc2)nc2ccccc12 814095377 SXYFGMYNNFZLTL-UHFFFAOYSA-N 345.358 3.950 0 50 EHAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1C[C@@H]2CCCCCC[C@H]21 1875301077 CLJIVSQWIAMWHP-XRQSOVCCSA-N 333.472 3.887 0 50 EHAA CC(C)CNC1CC(Nc2nc(C(F)(F)F)nc3ccccc23)C1 1775988534 SVWXSGUVPKEDPH-UHFFFAOYSA-N 338.377 3.837 0 50 EHAA O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)N1CCCC1 36357551 JJWSCXFMHXXTGS-UHFFFAOYSA-N 334.419 3.843 0 50 EHAA CCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 100896 CQWXFNNEWUPHQY-HNNXBMFYSA-N 340.398 3.688 0 50 EHAA CN1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1 4326905 CBUUEZPMVUFWCA-UHFFFAOYSA-N 344.418 3.795 0 50 EHAA c1ccc2c([C@H]3CCN(Cc4cnc5n4CCOC5)C3)cccc2c1 2325798651 MQZMSECZTMZFJZ-KRWDZBQOSA-N 333.435 3.556 0 50 EHAA COc1cccc(/C=C/c2nc(-c3cc4c(nc3O)CCCC4)no2)c1 2325808574 CWFNBLIUKAKAIF-MDZDMXLPSA-N 349.390 3.895 0 50 EHAA Cc1ccccc1-n1cc(-c2nc3ccccc3n2CCN(C)C)cn1 2325859556 ASLNHDUCMSDRBY-UHFFFAOYSA-N 345.450 3.759 0 50 EHAA CSc1nc(C)cc(Oc2ccc(OCc3ccccc3)nn2)n1 99750 RYGUTICFHWLBIO-UHFFFAOYSA-N 340.408 3.668 0 50 EHAA Cn1c(-c2ccc(-c3nc4cnccc4n3C)cc2)nc2cnccc21 290028 BPVKSIVYPUYZSR-UHFFFAOYSA-N 340.390 3.584 0 50 EHAA COc1ccc(-n2nc3cc(C)c(NC(=O)CC(C)C)cc3n2)cc1 316758 SZPGBISEGCWQJW-UHFFFAOYSA-N 338.411 3.722 0 50 EHAA COc1ccc(C(=O)NC(=S)Nc2ccccc2C(C)C)cc1 318293 VDMHSISHBRXWKM-UHFFFAOYSA-N 328.437 3.945 0 50 EHAA COc1ccccc1C(=O)NC(=S)Nc1ccc(C)c(Cl)c1 361076 YHOOAKJJSJOKOQ-UHFFFAOYSA-N 334.828 3.784 0 50 EHAA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2cncc3ccccc23)CC1 225557258 ZMOKMVITVBXRDU-LNLFQRSKSA-N 349.478 3.710 0 50 EHAA CC[C@@H](C)c1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1 59759649 ROYUSBGOUFYVGQ-CQSZACIVSA-N 331.460 3.532 0 50 EHAA COc1c(C)cccc1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 67920387 CAIYDYHWPVAUIY-KRWDZBQOSA-N 345.826 3.871 0 50 EHAA Cc1ccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c(C)c1 21806953 ZQGMNMAPYDTDLW-UHFFFAOYSA-N 331.725 3.961 0 50 EHAA Cc1cc(Cl)c(OCCCN2CCOCC2)c(Br)c1 20118613 IWVLNVOMVIWXAQ-UHFFFAOYSA-N 348.668 3.512 0 50 EHAA Cc1cc(Nc2ccccc2C(=O)O)nc(Nc2cccc(O)c2)n1 170621825 QCRWJYLGIRIICG-UHFFFAOYSA-N 336.351 3.676 0 50 EHAA c1ccc2sc(N3CCCN(c4ccc5cc[nH]c5n4)CC3)nc2c1 72429813 VQASSUNRQFYWLH-UHFFFAOYSA-N 349.463 3.889 0 50 EHAA CC1=C(C(=O)OCc2ccc(C)cc2)[C@H](c2ccccc2C)CC(=O)N1 4913339 UZHRNEBMEQJISW-IBGZPJMESA-N 349.430 3.924 0 50 EHAA Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccnc2)n1 257365264 WDYRVSIHZWLPPH-XHSDSOJGSA-N 327.453 3.704 0 50 EHAA C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1nc(C(C)(C)C)cs1 332175761 ZKHUDSNYNUNNOI-NSHDSACASA-N 346.452 3.703 0 50 EHAA Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)c2ccncc2)CC1 77338045 QOLPOSXKGBNAJJ-UHFFFAOYSA-N 346.434 3.800 0 50 EHAA Cc1ccsc1CNC(=O)CSc1cn(C)c2ccccc12 215771240 IEDCCIBHEWZNRZ-UHFFFAOYSA-N 330.478 3.957 0 50 EHAA O=c1c2cnc3c(C(F)(F)F)cccc3c2[nH]n1-c1ccccc1 34925908 WLXUUNPYYJFGRI-UHFFFAOYSA-N 329.281 3.886 0 50 EHAA Cc1ccc(Cc2nc(C(=O)N3CCc4cnccc43)cs2)cc1 157201480 LGGNGPGJVKTBMR-UHFFFAOYSA-N 335.432 3.640 0 50 EHAA Cc1ccccc1OC1CN(Cc2ccccc2Cn2cccn2)C1 72171611 IGRGEUDSNUKVKR-UHFFFAOYSA-N 333.435 3.503 0 50 EHAA S=C(NCCc1ccccc1)NCc1ccccc1Br 13323920 WHDJPAHOIYDBRL-UHFFFAOYSA-N 349.297 3.656 0 50 EHAA CCCO[C@H]1CCCN(C(=O)NCC2CCC(F)(F)CC2)CC1 374308487 VVIAREIDKUDQCY-HNNXBMFYSA-N 332.435 3.803 0 50 EHAA CN(C)C(=O)c1ccc(CN2CCCC[C@H]2c2ccc(F)cc2)o1 72163631 WOFWUULZJOSFGH-KRWDZBQOSA-N 330.403 3.848 0 50 EHAA c1ccc2c(N3CCCC3)nc(NCc3ccc4c(c3)OCO4)nc2c1 41148409 PETOUWAGCPOEDC-UHFFFAOYSA-N 348.406 3.571 0 50 EHAA O=C(O)c1ccc(C[C@H]2CCN(C(=O)c3ccccc3Cl)C2)cc1 72448220 WNCSQVCHYAIYJX-CQSZACIVSA-N 343.810 3.743 0 50 EHAA O=C(NCC1(Cc2ccccc2)CC1)c1cncnc1-c1ccccc1 341230966 UXIYHDCGOFFIPV-UHFFFAOYSA-N 343.430 3.896 0 50 EHAA C[C@@H]1[C@@H](NC(=O)[C@@H](C)N(C)Cc2ccc(F)c(F)c2)CCC[C@H]1C 229647486 DOOQABJOCWSGCN-NPSOMJIGSA-N 338.442 3.726 0 50 EHAA CC1(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)CCCC1 223825555 BCSBCAFQUVNFCG-KVWWFHCMSA-N 338.451 3.743 0 50 EHAA COC(=O)c1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 20605437 ABKMGAFDJFLQQT-UHFFFAOYSA-N 329.359 3.850 0 50 EHAA COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccco3)[nH]n2)cc1 91305781 VYOXBILVHRZSTD-QGZVFWFLSA-N 337.379 3.656 0 50 EHAA CC[C@@H](c1nc(C)c(C)s1)n1cc(-c2ccccc2C(=O)O)nn1 95364404 NMUSUBANXDTNSB-HNNXBMFYSA-N 342.424 3.716 0 50 EHAA CSCc1ccc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)o1 95384241 ZFMZKVLEGAHVEO-CQSZACIVSA-N 347.484 3.940 0 50 EHAA CCc1nccn1CCCNC(=O)Nc1ccc2oc(C)cc2c1 96153472 XOLRKKJUQOKCOS-UHFFFAOYSA-N 326.400 3.712 0 50 EHAA C[C@H]1CCN2c3cc(Cl)ccc3CC3(C(=O)CCCC3=O)[C@H]2C1 247817940 FBWIISMUPSTHPX-BLLLJJGKSA-N 331.843 3.810 0 50 EHAA CN(Cc1nnc(-c2cccnc2)o1)Cc1ccccc1C(F)(F)F 244574995 CUVYXUGFVRUJIC-UHFFFAOYSA-N 348.328 3.782 0 50 EHAA Cc1ccc(-c2ccc(C(=O)N[C@H]3c4ccccc4C[C@H]3O)s2)o1 183291387 YNLPYSZMTSBZOD-KDOFPFPSSA-N 339.416 3.705 0 50 EHAA Cc1csc(CCNC(=O)C[C@H](c2ccsc2)n2cccc2)n1 263587882 MHOGFONDLOBWLD-OAHLLOKOSA-N 345.493 3.653 0 50 EHAA CCSCCNC(=O)N(C)[C@H](C)c1cc(-c2ccccc2)n[nH]1 534577300 LTIZLXMLXURXAK-CYBMUJFWSA-N 332.473 3.532 0 50 EHAA CC(C)(C)OC(=O)Nc1c(Br)ccc(F)c1C(=O)O 725375337 LJSNLFNBCOOVSW-UHFFFAOYSA-N 334.141 3.633 0 50 EHAA Cc1oc2c(c1C(=O)Nc1ccc3c(c1)C[C@H](C)O3)C(=O)CCC2 822512871 RBMCGDFCMAULEB-JTQLQIEISA-N 325.364 3.683 0 50 EHAA CC(=O)Nc1ccc(-c2noc(C[C@@H]3CCO[C@H](C(C)C)C3)n2)cc1 273817305 XHRSMRMTDZFMHJ-PBHICJAKSA-N 343.427 3.689 0 50 EHAA Cn1c([C@@H]2CCCN2Cc2cnc(Cl)s2)nc2c1CCCC2 276144181 ZBZQIAZQROPNNF-AWEZNQCLSA-N 336.892 3.746 0 50 EHAA Cc1cc(Nc2ncnc3onc(C)c23)ccc1OC1CCOCC1 192460830 GPHJXMAZLHCNST-UHFFFAOYSA-N 340.383 3.536 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OCC)cc1 301997 VSWGRSNHZNXJEA-SDNWHVSQSA-N 339.391 3.914 0 50 EHAA CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OC)cc1 314958 MNEAFIIWKISGHD-JLHYYAGUSA-N 325.364 3.524 0 50 EHAA CSc1cccc(NC(=S)NC(=O)CCc2ccccc2)c1 1126125 XSNFBAQSLMBXQL-UHFFFAOYSA-N 330.478 3.854 0 50 EHAA O=C(c1ccc(Cl)s1)N1CC[C@]2(CCCN(CC3CC3)C2)C1 11844457 JAYBJGLHLIZUBX-KRWDZBQOSA-N 338.904 3.740 0 50 EHAA CCOc1ccccc1-c1nc(CN2CCC(OC)CC2)c(C)o1 12762164 GPSRNROYQCEZKR-UHFFFAOYSA-N 330.428 3.660 0 50 EHAA c1ccc(Cc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 13656034 XDOYSSJSOFYOHW-UHFFFAOYSA-N 331.404 3.925 0 50 EHAA CCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 16192455 GEXGKQXXMQAVHL-UHFFFAOYSA-N 325.817 3.712 0 50 EHAA O=C(COc1cccc(Br)c1)Nc1ccc(Cl)cn1 16602308 DPAMFHUWFMRBJQ-UHFFFAOYSA-N 341.592 3.515 0 50 EHAA Cc1nc2c(-c3ccccc3)cnn2c(NCCCn2ccnc2)c1C 5207558 DJGAIXSAZRJAGY-UHFFFAOYSA-N 346.438 3.712 0 50 EHAA COc1ccc(Cl)cc1[C@H]1CC(=O)Nc2cc3c(cc21)OCO3 2469554 YQKKXZAJLDGXPW-JTQLQIEISA-N 331.755 3.551 0 50 EHAA COc1cccc(-c2ncc(-c3nccn3C[C@@H]3CCOC3)s2)c1 1857699726 WONZNSUAIVHGHU-ZDUSSCGKSA-N 341.436 3.719 0 50 EHAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 237658747 IUWIMUHPHFNBRA-QGZVFWFLSA-N 333.771 3.537 0 50 EHAA Cc1ccc(-c2cncc(F)c2)cc1NC(=O)Cn1cc(Cl)cn1 357768012 ZYZPJRLEUPGXNF-UHFFFAOYSA-N 344.777 3.685 0 50 EHAA COC1(c2nc(CCn3cnc4ccccc43)no2)CCCCCC1 903966653 PDFVPYWFAMDOTM-UHFFFAOYSA-N 340.427 3.858 0 50 EHAA COc1nscc1-c1noc([C@@H]2C[C@H]2c2ccc(F)cc2F)n1 904132170 SNRDLLIJUJADOY-VHSXEESVSA-N 335.335 3.751 0 50 EHAA Cc1c(NC(=O)N2CCC[C@H]2c2ccc(O)cc2)cnn1CC(C)C 930613830 OQIRLLSLQLNDPK-SFHVURJKSA-N 342.443 3.922 0 50 EHAA Cc1nc([C@@H]2CCN(Cc3ccccc3OCc3ccccc3)C2)no1 931936224 MLPCMYOEFWGUFA-LJQANCHMSA-N 349.434 3.947 0 50 EHAA CC1(C)[C@H]2CCCN(C(=O)Nc3cccc(Cn4ccnc4)c3)[C@H]1C2 1875266667 MINJMYOVOWDNEF-WMZOPIPTSA-N 338.455 3.974 0 50 EHAA Cc1noc(C)c1CC(=O)N[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 1875396503 JWBMVUOZNNDPEX-LSDHHAIUSA-N 338.329 3.525 0 50 EHAA Cc1[nH]c2c(Cl)ccc(Cl)c2c1CCNCc1cnccn1 2325777792 FZNYJTGKAMUXJV-UHFFFAOYSA-N 335.238 3.905 0 50 EHAA CCn1nc(C)c(NC(=O)Nc2ncc([C@@H]3CCCCO3)s2)c1C 2325782039 QEVOSRVKWMJZGP-LBPRGKRZSA-N 349.460 3.862 0 50 EHAA COc1ccc([C@H]2C[C@@H](NC(=O)[C@@H](CC(C)C)n3ccnc3)C2)cc1 2325782870 LHKUQWCVEWJXFO-ZIFCJYIRSA-N 341.455 3.541 0 50 EHAA COc1ccc2c(c1)N([C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@H]2C 2325793719 FWHQFHHDUVCLAA-KGLIPLIRSA-N 345.464 3.783 0 50 EHAA CCc1noc(COC(=O)c2cc(C(C)C)nc3onc(C)c23)c1C 2325805973 JGRRPJVTMKAFMH-UHFFFAOYSA-N 343.383 3.870 0 50 EHAA CCOC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCC2 37976 ISJJTDAMKHRHHP-UHFFFAOYSA-N 333.384 3.805 0 50 EHAA O=C(CSc1nnc(-c2cccnc2)o1)c1c[nH]c2ccccc12 221659 CNUWTSSYDRIITC-UHFFFAOYSA-N 336.376 3.588 0 50 EHAA Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c(C)c1 314426 AFYJZXBMUOMCOE-OAHLLOKOSA-N 340.398 3.743 0 50 EHAA NC(=O)c1ccc(Nc2ccnc3cc(Br)ccc23)cc1 54202324 NPJCLLWOFVZYQZ-UHFFFAOYSA-N 342.196 3.840 0 50 EHAA CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc(Cl)cc1F)C2 112667685 LDQLZTUFQPGFHX-UHFFFAOYSA-N 335.810 3.535 0 50 EHAA COc1ccc(OC)c(CN(C(=O)c2ccncc2)C2CCCC2)c1 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3.629 0 50 EHAA Cc1cnc2c(C)cccc2c1N1CCC([C@@H](O)c2ncc[nH]2)CC1 366506825 UAINGRWSSIJCSX-LJQANCHMSA-N 336.439 3.525 0 50 EHAA O=C(NCC1([C@H](O)c2ccccc2)CC1)c1ccccc1OC(F)F 155753175 XXTCFZSJTONKCS-MRXNPFEDSA-N 347.361 3.532 0 50 EHAA CC(=O)Nc1ccc(CNC(=O)Nc2ccc(C3CC3)c(F)c2)cc1 240333527 FEANLIBPURPLIL-UHFFFAOYSA-N 341.386 3.983 0 50 EHAA CN(Cc1noc(C2CC2)n1)Cc1ccc(CN2CCCCC2)s1 97694701 WGPQTHREKYFDSY-UHFFFAOYSA-N 346.500 3.626 0 50 EHAA CCc1cc(C(=O)N2CC[C@@H](Cc3ccc(CO)cc3)C2)cs1 95364598 NBWLUQUYFBZMQY-INIZCTEOSA-N 329.465 3.508 0 50 EHAA C[C@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@H]1CC=C2CC(=O)O 257358880 WXRCQADVBJRAON-ZGSOQKCWSA-N 346.467 3.580 0 50 EHAA Cc1cccc(-c2nc(CNC(=O)CSCC3CC3)cs2)c1 252481338 CJFFGNAYCITKMT-UHFFFAOYSA-N 332.494 3.878 0 50 EHAA O=C(Nc1ccc2scnc2c1)c1cccc(Cn2cccn2)c1 828172311 JLAYJUQOCMMJLA-UHFFFAOYSA-N 334.404 3.793 0 50 EHAA CC1(C)CN(C(=O)Nc2ccccc2-c2c(F)cccc2F)C[C@@H]1O 408452087 LZRZKYACBOKJCD-INIZCTEOSA-N 346.377 3.866 0 50 EHAA CCC1(CC)CN(C(=O)c2ccccc2-c2nnc(C)o2)CCS1 274375963 FDWZVHLFGGVFLR-UHFFFAOYSA-N 345.468 3.793 0 50 EHAA Cc1ncsc1CN(Cc1ccsc1)[C@H]1CC12CCNCC2 275609556 IMBJUVZIBWARJC-INIZCTEOSA-N 333.526 3.657 0 50 EHAA C[C@H](CNC(=O)c1c[nH]nc1-c1ccsc1)Cc1cccs1 187377475 RKHCTHDQIBRHFA-NSHDSACASA-N 331.466 3.808 0 50 EHAA Cc1nccc(C(=O)Nc2c(Cl)cc(F)cc2Br)n1 193618826 GXFSRKSMGNXFCX-UHFFFAOYSA-N 344.571 3.592 0 50 EHAA C[C@@H](NC(=O)c1ccc(Cl)nc1)c1nc2ccc(Cl)cc2[nH]1 732544544 RSGOZAZBFMOBPZ-MRVPVSSYSA-N 335.194 3.756 0 50 EHAA Cc1nn(C)c(C)c1CN(C(=O)C1=Cc2ccccc2OC=C1)C1CC1 1506408469 FHBDPJVOCBQDGP-UHFFFAOYSA-N 349.434 3.518 0 50 EHAA Cc1ccc(N2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1 541666 WVOJIDOPQAHDLG-UHFFFAOYSA-N 338.480 3.943 0 50 EHAA CN(Cc1ccccc1OC1CCCC1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529190437 JAROSIVQJDHHKP-QGFMHUBQSA-N 329.484 3.989 0 50 EHAA CCCCc1ncc(CN2C[C@@H]3CC[C@H](C2)CN3CC=C(C)C)[nH]1 219901070 JPIYOMNVOZKDJS-MJGOQNOKSA-N 330.520 3.615 0 50 EHAA O=C(Oc1cccc(/C=C2/SC(=S)N=C2O)c1)c1ccco1 1187908 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Cc1ccc(C)c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1 155441949 WKTVFDFTNBNLAU-KRWDZBQOSA-N 337.467 3.654 0 50 EHAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3sccc3Cl)C1)CC2 1704332507 YSHRFUWHKWQBPP-KRWDZBQOSA-N 333.888 3.980 0 50 EHAA C[C@]1(CNC(=O)Nc2cscc2Br)CCCCO1 931627844 VSZAXPYIIACKNL-GFCCVEGCSA-N 333.251 3.591 0 50 EHAA Cc1ccsc1CN(C)C(=O)[C@@H](N)c1ccc(F)c(Cl)c1 1875287248 AYUBROPKXUXAMA-AWEZNQCLSA-N 326.824 3.507 0 50 EHAA Cc1sc2nc(-c3cncnc3)nc(O)c2c1-c1ccc(F)cc1 1875303834 PMDWUIQAXSIOGM-UHFFFAOYSA-N 338.367 3.968 0 50 EHAA COc1cccc([C@@H]2CCN(c3ncnc4ccccc34)C2)c1OC 1875379336 QLURWAMBQAQLRH-CQSZACIVSA-N 335.407 3.641 0 50 EHAA CCc1nocc1CN(C)c1ncc(Br)c2cccnc12 893988653 HRFFVVCMLCXPLU-UHFFFAOYSA-N 347.216 3.579 0 50 EHAA O=C(Nc1oncc1-c1ccc(Cl)cc1)c1ncc(F)cc1F 2100483944 UFRJNXJIZYWCGM-UHFFFAOYSA-N 335.697 3.921 0 50 EHAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@H](C)O[C@@H](C)C1 79415 TVTRXQKNMOSKHX-QWRGUYRKSA-N 334.803 3.553 0 50 EHAA O=C(CCN1CCCCCC1)Nc1ccc(Br)cc1 176173 SJOMKYDSIHVKBP-UHFFFAOYSA-N 325.250 3.654 0 50 EHAA COc1ccc(CN2CCC(N3CCCCCC3)CC2)cc1OC 207657 BSRWGPMRYOYXDM-UHFFFAOYSA-N 332.488 3.544 0 50 EHAA COc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1C 453688 YXUWJEIJNGHJEQ-UHFFFAOYSA-N 334.828 3.784 0 50 EHAA COC(=O)c1sccc1NC(=O)c1ccc(Br)s1 1054552 LUQHYSXMPGKDPT-UHFFFAOYSA-N 346.227 3.611 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 51492080 RJWMDETWDDESBP-ZDUSSCGKSA-N 334.847 3.768 0 50 EHAA in-vivo C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1nc(-c2ccco2)cs1 117609839 HEVWVTDXMRCOFF-BONVTDFDSA-N 326.377 3.906 0 50 EHAA COc1ccc(C(=O)c2sc(Nc3ccc(F)cc3)nc2N)cc1 1426726 NCMAVOONDNTHQY-UHFFFAOYSA-N 343.383 3.848 0 50 EHAA COc1ccc([C@H](C)NCc2c[nH]nc2-c2ccc(C)o2)cc1F 124822508 PPAPVSDKZYQVKD-LBPRGKRZSA-N 329.375 3.977 0 50 EHAA CC(=O)Nc1ccc(Cl)c(NC(=O)c2nc(Cl)sc2C)c1 253433509 XRUALNDLHDEMOC-UHFFFAOYSA-N 344.223 3.969 0 50 EHAA O=C(Nc1ccncc1)c1cc(Br)ccc1OC(F)F 6828701 NACGZVKYDCRORS-UHFFFAOYSA-N 343.127 3.698 0 50 EHAA O=C(Cc1cccc(C(=O)O)c1)Nc1cccc(Oc2ccccn2)c1 432110598 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C/C(=C\C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F)C1CC1 792547991 YSQPAIIPKNHMTI-KFUCAUQGSA-N 339.357 3.696 0 50 EHAA Cc1noc(NC(=O)Cn2c(C)nc3ccccc32)c1-c1ccccc1 1529186346 XKFYQRXWKHLNHQ-UHFFFAOYSA-N 346.390 3.947 0 50 EHAA COc1ccccc1-c1nn2c(-c3cccc(F)c3)nnc2s1 385539 NVBZGVUKKWYWKL-UHFFFAOYSA-N 326.356 3.668 0 50 EHAA Cc1cccc(C)c1C(=O)N1CC[C@](C)(O)[C@H](Cc2ccccc2)C1 215015382 ZVJXWXZGGVNLRO-KNQAVFIVSA-N 337.463 3.759 0 50 EHAA Cc1ccc(-c2cs/c(=N\S(=O)(=O)c3ccc(C)cc3)[nH]2)cc1 475636 HCFSSMPIXTYGLE-UHFFFAOYSA-N 344.461 3.650 0 50 EHAA O=C(Nc1ccc(I)cc1F)c1cccs1 4842646 SSYJAUHMLJUSQR-UHFFFAOYSA-N 347.152 3.744 0 50 EHAA COCCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 12137912 VPPQLULYXASQRZ-UHFFFAOYSA-N 339.313 3.983 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)no1 12314310 UZOCYYBWBIKWQY-ZDUSSCGKSA-N 346.814 3.680 0 50 EHAA Cc1occc1C(=O)NCc1cccnc1N1CCCCCCC1 12574829 QTIJXAQPEPRETB-UHFFFAOYSA-N 327.428 3.684 0 50 EHAA C[C@H]1CN(C(=O)C(C)(C)Oc2cc(Cl)ccc2Cl)C[C@@H](C)O1 13744770 VRCWNDDFQAOCRU-PHIMTYICSA-N 346.254 3.787 0 50 EHAA O=C(c1ccco1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 13776452 ZPESKCMSCIDYBS-UHFFFAOYSA-N 344.370 3.968 0 50 EHAA CC(C)CN1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 14993491 VPCYTSWLRFLBDO-QGZVFWFLSA-N 344.528 3.943 0 50 EHAA O=C(c1cccc(F)c1)N1CCN(Cc2cccc3ccccc23)CC1 19855164 DXHAMZBSHIWJDT-UHFFFAOYSA-N 348.421 3.937 0 50 EHAA Cc1ccc(N2C[C@@H](c3noc(-c4ccsc4)n3)CC2=O)cc1 169755256 JBPUVLKCMQHYSO-ZDUSSCGKSA-N 325.393 3.627 0 50 EHAA CC(=O)Nc1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1 4856436 IDGDXIAFDGWXKI-ZDUSSCGKSA-N 328.437 3.905 0 50 EHAA Cc1nc(SCC(=O)Nc2nccs2)[nH]c1-c1ccccc1 4945300 FWXGCSWKNJLEIG-UHFFFAOYSA-N 330.438 3.572 0 50 EHAA CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CNC 1844836 IKACRWYHQXOSGM-LAUBAEHRSA-N 325.452 3.933 0 50 EHAA endogenous,in-man Cc1cc(CN(C)C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)no1 253427769 DXGKLQRYSKEESX-GDBMZVCRSA-N 331.391 3.600 0 50 EHAA Cc1cc(OCC(=O)OCCc2scnc2C)cc(C)c1Cl 780320966 PKLNRCUZPHOGDT-UHFFFAOYSA-N 339.844 3.886 0 50 EHAA C[C@@H]1CN(C(=O)NCc2cnc(O)c3ccccc23)[C@H]2CCCC[C@@H]12 924813792 NJEMNZKOTKLBGT-XUWXXGDYSA-N 339.439 3.661 0 50 EHAA CC[C@@H](C[C@H](C)O)Nc1nc(-c2ccccn2)nc2sccc12 866304462 YCGSZKRTYUQKBU-RYUDHWBXSA-N 328.441 3.715 0 50 EHAA Cc1cccc(C(=O)Nc2ccc(OC[C@@H]3C[N@]3CC3CC3)cc2)c1 1875382258 WIZWONQTADYART-CVDCTZTESA-N 336.435 3.720 0 50 EHAA C[C@@H](NCc1noc2c1CCCC2)c1ccc(-c2cncnc2)cc1 2325723699 DFBDSGOLDDMQCT-CQSZACIVSA-N 334.423 3.861 0 50 EHAA C[C@@H](CCc1ccc2c(c1)OCO2)OC(=O)c1cncc(Cl)c1 2325855965 XCTJIGSATVUKHI-NSHDSACASA-N 333.771 3.642 0 50 EHAA N[C@]1(c2ccccc2)CCN(C(=O)c2cc(-c3ccccc3)ns2)C1 2325856253 HPHPPJNSXQTVTF-HXUWFJFHSA-N 349.459 3.510 0 50 EHAA NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 127920 VPJJUDAXEIWYQR-UHFFFAOYSA-N 334.828 3.632 0 50 EHAA COc1ccc(CCn2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1OC 490502 CEDWOGPSKCAVLP-UHFFFAOYSA-N 343.423 3.770 0 50 EHAA biogenic COc1ccc(OC)c(NC(=S)Nc2cc(OC)ccc2OC)c1 611908 FWKKWSZJNRXNNF-UHFFFAOYSA-N 348.424 3.530 0 50 EHAA CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 2524477 IZHCJTGKBMXNHV-UHFFFAOYSA-N 335.375 3.561 0 50 EHAA O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)N1CCCCC1 4619254 JXHZMFDEWDIXIH-UHFFFAOYSA-N 330.409 3.729 0 50 EHAA O=C(Nc1cccc2ncccc12)c1cncnc1-c1ccccc1 342551902 ZMVGEGUCTAAIOF-UHFFFAOYSA-N 326.359 3.944 0 50 EHAA CCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1 8714753 SZRBFRGVVHWBGN-UHFFFAOYSA-N 340.832 3.633 0 50 EHAA CCOC(=O)c1ccccc1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 105641243 KTBOQRJRFATIQY-CQSZACIVSA-N 333.428 3.978 0 50 EHAA CSc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)c1 57291827 GODZPMYIFVMSEQ-QGZVFWFLSA-N 340.448 3.652 0 50 EHAA CCCCC(=O)Nc1ccc(NC(=O)[C@H](C)n2ccnc2C)cc1 55242912 LMXFUUUCAHJUPA-ZDUSSCGKSA-N 328.416 3.520 0 50 EHAA CC(=O)Oc1c(C)cc(CN(C)[C@H](C)Cc2cc(C)ccn2)cc1C 55358897 JLJCANRTMPVOCS-QGZVFWFLSA-N 340.467 3.995 0 50 EHAA O[C@@H]1CN(c2ncc(Cl)cn2)CC[C@H]1c1ccc2ccccc2c1 67785148 MYVNZQGNGKLEFP-ZWKOTPCHSA-N 339.826 3.638 0 50 EHAA O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC[C@@H](c2nccs2)C1 229755851 KMJPBQHTLCLBCX-UXIGCNINSA-N 348.418 3.931 0 50 EHAA C[C@H](NC(=O)c1ccc2c(c1)CCNCC2)c1ccc(Cl)s1 252499624 SCYMDXDFDXDXOC-NSHDSACASA-N 334.872 3.581 0 50 EHAA CC(=O)Nc1ccc(CN(C)Cc2cc3cc(F)ccc3[nH]2)cc1 67965182 OJCXELRGOYBURZ-UHFFFAOYSA-N 325.387 3.897 0 50 EHAA Cc1ccc2c(C(=O)N3CCCCC3)cc(-c3cnn(C)c3)nc2c1C 63871321 QTPPSZYELLUYTE-UHFFFAOYSA-N 348.450 3.878 0 50 EHAA COc1ccc2cc(-c3nc(N)ncc3C)ccc2c1Br 1388043 RSSOLAOVRFQUGE-UHFFFAOYSA-N 344.212 3.959 0 50 EHAA CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCCO 1778801 BNOLSPVFSXGSIX-UHFFFAOYSA-N 343.210 3.513 0 50 EHAA CC(C)C(=O)N(C)C1CCN(c2ccccc2C(F)(F)F)CC1 328586294 SZGOJUSZVGNIEO-UHFFFAOYSA-N 328.378 3.789 0 50 EHAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1Nc1cccc(-c2ncco2)c1 253370662 ULGNNHDZKHFOFQ-ATZDWAIDSA-N 341.455 3.643 0 50 EHAA CCCO[C@H]1CCCN(C(=O)c2ccc(CN3CCC(C)CC3)o2)C1 219282040 CRYVRGQKSNAEOF-KRWDZBQOSA-N 348.487 3.543 0 50 EHAA C[C@H]1CCCCN1CCC1CCN(C(=O)C(C)(C)C(F)F)CC1 253421572 YGXKTWJVUVPQEY-AWEZNQCLSA-N 330.463 3.781 0 50 EHAA Cc1ccc(SCC(F)(F)F)c(NC(=O)c2ccnnc2)c1 151903297 WTTSIMYOTASJOL-UHFFFAOYSA-N 327.331 3.692 0 50 EHAA CC[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccc(C)nn2)c1 77137483 CJIJXCFJXWJNKS-MRXNPFEDSA-N 325.412 3.982 0 50 EHAA COCC1(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)CCC1 77488506 VPNYCWANHONWDG-IBGZPJMESA-N 344.499 3.619 0 50 EHAA Cc1cnn([C@@H](C)C(=O)N(C)Cc2csc(-c3ccccc3)n2)c1 72477231 DMUAPSWBUYHNRE-AWEZNQCLSA-N 340.452 3.535 0 50 EHAA Cc1cccc2c1CCN2C(=O)NCc1ccc(Cn2ccnc2)cc1 124793805 HNMLUJZHZYDJLD-UHFFFAOYSA-N 346.434 3.512 0 50 EHAA O=C(NC1CCN(Cc2cccs2)CC1)[C@H]1CCc2ccccc21 216118228 UFWCVBKWCVWBGP-IBGZPJMESA-N 340.492 3.559 0 50 EHAA Cc1cn2c(CCC(=O)N[C@H]3C[C@@H]3c3ccccc3C)csc2n1 156092341 YJHVAYDRQIYJGO-SJORKVTESA-N 339.464 3.618 0 50 EHAA CC(C)c1nc([C@@H](C)NC(=O)c2ccc(-c3cccs3)o2)n[nH]1 341510134 YHOANSOAAAASCF-SNVBAGLBSA-N 330.413 3.741 0 50 EHAA CC(C)[C@H](Nc1nccc(CCC(F)(F)F)n1)c1nccn1C 71765201 DOKMIFWWYYUSCT-LBPRGKRZSA-N 327.354 3.514 0 50 EHAA CCCc1n[nH]cc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71749472 GDCQRFFRCUMGDZ-INIZCTEOSA-N 343.446 3.986 0 50 EHAA Cc1cc(N[C@H](C)c2nncn2C2CCCC2)n2nc(C)c(C)c2n1 72431599 IWCFDBUSBMNMLV-CQSZACIVSA-N 339.447 3.534 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)c1cc(F)cc2cccnc12 340722706 YRVBWJNHRJYDIX-UHFFFAOYSA-N 338.338 3.803 0 50 EHAA Cc1nccn1CC[C@@H](NC(=O)CCC(F)(F)F)c1ccccc1 222338399 PAFQUJPUTHJTDP-OAHLLOKOSA-N 339.361 3.782 0 50 EHAA Brc1ccnc2ccc(I)cc12 86029514 RIMFFKOKLMUJLR-UHFFFAOYSA-N 333.954 3.602 0 50 EHAA CSc1ccccc1C(=O)N[C@@H](Cn1ccnc1)c1ccccc1 221187953 JFCOVTADBDIYEI-KRWDZBQOSA-N 337.448 3.776 0 50 EHAA CCC[C@@]1(CO)CCN(Cc2csc(-c3ccccc3F)n2)C1 288961049 YENYNUCJJKMRDI-GOSISDBHSA-N 334.460 3.934 0 50 EHAA Cc1cc(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)c2cnn(C(C)C)c2n1 291208251 VHBTUSNYFAAZRW-KRWDZBQOSA-N 338.455 3.725 0 50 EHAA CCn1nc(C)cc1C(=O)N1CCCC[C@@H]1CCc1ccc(O)cc1 85532649 BXHLYPLPISSZLY-QGZVFWFLSA-N 341.455 3.545 0 50 EHAA CC[C@@H](NC(=O)c1cccc(-c2cccc(F)c2)c1)[C@H]1C[C@H](O)C1 223476938 GZLIFFUVNAUVPC-NZSAHSFTSA-N 327.399 3.772 0 50 EHAA O=C(NC1CCOCC1)N(CCc1ccccc1)C1CCCCC1 426547619 LZJCWIWNMREDCK-UHFFFAOYSA-N 330.472 3.752 0 50 EHAA CCCN(Cc1ccsc1)C(=O)[C@H](c1cccnc1)N1CCCC1 95352203 IBYSUNVWNVLZLK-SFHVURJKSA-N 343.496 3.719 0 50 EHAA CCCCN(Cc1ccc(C)s1)C(=O)N[C@@H](C)c1nc(C)no1 584884777 UHVGXSBDKFKQSE-LBPRGKRZSA-N 336.461 3.821 0 50 EHAA CC(C)[C@H](C(=O)Nc1n[nH]c2nc(O)ccc12)c1cccc(Cl)c1 1450525551 XHZPESKUIMXZEM-AWEZNQCLSA-N 344.802 3.695 0 50 EHAA CC(C)c1nccn1CCCNC[C@@H](C)Cc1ccc2c(c1)OCO2 952978946 CKZHQQSWCMBKSF-INIZCTEOSA-N 343.471 3.594 0 50 EHAA Cc1cc2cccc(C(=O)N(C)Cc3noc(CC(C)C)n3)c2o1 952972105 HLKCKQHFWPGCFO-UHFFFAOYSA-N 327.384 3.595 0 50 EHAA Cc1cc(-c2ncccc2NC(=O)NCC2=CCN(C)CC2)cs1 275541634 QIIXOWOQIKQCOH-UHFFFAOYSA-N 342.468 3.502 0 50 EHAA O=C(O)Cc1cccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 653640105 OJTQVNNEFOTKKV-UHFFFAOYSA-N 349.390 3.710 0 50 EHAA C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(CC(=O)O)c1 653644992 GDSXIHVTKTVDLC-OAQYLSRUSA-N 337.419 3.551 0 50 EHAA Cc1ccccc1OCC(=O)Nc1ccc(Br)cc1F 459646 XLGLTHAMYMEIIZ-UHFFFAOYSA-N 338.176 3.914 0 50 EHAA Clc1cccc(OC2CN([C@H]3CCN(c4ccccc4)C3)C2)c1 1506418441 YNDPTXTUWLCXKP-KRWDZBQOSA-N 328.843 3.682 0 50 EHAA CC1=CC2(CCN(Cc3cn(C)nc3-c3ccccc3)CC2)OCC1 1704298657 AXFREOVSFQCFQQ-UHFFFAOYSA-N 337.467 3.788 0 50 EHAA Cc1ccc(/C=C/C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 474561 MBYZRORBKOEAAD-VAWYXSNFSA-N 334.463 3.974 0 50 EHAA CCCCc1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1 5015911 OVSRPUWUTOOIMW-SFHVURJKSA-N 337.423 3.791 0 50 EHAA Cc1cccc(-n2nnc(-c3nnc(-c4ccccc4C)o3)c2C)c1 11692833 HAYNUHFTZZVPCU-UHFFFAOYSA-N 331.379 3.910 0 50 EHAA O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(F)cc1F 12137869 LHNQYTRJWWRADU-OAHLLOKOSA-N 333.334 3.775 0 50 EHAA O=C(Nc1cc(C(=O)N2CCCC2)ccc1Cl)c1cccc(F)c1 15019521 AOIVUJPVVWTMNO-UHFFFAOYSA-N 346.789 3.967 0 50 EHAA COc1ccc([C@@H](CC(=O)NCc2ccccn2)c2ccccc2)cc1 15072973 KLYLSYRGLPTLCA-NRFANRHFSA-N 346.430 3.929 0 50 EHAA COc1ccccc1OCC(=O)N(Cc1ccccc1)C(C)(C)C 2837623 ABBULWFLTZHNME-UHFFFAOYSA-N 327.424 3.901 0 50 EHAA O=C1CCC(c2ccccc2)=NN1c1ccc(Br)cc1 4725060 GMQALFLAMKKJNE-UHFFFAOYSA-N 329.197 3.980 0 50 EHAA COc1cc(NC(=O)c2cc(CC(C)C)on2)c(OC)cc1Cl 2465782 GKWHUSGRRSYSTE-UHFFFAOYSA-N 338.791 3.796 0 50 EHAA aggregator O=C(c1cc2cc(Cl)ccc2o1)N1CC[C@H](Oc2cccnc2)C1 135802216 UOPFKJWUHRAQJZ-HNNXBMFYSA-N 342.782 3.775 0 50 EHAA CC[C@H]1CCCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 156370841 KNGHLWLCBLIWJO-AWEZNQCLSA-N 332.419 3.605 0 50 EHAA O=C(c1nc2ccccc2cc1C1CC1)N1CCCC[C@@H]1c1ncon1 903481347 ZGSGJULYKXLROO-QGZVFWFLSA-N 348.406 3.863 0 50 EHAA CC(C)CNC(=O)N1CCC[C@@H](c2nc(CC3(C)CCCC3)no2)C1 809534855 SMEAZIBSFSCABV-OAHLLOKOSA-N 348.491 3.737 0 50 EHAA Nc1cc(CCCCNC(=O)Nc2cccc(C(F)F)c2)ccn1 952992882 KVQKBOYPDWOVNK-UHFFFAOYSA-N 334.370 3.746 0 50 EHAA CC(C)c1ncncc1NC(=O)Cc1cccc(OC(F)(F)F)c1 1875297065 BEHAFQPPXCMKGY-UHFFFAOYSA-N 339.317 3.680 0 50 EHAA CC(C)CN(C(=O)Nc1cccc2c1ccn2C)C1CCN(C)CC1 1875273057 AQBIIAMIYPHYDI-UHFFFAOYSA-N 342.487 3.762 0 50 EHAA COc1ccc2nc(C(F)(F)F)[nH]c(=N[C@@H]3CC[C@H](C)C3)c2c1 1875357787 WSIZLHZXGJEMIK-VHSXEESVSA-N 325.334 3.680 0 50 EHAA Cc1cc(OCc2cnccn2)c2cc(Br)ccc2n1 1875340946 AHKBCLXBZDTMGT-UHFFFAOYSA-N 330.185 3.675 0 50 EHAA Cc1oc(C(C)(C)C)cc1CNc1ccc2c(c1)N(C(N)=O)CC2 894091781 JCMZPDFRKDOZFD-UHFFFAOYSA-N 327.428 3.939 0 50 EHAA O=C(O)C[C@@H](NC(=O)CSc1ccccc1)c1cccc(Cl)c1 4686103 XZSUEMNKDLEHQX-OAHLLOKOSA-N 349.839 3.764 0 50 EHAA O=C(NC[C@H]1C[C@H](n2ccnn2)C1)c1ccc(C2CCCCC2)cc1 2325803862 HGRCCQQWURXDTQ-RHDGDCLCSA-N 338.455 3.707 0 50 EHAA O=C(c1cc2c(Cl)cccc2[nH]1)N1CCN[C@@H](c2ccccc2)C1 2325855545 FQHWSQZQNLJCGE-GOSISDBHSA-N 339.826 3.608 0 50 EHAA CCC[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCc2cc(C(=O)O)ccc2C1 2325880205 YKLFVBDKMQKSOW-JEBQAFNWSA-N 329.440 3.575 0 50 EHAA CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1OC 1050824 YURDXRKMKJONKN-OAHLLOKOSA-N 327.424 3.845 0 50 EHAA CCc1ccc(OCCCC(=O)Nc2cccc(C(=O)O)c2)cc1 1773432 TWVLTNDHVLYZLS-UHFFFAOYSA-N 327.380 3.745 0 50 EHAA CCCCN(C)c1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 2690425 NPFJYOXSMSMYTE-UHFFFAOYSA-N 344.889 3.866 0 50 EHAA COc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=O)oc12 2932863 JONWGUSIBWLUIS-UHFFFAOYSA-N 329.739 3.707 0 50 EHAA Cc1cc(C(=O)Nc2scc3c2c(=O)oc2ccccc23)no1 4805394 GKLCVFUPBFGOHL-UHFFFAOYSA-N 326.333 3.556 0 50 EHAA Cc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(N)=O)c1C 6254894 ASMIUIPHTXSCKN-UHFFFAOYSA-N 332.469 3.619 0 50 EHAA Cc1cccc(NC(=O)NC2CCN(Cc3cccs3)CC2)c1 57530818 UYXIPCUIWFCNPW-UHFFFAOYSA-N 329.469 3.843 0 50 EHAA Cc1nnc([C@H](C)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 246590520 TWAMYWKSMZHBCE-JOYOIKCWSA-N 342.226 3.899 0 50 EHAA c1ccc(CCc2n[nH]c(Cn3c(C4CC4)nc4ccccc43)n2)cc1 67919578 WSEZVXXBLZTUME-UHFFFAOYSA-N 343.434 3.865 0 50 EHAA O=C(c1ccnc(-c2ccc(Cl)cc2Cl)c1)N1CCOCC1 67769988 HLYMUDBSNASVNV-UHFFFAOYSA-N 337.206 3.528 0 50 EHAA COc1ccc([C@H]2CC(=O)Nc3cc(O)c(C)cc32)c(Cl)c1OC 65387211 TZEKXBVCNWOTOQ-LLVKDONJSA-N 347.798 3.845 0 50 EHAA O=C(Nc1ccc(F)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 20457796 NXCQQTIHTDTUHO-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA C[C@@H](c1ccco1)N(C)C(=O)c1cc(COc2ccccc2F)[nH]n1 67818868 WVTDESSMZNWWTM-LBPRGKRZSA-N 343.358 3.554 0 50 EHAA FC(F)(F)c1cccc(C[C@H]2CN(Cc3nccs3)CCO2)c1 65380811 DPNZLUAKTUSGBP-AWEZNQCLSA-N 342.386 3.605 0 50 EHAA CNc1nc(Nc2cccc3ccccc23)nc(OCC(F)(F)F)n1 449026 WFZAJIBYIYNUDE-UHFFFAOYSA-N 349.316 3.751 0 50 EHAA biogenic Cc1ccc(Cl)c(OCn2ccc(C(=O)N3CCCCCC3)n2)c1 2797930 VZPDBWXMTGAHAY-UHFFFAOYSA-N 347.846 3.898 0 50 EHAA CCOC[C@H]1CCCN1Cc1ccc(-c2nc3ccccc3n2C)o1 215414325 YVNDAHHRLHXVKM-OAHLLOKOSA-N 339.439 3.834 0 50 EHAA CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H](c2nccs2)C2CC2)C1 230150238 MRVLJEBENHSKIY-MJBXVCDLSA-N 339.530 3.910 0 50 EHAA Cc1nc(C)c(C(=O)N2CCC[C@@H](COc3ccccc3F)C2)s1 77437757 LXJDCXCMDVVDQJ-CQSZACIVSA-N 348.443 3.830 0 50 EHAA Cc1cc2nc(C(C)C)cc(NC[C@H](O)c3ccc(Cl)cc3)n2n1 72425536 AEVHZOGEBAKFFE-INIZCTEOSA-N 344.846 3.960 0 50 EHAA CC(C)(C)c1ncc(NC(=O)N2CCC(c3nccs3)CC2)cn1 253392675 PYXNITLHUYDPDN-UHFFFAOYSA-N 345.472 3.642 0 50 EHAA CC(C)C[C@H](C)OC(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 253420396 WVUAAFZKPJOMPX-KBPBESRZSA-N 341.473 3.654 0 50 EHAA OCC[C@H]1CN(Cc2cccc3c2sc2ccccc23)CCO1 215189834 HKXUGZSBSURHFI-HNNXBMFYSA-N 327.449 3.638 0 50 EHAA CCc1ccc(-c2nccn2Cc2noc(Cc3ccccc3)n2)nc1 72411707 QWPBGNFPXIJGBS-UHFFFAOYSA-N 345.406 3.530 0 50 EHAA Cc1ccsc1-c1nccn1[C@@H](C)c1nc(-c2ccccn2)no1 71747539 BNASKBVFZBSVEJ-LBPRGKRZSA-N 337.408 3.974 0 50 EHAA CCCOC(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1 13326035 SAIVRTJVKMLJNR-UHFFFAOYSA-N 342.464 3.783 0 50 EHAA Cc1c(O)cccc1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 71753529 JJTFBGBQTQHIEW-KRWDZBQOSA-N 331.799 3.568 0 50 EHAA CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CC[C@H](O)CC1 284541561 BAXPUASIYBBGRF-BPUTZDHNSA-N 343.389 3.694 0 50 EHAA CC(C)c1nn(C)cc1NC(=O)N[C@@H]1CCCOc2cc(F)ccc21 242167664 WYMQQHSMIFVBGN-CQSZACIVSA-N 346.406 3.718 0 50 EHAA C[C@@H](c1nc(O)c2ccccc2n1)N1CCC[C@@H](c2ccncc2)C1 289385844 QLKPGMKLQBJIKP-GOEBONIOSA-N 334.423 3.671 0 50 EHAA O=C(N[C@H]1COC2(CCCC2)C1)c1csc(-c2cccs2)n1 82092131 LNLWNKMTJSAJQE-LLVKDONJSA-N 334.466 3.703 0 50 EHAA CCN(CC)CCNc1c2ccccc2nc2c1c(C)nn2CC 43190788 IXIGAALWDQMMMD-UHFFFAOYSA-N 325.460 3.667 0 50 EHAA CCOc1cccc(-c2ccc(C(=O)NCC[C@H]3CCCN3)cc2)c1 426503782 ZVIOOVPRDZAMMW-LJQANCHMSA-N 338.451 3.624 0 50 EHAA CC1=CCN(C(=O)Nc2ccc3c(c2)C(F)(F)OC(F)(F)O3)CC1 95510208 PHLLSIMDDJBNDX-UHFFFAOYSA-N 346.280 3.879 0 50 EHAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)CC1=CCCC1 426370708 WHIGTXIEKPIVLD-UHFFFAOYSA-N 327.403 3.745 0 50 EHAA Cc1ccc2nc(C(=O)N3CCC[C@@H]3c3cc(C(C)C)on3)cn2c1 91551952 VEWJEUSKWITVJV-MRXNPFEDSA-N 338.411 3.731 0 50 EHAA Cc1c(C(=O)N[C@H]2CCOc3c(Cl)cccc32)cnn1CC(C)C 179783750 KNIFXQXEJJVZRW-INIZCTEOSA-N 347.846 3.755 0 50 EHAA OCCCN(Cc1cccnc1)Cc1cnc(-c2ccccc2)s1 243901809 BEFZAXHENGAORL-UHFFFAOYSA-N 339.464 3.590 0 50 EHAA CC(C)(CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1ccc(F)cc1 182687767 LMRDZXAQVPIILW-KRWDZBQOSA-N 344.434 3.763 0 50 EHAA C[C@H](NCc1cccc(O)c1Cl)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952968881 QLHXDLRTSIPYMR-LUIVIUGWSA-N 335.875 3.855 0 50 EHAA Cc1nc([C@@H]2CCCCN2Cc2ncc(Cl)cc2Cl)n[nH]1 408473372 YXEBBVFLCHTXGG-ZDUSSCGKSA-N 326.231 3.542 0 50 EHAA Brc1cccc(SCCCCN2CCOCC2)c1 170613016 ZSHWXJONDZSBNT-UHFFFAOYSA-N 330.291 3.654 0 50 EHAA O=C(NCCC1CCCC1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 170620672 QVAXWHNWSFCXSR-QGZVFWFLSA-N 338.398 3.628 0 50 EHAA C[C@@]1(C(N)=O)CCCCN1Cc1csc(-c2ccc(Cl)cc2)n1 185883810 FUMPMEWNIIRTSW-KRWDZBQOSA-N 349.887 3.693 0 50 EHAA CC(C)(C)c1noc(CN2C[C@H](c3cccc(F)c3)OCC2(C)C)n1 661740788 SFZVWKNBAPCNRU-OAHLLOKOSA-N 347.434 3.858 0 50 EHAA Cn1cc(CN(CCc2ccc(Cl)cc2)Cc2ccncc2)cn1 1506428233 PRQSHVBRZXIUCN-UHFFFAOYSA-N 340.858 3.713 0 50 EHAA CCC[C@H](NC1CCN(C(=O)c2ccncc2)CC1)c1cccs1 1506420478 FHKNBBZEMKOTQR-KRWDZBQOSA-N 343.496 3.879 0 50 EHAA O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H](C2(O)CC2)C1 1772814654 LVYGYDUASHJLFO-NSHDSACASA-N 347.764 3.736 0 50 EHAA O=C(N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cccc(F)c1 11842872 WQACHWKSUMPYMH-GOSISDBHSA-N 346.833 3.874 0 50 EHAA O=C1CC[C@H](CCNCc2ccccc2F)N1Cc1cccc(F)c1 12050258 YNQQNQFDQIMHOO-GOSISDBHSA-N 344.405 3.636 0 50 EHAA CC(C)(C)c1ccc(OC[C@@H](O)C[S@](=O)Cc2ccccc2)cc1 12381726 ZSQKPFKNQLPLDZ-KOSHJBKYSA-N 346.492 3.673 0 50 EHAA Cc1sc(NC(=O)c2csc3ccccc23)c(C(N)=O)c1C 13327153 FSLQTWYSMYRNRH-UHFFFAOYSA-N 330.434 3.931 0 50 EHAA O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(Cl)c1 14004917 BKCWDNUJSHLDBB-UHFFFAOYSA-N 328.799 3.828 0 50 EHAA CC(C)NCc1cc(-c2ccc(Br)cc2Cl)n[nH]1 168312836 XISAXTKKVLMJMO-UHFFFAOYSA-N 328.641 3.991 0 50 EHAA CC(C)[C@H]1CN(c2noc(C3CCC3)n2)C[C@@H](c2ccccc2)O1 1857732867 KXRUAVYKBDTYCG-SJORKVTESA-N 327.428 3.940 0 50 EHAA C[C@]1(c2ccccc2)CCCN(Cc2ccc(OCC(=O)O)cc2)C1 902255338 CVMVSFKAVBGJHM-NRFANRHFSA-N 339.435 3.704 0 50 EHAA Cc1cc(CN2CCC(c3nc(-c4ccncc4)cs3)CC2)on1 932550897 FGHJZDSIHOJWQZ-UHFFFAOYSA-N 340.452 3.881 0 50 EHAA O=C(c1cc(O)cc(C(F)(F)F)c1)N1CC[C@H]1Cc1ccccc1 857144476 LFXKOLHKCAFVGH-HNNXBMFYSA-N 335.325 3.868 0 50 EHAA Cc1cc(C)c2c(NC(=O)c3ccc([C@@H]4CCCO4)s3)n[nH]c2n1 2100540243 FPOBLMXZHHUBCG-NSHDSACASA-N 342.424 3.740 0 50 EHAA O=C(O)C12CCC(C(=O)Nc3ccc(-c4ccccc4)nc3)(CC1)C2 2325788642 UMCSQIOLLNBPHR-UHFFFAOYSA-N 336.391 3.722 0 50 EHAA Fc1cncc([C@H]2CCN(c3cnc4cc(Cl)ccc4n3)C2)c1 2325855257 OZDRTMIWXUYJTL-NSHDSACASA-N 328.778 3.811 0 50 EHAA COc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)cc3)c2c1 294730 XRCGDEXZISQQTC-UHFFFAOYSA-N 328.799 3.802 0 50 EHAA biogenic,in-vitro Cc1cc2nc(C[C@H](O)c3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C 393840 ONFFSKXHZIEBNY-SFHVURJKSA-N 334.423 3.949 0 50 EHAA Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccccc1Cl)N2 524899 QERNRJXGSNPFPY-GJZGRUSLSA-N 343.793 3.799 0 50 EHAA O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2nccs2)cc1 2928501 ISNBLAVTXKZTAP-UHFFFAOYSA-N 337.404 3.577 0 50 EHAA O=C(CCCCC(=O)N1CCc2ccccc21)N1CCc2ccccc21 4012244 IPRIJLCGEYRKHY-UHFFFAOYSA-N 348.446 3.725 0 50 EHAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccs1 4513054 IHGSBTFMNZJUAD-UHFFFAOYSA-N 327.409 3.769 0 50 EHAA COc1ccc(CC[C@@H](C)NCc2ccc(OC)cc2OC)cc1 4986644 FYPPFUQKKVLZNH-OAHLLOKOSA-N 329.440 3.823 0 50 EHAA CC(C)c1cc(C(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)no1 55344238 MWYHDGBSOUMTDQ-UHFFFAOYSA-N 342.374 3.599 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC=CC2)C1 328593331 UEJBHXSVCDLMJN-SJORKVTESA-N 348.487 3.591 0 50 EHAA CC(C)(C)OC(=O)N1CCC(N=c2[nH]c(C(C)(C)C)cs2)CC1 328595792 FEQZUJAUZCSUTF-UHFFFAOYSA-N 339.505 3.674 0 50 EHAA COc1cccc(-c2[nH]cnc2-c2ccccc2)c1OCCN(C)C 65406284 CKYAIDTVPRLNEY-UHFFFAOYSA-N 337.423 3.693 0 50 EHAA CCOc1ccccc1NC(=O)c1ccc(OC(F)F)c(OC)c1 374315 XUWOTQUUKQUONF-UHFFFAOYSA-N 337.322 3.948 0 50 EHAA CC(C)CN(Cc1cnc(C2CCCCC2)nc1)Cc1cnn(C)c1 215196510 PCJMUPSXMUSMIM-UHFFFAOYSA-N 341.503 3.916 0 50 EHAA Cc1ccc(CN(Cc2scnc2C)C[C@H]2CCNC2)cc1F 328645665 SGIQDPZOUKHBJY-INIZCTEOSA-N 333.476 3.511 0 50 EHAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC2(CCCO2)CC1 72151675 FCCKLCWZEONEDA-CQSZACIVSA-N 337.847 3.587 0 50 EHAA Cc1nn(C)c(C(=O)NCc2ccc(Cl)cc2Cl)c1Cl 2763559 GSANAEXSHPFYLE-UHFFFAOYSA-N 332.618 3.619 0 50 EHAA Cc1ccc(-c2csc3nc(Cn4ccnc4C)[nH]c(=O)c23)s1 123525328 BUVIRHWZLYHNEO-UHFFFAOYSA-N 342.449 3.575 0 50 EHAA Cn1c(S[C@H]2CCCCc3ccccc32)nnc1-c1cnccn1 155612816 XCOKHSGAZUCJCH-INIZCTEOSA-N 337.452 3.832 0 50 EHAA CC[C@H](COC(=O)c1ccccc1C)NC(=O)c1ccccc1C 214076618 ILUGRGVRDPVYKS-MRXNPFEDSA-N 325.408 3.669 0 50 EHAA CC(C)CC(=O)Nc1ccc(C(=O)N(C)c2nccs2)cc1F 172780505 FMBADDINZPASRK-UHFFFAOYSA-N 335.404 3.543 0 50 EHAA CC(C)c1nc(CN(C)C(=O)[C@H](O)c2ccc(Cl)cc2)cs1 77408345 URRUOJAVHBRMML-CQSZACIVSA-N 338.860 3.612 0 50 EHAA Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccc(F)c1F 377152159 OCIKDDNCEBIIPS-UHFFFAOYSA-N 342.345 3.901 0 50 EHAA O=C(CCc1cccc(C(F)(F)F)c1)N1CC[C@@H](O)C12CCCC2 495658127 OZGLPKQKQCAALR-OAHLLOKOSA-N 341.373 3.544 0 50 EHAA COc1ccc2cc([C@H]3CN(CCCCCCO)CCO3)ccc2c1 71752484 BWSGUMRVGRVVNC-OAQYLSRUSA-N 343.467 3.774 0 50 EHAA CON(C)C(=O)c1cc(F)ccc1NC(=O)C[C@H]1CCC[C@H](C)C1 240534500 GOCCOEPSAPAJNA-STQMWFEESA-N 336.407 3.614 0 50 EHAA CSCC(C)(C)C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 283338064 ATLKFKLZTMYBPD-KGLIPLIRSA-N 345.867 3.815 0 50 EHAA OCc1csc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 71416062 LWSJMZUCPIDEQR-ZDUSSCGKSA-N 345.251 3.520 0 50 EHAA NC(=O)c1ccc(Cl)cc1NCc1ncc(-c2ccccc2F)o1 174299758 AOIOQSPVDMDNFE-UHFFFAOYSA-N 345.761 3.845 0 50 EHAA O=C(c1ccc2ncsc2c1)N1CCCC[C@H]1CCn1cccn1 82157735 LMQGRTPZIMBDHO-HNNXBMFYSA-N 340.452 3.578 0 50 EHAA O=C(Nc1nc2ccccc2[nH]1)c1csc(NCc2ccccc2)n1 44902431 HHDVNAADQKYYPO-UHFFFAOYSA-N 349.419 3.884 0 50 EHAA Cc1cnccc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 19148353 UBNIZBWDSRZKFV-UHFFFAOYSA-N 327.391 3.759 0 50 EHAA CC(C)c1cnc(-c2ccc(NC(=O)N3CC[C@@H](C)[C@@H]3CO)cc2)o1 225507279 IKRRFPIQBUTRFD-CJNGLKHVSA-N 343.427 3.700 0 50 EHAA CN(C)c1ccc(-c2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)cn1 289204569 VDQLENJMYQAUFL-UONOGXRCSA-N 342.349 3.747 0 50 EHAA Cc1[nH]c([C@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccc(F)cc1F 20537552 FBBLJVZXNVGMMW-LBPRGKRZSA-N 345.393 3.922 0 50 EHAA O=C(O)[C@]1(CC2CC2)CCCN(Cc2c[nH]c(CC3CCCC3)n2)C1 92077979 KJIVGCFJCSWXNY-FQEVSTJZSA-N 345.487 3.609 0 50 EHAA O=C(O)c1cccc([C@@H]2CCCN(C(=O)c3cccn3C3CC3)C2)c1 95383406 OZBLCQNCHJHEJV-MRXNPFEDSA-N 338.407 3.541 0 50 EHAA COc1ccccc1Oc1ccccc1NC(=O)N1CC[C@@H](OC)C1 96163874 SJDVZNAUIHUPDG-CQSZACIVSA-N 342.395 3.740 0 50 EHAA Cc1ccc2c(C)c(C(=O)N3CCC[C@H]3c3nc(C)no3)oc2c1 91587233 BCRIVWWQHWBSED-AWEZNQCLSA-N 325.368 3.718 0 50 EHAA CCOc1ccc([C@H](C)NC(=O)N(C)CCN(C)C2CCCC2)cc1 534655208 AMEUOCWGPSAMJD-INIZCTEOSA-N 347.503 3.662 0 50 EHAA O=C([C@@H](c1ccc(F)cc1)N1CCCCC1)N1CCCCC12CC2 826583301 CPIRURRNOJXFPW-GOSISDBHSA-N 330.447 3.898 0 50 EHAA C[C@@H]1Cc2cc(NC(=O)C3(N4CCCC4)CCCCC3)ccc2O1 822512880 TXPQAOYRKOCKOZ-OAHLLOKOSA-N 328.456 3.747 0 50 EHAA Cc1cccc(-c2ncc(CN3CCC(c4cc[nH]n4)CC3)cn2)c1 825224806 YOLRAZBRHSYEQO-UHFFFAOYSA-N 333.439 3.555 0 50 EHAA O=C(Cc1ccc(C2CCC2)cc1)Nc1cc([C@H]2CCCOC2)[nH]n1 1349789104 MDBQDPRAAKMYRD-KRWDZBQOSA-N 339.439 3.752 0 50 EHAA CCN(C)C[C@@H](C)CNC(=O)c1ccc(-c2ccccc2Cl)o1 952985113 BRTOERRJJAOMAW-ZDUSSCGKSA-N 334.847 3.918 0 50 EHAA CCCC[C@H](NCc1cnc(N2CCCCC2)nc1)c1cccnc1 952989922 IXNUGCJIFDNPRB-IBGZPJMESA-N 339.487 3.883 0 50 EHAA CC[C@H](C)[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)C(F)(F)F 278223739 UQXHEBFDAIOSLM-ULHQUTTKSA-N 329.240 3.516 0 50 EHAA C[C@@]1(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCCOC1 408095178 LXGSXXOAIDOWOQ-OAHLLOKOSA-N 327.211 3.774 0 50 EHAA CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CSc2ccc(O)cc2)n1 190401347 QGZVQBYZOCMSCY-ZFWWWQNUSA-N 334.441 3.986 0 50 EHAA Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCOc4ccccc43)c2C)o1 192481206 AFJATOZQIWQMFA-CQSZACIVSA-N 337.379 3.791 0 50 EHAA Cc1cc(C)nc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)c1 680914077 KXLUQOSSOGJNTI-MJGOQNOKSA-N 339.439 3.988 0 50 EHAA O=C([C@H](c1ccccc1)C1CCCC1)N1CCC(C2(O)CC2)CC1 1772815623 WVWVBQZWSOOPER-LJQANCHMSA-N 327.468 3.724 0 50 EHAA C[C@H](c1ccc(Cc2cc(C(C)(C)C)n[nH]2)cc1)N1CCOCC1 1772810407 MFZMEVNUMIBJDZ-OAHLLOKOSA-N 327.472 3.691 0 50 EHAA COC(=O)c1ccc2c(c1)CN(c1ccc(C(C)C)cc1)C(=O)CO2 1775973618 WAFPVHNYISEBJQ-UHFFFAOYSA-N 339.391 3.522 0 50 EHAA Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccccn1 12322676 FIEMWFVZSDMBMB-UHFFFAOYSA-N 327.384 3.583 0 50 EHAA CN(C)CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 13322963 OKWNCMBODJMZRX-UHFFFAOYSA-N 330.240 3.617 0 50 EHAA CC[C@@H]1C[C@H](n2ccnc2-c2ccc(OC)c(C)c2OC)CCN1 1857733598 QJPWQXCEERVESG-HUUCEWRRSA-N 329.444 3.579 0 50 EHAA C[C@@H](CC(=O)N1CC[C@](C)(C(=O)O)C1)c1ccccc1C(F)(F)F 237340213 ZZZMIGYLJPDDQB-ZBEGNZNMSA-N 343.345 3.522 0 50 EHAA CC(=O)N1CC[C@H](Nc2ccc(Cl)cn2)c2ccc(F)cc2C1 253427487 AJEVQDKZXWRLEA-INIZCTEOSA-N 333.794 3.780 0 50 EHAA CC[C@H](c1ccncc1)N(C)C(=O)CCC(=O)c1ccc(F)cc1F 265699960 TUBNXJBFWUNQCF-QGZVFWFLSA-N 346.377 3.932 0 50 EHAA CCCOc1cccc(-c2noc(C(F)(F)C3CCNCC3)n2)c1 904584549 SNZVFWFEPNEISF-UHFFFAOYSA-N 337.370 3.617 0 50 EHAA O=C(Nc1ncc(-c2ccccc2)cn1)[C@@H]1CCOC2(CCCC2)C1 905024557 MUSWSEDRYZUAAO-MRXNPFEDSA-N 337.423 3.822 0 50 EHAA Cc1nc2ccccn2c1CNC(=O)N(C)Cc1cc2ccccc2o1 1251513289 HJWFXVVGOTTZBF-UHFFFAOYSA-N 348.406 3.731 0 50 EHAA Cc1cccc(N2CCN(Cc3ccc4nccnc4c3)CC2)c1C 1137089071 ZNXYYFOCJJNYMQ-UHFFFAOYSA-N 332.451 3.569 0 50 EHAA CCc1cc2nncn2c(SCCCc2cncc3ccccc23)n1 1875262219 BQPWTSTXZQIIQF-UHFFFAOYSA-N 349.463 3.960 0 50 EHAA CC(C)N(Cc1ccccc1-c1ccccn1)C(=O)/C=C/CN(C)C 1875376917 NACUDYVCXMQOEX-UKTHLTGXSA-N 337.467 3.603 0 50 EHAA CN(CCCc1ccccc1)C1=NC[C@H](c2ccc(Cl)cc2)N1 2325864619 UKPPAVFPMVFWCY-GOSISDBHSA-N 327.859 3.905 0 50 EHAA C/C(NCc1ccccc1)=C1/N=C(c2ccc(Cl)cc2)OC1=O 6492639 IKVDNEUZGFRIEM-VBKFSLOCSA-N 326.783 3.665 0 50 EHAA CC1(C)[C@H](C(=O)Nc2nc3ccccc3s2)CC[C@@]1(C)C(=O)O 191665 MUKSDTCHANCPAN-BTDLBPIBSA-N 332.425 3.762 0 50 EHAA O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1F 466568 OABLYVPGXRUUBE-UHFFFAOYSA-N 329.356 3.607 0 50 EHAA COc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1OC 496532 HEBCWHSQIRIUFQ-UHFFFAOYSA-N 325.286 3.975 0 50 EHAA O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(F)cc1 556073 DRQWJKVOUURKFR-UHFFFAOYSA-N 340.326 3.554 0 50 EHAA CSCC[C@H]1C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O 2159945 KDGUNUVKTAAEES-DLBZAZTESA-N 325.433 3.713 0 50 EHAA O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1F 7116636 MMWVLILIIFWQAP-UHFFFAOYSA-N 332.762 3.858 0 50 EHAA CC(C)c1nn(C)cc1NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 280655473 CQHYAGDKUORANC-DOMZBBRYSA-N 348.472 3.599 0 50 EHAA Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(CCF)C2 67756186 KSKZQVFPVWBCSE-UHFFFAOYSA-N 344.411 3.833 0 50 EHAA Cc1ccc2nc(CNCc3ccccc3-n3ccnc3C)[nH]c2c1C 67947606 XQHKOFXHISRSPM-UHFFFAOYSA-N 345.450 3.964 0 50 EHAA COCc1nc2cccnc2n1C1CCN(C[C@H]2CC=CCC2)CC1 11789859 HXYXQGPISOBKAV-INIZCTEOSA-N 340.471 3.571 0 50 EHAA Fc1cnccc1-c1nc(-c2ccc(Oc3ncccn3)cc2)no1 355719786 KGJCLZDLJSZDGQ-UHFFFAOYSA-N 335.298 3.520 0 50 EHAA C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 2759457 KAYZHDVGELYSCF-KBPBESRZSA-N 331.847 3.988 0 50 EHAA O=C(O[C@@H]1[C@H]2C[C@@H]3C(=O)O[C@@H]1[C@H]3C2)c1cc2c(s1)CCCCCC2 253424706 JVSIJTFXJMUGLM-DVKYCARXSA-N 346.448 3.514 0 50 EHAA Cn1nnc2cc(CN[C@H]3CC4(CCCC4)Oc4ccccc43)ccc21 329308385 YUCLAWNWNDBWGX-SFHVURJKSA-N 348.450 3.895 0 50 EHAA C[C@@]1(CNC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)CCCO1 126847068 ALVCWIZEYQEUBD-FQEVSTJZSA-N 341.455 3.626 0 50 EHAA COCCOC1CCC(C(=O)N2CCCC3(CCCCC3)C2)CC1 369132206 WSDNANZPYCEPCF-UHFFFAOYSA-N 337.504 3.781 0 50 EHAA Cc1cc2nc(-c3ccccc3)cc(NCCNc3cccnc3)n2n1 72481364 ZIHKHVBABGKLGV-UHFFFAOYSA-N 344.422 3.624 0 50 EHAA COc1ccc(-c2nccn2CCc2ccncc2)c(Cl)c1OC 71761401 OFKPBFCWYRHDTO-UHFFFAOYSA-N 343.814 3.858 0 50 EHAA Cc1noc(C)c1C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 173947642 LWBKMYYZAHBBMF-CYBMUJFWSA-N 333.457 3.891 0 50 EHAA COc1ccccc1OCCN1CCC[C@@H](c2nccn2C(C)C)C1 95363719 NHQLUZNIKDCMNK-QGZVFWFLSA-N 343.471 3.731 0 50 EHAA CC(C)(CN1CCCCC1)NC(=O)N1CC[C@@H]1c1ccc(F)cc1 426474241 KHGTWYHLNQMGQW-QGZVFWFLSA-N 333.451 3.547 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)N1CCCCC[C@@H]1CO 95526284 GGGMJVPISTYKDM-OAHLLOKOSA-N 334.460 3.762 0 50 EHAA Cc1nc(-c2ccc(CC[C@H]3CCS(=O)(=O)C3)cc2)c(C)s1 91364641 ZFNWNFSXQVJGDR-HNNXBMFYSA-N 335.494 3.794 0 50 EHAA CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(Cl)c1C)CC2 91474598 HTSLSUIXJIHZKB-UHFFFAOYSA-N 348.874 3.513 0 50 EHAA O=C1C[C@H](c2nc(CC3CCCC3)no2)CN1c1c(F)cccc1F 293460396 YTCFWUCFAUNVMG-LBPRGKRZSA-N 347.365 3.601 0 50 EHAA Fc1ccc2nc(CCCNc3nccc(-c4ccccn4)n3)[nH]c2c1 97729524 HOSZKUSZUBYWJV-UHFFFAOYSA-N 348.385 3.599 0 50 EHAA Cn1ncnc1CN[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 181242640 XZSWLTDWDSWDGB-CTNGQTDRSA-N 332.451 3.766 0 50 EHAA CN1Cc2cc(-c3cccc(C(=O)N4CCCCC4)c3)ccc2C1=O 1240066860 NBXHASBWMBVUOV-UHFFFAOYSA-N 334.419 3.565 0 50 EHAA C[C@]12CCC(=O)C[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 253596668 USPYDUPOCUYHQL-WQNOVTEVSA-N 332.484 3.776 0 50 EHAA O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nnc(C2CC2)s1 263587758 KWNCMLLXSGQVOP-ZDUSSCGKSA-N 344.465 3.897 0 50 EHAA CCc1nc(C)c(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)o1 299771584 RDLBNEWRCGKYPF-ZDUSSCGKSA-N 339.395 3.706 0 50 EHAA O=C(Nc1ccc(Cc2ccncc2)cc1)c1nccc2cccnc12 1357468607 HQHYALGBVJSBMN-UHFFFAOYSA-N 340.386 3.868 0 50 EHAA COc1cc(Cl)c(CNCc2ccc3nsnc3c2)cc1OC 952866681 DISLCPOZQZNYSN-UHFFFAOYSA-N 349.843 3.652 0 50 EHAA Cc1ccc(NC(=O)c2ccn(C(C)C)n2)cc1NC(=O)C(C)C 952984841 SYOOBYZOJXLUJH-UHFFFAOYSA-N 328.416 3.619 0 50 EHAA COc1ccc([C@H](O)[C@H](C)NC[C@@H](C)CCc2ccccc2)cc1 222159209 IGRHVBKHDHJSGM-XGHQBKJUSA-N 327.468 3.976 0 50 EHAA Nc1ccc2c(NCC(c3ccccc3)c3ccccc3)ncnc2n1 301791084 QVGKIXZATURADA-UHFFFAOYSA-N 341.418 3.851 0 50 EHAA Fc1ccc([C@H]2CN(c3nc4ccccc4[nH]3)CCO2)cc1Cl 301855354 CQDMSUKGERJCSY-MRXNPFEDSA-N 331.778 3.933 0 50 EHAA Cc1nccnc1[C@@H](C)NCC1(c2ccc(Cl)cc2)CCOCC1 187870053 XZRALEUPZDEYTE-OAHLLOKOSA-N 345.874 3.837 0 50 EHAA COc1cc(C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)ccc1OC(C)C 189054905 VACTYFGBQVPYML-QAPCUYQASA-N 349.471 3.663 0 50 EHAA CCC[C@@H]1CN(C(=O)Nc2cc(F)ccc2OCC2CC2)CCO1 191752968 OFIOSPDLUPSIDL-OAHLLOKOSA-N 336.407 3.647 0 50 EHAA Cc1cccc([C@@H](O)CNC(=O)c2c[nH]cc2-c2ccccc2F)c1 787445236 ZDOIGCLROUOCMY-IBGZPJMESA-N 338.382 3.593 0 50 EHAA CC(C)c1noc(C2CCN(c3noc(-c4ccccc4)n3)CC2)n1 1704312548 UUIZSMMQGJZTKC-UHFFFAOYSA-N 339.399 3.627 0 50 EHAA Cc1ccc2[nH]c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1 14079897 XBVRKNFKXKYINZ-UHFFFAOYSA-N 332.454 3.675 0 50 EHAA Cc1ccc(C(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1 169754787 CUBZNTQPAPUNLW-UHFFFAOYSA-N 327.428 3.596 0 50 EHAA Cc1ocnc1C(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 151515962 JNVFTMZEITUCGG-MRXNPFEDSA-N 326.396 3.641 0 50 EHAA CC(C)(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H](N)CC2)C[C@@H](c2ccccc2)O1 1857722788 OAKMUASZXRGAHG-ZSYWTGECSA-N 344.499 3.519 0 50 EHAA O=C(Nc1n[nH]c2cc(F)cc(F)c12)c1cc(-c2ccccc2)no1 1875251375 CMMQLGNEHZSUAZ-UHFFFAOYSA-N 340.289 3.748 0 50 EHAA Cc1nc2cc(F)ccc2cc1C(=O)N1CCCC[C@@H]1CCC(=O)O 237745257 HFAIRAMCNAZVNZ-OAHLLOKOSA-N 344.386 3.542 0 50 EHAA CC(C)(C)Cc1csc(NC(=O)c2coc(C3CCOCC3)n2)n1 252493650 NFCJUIFJQKQUDX-UHFFFAOYSA-N 349.456 3.866 0 50 EHAA C[C@@H](C1CCCCC1)N(C)C(=O)NCc1nnc(C(C)(C)C)s1 252499323 RYTKYKLPKKVSKA-LBPRGKRZSA-N 338.521 3.946 0 50 EHAA Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@@H]3CNC[C@@H]32)c1 575970382 MQMPLMPOBBHSMX-QAPCUYQASA-N 337.423 3.613 0 50 EHAA CCn1ncc2c1CCC[C@H]2NC(=O)c1c[nH]cc1Cc1ccccc1 934077672 OWCAHTAGUKBEEE-LJQANCHMSA-N 348.450 3.629 0 50 EHAA COc1ccccc1OCc1nnc(CCOc2cccc(C)c2)o1 952988961 XIMOHTWJHAMQKP-UHFFFAOYSA-N 340.379 3.587 0 50 EHAA Cn1cc(-c2ccc(F)c(C(=O)N[C@@H]3C[C@@H]3C3CCCC3)c2)cn1 1875272398 YCUQFVPBGIKVAH-CRAIPNDOSA-N 327.403 3.535 0 50 EHAA O=C(NCc1cc(C2CC2)on1)Nc1ccccc1N1CCCCC1 1875320041 DKYGATPCXFLODU-UHFFFAOYSA-N 340.427 3.864 0 50 EHAA Cn1cc(-c2cnc(Nc3cccc(C(F)(F)F)c3)nc2)ccc1=O 1875326639 RALMVGXHDDQYCU-UHFFFAOYSA-N 346.312 3.605 0 50 EHAA C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1Cl)C1CC(F)(F)C1 1875308588 MWOXHTCRNDBIAQ-VIFPVBQESA-N 339.773 3.894 0 50 EHAA COC[C@@H](C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 94750 BEROLCBHSQTCMV-MRVPVSSYSA-N 343.210 3.722 0 50 EHAA CN1CCN(c2ncc(-c3ccccc3)cn2)[C@@H](Cc2ccccc2)C1 2325859838 MNKDBWFOZUGVJZ-NRFANRHFSA-N 344.462 3.507 0 50 EHAA CC(C)N(C(=O)Cn1c([C@@H](C)O)nc2ccccc21)c1ccccc1 441163 WYQAGTZIMYMYGJ-OAHLLOKOSA-N 337.423 3.531 0 50 EHAA CCCC(=O)Nc1ccccc1NC(=O)COc1cccc(C)c1 468176 QWVJRCQEVZKTTF-UHFFFAOYSA-N 326.396 3.751 0 50 EHAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2cccs2)cs1 816577 VCETXPQBXFFOCP-NXEZZACHSA-N 336.438 3.701 0 50 EHAA aggregator COc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)[nH]c2c1 4274531 PQPVEHZAONEVLR-UHFFFAOYSA-N 341.436 3.919 0 50 EHAA COc1ccc2[nH]c(CN3CCC[C@H](N4CCCC4)C3)c(C)c2c1 20783605 DCQLOKRQUVJICW-INIZCTEOSA-N 327.472 3.545 0 50 EHAA Cc1ccc2cc(CN(Cc3ccc(O)cc3)C3CC3)c(=O)[nH]c2c1 67490730 DGNFCXYNIWZZKD-UHFFFAOYSA-N 334.419 3.707 0 50 EHAA CC[C@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccccc2F)N1 4722191 VAQVKRCFHSPLML-INIZCTEOSA-N 335.835 3.941 0 50 EHAA CN(Cc1ccc2cccc(O)c2n1)Cc1cc(-c2cccnc2)no1 67688609 LWNWYYIVXQWZDW-UHFFFAOYSA-N 346.390 3.622 0 50 EHAA CC(C)=CCN1CCC(n2nccc2NC(=O)c2ccccc2)CC1 12387473 RILOLMXTRWSTGY-UHFFFAOYSA-N 338.455 3.739 0 50 EHAA CCc1noc([C@@H](C)N(C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)n1 328593553 IHIJGEMPXNATMJ-CABCVRRESA-N 348.516 3.517 0 50 EHAA O=C1CC[C@@]2(CCCO2)CCN1Cc1ccc(C(F)(F)F)c(F)c1 72122314 ARFCILRIRADURD-INIZCTEOSA-N 345.336 3.906 0 50 EHAA COc1cccc([C@@H]2CCCCN2C(=O)CSc2ccncc2)c1 218989425 NGYKDDMFVZLNSY-SFHVURJKSA-N 342.464 3.936 0 50 EHAA COc1ncccc1C(=O)N1CCC(Sc2ccccc2C)CC1 77391563 CADGUMSNOOGNKG-UHFFFAOYSA-N 342.464 3.796 0 50 EHAA CC[C@@H](Nc1nc(C(C)C)nc2c1cnn2C)c1ccc(O)cc1 72163364 ZJOLLLGYUSHRHB-OAHLLOKOSA-N 325.416 3.756 0 50 EHAA CC[C@H](NC(=O)N[C@@H]1CCO[C@H]1c1ccccc1)c1nc(C)cs1 239367167 AHWGYVNQDNWTDU-XHSDSOJGSA-N 345.468 3.732 0 50 EHAA O=C(c1c(O)cccc1O)N1CCC[C@@H](CCc2ccccc2F)C1 71776261 LZAGNXFMBJQVHX-AWEZNQCLSA-N 343.398 3.722 0 50 EHAA Cc1ccc(NC(=O)NC2CCN(C3CCCCC3)CC2)c(C)n1 176736969 YSQNMXKYMMRPCS-UHFFFAOYSA-N 330.476 3.617 0 50 EHAA CCCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 17068643 FECRNGKEKWFMBX-CQSZACIVSA-N 333.453 3.687 0 50 EHAA CCn1nncc1CN[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 459405819 NSCWDARVHVBZKI-ZDUSSCGKSA-N 341.484 3.889 0 50 EHAA CCc1nocc1CN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 294246828 VYTXBSJBWODFHY-UHFFFAOYSA-N 337.423 3.869 0 50 EHAA CCCNC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 91587151 DDEVSTFYXXKVTA-INIZCTEOSA-N 344.434 3.734 0 50 EHAA C[C@@H]1CN(Cc2nn(C)c3cccc(Cl)c23)CC[C@@]1(O)C1CCC1 91574256 DTCPLJMSTHCCCM-YJYMSZOUSA-N 347.890 3.600 0 50 EHAA COCCC[C@H]1CCCN(C(=O)CCc2ccc(F)cc2F)C1 91695381 BZFUPSADLAEYQH-CQSZACIVSA-N 325.399 3.563 0 50 EHAA CC(C)COc1ccc(NC(=O)N(C)CCCc2nccn2C)cc1 97393957 XKCHWVDWYBNIJG-UHFFFAOYSA-N 344.459 3.551 0 50 EHAA Cc1cc(C)cc([C@@H]2CCN(C(=O)Nc3cnn(CC(F)F)c3)C2)c1 183754984 SIFAYLBHAZZHQQ-CQSZACIVSA-N 348.397 3.786 0 50 EHAA CCOCc1cc(CNc2cccc3c2OCC[C@H]3O)ccc1OC 184061754 RRUFWBVZFYMDQH-GOSISDBHSA-N 343.423 3.660 0 50 EHAA CCCCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](C)N(C)C 534649555 ZETSORVGBGGYFF-CQSZACIVSA-N 325.884 3.602 0 50 EHAA Cc1ccccc1CSCC(=O)N[C@@H]1COC2(CCCCC2)C1 299794889 NQILNWCMLLLUMI-KRWDZBQOSA-N 333.497 3.836 0 50 EHAA CN(CCC[C@@H]1CCCO1)C(=O)NCc1ccc2c(c1)CCCC2 584897584 YPRGVXWMGSYWCP-LJQANCHMSA-N 330.472 3.666 0 50 EHAA NC[C@@H]1CCC[C@H]1NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 170048434 PBYTXVZQHWVBSU-XHDPSFHLSA-N 341.282 3.659 0 50 EHAA COC(=O)c1[nH]ccc1OCc1cc(-c2ccc(Cl)cc2)no1 170616277 PHPRFXVFCDWSRK-UHFFFAOYSA-N 332.743 3.689 0 50 EHAA CC(C)c1nc(/C=C/c2ccc(F)c([N+](=O)[O-])c2)ncc1C(=O)O 170618331 QVPLEZOWYHTKEM-GQCTYLIASA-N 331.303 3.516 0 50 EHAA COc1ccc2nc(CN3CCC[C@@H](N4CCCC4)CC3)sc2c1 187067056 RXDREEDNWRFCDM-OAHLLOKOSA-N 345.512 3.755 0 50 EHAA O=C(NCCSC(F)(F)F)[C@@H]1CCCc2c1[nH]c1ccccc21 1506341797 MNPQFSJSYFTHFK-GFCCVEGCSA-N 342.386 3.957 0 50 EHAA CN(Cc1cccc(F)c1C(F)(F)F)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529106947 VNSUXURIEQUMLY-KPWCQOOUSA-N 331.353 3.826 0 50 EHAA O=C(Cc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1 6700492 XMELLZLNYDJDBW-UHFFFAOYSA-N 330.185 3.507 0 50 EHAA O=C(c1cn(C2CCCCC2)nn1)N1CCCC[C@H]1c1ccccn1 11667858 CCWNIAWRLOOVCQ-SFHVURJKSA-N 339.443 3.546 0 50 EHAA Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3NCc2cccnc2)c1 12306874 PCWWVQJOPSEUCC-GOSISDBHSA-N 340.377 3.713 0 50 EHAA CC(C)[C@H]1CN(C(=O)c2ccc(O)cc2)C[C@@H](c2ccccc2)O1 1875249595 HORUPIJDEQNHKU-MOPGFXCFSA-N 325.408 3.631 0 50 EHAA Cc1cc(Cl)ccc1Cn1cc(C[C@](C)(O)c2cccs2)nn1 900607523 MJGGTANTCRCTMB-KRWDZBQOSA-N 347.871 3.800 0 50 EHAA COc1cccc([C@H]2CCN(c3ncnc4ccccc34)C2)c1OC 1875379335 QLURWAMBQAQLRH-AWEZNQCLSA-N 335.407 3.641 0 50 EHAA C/C(=C\c1ccccc1C(F)(F)F)CN[C@H]1CCC[C@H]1C(=O)O 2325762474 HFSGIYKFMLGAHE-DMRRBVLHSA-N 327.346 3.952 0 50 EHAA C[C@H](F)CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2F)CC1 2325874380 KMCDJDPYFUFILE-HNNXBMFYSA-N 344.405 3.609 0 50 EHAA C[C@H]1C[C@H](C)CN(CCC(=O)Nc2ccc(Br)cc2)C1 257475 KYMDWKGHAZIHNA-STQMWFEESA-N 339.277 3.756 0 50 EHAA in-vitro CCc1c(C)sc(NC(=O)Cc2ccc(Cl)cc2)c1C(N)=O 375869 ZXRXSPXOXIQGRZ-UHFFFAOYSA-N 336.844 3.552 0 50 EHAA Nn1c(SCc2ccccc2F)nnc1-c1ccc(Cl)cc1 530764 LTSJTUMQOPAFRP-UHFFFAOYSA-N 334.807 3.744 0 50 EHAA CN(C)CCCN(CCCN(C)C)Cc1cccc2ccccc12 2498288 BOBWYSLBDFVSAQ-UHFFFAOYSA-N 327.516 3.545 0 50 EHAA OCc1cn(-c2ccccc2F)nc1-c1ccc(Br)cc1 2544742 VKLUFPIHISFOJK-UHFFFAOYSA-N 347.187 3.933 0 50 EHAA CCN(C[C@H](O)COCc1ccc(Cl)cc1)C1CCCCC1 3277104 UDGVNVUFJGOZDT-SFHVURJKSA-N 325.880 3.872 0 50 EHAA Cc1cc(C)cc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 6697280 TXSJMGPVUQBPRW-UHFFFAOYSA-N 341.798 3.937 0 50 EHAA CCCC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 6703895 NULQJPAFYZLHIV-UHFFFAOYSA-N 346.452 3.843 0 50 EHAA Cc1cc(C)c(C(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)o1 15064285 SKYWRNSLUJCSFD-LJQANCHMSA-N 340.467 3.676 0 50 EHAA COc1ccc(-c2nc(CN3CCSCC3)c(C)o2)c(OC)c1C 15074751 WFGLFBCCNXKOCM-UHFFFAOYSA-N 348.468 3.524 0 50 EHAA Cc1cnccc1CN(C)c1ccc(-c2nc(CC(C)C)no2)cn1 20149052 FQNRAUNWMOSCCR-UHFFFAOYSA-N 337.427 3.670 0 50 EHAA O=C(c1ccccc1-n1cccc1)N1CCO[C@@H](c2ccccc2)C1 20724527 BXLLSDZTCLVVRB-HXUWFJFHSA-N 332.403 3.691 0 50 EHAA O=C(c1ccsc1)N1CCCN(CCCc2ccccc2)CC1 54363436 RSDOAROCRSQPBA-UHFFFAOYSA-N 328.481 3.529 0 50 EHAA COC(=O)c1cccc(CN(Cc2sccc2C)CC(C)C)n1 55393719 AUIUBPZHHFMSTI-UHFFFAOYSA-N 332.469 3.896 0 50 EHAA CC(=O)c1[nH]c(C)c(C(=O)N2CCCC[C@@H]2c2cccnc2)c1C 65436277 HWECYFXMBZJEMU-MRXNPFEDSA-N 325.412 3.597 0 50 EHAA COc1ccc2c(CN(C)[C@@H](C)c3nc(C)sc3C)n[nH]c2c1 72133672 SFSNGTNQAQQMBW-JTQLQIEISA-N 330.457 3.838 0 50 EHAA COCCC[C@H]1CCCN(Cc2cnc(-c3cccs3)nc2)C1 77455557 CWCOLESCYBDSTD-OAHLLOKOSA-N 331.485 3.844 0 50 EHAA C[C@@H](CC(=O)N1CCC(CCc2ccccc2)CC1)n1ccnc1 91713906 HGJYQTKOVUBSPH-KRWDZBQOSA-N 325.456 3.706 0 50 EHAA C[C@]1(c2ccccc2)CCCN(c2ncccc2C(=O)N2CCCC2)C1 91873369 DMSRRCUBIBKCRH-QFIPXVFZSA-N 349.478 3.876 0 50 EHAA CC(C)(C)n1ccc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)c1 95392966 VTNSOJXLXNGCQT-UHFFFAOYSA-N 343.446 3.735 0 50 EHAA O=C(Nc1cccc(Cl)c1)N1CCC[C@H](OCc2ccccn2)C1 96138443 ZZQCEOWYDYJCOD-KRWDZBQOSA-N 345.830 3.948 0 50 EHAA Cc1n[nH]c(C)c1CCC(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 118378055 YKVROQNFFPPFOV-KXBFYZLASA-N 343.496 3.664 0 50 EHAA O=C(c1cc[nH]c1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 124802781 CRFKUPAQWOSARK-GFCCVEGCSA-N 325.195 3.615 0 50 EHAA O=C(Cc1ccc(Cl)cc1)NC[C@@H](O)c1ccc(Cl)c(F)c1 155248118 XQMUVBJHZTYWFD-OAHLLOKOSA-N 342.197 3.525 0 50 EHAA CC[C@@H]1CCCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 156370718 KNGHLWLCBLIWJO-CQSZACIVSA-N 332.419 3.605 0 50 EHAA CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)c1cn(C)nc1C 172598810 OYRARGWSUGSERZ-NHYWBVRUSA-N 332.473 3.570 0 50 EHAA O=C1CCCc2c(OCc3nc(-c4ccsc4)no3)cccc21 174205117 KXXVWZPBRCODTC-UHFFFAOYSA-N 326.377 3.896 0 50 EHAA CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1c(C)c(C(F)(F)F)nn1C 183946025 FIMDCYYDSGSYNS-RYUDHWBXSA-N 347.381 3.671 0 50 EHAA C[C@@H](C(=O)Nc1ccc2nnc(C3CCC3)n2c1)c1cccc(F)c1 187189120 OWCQPWCDHTZDJC-GFCCVEGCSA-N 338.386 3.878 0 50 EHAA CC(C)c1nnsc1CNC(=O)CCc1nc2ccccc2s1 215279522 MKDCNMNQLGDYSQ-UHFFFAOYSA-N 346.481 3.520 0 50 EHAA O=C(CSc1ccccn1)NCCCc1nc2ccccc2s1 218923080 AKZBTYOZEMAIHQ-UHFFFAOYSA-N 343.477 3.532 0 50 EHAA O=C(c1ccc(-c2cccc(F)c2)cc1)N1CCC[C@]2(CCNC2)C1 219909344 BDPLFPLCUWJOPA-OAQYLSRUSA-N 338.426 3.708 0 50 EHAA Cc1sc2nc([C@H]3CSc4ccccc4O3)[nH]c(=O)c2c1C 225663261 NZTFCEOFUWOOMG-LLVKDONJSA-N 330.434 3.827 0 50 EHAA Cc1ccc(-c2ccccc2NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)o1 239439070 ZJSKTJDQFHRUOK-DSIZOQBWSA-N 337.375 3.716 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)N[C@H](C)c1ccccc1 245227528 IQKSRPUGWPQFJW-FIFHEGHSSA-N 327.424 3.557 0 50 EHAA Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2F)c1 253599776 UUHBCEFEYZSCEL-SZMVWBNQSA-N 341.430 3.515 0 50 EHAA CSc1ccccc1-c1cccc(C(=O)N2CCC[C@@H](N)C2)c1 299757288 KLXRGUVGYXVFLM-MRXNPFEDSA-N 326.465 3.639 0 50 EHAA Oc1ccc(Br)c(CN2CCO[C@@H](c3ccccc3)C2)c1 349802014 RYWCMWKYRVRPJS-QGZVFWFLSA-N 348.240 3.728 0 50 EHAA C[C@H]1NCCC[C@@H]1C(=O)Nc1c(F)cccc1Oc1ccccc1 423164645 OQZTUSPOBKPIRU-HIFRSBDPSA-N 328.387 3.945 0 50 EHAA COc1ccc(CCNC(=O)N2CCCC[C@H]2c2ccccn2)cc1 426472741 MFKXACUUQVBZRQ-IBGZPJMESA-N 339.439 3.570 0 50 EHAA CC[C@H](C(=O)N(C)Cc1ccc(OC)c2ccccc12)N(C)CC 822541571 GPZOEAYEFGBBLL-GOSISDBHSA-N 328.456 3.537 0 50 EHAA CSc1nc(C(=O)Nc2cccc(CN3CCCC3)c2)cs1 824961863 HTOYMRQATGOXMV-UHFFFAOYSA-N 333.482 3.713 0 50 EHAA CCn1ncc2c1CCC[C@@H]2NC(=O)c1c[nH]cc1Cc1ccccc1 934077670 OWCAHTAGUKBEEE-IBGZPJMESA-N 348.450 3.629 0 50 EHAA O=C(C[C@H](Cc1ccccc1)c1ccco1)NCc1cscn1 952966384 SYOBSNYGNQTMQP-HNNXBMFYSA-N 326.421 3.769 0 50 EHAA CC1=CC2(CCN(C(=O)c3ccc4ncsc4c3)CC2)OCC1 1704330961 MJVZJWQMYZRJPJ-UHFFFAOYSA-N 328.437 3.638 0 50 EHAA C[C@@H](CCCC(C)(C)O)Nc1noc(-c2ccccc2)c1C(=O)O 1704337543 WRQPDBPTIMOUPK-LBPRGKRZSA-N 332.400 3.781 0 50 EHAA Fc1ccc(F)c(CN2C[C@H]3CNC[C@]3(CCc3ccccc3)C2)c1 1772711959 YYSAUXRNMVBKDH-WIYYLYMNSA-N 342.433 3.619 0 50 EHAA Cc1nc(N2CCCC2)c2c(n1)C1(CC2)CCN(C2CCCC2)CC1 1857691112 ZGFPOIWIWPMJSJ-UHFFFAOYSA-N 340.515 3.608 0 50 EHAA Cc1ccc2nc(-c3ccco3)cc(C(=O)N[C@@H]3[C@H]4CCOC[C@H]43)c2c1 1875278641 QZTNSLABFOURBO-GQWAEJPESA-N 348.402 3.568 0 50 EHAA CC(C)Oc1ccccc1CNc1ccc2[nH]nc(C(=O)O)c2c1 1875301641 NXJDJFMIZZDPLZ-UHFFFAOYSA-N 325.368 3.660 0 50 EHAA C[C@H](c1ccccc1Cl)N1CCC[C@H](NC(=O)c2cccnc2)C1 1875302871 KQQDUORGLUGVDT-ZBFHGGJFSA-N 343.858 3.690 0 50 EHAA Cc1cc(F)sc1C(=O)NC[C@@H]1C[C@@]12CCOc1ccccc12 1875308299 ZFQYLSOPEDNHEZ-SGTLLEGYSA-N 331.412 3.666 0 50 EHAA COc1ccc(C(=O)NCC(=O)c2ccc(-c3ccccc3)cc2)cc1 146815 LDPLWWLNUMXSKE-UHFFFAOYSA-N 345.398 3.975 0 50 EHAA NC(=O)C1CCN(c2nc(-c3cccc4ccccc34)cs2)CC1 269724 YLLOLSCPHATDCQ-UHFFFAOYSA-N 337.448 3.665 0 50 EHAA CC(C)CNC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 312576 ABGVHOHZXJXZOH-UHFFFAOYSA-N 344.842 3.907 0 50 EHAA CC(C)N(C)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 2180591 TXWCAMLCIYPAGQ-UHFFFAOYSA-N 325.452 3.876 0 50 EHAA CCCCN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2C)C1=O 2813289 LPGXZWLUBOXDPB-GDNBJRDFSA-N 335.425 3.849 0 50 EHAA COc1ccc(NC(=O)c2cccnc2NCc2ccccc2)cc1 6645323 SYHLELNHXYQFBX-UHFFFAOYSA-N 333.391 3.955 0 50 EHAA CCOc1ccccc1NC(=O)Nc1ccc(Br)cn1 6715685 WBHCIPFIGGQTPZ-UHFFFAOYSA-N 336.189 3.887 0 50 EHAA CC(C)Oc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 6715903 OWUFBLROUGQWNV-UHFFFAOYSA-N 342.414 3.575 0 50 EHAA COCCN(C/C=C/c1ccccc1)Cc1ccc(C(=O)O)cc1 55325642 RSHQIMIASFZYFR-VMPITWQZSA-N 325.408 3.547 0 50 EHAA O=C(Nc1ccc(I)cc1)[C@H]1C[C@H]2CC[C@H]1C2 101636298 RMJLDYIDIPREBF-KWBADKCTSA-N 341.192 3.666 0 50 EHAA Cc1nn(-c2ccccc2)c(C)c1-c1ccnc(N2C[C@H]3CC[C@H]2C3)n1 102562388 ZPZWQQJNYOMNMC-WMZOPIPTSA-N 345.450 3.935 0 50 EHAA COc1ccc(CN2CCN(c3ccccc3Cl)CC2)c(OC)c1 55543089 VVMREUIIUWMAFF-UHFFFAOYSA-N 346.858 3.679 0 50 EHAA CC(=O)Nc1cccc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 229351974 OPNIRPSCAOHBSL-NHCUHLMSSA-N 338.451 3.733 0 50 EHAA COc1ccc([C@@H]2C[C@@H](C)N(C[C@@H](C)Cn3ccnc3C)C2)cc1 229970321 VKEKHRYWWSAWLS-FRQCXROJSA-N 327.472 3.714 0 50 EHAA CCc1c(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)[nH]c(C)c1C(C)=O 121326020 ZDRRFDRZBKGUMU-YTQUADARSA-N 336.435 3.546 0 50 EHAA COc1ccc(C(=O)Nc2c(F)c(F)cc(F)c2F)cc1OC 2762577 NYZDGXQANCHBQQ-UHFFFAOYSA-N 329.249 3.513 0 50 EHAA O=C(Nc1cccc(Cn2cccn2)c1)c1cc(-c2ccccc2)on1 2795459 BHUFIJAGGAPCNT-UHFFFAOYSA-N 344.374 3.839 0 50 EHAA COC(=O)C[C@@H](NC(=O)c1cccs1)c1ccc(C(C)C)cc1 4050706 HPDFXUGVJBDBDZ-OAHLLOKOSA-N 331.437 3.906 0 50 EHAA O=C([C@H]1CSCCS1)N(Cc1cccnc1)c1ccc(F)cc1 122640950 ZSXMVNGBUGSVJL-MRXNPFEDSA-N 348.468 3.603 0 50 EHAA CC[C@H](OC(=O)CCC1CCCC1)C(=O)Nc1ccc(OC)cc1 328592442 KRUOKZZRQXMDIR-KRWDZBQOSA-N 333.428 3.926 0 50 EHAA CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1ccc2ncccc2c1 123053966 WUJRTYZPWPCVED-UHFFFAOYSA-N 342.402 3.897 0 50 EHAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C1 77406041 JMOBWKRVOGTFDO-GOSISDBHSA-N 346.434 3.800 0 50 EHAA Cc1csc([C@@H]2CN(C(=O)c3cc4ccccc4s3)CCO2)n1 253392544 BJRXCCWNLGVAPK-ZDUSSCGKSA-N 344.461 3.880 0 50 EHAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)o1 253419235 IEVYNDXBGZEVQM-SJKOYZFVSA-N 344.459 3.796 0 50 EHAA COc1cnc(CN2CCC[C@H](CCc3ccc(F)cc3)C2)cc1O 72143106 DXVLPYIZZMQKIA-MRXNPFEDSA-N 344.430 3.780 0 50 EHAA CC(=O)N[C@H](CC(=O)N1CC[C@H]2CCCC[C@H]2C1)c1ccc(C)cc1 239654048 BMNFGCUXSKPHTF-YZGWKJHDSA-N 342.483 3.601 0 50 EHAA CCCCOc1ccccc1CNCc1cccc(C(=O)NC)c1 128812755 XAEKCTMDTLLMKU-UHFFFAOYSA-N 326.440 3.515 0 50 EHAA COc1cc2c(cc1Cn1ccnc1[C@H]1CC=CCC1)OCCO2 77469910 WHJMQQRUBGWKQD-AWEZNQCLSA-N 326.396 3.535 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N[C@@H]2CCc3ccccc3C2)c1 72473754 HRQASHRATSNLCK-HXUWFJFHSA-N 337.463 3.677 0 50 EHAA Cc1ccccc1CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 44932064 UBZFMRNYQLTPFC-UHFFFAOYSA-N 340.442 3.663 0 50 EHAA COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1cnc(C)nc1C 286711361 CPNBLQBHTSALPK-FZKQIMNGSA-N 339.439 3.715 0 50 EHAA CCC[C@]1(CO)CCN(Cc2csc(-c3ccccc3F)n2)C1 288961051 YENYNUCJJKMRDI-SFHVURJKSA-N 334.460 3.934 0 50 EHAA Cc1cc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)c(C)n1C 222317213 YZEUHQWUOWPXNH-SFHVURJKSA-N 340.467 3.975 0 50 EHAA CC(C)C[C@@H]1C(=O)NCCCN1C(=O)Nc1cccc2ccccc12 292849956 RAUXOGDBJVOXLM-GOSISDBHSA-N 339.439 3.608 0 50 EHAA O=C(c1cc(=O)[nH]c2ccccc12)N1CC=C(c2ccc(F)cc2)CC1 91351037 YSIVPWCBQLVDEX-UHFFFAOYSA-N 348.377 3.597 0 50 EHAA CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2nnc3ccccn23)C1 91621013 AWRQDVDJIMZINT-IBGZPJMESA-N 326.444 3.604 0 50 EHAA CCCc1nc(C(=O)N2CCN(c3ccccc3Cl)CC2)cs1 92061615 CPRKDUOPOYNHHX-UHFFFAOYSA-N 349.887 3.711 0 50 EHAA Cc1[nH]c2c(C(=O)N(C)C[C@@H]3CCN(C)C3(C)C)cccc2c1C 96166419 XLXDSMLMMZLMDC-HNNXBMFYSA-N 327.472 3.587 0 50 EHAA Cc1nc(C(=O)Nc2cc(F)cc(F)c2)nn1-c1cccc(Cl)c1 252491652 LPNOPQRWZFHNOU-UHFFFAOYSA-N 348.740 3.760 0 50 EHAA CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@H]2OCCc3ccccc32)o1 299739021 JPVIKQBTHVOQIC-JYJNAYRXSA-N 328.412 3.650 0 50 EHAA CCn1nc(C2(c3ccccc3)CC2)nc1-c1ccc(CN(C)C)o1 823599581 DBWLHKOWELAHBF-UHFFFAOYSA-N 336.439 3.700 0 50 EHAA CCCn1c(C)nc2cc(NC(=O)CCc3c(C)noc3C)ccc21 823024283 NMRDQPBAVIJKSR-UHFFFAOYSA-N 340.427 3.931 0 50 EHAA NCc1cccc(C(=O)NCc2ccc(OCc3ccccc3)cc2)c1 239367089 AHJJTWAUEIPSGI-UHFFFAOYSA-N 346.430 3.654 0 50 EHAA Cc1nn(C)c2ncc(C(=O)N3CC[C@@H](C)C4(CCCCC4)C3)cc12 274302901 QZWGGUVJEYCVFG-CQSZACIVSA-N 340.471 3.709 0 50 EHAA Cn1cncc1[C@@H]1C[C@H](N[C@H]2CCC[C@H]2Cc2ccccc2)CCO1 275400039 CLRJBYOEJJFQLX-JTJHWIPRSA-N 339.483 3.641 0 50 EHAA CCOC(=O)/C(=C/c1ccc(Br)cc1)c1ccccn1 170605422 UOUVIQDZEIDKFX-SDNWHVSQSA-N 332.197 3.948 0 50 EHAA O=C(CCc1c[nH]cn1)N1CCc2ccccc2[C@H]1Cc1ccccc1 189545191 ZJKADFFRTDOZMZ-OAQYLSRUSA-N 345.446 3.711 0 50 EHAA C[C@@H](SC1=NCCS1)C(=O)N1CCC[C@@H]1c1cccs1 193293391 VWBRZAPXWOTZML-GHMZBOCLSA-N 326.512 3.636 0 50 EHAA C[C@@H](NC(=O)c1onc2c1CCCC2)c1ncc(-c2ccccc2)o1 669043034 RQAJYRKXYGPGQX-GFCCVEGCSA-N 337.379 3.699 0 50 EHAA O=C(/C=C/c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1 107824 UKFRNGSKWWRSQT-RMKNXTFCSA-N 344.817 3.841 0 50 EHAA Cc1oc2c(c1C(=O)Nc1cnn(Cc3ccccc3)c1)C(=O)CCC2 1506420813 KPKBUAWBQRUZHM-UHFFFAOYSA-N 349.390 3.604 0 50 EHAA CCCOc1ccccc1-c1nnc(N[C@H](C)CCn2cccn2)o1 1772705391 SIFUEJPVOSGCDN-CQSZACIVSA-N 341.415 3.613 0 50 EHAA COc1ccc2c(c1)C[C@H](N1CCC(c3ccnc(O)c3)CC1)CC2 1772813254 YUUKNDGMUYATGB-LJQANCHMSA-N 338.451 3.533 0 50 EHAA CN(C)CCOC(=O)[C@@H](C[C@H]1CCCO1)c1cccc2ccccc12 5674776 WINDMCCYDFPNPV-XLIONFOSSA-N 341.451 3.597 0 50 EHAA CCOc1cc(CN2Cc3ccccc3O[C@H](C)C2)ccc1OC 11970987 WTKCXQUHBJWFNJ-OAHLLOKOSA-N 327.424 3.877 0 50 EHAA Cc1c(CN2CCC[C@@H](C(=O)c3cccc4ccccc34)C2)cnn1C 15066066 ITRAQJQOSKMRFZ-GOSISDBHSA-N 347.462 3.977 0 50 EHAA Cc1nnc(-c2cccc(NC(=O)c3cc(Cl)cc(F)c3N)c2)o1 225560469 IZHMBUDNWVLZCC-UHFFFAOYSA-N 346.749 3.672 0 50 EHAA O=S(=O)(Nc1ccnn1C1CCCC1)c1cscc1C(F)F 901882671 KJRIJQQANGFGCO-UHFFFAOYSA-N 347.412 3.798 0 50 EHAA C[C@@H]1Cc2c(Cl)cccc2[C@@H]1NC(=O)C1CCC(C(=O)O)CC1 1875286114 GKHVDMGRRPOPIJ-OOIBFCDDSA-N 335.831 3.581 0 50 EHAA CSc1ccc(Cl)c(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1 1772715664 JNQGFFYXGPPHED-GFCCVEGCSA-N 345.848 3.582 0 50 EHAA COc1ccc(CCNc2nc(-c3ccncc3)cs2)cc1OC 613392 WZIHWUONKFTQRZ-UHFFFAOYSA-N 341.436 3.877 0 50 EHAA O=C(Cn1ccnc1)N[C@H](Cc1ccccc1)c1ccc(Cl)cc1 2325737081 YGNVNQUVZNWNRB-GOSISDBHSA-N 339.826 3.637 0 50 EHAA c1ccc(CNc2cccc(-c3cn([C@@H]4CCCNCC4)nn3)c2)cc1 2325777163 JBTFUQIHJMHYBZ-HXUWFJFHSA-N 347.466 3.872 0 50 EHAA CC(C)(C)c1ccnc(CN2CCC(CC(F)F)(C(=O)O)CC2)c1 2325791932 KIMXEQSPXLKPMZ-UHFFFAOYSA-N 340.414 3.701 0 50 EHAA COc1cccc(CCOC(=O)c2cncc3ccc(F)cc23)c1 2325855710 MCPQORHBUSIOJD-UHFFFAOYSA-N 325.339 3.782 0 50 EHAA CN1C[C@@H](NC(=O)Nc2ccc3c(c2)C=CCCC3)CC12CCC2 2325874095 APTOUIJVSZNZCB-SFHVURJKSA-N 325.456 3.784 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 119144 GTHVIIUSEWQUFT-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA CCOc1cccc(C(=O)NC(=S)Nc2cc(C)c(C)cc2O)c1 456223 GMFHIFAJKQNWNP-UHFFFAOYSA-N 344.436 3.535 0 50 EHAA CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 2031574 YPRDTAIQBBNZTJ-UHFFFAOYSA-N 337.375 3.753 0 50 EHAA COc1ccc(-c2ncccc2-c2nccn2C[C@@H](C)OC)cc1F 2356161843 MLAQHEGFJRLXRZ-CYBMUJFWSA-N 341.386 3.795 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccccc2CNC(C)(C)C)cc1 3893863 CQUMXDIAJBKLEZ-UHFFFAOYSA-N 332.469 3.684 0 50 EHAA C/C=C/c1ccc(OCCOCCN2CCC[C@H](C)C2)c(OC)c1 4907384 PHCMBIKQAUYXTM-YXMMZVCTSA-N 333.472 3.856 0 50 EHAA COc1ccc(-c2cnn3c(C(F)(F)F)cc(C)nc23)cc1OC 6690914 OCENLKAINUFSBT-UHFFFAOYSA-N 337.301 3.741 0 50 EHAA CCc1ccc(-n2nnc(C(=O)N3CCCc4ccccc43)c2C)cc1 8021733 ULRMOAQRIPPLDH-UHFFFAOYSA-N 346.434 3.731 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2cccc(C)n2)c2ccccc12 8714952 AHAJIHVGRWGFMW-UHFFFAOYSA-N 342.420 3.743 0 50 EHAA O=C(C[C@H]1OCCc2ccccc21)N(Cc1ccco1)c1ccccn1 115027805 GYGFTZJURLBXPU-LJQANCHMSA-N 348.402 3.912 0 50 EHAA Cc1ncsc1CCC(=O)N[C@@H](c1ccccc1)c1ccco1 65393354 PSPHQNXNLWLACD-SFHVURJKSA-N 326.421 3.883 0 50 EHAA CCN(Cc1noc(CC(C)C)n1)C(=O)CCc1ccc(C)c(C)c1 55042714 QXVMLHLWCQIXAU-UHFFFAOYSA-N 343.471 3.866 0 50 EHAA CCC(=O)N1CCC[C@H]1c1nc(CC(C)C)nn1-c1ccccc1F 65460133 BTKKERMOLAKKQS-INIZCTEOSA-N 344.434 3.678 0 50 EHAA OCC1(CCc2ccccc2)CCN(c2cnc3ccccc3n2)CC1 67908117 YUZWNOFFBDVEIB-UHFFFAOYSA-N 347.462 3.842 0 50 EHAA FC1(F)CCN(Cc2ccc(O[C@@]34CCCN(CC3)C4)cc2)CC1 67605289 BWODIDLUCHAZMM-SFHVURJKSA-N 336.426 3.535 0 50 EHAA COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1 23025398 ZPEGBJZNMZAVBL-GOSISDBHSA-N 331.437 3.529 0 50 EHAA CSc1ccc(-c2nc(CN3CCC[C@@H](CO)C3)c(C)o2)cc1 71479559 DCADMCKJEIAFCS-CQSZACIVSA-N 332.469 3.576 0 50 EHAA CCOc1ccc(NC(=O)N2CCC[C@H]2c2ccnn2CC)cc1 21791712 JOTUUOABRGRPFR-INIZCTEOSA-N 328.416 3.671 0 50 EHAA Cc1cc(N(C)C)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 21799131 XEULSNWILSXHLV-UHFFFAOYSA-N 338.308 3.929 0 50 EHAA O=C(Nc1cccc(-n2cccc2)c1)N1CCC[C@H](N2CCCC2)C1 252551875 UIQHMEPJNHUNTD-IBGZPJMESA-N 338.455 3.569 0 50 EHAA Cc1ccc2nc(NC(=O)c3noc4c3C[C@H](C)CC4)sc2c1 2803891 ITWNXEWVMBLXNS-SECBINFHSA-N 327.409 3.970 0 50 EHAA Cn1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)nc2ccccc21 6025455 UDJATMXEQPFERC-ZIAGYGMSSA-N 325.799 3.969 0 50 EHAA C[C@H](O)c1ncc(C(=O)N2CCc3ccc(C(C)(C)C)cc3C2)s1 253407759 JBLGSLXGNQOMEC-LBPRGKRZSA-N 344.480 3.692 0 50 EHAA O=C([C@@H]1CSCCS1)N(Cc1cccnc1)c1ccc(F)cc1 122640681 ZSXMVNGBUGSVJL-INIZCTEOSA-N 348.468 3.603 0 50 EHAA O=C(N[C@H]1CCCc2occc21)c1ccc(OC2CCOCC2)cc1 329594507 HWUGXMNKSYGDPX-SFHVURJKSA-N 341.407 3.645 0 50 EHAA Cc1cc(NCc2cccc(CN3CCCC3)c2)n2nc(C)c(C)c2n1 72476783 PMXZBNLTQXIGMW-UHFFFAOYSA-N 349.482 3.862 0 50 EHAA CCCc1cc(NCc2cnn(Cc3ccccc3)c2)n2nccc2n1 72436393 ODFGOZORVCXJCP-UHFFFAOYSA-N 346.438 3.539 0 50 EHAA Cc1cccc(OC[C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)c1 72478607 OLNGOBCUQZSANC-INIZCTEOSA-N 349.434 3.803 0 50 EHAA CC(C)n1ccc(C(=O)Nc2ccc3sc(C(=O)O)cc3c2)n1 241587782 OXDSHGNKUDWIRM-UHFFFAOYSA-N 329.381 3.629 0 50 EHAA CC(C)(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 176052091 QEQAYCJLMWZQTM-KRWDZBQOSA-N 327.428 3.954 0 50 EHAA C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1nc(C2CC2)no1 223255388 UZHLIXVVIZRTAB-SNVBAGLBSA-N 331.441 3.768 0 50 EHAA O=C(CCCc1cccs1)N1CCC(CCn2cccn2)CC1 82096969 KCQHVZSBIPUKRH-UHFFFAOYSA-N 331.485 3.596 0 50 EHAA Cc1ccccc1[C@]1(O)CCN(C(=O)c2ccccc2C(F)(F)F)C1 223185005 URUHSTZOURNZQX-SFHVURJKSA-N 349.352 3.748 0 50 EHAA CN1CC[C@@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 21986508 MOJZPKOBKCXNKG-QAPCUYQASA-N 343.398 3.669 0 50 EHAA biogenic,in-vitro CNC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 237076078 WKQKISWHBVPBRL-CQSZACIVSA-N 344.405 3.703 0 50 EHAA Cc1cccc([C@@H]2CCCN(c3cc(C(=O)NC4CC4)ccn3)C2)c1 95508451 AMPHYAVWCJHIGB-GOSISDBHSA-N 335.451 3.666 0 50 EHAA O=C(Nc1cccc2cnccc12)N[C@@H]1COC2(CCCCC2)C1 96149040 KNOLWANWDHFTIO-HNNXBMFYSA-N 325.412 3.848 0 50 EHAA CCN1CC2(CCN(Cc3cc(C4CCCCC4)no3)CC2)CC1=O 95521142 RRCXHWNBUOUBOT-UHFFFAOYSA-N 345.487 3.557 0 50 EHAA COc1ccc2[nH]c(C(=O)Nc3cccc(-n4cccn4)c3)cc2c1 345010485 CLPRAARTNUXTEA-UHFFFAOYSA-N 332.363 3.615 0 50 EHAA Cc1cc(C)nc(-c2ccc(C(=O)N(C)Cc3cc(C)no3)cc2)c1 534632470 XDPGATFPXBNOGW-UHFFFAOYSA-N 335.407 3.934 0 50 EHAA O=C(NCc1c(F)cccc1Cl)C1(N2CCCC2)CCCCC1 826622252 VAIZICXSDGWYCQ-UHFFFAOYSA-N 338.854 3.894 0 50 EHAA Cc1sc2nc(SCCO[C@@H]3CCCCO3)nc(N)c2c1C 170606895 KCXZNMYNWWTJLM-LLVKDONJSA-N 339.486 3.526 0 50 EHAA O=C(c1cccc2c1CCC2)N(Cc1ccncc1)Cc1cccnc1 195244340 KBWHQOWYMRTUIM-UHFFFAOYSA-N 343.430 3.808 0 50 EHAA Cc1cccc([C@@H]2CCCN2C[C@@H](O)COc2ccccc2C)c1 195529442 LVHQGMXFEAFZEM-UXHICEINSA-N 325.452 3.880 0 50 EHAA CC(C)CCc1ccc(NC(=O)N2CCO[C@@](C)(C(F)F)C2)nc1 667209845 JDFWFLFHYPLPGY-QGZVFWFLSA-N 341.402 3.558 0 50 EHAA O=C(O)C[C@@H](NC(=O)c1cc2cccc(F)c2o1)c1ccc(F)cc1 675947111 FZAKFMICKQIPHA-CQSZACIVSA-N 345.301 3.657 0 50 EHAA Cc1cc(F)ccc1N1CCC(NCCCc2c(C)n[nH]c2C)CC1 1505655443 WSXZYIHPVKCRPR-UHFFFAOYSA-N 344.478 3.665 0 50 EHAA C[C@H](CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 5094488 RJGAAWRYRIRHOU-HUUCEWRRSA-N 325.408 3.829 0 50 EHAA Cc1sc2ncn(CCCCOc3ccccc3)c(=O)c2c1C 5010545 QONTVDJRCWXAQR-UHFFFAOYSA-N 328.437 3.934 0 50 EHAA COC(=O)CCCC(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 11873685 JMWSVRYVRLXDJR-GOSISDBHSA-N 346.471 3.556 0 50 EHAA O=C(NC1CCCCC1)c1nnn(-c2ccccc2)c1-c1ccco1 12274336 LRCHWAYTGQNBIF-UHFFFAOYSA-N 336.395 3.590 0 50 EHAA COC(=O)c1sccc1NC(=S)NCc1ccc(Cl)cc1 13497588 ONHOWOFBSDSATJ-UHFFFAOYSA-N 340.857 3.675 0 50 EHAA Cc1ccccc1Cn1c(=N)n(C[C@H](O)c2ccco2)c2ccccc21 19789943 UDLMFXDAJFEHBX-IBGZPJMESA-N 347.418 3.606 0 50 EHAA COc1ccc(F)cc1CN1CC[C@](C)(O)[C@H](Cc2ccccc2)C1 247871447 DIQDSIDFAIXPSN-NQIIRXRSSA-N 343.442 3.650 0 50 EHAA O=C(Nc1ccc(F)cc1F)c1cnn(-c2ccc(F)cc2F)c1 155060405 QNCATTBGTZIBES-UHFFFAOYSA-N 335.260 3.681 0 50 EHAA COc1cc(CNC(=O)N2CC[C@H]2C(C)(C)C)cc(Cl)c1OC 1263318274 FFHKSRYIHDIJFG-AWEZNQCLSA-N 340.851 3.687 0 50 EHAA Cc1cnc(-c2cccc(NC(=O)c3cnc(C4CC4)nc3C)c2)o1 1875280378 ANBXUXJCLFOXPW-UHFFFAOYSA-N 334.379 3.878 0 50 EHAA Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]32)c2cc(Br)ccc2n1 1875358051 HQFOYXVPEFYYSY-RSAASHCRSA-N 345.240 3.834 0 50 EHAA Cc1ccc(C(=O)N2N=C3CCCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1 78013 KOGWCOHMMGFNFU-CZUORRHYSA-N 340.345 3.638 0 50 EHAA CCC[C@H](CC1CCCC1)C(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2 2325769153 MUHQJDXPQXJNHO-DJIMGWMZSA-N 346.437 3.641 0 50 EHAA CC[C@H]1CCC[C@]1(C)C(=O)N1CCc2cc(CCC(=O)O)ccc2C1 2325775226 LRQVKRPTDJGEEK-RXVVDRJESA-N 343.467 3.805 0 50 EHAA Cc1ncn(CCNC(=O)Cc2coc3c(C)c(Cl)ccc23)c1C 2325810706 ZBHOSRKXQGIBHS-UHFFFAOYSA-N 345.830 3.567 0 50 EHAA CC(C)C(=O)Nc1ccc(NC(=O)COc2ccccc2Cl)cc1 360012 FESWPBAAXFAJEO-UHFFFAOYSA-N 346.814 3.952 0 50 EHAA O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 456027 JFKMKSXVWJRHHF-UHFFFAOYSA-N 343.427 3.553 0 50 EHAA O=C1C[C@H](c2cccc(C(F)(F)F)c2)c2cc3c(cc2N1)OCCO3 614733 CISQISSLCAUGFD-GFCCVEGCSA-N 349.308 3.951 0 50 EHAA CCc1ccc(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)cc1 1061581 KCVSDLLJAIBHRH-SFHVURJKSA-N 337.423 3.627 0 50 EHAA CCCCCc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1 2851603 DWNOOJNOJNMUIK-UHFFFAOYSA-N 335.429 3.540 0 50 EHAA CCOc1ccc(Br)cc1C(=O)Nc1ccccc1O 4842944 UITYXKBLSSNKCT-UHFFFAOYSA-N 336.185 3.806 0 50 EHAA Cc1ccc(SCCC(=O)Nc2ccc3c(c2)OCCO3)cc1 4993875 ZUAXFYOLFSHNGZ-UHFFFAOYSA-N 329.421 3.887 0 50 EHAA c1cnc(SCc2csc(-c3ccc4c(c3)OCO4)n2)nc1 6699929 FYPRTJVIMLQXIR-UHFFFAOYSA-N 329.406 3.621 0 50 EHAA Cc1cc(Br)ccc1NS(=O)(=O)c1cccs1 6706507 JXZOZKACCRLABB-UHFFFAOYSA-N 332.244 3.620 0 50 EHAA CC(C)n1cnnc1C1CCN(C(=O)[C@H](C)c2ccccc2F)CC1 110750164 JFMLRUCLKSAAHF-CQSZACIVSA-N 344.434 3.508 0 50 EHAA CCNc1cnc(-c2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)cn1 225735922 DBLIIMKDNHSMEE-UHFFFAOYSA-N 349.419 3.540 0 50 EHAA CC[C@@H](C)NC1CCN(c2ccc(N3C(=O)CC[C@@H]3C)cc2)CC1 55060983 HQIAKMYEODCDRY-CVEARBPZSA-N 329.488 3.559 0 50 EHAA CC1CCN(C(=O)COc2ccc(-c3nccn3C(C)C)cc2)CC1 67818466 QQPYBOYZRIQIES-UHFFFAOYSA-N 341.455 3.768 0 50 EHAA Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(F)c2)c1C 20402042 SKXYOXMTSXZPHH-SFHVURJKSA-N 340.398 3.686 0 50 EHAA CC(=O)NC[C@@H]1CCCN(Cc2ccc(C)c(Cl)c2Cl)C1 67894101 MUXJBEZJAYQRPX-ZDUSSCGKSA-N 329.271 3.650 0 50 EHAA CC(C)c1n[nH]c2c1CN(Cc1ccc([C@@H]3CCCCO3)o1)CC2 23429838 PCWXJOMEZDPVOG-KRWDZBQOSA-N 329.444 3.926 0 50 EHAA CCCCOc1ccc(/C=C/c2nc(O)c3c(n2)CCN(C)C3)cc1 253630365 XJRYLJNZQRKQBY-JXMROGBWSA-N 339.439 3.519 0 50 EHAA COc1ccc(C(=O)N(C)C)cc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 129312986 FSWKVKROYRWWEC-QWHCGFSZSA-N 344.377 3.930 0 50 EHAA OCc1ccccc1-c1cc(NCc2cccnc2)nc2[nH]ccc12 72133908 SLBGKBZLRJQPIK-UHFFFAOYSA-N 330.391 3.729 0 50 EHAA C[C@H](Cc1cc(C(=O)N(C)CCc2ccccn2)on1)c1ccccc1 12218539 FGQJRJTXUZYMAS-MRXNPFEDSA-N 349.434 3.731 0 50 EHAA COCCCCC(=O)Nc1cc(C)nn1-c1nc2ccccc2s1 253416976 DSAZRIBYVLUMOX-UHFFFAOYSA-N 344.440 3.546 0 50 EHAA Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)c(C)n1Cc1ccncc1 358325513 VLRILSCMYUTKSZ-UHFFFAOYSA-N 345.406 3.677 0 50 EHAA Cc1n[nH]c(C)c1CN1CCO[C@H](c2ccccc2C(F)(F)F)C1 359286989 IJGLOKHDZKWBDO-INIZCTEOSA-N 339.361 3.619 0 50 EHAA 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328.449 3.781 0 50 EHAA COC(=O)C1(OC(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 225855631 DVVXCXLLNMQKBV-UHFFFAOYSA-N 349.386 3.552 0 50 EHAA C[C@H](NCC(C)(C)C1(O)CCOCC1)c1cccc(C(F)(F)F)c1 417389920 YAVGYHGZIBWHNG-ZDUSSCGKSA-N 345.405 3.924 0 50 EHAA COCc1cc(CNCc2c(C)n(CC(C)C)c3ccccc23)[nH]n1 67431741 YZTFFGVVWGYMRP-UHFFFAOYSA-N 340.471 3.765 0 50 EHAA O=C(C1CC1)N(Cc1ccncc1)c1ccc(F)c(Br)c1 252489920 KEYXUTGBEHFGSZ-UHFFFAOYSA-N 349.203 3.926 0 50 EHAA O=C(Cc1cccnc1)N1CCC(F)(c2ccc(Cl)cc2)CC1 328586685 YTIKCMVSTUECAW-UHFFFAOYSA-N 332.806 3.765 0 50 EHAA CCN(CC)c1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 4794437 QZEYHHOSEGQWNO-HNNXBMFYSA-N 338.407 3.736 0 50 EHAA CC(C)Cc1ccccc1C(=O)Nc1ccc(CC(=O)N(C)C)cc1 252484563 FZKIMAZYHDWSRR-UHFFFAOYSA-N 338.451 3.768 0 50 EHAA O=C(c1coc2ccccc12)N1CCN(Cc2cccc(F)c2)CC1 72454548 ABYZSLKCKLYKKU-UHFFFAOYSA-N 338.382 3.530 0 50 EHAA Cc1nc(N(C)[C@H]2CCO[C@@H]2c2cccnc2)c2c(C)csc2n1 328938343 GRGAKICLLNDVFT-GOEBONIOSA-N 340.452 3.670 0 50 EHAA 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CO[C@@H]1CCC[C@@H](CC(=O)NC(C)(C)c2nc3ccccc3n2C)C1 332018012 YQTFWUWUPIKXRN-HUUCEWRRSA-N 343.471 3.520 0 50 EHAA O=C(O)c1cc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cs1 846247141 VKCIZLQWWVDBAG-QGZVFWFLSA-N 349.427 3.531 0 50 EHAA CC[C@@H]1CCC[C@@H](CNC(=O)NC[C@H](c2ccsc2)N(C)C)C1 1875323119 YEFHBBDXAADOSX-BFYDXBDKSA-N 337.533 3.866 0 50 EHAA CC(C)(C)c1nc(SCc2oc(=O)oc2-c2ccccc2)n[nH]1 1775985489 XWTZMLFKFJLNCO-UHFFFAOYSA-N 331.397 3.608 0 50 EHAA CN(CC(=O)Nc1ccc(Br)cc1)Cc1ccccc1 235795 ZGOZEPJVIHUVBP-UHFFFAOYSA-N 333.229 3.520 0 50 EHAA Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nccs2)cc1 448611 FYKSDZIDHSFXNE-UHFFFAOYSA-N 337.404 3.956 0 50 EHAA Nc1nnc(SCC(=O)n2c3ccccc3c3ccccc32)s1 2282435 LJWLTURLDVRJNC-UHFFFAOYSA-N 340.433 3.661 0 50 EHAA CC(C)(C)C(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 2967638 AEABQRHAKXZKOK-UHFFFAOYSA-N 334.799 3.929 0 50 EHAA CCOc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1 4204317 MIAKQYHWLJJVKX-ROUUACIJSA-N 349.438 3.714 0 50 EHAA Cc1ccc(SCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 4891411 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CC[C@@H](C)n1ncc2c(C(=O)N3CCc4ccccc43)cc(C)nc21 124182773 KNLBCYLQACMWEI-CQSZACIVSA-N 334.423 3.914 0 50 EHAA CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H]2CCc3c(O)cccc32)C1 152239946 ZKKAZLNSQVUJND-XJKCOSOUSA-N 334.485 3.695 0 50 EHAA Cc1c(Cl)cc(CN2CCC(N3CCCC3=O)CC2)cc1Cl 71750756 PNQMELJHOTZQCA-UHFFFAOYSA-N 341.282 3.889 0 50 EHAA CN(Cc1csc(-c2cccs2)n1)C(=O)CCCc1cn[nH]c1 72407254 BCCNHCNDTJZIFO-UHFFFAOYSA-N 346.481 3.576 0 50 EHAA COc1cc(C)c(CN2CCC3(CCC(=O)NC3)CC2)cc1C(C)C 215115593 PBQLZTOJLUHXIN-UHFFFAOYSA-N 344.499 3.619 0 50 EHAA C[C@@H]1CCc2c(C(=O)N3CCC[C@H](CCC(=O)O)C3)csc2C1 237436156 SUPFUGOGGOMKCC-CHWSQXEVSA-N 335.469 3.590 0 50 EHAA CC(C)N(C)c1ccc(CNCc2ccc(-c3cc[nH]n3)cc2)cn1 377024242 YCPHINAOKOQNMI-UHFFFAOYSA-N 335.455 3.606 0 50 EHAA Cc1nc(CO[C@H]2CCN(c3ccnc4ccccc34)C2)cs1 377180384 SGGCGASZZZVQGY-HNNXBMFYSA-N 325.437 3.795 0 50 EHAA O=C(NC[C@@H](c1ccccc1)C1CCCC1)c1ccn(C(F)F)n1 219741398 GOJCFCCBTASXJR-HNNXBMFYSA-N 333.382 3.982 0 50 EHAA Cc1ccc(-c2cccc(C(=O)N3CCC[C@H](c4ncc[nH]4)C3)c2)o1 215816640 ATOHQIIXQBQASE-KRWDZBQOSA-N 335.407 3.998 0 50 EHAA O=C(O)CCCN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 158109005 VVDKHYZUCHWJBO-UHFFFAOYSA-N 346.254 3.839 0 50 EHAA CCOc1ccc([C@H](C)NC(=S)NCc2ccc(F)cc2)cc1 13752142 BGTNQCWYXQNPGV-ZDUSSCGKSA-N 332.444 3.950 0 50 EHAA Fc1ccc(CN(Cc2ncc(C3CC3)o2)C2CCOCC2)cc1 287602933 DGYYYRSKKDVZSS-UHFFFAOYSA-N 330.403 3.872 0 50 EHAA Cc1cc(C)c(C(=O)N2Cc3ccccc3C[C@@H]2c2nnc(C)o2)o1 176804970 FAYXYUSPJQIDQK-MRXNPFEDSA-N 337.379 3.528 0 50 EHAA Clc1cccc(CN2CCCC[C@H]2CN2CCOCC2)c1Cl 97797728 XNOLBYYYTJNYEC-HNNXBMFYSA-N 343.298 3.680 0 50 EHAA Cc1ccc2nc(CCNc3nccc(-c4ccccn4)n3)[nH]c2c1C 97099544 NIHIJWIGFWYYPP-UHFFFAOYSA-N 344.422 3.686 0 50 EHAA C[C@H](NC(=O)c1cc(-c2ccccc2F)n[nH]1)c1nc2ccccc2[nH]1 97717193 DAOAIIFBFRMUQE-NSHDSACASA-N 349.369 3.583 0 50 EHAA CN(CC1(CO)CC1)C(=O)Nc1cccc(SC(F)(F)F)c1 96159661 ZNMMJJBTQAASEZ-UHFFFAOYSA-N 334.363 3.535 0 50 EHAA CCCn1cc(CNC(=O)Nc2ccccc2OC(F)(F)F)cn1 95497908 PDLGLCDUEJLOEA-UHFFFAOYSA-N 342.321 3.513 0 50 EHAA O=C([C@@H]1CCOC1)N(CCc1c[nH]c2ccccc12)C1CCCCC1 97757894 AQTWTXJLWUZYBD-QGZVFWFLSA-N 340.467 3.908 0 50 EHAA COc1ccc(Br)cc1C=NOC(=O)c1ccccc1 254372127 PDMBGQGULMMCPV-UHFFFAOYSA-N 334.169 3.649 0 50 EHAA Cc1cccnc1[C@H](NC(=O)CCc1ccc(F)c(F)c1)C1CC1 299765294 DZICPUJYJDYMSE-LJQANCHMSA-N 330.378 3.868 0 50 EHAA Cc1ccc(NC(C)(C)C(=O)N(C)C2CC(C)(C)NC(C)(C)C2)cc1 952984797 SBFCQEGXSVOICG-UHFFFAOYSA-N 345.531 3.953 0 50 EHAA CCNc1nc(C)c(C(=O)N(C)CCOc2c(C)cccc2C)s1 952987469 DUNMXCGSPFKAPK-UHFFFAOYSA-N 347.484 3.651 0 50 EHAA CNC(=S)NCCCN1c2ccccc2Sc2ccccc21 170625344 IEZZMSZVRLMMSH-UHFFFAOYSA-N 329.494 3.773 0 50 EHAA CCc1nc(C[S@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)n[nH]1 194573373 OEXATYDCKQHXIL-SQFXPLBJSA-N 332.256 3.684 0 50 EHAA Cc1ncc(CN[C@@H]2CCCC[C@]23CCN(C(=O)OC(C)(C)C)C3)o1 1775991882 NRZCKZCCPRHXAJ-VQIMIIECSA-N 349.475 3.642 0 50 EHAA Cc1cc(S[C@H](C)C(=O)Nc2nc3ccccc3s2)ncn1 12000502 KLBVAPJAYUHHHW-SNVBAGLBSA-N 330.438 3.514 0 50 EHAA COC(=O)c1c(NC(=O)C2CC2)sc(C)c1-c1ccc(OC)cc1 13327993 KMQKXEPVNQAURY-UHFFFAOYSA-N 345.420 3.867 0 50 EHAA O=C(C[C@H](C(=O)O)c1c[nH]c2ccccc12)c1ccc(F)cc1F 209332879 BOKQALWNGNLTOC-ZDUSSCGKSA-N 329.302 3.887 0 50 EHAA CC(C)(C)[C@H](NC(=O)Cn1cnc(-c2ccccc2)n1)c1ccccc1 123704106 OMRPUZKLQLUDKI-LJQANCHMSA-N 348.450 3.849 0 50 EHAA CCOc1cc(C(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1C 133811429 SQHHCPPKHSMKMI-MRXNPFEDSA-N 327.428 3.711 0 50 EHAA c1ccc([C@H](Nc2ncnc3c2oc2ccccc23)c2nc[nH]n2)cc1 376927535 QHSZKEMPBSNTMB-HNNXBMFYSA-N 342.362 3.696 0 50 EHAA Cc1cc(C(=O)Nc2ccc3cc(Cl)cnc3n2)nn1C(C)C 900103134 WTFSRIXNDTZPST-UHFFFAOYSA-N 329.791 3.621 0 50 EHAA Cc1nc(CNc2ccc3c(c2)nc(C)n3[C@H](C)CO)sc1C 902592344 DOCDZJHKOOKAMT-SNVBAGLBSA-N 330.457 3.583 0 50 EHAA Cc1cnc(O)c(CNC(=O)N[C@H](c2ccccc2)C2CCCC2)c1 912169718 ZEJFPISQRZKEQM-GOSISDBHSA-N 339.439 3.826 0 50 EHAA Cc1noc(C(C)C)c1NC(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 932844086 OCSBKEGXKVPBCC-LSDHHAIUSA-N 335.448 3.511 0 50 EHAA O[C@@H](c1ccccc1)C1CCN(Cc2ncoc2C2CCC2)CC1 1875275307 TWIKRLFCLXRSMF-IBGZPJMESA-N 326.440 3.888 0 50 EHAA O=C(N[C@@H](C(F)F)C1CCCCC1)c1cccn(C2CCC2)c1=O 1875301582 OIDBBNYTQYTGFI-OAHLLOKOSA-N 338.398 3.517 0 50 EHAA COc1cccc([C@H]2CCN(c3ncnc4sccc34)C2)c1OC 1875379354 RALOKUBBRJFATG-LBPRGKRZSA-N 341.436 3.702 0 50 EHAA Cc1cc(C(=O)N(C)Cc2cccc(O)n2)c(C)n1C1CCCCC1 887155942 XFDJDXUAQSEHMW-UHFFFAOYSA-N 341.455 3.983 0 50 EHAA Cc1ccc([C@@H](C)c2noc(-c3c(C(F)(F)F)cnn3C)n2)o1 2325777598 NRWQVOMKVOQALO-MRVPVSSYSA-N 326.278 3.542 0 50 EHAA Cc1ccc2ncc(C(=O)OCc3c(Cl)cncc3Cl)n2c1 2325854624 NGDOQXYRYCOMMH-UHFFFAOYSA-N 336.178 3.702 0 50 EHAA Clc1cccc(S[C@H]2CCN(c3nccn4cncc34)C2)c1 2325854857 YNFORZZMDCABTE-AWEZNQCLSA-N 330.844 3.754 0 50 EHAA Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3F)C2=O)c(C)c1 101464 HHRFWACIFCUVTG-UHFFFAOYSA-N 344.773 3.878 0 50 EHAA COc1ccc(NCC(=O)Nc2ccc(Cl)cc2C)c(OC)c1 132509 DRJCPUPFBNTNHD-UHFFFAOYSA-N 334.803 3.716 0 50 EHAA aggregator CCCc1nc2ccccc2n1C[C@H](O)COC[C@H]1CC=CCC1 243003 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343.408 3.803 0 50 EHAA OCC[C@@H]1CN(C/C=C/c2ccccc2)CCN1CC1CCCCC1 20255644 GOFVKQIQHMNQQN-JNKLARPZSA-N 342.527 3.649 0 50 EHAA CC[C@@H]1CN(C(=O)c2ccc(-c3ccsc3)nc2)CCN1C(C)C 67740266 PBFRKWPZSDNHKY-QGZVFWFLSA-N 343.496 3.755 0 50 EHAA C[C@H]1CCCC[C@H]1OCCNC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 252474732 KZUHUNIVWIELOW-RDALWRGNSA-N 334.504 3.802 0 50 EHAA CC(=O)c1cc(CN2CCCC[C@@H]2CCc2cccc(O)c2)n(C)c1 1506420418 DVEMXRDGISKFBL-LJQANCHMSA-N 340.467 3.921 0 50 EHAA COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2ccnn2C)cc1 328587372 HWUUPRWWIKIKOW-OAHLLOKOSA-N 349.434 3.929 0 50 EHAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1csc2c1CCCC2 252510846 CEHOUTFMGPNRQL-MAZHCROVSA-N 347.480 3.573 0 50 EHAA CCCn1cc(C(=O)N(CCOC)Cc2ccccc2Cl)c(C)n1 215406186 NOGZEJTWFFZWFI-UHFFFAOYSA-N 349.862 3.544 0 50 EHAA CC(C)=CC(=O)NC[C@H]1CCCN(Cc2cccc3cccnc23)C1 71278805 PUADNQDAFCEPRI-QGZVFWFLSA-N 337.467 3.529 0 50 EHAA CCc1ccc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)nc1 71750193 OUWFJUPNLIAIQZ-UHFFFAOYSA-N 333.439 3.749 0 50 EHAA Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)c1ccco1 11842885 RKRYKAVBNHKNJG-CYBMUJFWSA-N 342.443 3.638 0 50 EHAA CC(=O)NCC[C@@H]1CCCCN1Cc1c(Cl)ccc(O)c1Cl 77425612 LHMDXDZFRBBGBZ-LBPRGKRZSA-N 345.270 3.580 0 50 EHAA C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 253369525 DRUAMCACCYSTNQ-QBIMZIAESA-N 337.423 3.587 0 50 EHAA COc1nc(-c2ccccc2C(=O)N(C(C)C)C(C)C)ncc1F 215114345 ALIZLRDVSCBTMF-UHFFFAOYSA-N 331.391 3.550 0 50 EHAA CCOC(=O)C1([C@H](c2ccccc2)N2CCOCC2)CCCCC1 32599945 XAJSVSVWWTZEEF-SFHVURJKSA-N 331.456 3.574 0 50 EHAA CCn1c(CN(C)C)nnc1C1CCN(C2CCCCCCC2)CC1 77419799 FBTJRNVVMMSOEA-UHFFFAOYSA-N 347.551 3.652 0 50 EHAA O=C(Nc1cccc(C(=O)N2CC3(CCCCC3)C2)c1)c1ccco1 365016032 HJORQRVBARMLCS-UHFFFAOYSA-N 338.407 3.938 0 50 EHAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cccn1C1CC1 181204364 KAYOMYIJAZNNEJ-UHFFFAOYSA-N 337.423 3.620 0 50 EHAA C(=C/c1ccccc1)\CN(Cc1nccs1)[C@@H]1CC12CCNCC2 261660620 FRAUPTMYPQLYBG-WEBJUUICSA-N 339.508 3.801 0 50 EHAA C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NC[C@H]1CC[C@@H](C)O1 459157875 HQFKTLFQAFSTSY-TYNCELHUSA-N 344.377 3.975 0 50 EHAA Oc1cccc(CN(Cc2cnn(-c3cccc(F)c3)c2)C2CC2)c1 215561337 SEQAMSAANCGYPW-UHFFFAOYSA-N 337.398 3.882 0 50 EHAA CC(C)c1cc(C(=O)N2CCCC[C@H]2CCc2ccccn2)no1 77517072 YRJBIPBRZKIBHF-INIZCTEOSA-N 327.428 3.821 0 50 EHAA O=C(c1cnn(-c2ccccc2)c1)N1CC[C@H](c2ccccc2F)C1 77394247 KKFYIOAXSQHZTB-HNNXBMFYSA-N 335.382 3.641 0 50 EHAA Cc1nc(CC(=O)N(Cc2ccccn2)C2CCCCC2)cs1 72425063 BWSNFECGSGNZON-UHFFFAOYSA-N 329.469 3.751 0 50 EHAA Cc1csc(CNc2nccc(-c3cnn(-c4ccccc4)c3)n2)n1 48488289 CCKMWOUAEXTSBZ-UHFFFAOYSA-N 348.435 3.706 0 50 EHAA CC(C)c1cc(C(=O)NCCCc2nc3cc(Cl)ccc3[nH]2)no1 82161256 NIEQTJIHFNAGOH-UHFFFAOYSA-N 346.818 3.690 0 50 EHAA CCN(CC)c1ccc(-c2ccc(C(=O)N(C)CCCO)cc2)cc1 426380760 XWVYYZQKKDPVPH-UHFFFAOYSA-N 340.467 3.654 0 50 EHAA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(Cl)cn3)nc2c1 265569616 SCLPWJVIIFLLPP-INIZCTEOSA-N 340.814 3.897 0 50 EHAA C[C@H](c1ccc(-c2ccc(OCC(N)=O)cc2)cc1)N1CCCCC1 426537372 ARNZOQIQOYMGSW-MRXNPFEDSA-N 338.451 3.765 0 50 EHAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)C1CCCCCC1 91997917 KQNVRWOMJXRLEG-HNNXBMFYSA-N 338.455 3.995 0 50 EHAA O=C(NCCc1ccc(Cl)cc1Cl)N1CCC(F)(F)CC1 426700113 WOTCKAUPKUAIFU-UHFFFAOYSA-N 337.197 3.977 0 50 EHAA Cc1c(Cl)cc(C(=O)N(C)CCCc2nccn2C)cc1Cl 91664839 HRDLRGWURITLKK-UHFFFAOYSA-N 340.254 3.740 0 50 EHAA C[C@@H]1CN(Cc2c[nH]nc2-c2cccc(F)c2)CC[C@@]1(O)C1CCC1 91818913 QEQQGXXUAQBMDA-VLIAUNLRSA-N 343.446 3.589 0 50 EHAA O=C(Nc1cc(F)ccc1F)c1cnn(-c2ccc(F)cc2F)c1 162992309 ASTASYSLOXWFKR-UHFFFAOYSA-N 335.260 3.681 0 50 EHAA Cc1cc2c(N3CC[C@@H](n4c(C)nc5c4CCCC5)C3)nccc2o1 299739504 PLDSKYVZCQIAFN-OAHLLOKOSA-N 336.439 3.971 0 50 EHAA O=C(Nc1ccc(F)cc1)c1ncn2c1CO[C@H](c1ccccc1)C2 263615244 BJEYZUNADKERLX-KRWDZBQOSA-N 337.354 3.546 0 50 EHAA O=C(Nc1cc(Cl)ccc1Cl)N1CCC[C@H]1Cn1cccn1 299761874 BCGYQQZOVDJXNC-LBPRGKRZSA-N 339.226 3.886 0 50 EHAA CN1[C@H]2CC[C@@H]1Cc1nc(N)c(C#N)c(-c3ccc(F)c(Cl)c3)c12 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Cc1cc(C(=O)N[C@H](C)Cc2cncs2)c2cccc(C)c2n1 82086854 OUKSNQVKWZSMQQ-GFCCVEGCSA-N 325.437 3.669 0 50 EHAA O=C(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N1CC[C@@H](O)C1 426488317 SNDHKFFTWNETFL-MRXNPFEDSA-N 335.325 3.579 0 50 EHAA CC(C)(C)n1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)c1 221233030 OTEVUUZBIWZAGJ-UHFFFAOYSA-N 340.467 3.721 0 50 EHAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1ccc(C)cc1)CC2 426435432 QGEABOLLZWBZME-QHAWAJNXSA-N 329.484 3.934 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)NCc1cnn(-c2ccc(F)cc2)c1 91892880 QYJJCJHDLWBORC-KRWDZBQOSA-N 349.409 3.748 0 50 EHAA COc1ccccc1C1CCN(c2ccnc(C(F)(F)F)n2)CC1 91931384 JQLGRAFDQHZTRE-UHFFFAOYSA-N 337.345 3.888 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N1CCC(Nc2ccccn2)CC1 91691673 IZKBEAFPAVXQLQ-UHFFFAOYSA-N 344.484 3.687 0 50 EHAA C1=CC2(CCN(c3cc([C@H]4CCOC4)ncn3)CC2)c2ccccc21 426428853 GHFJZTSIMYPOCL-KRWDZBQOSA-N 333.435 3.546 0 50 EHAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)nc3c(Cl)cccc13)C2 426430574 BPDNEKWRPZLYLI-MCBXIFIFSA-N 344.842 3.694 0 50 EHAA Cc1scc(C(=O)Nc2cc(-c3cccs3)nn2CCO)c1C 179993817 MZGKDELQNHHWHP-UHFFFAOYSA-N 347.465 3.535 0 50 EHAA CCCc1noc([C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1 91270226 JUNYSKWWUHWOCX-CYBMUJFWSA-N 333.819 3.582 0 50 EHAA O=c1c2c(Cl)cccc2cnn1CCc1ccc2ccccc2n1 95831064 OTCHMHZDLJGVON-UHFFFAOYSA-N 335.794 3.841 0 50 EHAA O=C(CC1CCCCC1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244724058 MMVNPRZBPNUMQU-LVCYWYKZSA-N 343.467 3.520 0 50 EHAA CCN1CC[C@@H](NC(=O)N(C)Cc2ccc(-c3ccccc3)cc2)C1 584895813 KAEXIOXSEOJXAB-HXUWFJFHSA-N 337.467 3.589 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)n1C(F)F 821810120 MGBDDSMDOCMQHL-UHFFFAOYSA-N 335.354 3.582 0 50 EHAA Cc1nc2ccc(CC(=O)NC[C@@]3(c4ccccc4)CC3(C)C)cc2[nH]1 670458578 AWBVAIMWXNHSJR-JOCHJYFZSA-N 347.462 3.898 0 50 EHAA Cn1ccnc1C[C@@H](NC(=O)c1cc2c(o1)CCCC2)c1ccccc1 1340648251 OEFYUTSYXZYIDG-QGZVFWFLSA-N 349.434 3.606 0 50 EHAA CC[C@H](NC(=O)c1ccc(N2CCCC2)c(Cl)c1)c1ccnn1C 952972833 UUIWLBNYWAVCNU-HNNXBMFYSA-N 346.862 3.555 0 50 EHAA CSc1ncc(CN(C)CCCOc2ccccc2Cl)cn1 952977608 YCLYPLAYJVJDEU-UHFFFAOYSA-N 337.876 3.753 0 50 EHAA FC(F)(F)c1cnc([C@H]2CCCN(Cc3ccc4cn[nH]c4c3)C2)[nH]1 278712214 OSUQEXHDNOFSJR-ZDUSSCGKSA-N 349.360 3.684 0 50 EHAA C[C@H]1SCCN(Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]1C 170631140 ILRITJSVRUFPDA-HUUCEWRRSA-N 327.497 3.687 0 50 EHAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCSCC[C@@H]1C 170611118 HNIINYSYSBPFPK-STQMWFEESA-N 338.521 3.545 0 50 EHAA CCOc1cc(C)c(/C=C2\NC(=S)N(CC)C2=O)cc1C(C)C 202573 UIVQINDPUZKBQB-GDNBJRDFSA-N 332.469 3.595 0 50 EHAA COc1c(C)cc(C(=O)[C@@H]2CCCN(CCCSC)C2)cc1C 12387377 DZJWNAUSALGFLF-MRXNPFEDSA-N 335.513 3.960 0 50 EHAA COC(=O)c1ccc(CN2CCC[C@H](Nc3cccc(F)c3)C2)cc1 12592725 YHXYWCYPZDGLDG-IBGZPJMESA-N 342.414 3.689 0 50 EHAA C/C=C(\C)C(=O)N1CC[C@@]2(CCCN(CCCc3ccccc3)C2)C1 14968459 HAXILJLKBDJGOI-MBUVPWSJSA-N 340.511 3.900 0 50 EHAA Cc1ccc(CN2CCC(=O)N(Cc3cccc(Cl)c3)CC2)s1 14993138 VTCJCXJETYYSPI-UHFFFAOYSA-N 348.899 3.944 0 50 EHAA COc1ccc(C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@@]23C(=O)Nc2ccccc23)cc1 169678592 QWYFARKIGPNDNJ-STAGFUQPSA-N 345.398 3.590 0 50 EHAA O=C1C[C@H](c2noc(-c3ccc(F)c(F)c3)n2)CN1C1CCCCC1 169762217 ZYNHVJZUERDHRB-LBPRGKRZSA-N 347.365 3.663 0 50 EHAA Cc1c[nH]c(CN2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)c(C)c1=O 1875246206 ASPGSNNUJBYEGP-UXHICEINSA-N 340.467 3.590 0 50 EHAA Cc1nn(C)c2ncc(/C=C/c3ccc4cc(C(=O)O)ccc4n3)cc12 164359500 JPLVXBZYTUUQPV-ZZXKWVIFSA-N 344.374 3.694 0 50 EHAA Cc1nc(NC(=O)c2cc(C)c(Br)o2)cc(C2CC2)n1 903992560 ZPNKWJXELGNVLC-UHFFFAOYSA-N 336.189 3.579 0 50 EHAA CC(C)c1ccc(-n2ccnc2SCC[C@H]2COCCO2)cc1 1875354477 XCKPJHDLMFQWTI-KRWDZBQOSA-N 332.469 3.893 0 50 EHAA CC[C@@H](CCO)CN[C@@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1775998038 QTADBECTLMZERM-DOTOQJQBSA-N 348.487 3.871 0 50 EHAA CC[C@@H](N[C@H]1c2ccccc2OC[C@H]1CO)c1ccc(F)cc1F 1775985306 MXOSBTWGOGZZER-QHLBDZCJSA-N 333.378 3.748 0 50 EHAA CCOC(=O)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 1857798302 YKXGFCZTSVDMNZ-UHFFFAOYSA-N 345.207 3.619 0 50 EHAA CCC[C@H](C(=O)Nc1cncnc1N(C)C)c1cccc(Cl)c1 1457912506 ZSRWLNHKGHTXJO-AWEZNQCLSA-N 332.835 3.718 0 50 EHAA CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)c3ccco3)cc12 103759 DIVMJJQCBPVNJU-UHFFFAOYSA-N 341.363 3.959 0 50 EHAA COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)c(OC)c1 351991 PMWCAOPZRVNMBM-UHFFFAOYSA-N 328.393 3.874 0 50 EHAA COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2ccccc2)c1 426399 JZYZIIXKAMUADE-UHFFFAOYSA-N 347.378 3.576 0 50 EHAA CC(=O)Nc1ccccc1NC(=O)c1ccccc1Br 444097 VTDIKBWPYRLHME-UHFFFAOYSA-N 333.185 3.660 0 50 EHAA COc1ccc(OC)c(NC(=O)c2ccc(SC)cc2OC)c1 456075 CZXXURSDQYRBIR-UHFFFAOYSA-N 333.409 3.687 0 50 EHAA O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1F 1438718 GTZVPYMZRXSLJU-UHFFFAOYSA-N 337.276 3.833 0 50 EHAA CCCOC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCC2 2082831 JLONQFNNYCYVJA-UHFFFAOYSA-N 344.436 3.841 0 50 EHAA CCCOc1ccc(C(=O)NC(=S)Nc2cccc(OC)c2)cc1 4702119 PVEZGVFZTKVDEG-UHFFFAOYSA-N 344.436 3.611 0 50 EHAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1F 4838326 DFUPJVQQORKELW-UHFFFAOYSA-N 339.370 3.927 0 50 EHAA CCn1cnnc1-c1ccccc1NC(=O)N[C@@H](C)c1ccccc1 110077717 SRFXJNOHFMPTRP-AWEZNQCLSA-N 335.411 3.848 0 50 EHAA CCc1nc(C)c(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)o1 55253777 XHIXLGWQDCSNMY-INIZCTEOSA-N 342.439 3.879 0 50 EHAA CC[C@@H](C(=O)Nc1ccccc1)n1nc(-c2ccc(C)cc2)ccc1=O 20095634 MKDVNPFGAFTRHB-IBGZPJMESA-N 347.418 3.809 0 50 EHAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1Br)c1cccnc1 248231689 BVYMODJVOGISLL-TUKIKUTGSA-N 345.240 3.825 0 50 EHAA C[C@H](NC(=O)Nc1nnc(CCc2ccccc2)s1)c1ccco1 23580621 ANNSWENTHVOMML-LBPRGKRZSA-N 342.424 3.799 0 50 EHAA CCC[C@@H]1C=CCN1C(=O)c1coc(COc2cccc(F)c2)n1 67714507 ZTUWUJFMNJUDAW-CQSZACIVSA-N 330.359 3.573 0 50 EHAA CN(CCC1CCOCC1)c1nncc(-c2cccc3ccccc23)n1 12000597 DJQGQESRBQYJBU-UHFFFAOYSA-N 348.450 3.945 0 50 EHAA C[C@H]1CCN(C(=O)Nc2ccccc2SCCC(N)=O)C[C@H](C)C1 121337592 NHPFLZSZTXUSCL-UONOGXRCSA-N 349.500 3.554 0 50 EHAA Oc1ccc(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cc1 65460884 WMXZMEXOANEAHI-FCHUYYIVSA-N 333.431 3.896 0 50 EHAA C[C@@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@@H](C)O)cc2)cc1 390083 MIUUNYUUEFHIHM-HZPDHXFCSA-N 344.451 3.532 0 50 EHAA biogenic,in-vitro CN(C)CCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1 2751784 VSKLIXPLGYLRMQ-UHFFFAOYSA-N 348.446 3.710 0 50 EHAA CC(C)Oc1cccc(CN(C)C(=O)[C@H]2OCCc3ccccc32)c1 123589597 JOINWGYLMREIRS-FQEVSTJZSA-N 339.435 3.746 0 50 EHAA CCOc1ccccc1NC(=O)N1CCCC[C@H]1CCn1cccn1 72143631 DZMMIGAXONRVQN-INIZCTEOSA-N 342.443 3.759 0 50 EHAA FC(F)(F)[C@H]1CN(Cc2ccc3cccc(Cl)c3n2)CCO1 71754081 OQACKHRRZMVKHP-CYBMUJFWSA-N 330.737 3.651 0 50 EHAA CN1CCCN(C(=O)c2cncnc2-c2ccccc2)c2ccccc21 253427704 YNWKRXNRLRIUKN-UHFFFAOYSA-N 344.418 3.630 0 50 EHAA O=C(CCc1nc2ccccc2[nH]1)N1CCCC[C@H]1c1ccccn1 216424290 FMTUDVHOCFBTFR-SFHVURJKSA-N 334.423 3.644 0 50 EHAA CC(=O)Nc1ccc(CCNC(=O)N[C@H]2CCC(C)(C)C[C@H]2C)cc1 361769903 UWPFVNDZQAPTNP-KDOFPFPSSA-N 345.487 3.702 0 50 EHAA O=C(c1ccc(C(=O)N2CCCc3cccc(O)c32)cc1)c1cc[nH]c1 155673852 CIFFDAVTBINCOH-UHFFFAOYSA-N 346.386 3.544 0 50 EHAA O=C(Nc1ccn(-c2ncccc2Cl)n1)c1cccc2c1CCC2 129755043 NMXBWTNEZMWVAS-UHFFFAOYSA-N 338.798 3.662 0 50 EHAA CCOCCOc1ccccc1C(=O)N1C[C@H]2CC=C(C)C[C@H]2C1 71416297 AKDRWYRGPPJIOQ-SJORKVTESA-N 329.440 3.530 0 50 EHAA Cc1ccc(C)c([C@H]2CN(C(=O)c3cn(C(C)C)cn3)[C@H](C)CO2)c1 282680838 JGTXPRLVJPOKLT-VQIMIIECSA-N 341.455 3.683 0 50 EHAA CC/C=C(\C)CN1CCC(n2cc(CN3CCC(C)(C)C3)nn2)CC1 48501668 SEAGIWIHWHBJNM-UBKPWBPPSA-N 345.535 3.503 0 50 EHAA CC(C)(C)c1cn(C2CCN(C(=O)CC3CCCCC3)CC2)nn1 48130374 VAHUTHHOEDGRPO-UHFFFAOYSA-N 332.492 3.710 0 50 EHAA CSc1ccc2c(c1)CCN(C(=O)c1cccc3nccnc13)C2 97492603 XMNMCKAYSMNEMN-UHFFFAOYSA-N 335.432 3.550 0 50 EHAA CC1(C)CN(C(=O)c2cc(Cl)cnc2O)C[C@@H]1c1ccccc1 426628765 MUUCYLOVEYWSEU-OAHLLOKOSA-N 330.815 3.706 0 50 EHAA O=C(C[C@H]1CCc2ccccc21)NCCc1noc(C2CCCC2)n1 91255084 GFPYGIZDGFTYDT-MRXNPFEDSA-N 339.439 3.506 0 50 EHAA Cc1cnc(CNc2ccc(Cl)cc2C(=O)N2CCCC2)s1 179952561 PUDXVRNLXMZKPW-UHFFFAOYSA-N 335.860 3.953 0 50 EHAA CCOC(=O)[C@@H](c1ccccc1Br)N1CCCCC1 96026520 YEPHONYFZKLGLZ-CQSZACIVSA-N 326.234 3.539 0 50 EHAA Cc1nc(N[C@H](C)c2ccc3c(c2)OCCCO3)c2c(C)noc2n1 95386931 WZADDXSTARYFDA-SNVBAGLBSA-N 340.383 3.569 0 50 EHAA Cc1nc(-c2ccc(CNc3nccc(-c4ccncc4)n3)cc2)no1 97757983 KQIAJBVTTGEVRK-UHFFFAOYSA-N 344.378 3.509 0 50 EHAA COc1ccccc1-c1cc(C(=O)N[C@H](C)C2=CCCCC2)[nH]n1 97463527 ZSFRXPUUGFINDQ-CYBMUJFWSA-N 325.412 3.704 0 50 EHAA Cc1onc(C(=O)O)c1CN(Cc1c(F)cccc1Cl)C1CC1 244811473 SDJRTWZRZCLDDM-UHFFFAOYSA-N 338.766 3.638 0 50 EHAA CC(C)Cn1ncnc1CN1CCC[C@@H]1c1nc2ccccc2s1 182627055 RPORMTKTNVDSTP-OAHLLOKOSA-N 341.484 3.881 0 50 EHAA CC(C)[C@@H](NC(=O)[C@H]1CCn2ccnc2C1)c1ccc(Cl)cc1F 184002931 KAELZGKMATYBOS-YVEFUNNKSA-N 349.837 3.752 0 50 EHAA CC(C)n1ncc2ccc(NC[C@@H]3CCO[C@H]3c3ccnn3C)cc21 299744861 UZYDDXQCUBTDGN-HNAYVOBHSA-N 339.443 3.540 0 50 EHAA C[C@@H](CN(C)C(=O)c1cnc(-c2ccco2)s1)c1nccs1 184929843 PJIOJPWHEGAINO-JTQLQIEISA-N 333.438 3.735 0 50 EHAA Cc1nc2ccc(NC(=O)NCc3snnc3C(C)C)cc2s1 299785829 OJCXDCDFVIYXIK-UHFFFAOYSA-N 347.469 3.901 0 50 EHAA CC(=O)N(C1=NN(C(C)=O)[C@@H](c2ccccc2)S1)c1ccccc1 669369046 YBSKEKJAJXJHCD-QGZVFWFLSA-N 339.420 3.605 0 50 EHAA CN(CCN(C)C1CCCC1)C(=O)/C=C/c1nc2ccccc2s1 823659062 FWPPQELDAIDDNH-VAWYXSNFSA-N 343.496 3.642 0 50 EHAA O=C(CN1C(=O)CCCc2sccc21)N[C@@H]1C[C@@H]1C1CCCCC1 169995512 QURJVNKIQCUIRC-HUUCEWRRSA-N 346.496 3.502 0 50 EHAA OC1(c2ccc(-c3ccccc3)cc2)CCN(Cc2ncc[nH]2)CC1 278912784 TYULXRACLYDPHI-UHFFFAOYSA-N 333.435 3.560 0 50 EHAA CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cn3ccnc3s2)s1 188548899 XLZCPYKLAYJWHL-SNVBAGLBSA-N 334.470 3.556 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CC(c2ccccc2)C1 190434558 IFBQNUPTJOLQTJ-BTRQGYIVSA-N 325.456 3.659 0 50 EHAA CC1(C)CC[C@@H](N/C=C2/C(=O)NC(=O)c3ccccc32)c2ccccc21 745823116 QUNGZJUTOJYIQQ-XEYRCQSKSA-N 346.430 3.700 0 50 EHAA O=C(c1ccncc1)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 12315370 UUKVRLQRJDSWMK-HNNXBMFYSA-N 330.378 3.845 0 50 EHAA CC(C)(C)[C@@H](O)/C(=C\c1ccc(Cl)cc1Cl)n1cncn1 13831527 FBOUIAKEJMZPQG-BLXFFLACSA-N 326.227 3.990 0 50 EHAA in-vitro Cc1cccc(CC(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)c1 169754818 MYELTURYEGYRIB-UHFFFAOYSA-N 341.455 3.525 0 50 EHAA O=C(N[C@H]1CCc2ccc(Cl)cc21)c1cnc2c(c1)C(=O)CCC2 1857531376 OLVGNILTNGVDMW-KRWDZBQOSA-N 340.810 3.671 0 50 EHAA CC1(C)C(Cn2ccnc2-c2ccc(S(C)(=O)=O)cc2)C1(C)C 1857677466 CUNAZAZJARLMKZ-UHFFFAOYSA-N 332.469 3.636 0 50 EHAA Fc1ccc(-c2nnc3sc(COc4ccccc4)nn23)cc1 2180689 PQPRQEPXRFRDNV-UHFFFAOYSA-N 326.356 3.571 0 50 EHAA Cc1cc([C@H]2CN(Cc3ccc4cn[nH]c4c3)CCO2)ccc1F 130447420 ORIADRHWVNELAA-LJQANCHMSA-N 325.387 3.584 0 50 EHAA CN(Cc1nc2ccccc2s1)C(=O)c1cc(Cl)cc(F)c1N 253418019 IEQRUIOMAJXWKX-UHFFFAOYSA-N 349.818 3.943 0 50 EHAA CC(C)(C)c1cc(C[C@@H]2SC(=O)NC2=O)cc(C(C)(C)C)c1O 33968826 QDYYSPGKYXWGSL-ZDUSSCGKSA-N 335.469 3.881 0 50 EHAA CC(C)c1ncsc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 846798843 VGYQHUAYFTVSKI-GARJFASQSA-N 339.461 3.523 0 50 EHAA COc1ccccc1OCCc1nnc(COc2cccc(C)c2)o1 952988881 HINFSNWVUBLZGB-UHFFFAOYSA-N 340.379 3.587 0 50 EHAA Cn1cc(-c2ccc(F)c(C(=O)N[C@H]3C[C@H]3C3CCCC3)c2)cn1 1875272401 YCUQFVPBGIKVAH-YJBOKZPZSA-N 327.403 3.535 0 50 EHAA COCc1cc(C)nc2sc3c(c12)N[C@@H](c1cccs1)NC3=O 92821 ILHMSOCJYWHXTQ-CQSZACIVSA-N 345.449 3.667 0 50 EHAA CC(C)c1ccc(NC(=O)[C@@H](C)SCCc2cnccn2)cc1 2325772635 IIEBXUHLZNJBLC-CQSZACIVSA-N 329.469 3.903 0 50 EHAA Cc1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)c(C)nn1 2325854207 RYXUMPIPVLZROV-UHFFFAOYSA-N 346.239 3.509 0 50 EHAA C1=C(c2ccccc2)CCC[C@H]1NCc1ccc(-n2cccn2)nc1 2325859904 PDSDURDPLDVZCU-HXUWFJFHSA-N 330.435 3.993 0 50 EHAA COc1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1OC 39395 WDPUUICEGYWJOT-CYBMUJFWSA-N 331.437 3.964 0 50 EHAA Cc1ccc(S(=O)(=O)N[C@H](C)C2C3CC4CC(C3)CC2C4)cc1 189740 RUTGILNPYXWDHN-ZXZQKFIBSA-N 333.497 3.734 0 50 EHAA Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c1 271362 ZLWXOXNHIAFVHK-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA O=C1CCC(=O)N1c1ccc(Oc2ccc(Br)cc2)cc1 313335 YMTQJPRVTYUHHC-UHFFFAOYSA-N 346.180 3.895 0 50 EHAA O=C(c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)N1CCCC1 484278 SYIZLANPZZEVMU-UHFFFAOYSA-N 346.386 3.867 0 50 EHAA COc1ccc(OCCCC(=O)Nc2cc(C)ccc2OC)cc1 1778331 RFIIGPALIUULSY-UHFFFAOYSA-N 329.396 3.810 0 50 EHAA CC(=O)O[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)c2ccccc21 3190438 MBOWKIIVKPJHFP-MRXNPFEDSA-N 335.281 3.686 0 50 EHAA COc1cc(OC)c(NC(=O)c2cccc(OC(C)=O)c2)cc1Cl 4868507 KFDLQLTVEDYWQB-UHFFFAOYSA-N 349.770 3.535 0 50 EHAA CCOC(=O)c1csc([C@@H]2CCCN2C(=O)C[C@H]2C=CCCC2)n1 225392759 OCNYWAUSJZLYOR-ZFWWWQNUSA-N 348.468 3.730 0 50 EHAA Cc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)CC(C)(C)C3 10156904 YMLSLNNYZWFIQZ-UHFFFAOYSA-N 340.814 3.908 0 50 EHAA CS[C@@H](C)CCN(Cc1cccnc1)Cc1ccc2c(c1)OCO2 55071761 VOTGOVIWGYGPAM-HNNXBMFYSA-N 344.480 3.954 0 50 EHAA O=C(Nc1cccc(F)c1)[C@H]1CCCN1C(=O)c1ccccc1Cl 20402403 AFRMMJKHTWGOTH-MRXNPFEDSA-N 346.789 3.722 0 50 EHAA O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC[C@H]1c1ccsc1 247758012 YULFTGLMJRFNCG-ZWKOTPCHSA-N 326.465 3.905 0 50 EHAA Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 20399215 ASXOGJHESLGOKV-KRWDZBQOSA-N 342.826 3.892 0 50 EHAA CCCOC(=O)N1CC[C@@]2(CCCN(C/C=C/c3ccco3)C2)C1 67473419 SPWMGUAFUQLYSA-MTGFJVSHSA-N 332.444 3.627 0 50 EHAA CSCC(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 349106411 ILTWOJADRSLTFN-UHFFFAOYSA-N 332.372 3.837 0 50 EHAA CC(C)C[C@H](C(=O)N1CCO[C@H](c2ccccc2)C1)n1cccc1 409414155 OEGBEQXFESKYGY-MOPGFXCFSA-N 326.440 3.675 0 50 EHAA Cc1ncc(C(=O)N(C)CCc2ccc(Cl)cc2)c(C2CC2)n1 281762635 FRPYZFDRUWQXKF-UHFFFAOYSA-N 329.831 3.631 0 50 EHAA O=C(CCc1cccs1)N1CCC([C@H](O)Cc2ccccc2)CC1 77406247 VVGLPZKFYOWIFU-LJQANCHMSA-N 343.492 3.523 0 50 EHAA O=C(Nc1ccccc1-c1nnc[nH]1)[C@@H]1C[C@]12CCCc1ccccc12 253418578 WQLOVMXAGFICCQ-UWJYYQICSA-N 344.418 3.704 0 50 EHAA Cc1c(C(=O)Nc2cc(Cl)ccc2F)cccc1N1CCNC1=O 172999402 JYFJBPWWBRKRPF-UHFFFAOYSA-N 347.777 3.569 0 50 EHAA Cc1cc(C)n(-c2ccc(C(=O)NCCCCc3ccccn3)cc2)n1 77356739 TYQYGVCQEKFYQD-UHFFFAOYSA-N 348.450 3.637 0 50 EHAA Cc1ncc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)s1 77284986 JOASZQWOEMGEHL-ZDUSSCGKSA-N 334.416 3.522 0 50 EHAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 77392830 WTAFHXWEMNSICI-FQEVSTJZSA-N 335.447 3.670 0 50 EHAA O=C(NC[C@H]1CCC[C@@H](CO)C1)C1(c2ccccc2F)CCCC1 492541767 WPQWRFIDXWMFSF-JKSUJKDBSA-N 333.447 3.552 0 50 EHAA C[C@H](NC(=O)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1ccccc1)c1ccccc1 241653319 PUERSTCNBRKEBJ-MVJPYGJCSA-N 348.446 3.557 0 50 EHAA Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)o1 176167911 STDKLCYBZCELKV-INIZCTEOSA-N 325.364 3.557 0 50 EHAA COc1ccc2[nH]cc(CC(=O)N(C)Cc3ccccc3F)c2c1 340262758 XGILKHOPZAQQJP-UHFFFAOYSA-N 326.371 3.517 0 50 EHAA Cc1cc(C(=O)N2CCCC[C@@H]2c2ccn(C)n2)c2cccc(C)c2n1 82086736 PBGFYOAHZOOMGO-LJQANCHMSA-N 348.450 3.953 0 50 EHAA Cc1ccc(C)c([C@@H]2CN(Cc3ccc(C(=O)O)cc3)[C@@H](C)CO2)c1 263579201 UHPPESLWHSPOJA-JXFKEZNVSA-N 339.435 3.964 0 50 EHAA Fc1ccccc1C1(CN[C@H]2CCOC3(CCOCC3)C2)CCCC1 82121283 AJNWBDXHCGGTSK-KRWDZBQOSA-N 347.474 3.955 0 50 EHAA O=C(NCc1csc(N2CCCC2)n1)c1cc2c(s1)CCCC2 91645570 FEUVYRKFXIALFT-UHFFFAOYSA-N 347.509 3.614 0 50 EHAA CN(CCc1nc2cc(Cl)ccc2[nH]1)c1nnc(C2CCC2)o1 95387708 SYWNLBPGGOJPDT-UHFFFAOYSA-N 331.807 3.546 0 50 EHAA Cc1nc(C(=O)N(C[C@H](O)c2ccccc2)C2CCCCC2)cs1 96160789 SZONTBJXBHXWRJ-SFHVURJKSA-N 344.480 3.960 0 50 EHAA CC(C)[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@H]1N(C)C 95517605 XTOBRDPDSUXYHI-JKSUJKDBSA-N 330.394 3.603 0 50 EHAA O=C(c1cn2ccsc2n1)N(Cc1c(F)cccc1Cl)C1CC1 91950957 KFUNZZGFYZTZKU-UHFFFAOYSA-N 349.818 3.993 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N1CCC(CCn2cccn2)CC1 91966508 OKRRCLWYXVAMPP-UHFFFAOYSA-N 346.500 3.714 0 50 EHAA COc1ccccc1OC1CN(C(=O)c2cc3cccc(C)c3o2)C1 95371201 KLCQEPNXGWIZSH-UHFFFAOYSA-N 337.375 3.653 0 50 EHAA Cc1ccnc(Sc2ncccc2I)c1 335070 YIZUNXAKEJGYQU-UHFFFAOYSA-N 328.178 3.541 0 50 EHAA CCc1cc(NC(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)C2)no1 1334120030 BUJLRRNCJUPWTC-LJQANCHMSA-N 339.395 3.709 0 50 EHAA CCCn1c(C)nc2cc(NC(=O)[C@H](C)CN3CCCCC3)ccc21 952870269 ZIZALZVPKCVBLT-OAHLLOKOSA-N 342.487 3.815 0 50 EHAA Cc1nc(Cc2ccccc2)sc1[C@@H](C)N[C@@H]1C=C[C@H](CO)C1 170594022 FIGOXULFSBHRMH-XOKHGSTOSA-N 328.481 3.630 0 50 EHAA COc1cccc2c1CCN(C(=O)Cc1coc3cc(C)ccc13)CC2 170615841 SAJVPKITRLPCKK-UHFFFAOYSA-N 349.430 3.920 0 50 EHAA CCCCCN1C(=O)[C@]2(NC(=O)c3cccc(C)c3N2)c2ccccc21 170600976 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50 EHAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@H](NC(=O)c2ccco2)C1 12441898 QJSZVMFTLKBPPW-CYBMUJFWSA-N 327.428 3.811 0 50 EHAA O=C(Nc1ccnn1C1CCN(C2CCCC2)CC1)c1ccccc1 12578826 MADCSDKVIPKYFK-UHFFFAOYSA-N 338.455 3.715 0 50 EHAA CC[C@H]1CCc2sc(C(=O)NC3CCN(C(C)C)CC3)cc2C1 16602588 DSSXMAATKCAIHF-AWEZNQCLSA-N 334.529 3.866 0 50 EHAA CCCCc1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)[nH]c1=O 17879132 JDKMVTNCZMRNSH-UHFFFAOYSA-N 337.427 3.725 0 50 EHAA CCOc1ccc(-c2nccn2CCc2cnn(C)c2)cc1Cl 1857675510 BGIKETXWOFPUTD-UHFFFAOYSA-N 330.819 3.578 0 50 EHAA COCCN1CC[C@@H](CN(C)c2nc3cc(C(C)(C)C)ccc3o2)C1 1857681438 FENMERRYASBLJT-HNNXBMFYSA-N 345.487 3.530 0 50 EHAA c1cn(C[C@@H]2CCCN3CCCC[C@H]23)c(-c2ccc3c(c2)OCO3)n1 1857689924 OXSWLJPRYCVKJH-DLBZAZTESA-N 339.439 3.543 0 50 EHAA O=C(C1CC1)N1CCC[C@@H](n2ccnc2-c2ccc3ncccc3c2)C1 1857702329 JAQDBKVNQZCJRY-GOSISDBHSA-N 346.434 3.672 0 50 EHAA COc1ccc2c(c1)CN([C@@H](C)c1nc(Cc3ccccc3)no1)CC2 130279026 XSNYLEISCDFWJJ-HNNXBMFYSA-N 349.434 3.788 0 50 EHAA Cc1cccnc1C(=O)N[C@@H]1CCOc2c1ccc(Cl)c2Cl 754475867 RIASQVSKRJEVFJ-GFCCVEGCSA-N 337.206 3.950 0 50 EHAA c1cncc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ccc3occc3c2)c1 253596115 NIMCSTQUTATOKZ-CTNGQTDRSA-N 347.462 3.924 0 50 EHAA Cc1ccc2oc(NC3CCN(c4cc(C)nc(C)n4)CC3)nc2c1 267398380 OTZROXQDUVXRET-UHFFFAOYSA-N 337.427 3.624 0 50 EHAA CSc1ccccc1CN(C)C(=O)c1c[nH]c2ccccc2c1=O 390833250 FGNOGNFFLUHYII-UHFFFAOYSA-N 338.432 3.522 0 50 EHAA CCn1c(NC(=O)c2cnc(CC(C)(C)C)s2)nc2cccnc21 820446741 ABEMLGAVUTUWRC-UHFFFAOYSA-N 343.456 3.749 0 50 EHAA Cn1nc(C2CCCC2)cc1NC(=O)c1ccnc(-c2ccco2)c1 935320565 FFMYJOIIDPDDCY-UHFFFAOYSA-N 336.395 3.985 0 50 EHAA CCC[C@@H]1C[C@@H](c2nc(COc3ccc(Cl)nc3)no2)CCO1 864096535 DBWIMGMJALOUTE-NWDGAFQWSA-N 337.807 3.760 0 50 EHAA C[C@H](c1ccc(C(F)(F)F)cc1)[S@](=O)Cc1ccn(CCF)n1 1875279289 MLPNCEDGZLCZEH-QVQLBTGDSA-N 348.365 3.881 0 50 EHAA Cc1cc([C@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)n[nH]1 1179158616 AFQVCKFAEGLFCO-QGZVFWFLSA-N 339.439 3.799 0 50 EHAA Cc1cccc2nc(C3CCN(c4cccc5nncn45)CC3)oc12 893375363 ZZPDZQOJHLTVPE-UHFFFAOYSA-N 333.395 3.563 0 50 EHAA CC(C)c1ccc(Nc2nnc(SCc3nnc(N)o3)s2)cc1 1775992009 OJAHJEBEYKVTIY-UHFFFAOYSA-N 348.457 3.663 0 50 EHAA Cc1nc(C[S@@](=O)c2ccc3[nH]ncc3c2)sc1C(C)(C)C 899289953 XXLILJVZKXVPAH-JOCHJYFZSA-N 333.482 3.933 0 50 EHAA O=C(c1ccc2cc[nH]c2n1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 2100542968 KNXAYFSISADAQZ-RBUKOAKNSA-N 347.418 3.555 0 50 EHAA CCc1cc([C@@H]2CCCCN2Cc2cnc3ccc(OC)cn23)on1 2325852436 FYNAAPZZIHDMJR-KRWDZBQOSA-N 340.427 3.621 0 50 EHAA Nc1c(C(=O)N2CCCCC2)sc2nc3c(cc12)CCCCC3 301880 ZIEBPEDNMOQZDI-UHFFFAOYSA-N 329.469 3.774 0 50 EHAA CCOc1ccc(C(=O)NC(=S)Nc2cc(C)ccn2)cc1Cl 453460 AVDWGAZZEWCGME-UHFFFAOYSA-N 349.843 3.569 0 50 EHAA Cc1ccc(C(=O)[C@@H](OC(=O)c2cnccn2)c2ccccc2)cc1C 460840 NOEFYEQSZJCHKO-FQEVSTJZSA-N 346.386 3.874 0 50 EHAA CC(=O)Nc1cccc(C(=O)OCC(=O)c2cccc3ccccc23)c1 461067 WUNALKBYVXVEFD-UHFFFAOYSA-N 347.370 3.838 0 50 EHAA Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)n3cccn3)c2c1 527695 NZFOHRMWBJBCED-UHFFFAOYSA-N 328.375 3.799 0 50 EHAA O=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc(CSc2ccccc2)o1 2356134970 KTFAUGUOSFKZRM-HUUCEWRRSA-N 345.464 3.853 0 50 EHAA O=C(COC(=O)c1cccs1)c1cccc(Br)c1 4520382 GMJBVYRQHMQOHK-UHFFFAOYSA-N 325.183 3.550 0 50 EHAA COc1ccc(-c2nn3c(-c4ccccc4F)nnc3s2)cc1 4855623 VEYGFMXSGOYOBA-UHFFFAOYSA-N 326.356 3.668 0 50 EHAA Cc1cc(NC(=O)CC(C)C)cc(-c2nc3ncccc3o2)c1O 6716011 WTCMRUWFMQJLQN-UHFFFAOYSA-N 325.368 3.888 0 50 EHAA CC1(C)C(=O)[C@@]2(C(=O)Nc3ccccc3Br)CC[C@H]1C2 100748922 VQQAUGVXWFBOPU-MGPLVRAMSA-N 336.229 3.783 0 50 EHAA CCO[C@H](CNC(=O)CSc1ccccc1C)c1ccccc1 225549953 SWKPFCVRYQSECK-QGZVFWFLSA-N 329.465 3.981 0 50 EHAA CC(C)c1cnc(-c2ccc(NC(=O)NC[C@H]3CC[C@@H](O)C3)cc2)o1 225595304 ITLLPPOOLZLDKO-XJKSGUPXSA-N 343.427 3.748 0 50 EHAA CC[C@@H](C)CN1CCC(n2cc(-c3ccc(OC)cc3)nn2)CC1 55120593 WKNWBHRZXZKHCD-OAHLLOKOSA-N 328.460 3.637 0 50 EHAA OCC[C@@H]1CN(Cc2cc3ccccc3s2)CCN1C1CCCC1 20782767 XKRMECMFVSVQKP-GOSISDBHSA-N 344.524 3.713 0 50 EHAA COc1ccc([C@H]2CSCCN2C(=O)c2ccc(F)cc2)cc1 20723334 WAZTXBAQISDOOP-QGZVFWFLSA-N 331.412 3.765 0 50 EHAA CC[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1cnc2n1CCCC2 67743465 JUPASVJHWUEJST-AWEZNQCLSA-N 332.835 3.702 0 50 EHAA CCc1c(C)sc(NC(=O)COc2ccccc2C)c1C(=O)OC 2764014 GOQOUIAKNIWQME-UHFFFAOYSA-N 347.436 3.731 0 50 EHAA C[C@@]1(CCc2ccccc2)OC(=O)N(CCc2ccccc2)[C@@]1(C)O 4686860 YZRUAHZNAPSQLK-SFTDATJTSA-N 339.435 3.781 0 50 EHAA CC[C@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1ccncc1 72158600 HOCLDFBALFMBCA-INIZCTEOSA-N 336.443 3.979 0 50 EHAA Cc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cn1 154981493 IZLCSRRBEMJGRY-UHFFFAOYSA-N 330.815 3.730 0 50 EHAA COC(C)(C)c1csc([C@@H]2CN(Cc3ccccc3)CCO2)n1 253392566 NBUOSSWCUYZHMC-HNNXBMFYSA-N 332.469 3.598 0 50 EHAA CC(C)(C(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1ccccn1 253404870 USXWDYBSEFFQMR-MRXNPFEDSA-N 344.842 3.613 0 50 EHAA Cc1cc(CNC(=O)N[C@@H]2CCCOc3ccccc32)ccc1F 155819575 AKZVQPVNRMTOAN-QGZVFWFLSA-N 328.387 3.847 0 50 EHAA O=C(c1ccc(OCC2CCCCC2)cc1)N1CC[C@H]2CC[C@@H](C1)N2 262632106 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3.882 0 50 EHAA COc1ccc(NC(=O)Cc2ccc(Br)cc2)c(C)c1 13326910 UUHQKLFBQGYUMI-UHFFFAOYSA-N 334.213 3.947 0 50 EHAA CC[C@H]1CN(Cc2ccc(O)c(OC)c2)Cc2cc(OC)ccc2O1 15002800 HQIVCABDESGHBN-INIZCTEOSA-N 343.423 3.583 0 50 EHAA CN(Cc1ccncc1)CC1CCN(CCc2cccc(F)c2)CC1 15073771 NNPFGBSBCSWLFW-UHFFFAOYSA-N 341.474 3.607 0 50 EHAA C[C@@]12CC3CC(C(=O)Nc4sccc4C(N)=O)(C1)C[C@](C)(C3)C2 16552148 APLMNRSCSDCCCO-YVBDQSFBSA-N 332.469 3.782 0 50 EHAA COc1ccc(Br)cc1CNCCc1ccccc1F 19841318 QJKPFRMKVKSLRQ-UHFFFAOYSA-N 338.220 3.929 0 50 EHAA CCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OC)cc1 1777963 PNMVRNUKYQDHMR-JLHYYAGUSA-N 339.391 3.914 0 50 EHAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(Cc3cccc4[nH]ccc34)C[C@H]21 1857708306 MVHCTUIPUGBDFC-LBLLVPRASA-N 338.451 3.601 0 50 EHAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCC[C@H]1c1cccnc1 1857738626 QJNDAYMZBWPEKA-KRWDZBQOSA-N 332.407 3.757 0 50 EHAA Oc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2cc[nH]n2)c1 20998584 QJGSLCUCLZKJIC-NRFANRHFSA-N 344.418 3.744 0 50 EHAA 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CC1(C)[C@H]2CC=C(CCOC(=O)c3cnn(-c4ccccc4)n3)[C@@H]1C2 2325865923 UUQMNYNOQRAAFX-RDJZCZTQSA-N 337.423 3.807 0 50 EHAA CC(C)c1ccc(-c2csc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2)cc1 2325866577 QECHOCVFTZLCGO-CVEARBPZSA-N 341.480 3.648 0 50 EHAA CC1CCN(C(=O)NC[C@H]2CCCN(c3ccc(Cl)cc3)C2)CC1 2325899968 GNTHSFFMWBHXAG-MRXNPFEDSA-N 349.906 3.998 0 50 EHAA CCCc1cc(C(=O)OC)c(NC(=O)Cc2ccc(F)cc2)s1 371144 KTZPHLINXMTLJW-UHFFFAOYSA-N 335.400 3.808 0 50 EHAA COC(=O)c1c(N)n(-c2ccc(C)cc2C)c2nc3ccccc3nc12 90164 VXKYIHSTVBDUTL-UHFFFAOYSA-N 346.390 3.559 0 50 EHAA O=C1C(Cl)=C(N2CCCCCC2)C(=O)N1c1ccc(Cl)cc1 122028 OVBKEQDGEGFESI-UHFFFAOYSA-N 339.222 3.540 0 50 EHAA CCOC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 226823 DPXRIGGLPDJAJL-YPMHNXCESA-N 339.317 3.720 0 50 EHAA O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2cccs2)CC1 269522 BHBRBNNTGLXXGB-UHFFFAOYSA-N 348.855 3.892 0 50 EHAA COc1ccc(NC(=O)COc2c(C)cc(C)cc2C)c(OC)c1 377896 LCUIZSPPSLJJCW-UHFFFAOYSA-N 329.396 3.647 0 50 EHAA Cc1cc(C)c(O)c(NC(=S)NC(=O)c2cccc(Cl)c2)c1 456045 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CC(C)c1ccc(N2CCC[C@](CO)(CCc3ccccc3)C2)nn1 67867698 WZZVGCSJVJUHPY-NRFANRHFSA-N 339.483 3.812 0 50 EHAA Fc1cc(F)c(F)c(SCn2cc(Br)cn2)c1F 2782873 LFWXQIXKBQCVFI-UHFFFAOYSA-N 341.127 3.952 0 50 EHAA Cc1ccc2nc(NC(=O)c3noc4c3C[C@@H](C)CC4)sc2c1 2803892 ITWNXEWVMBLXNS-VIFPVBQESA-N 327.409 3.970 0 50 EHAA Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cc(O)nc(C(C)C)c1 429929734 UGLYJZHVIOTWEY-UHFFFAOYSA-N 336.395 3.861 0 50 EHAA O=C(CCc1ncccn1)N1CCCC[C@H]1c1cccc(Cl)c1 360453259 CRMKFULKMLTQOO-INIZCTEOSA-N 329.831 3.816 0 50 EHAA O=C(Nc1cc(Cl)cc2c1OCC2)N1CCCC[C@H]1c1cn[nH]c1 120511442 ITEJUHGUKLNTQD-HNNXBMFYSA-N 346.818 3.757 0 50 EHAA Cc1c([C@@H](C)NC[C@@H](O)c2ccsc2)cnn1-c1ccc(F)cc1 154459340 NEFPEEXJAOESCB-KZULUSFZSA-N 345.443 3.766 0 50 EHAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC[C@@H]1c1ccc(F)cc1 77298408 HLOGYMXATHYYII-QGZVFWFLSA-N 336.370 3.588 0 50 EHAA CN(Cc1cc2ccccc2o1)C(=O)NCc1cccc2c1OCO2 175360315 UIODGJVULAYENK-UHFFFAOYSA-N 338.363 3.503 0 50 EHAA CSc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1 13737260 RNBNBJDUFFLLCX-UHFFFAOYSA-N 333.501 3.891 0 50 EHAA O=S(=O)(Nc1cc(F)c(F)c(F)c1)c1ccc(Cl)s1 130442838 UDSNKHNPBAGUGH-UHFFFAOYSA-N 327.736 3.620 0 50 EHAA CC[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2F)CCN1C 222800281 VIRFFWNPYLAUHF-OAHLLOKOSA-N 326.415 3.659 0 50 EHAA Cc1cc(N2CCCN(C(=O)c3ccc4c(c3)CCCC4)CC2)ccn1 220643826 GJBRNSNKNWETNQ-UHFFFAOYSA-N 349.478 3.621 0 50 EHAA CSc1cccc(CN(C)C(=O)NCCc2scnc2C)c1 426624986 ZJGKTFQXWRBXSB-UHFFFAOYSA-N 335.498 3.558 0 50 EHAA Cc1cccc([C@@H](NC(=O)c2ccc3cccc(F)c3n2)C2CC2)n1 91616799 VEMILUIBWALMFA-IBGZPJMESA-N 335.382 3.958 0 50 EHAA CN(Cc1ccc(-c2cc[nH]n2)s1)Cc1noc2c1CCCC2 97076574 UBKZRQJYYJDFET-UHFFFAOYSA-N 328.441 3.637 0 50 EHAA O=C1[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@H]2C(=O)N1Cc1ccccc1 239121087 JHGHFJZNDJPHAA-OMQSBVIBSA-N 331.415 3.611 0 50 EHAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)[C@H]21 248329610 DMPSOXOMPHMNQE-XPGWFJOJSA-N 347.414 3.967 0 50 EHAA COCC1(CNC(=O)Cc2csc(-c3ccccc3)n2)CCCC1 456887559 UNILEPZJLVCPBJ-UHFFFAOYSA-N 344.480 3.676 0 50 EHAA Cc1cc(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)ccn1 299768531 XYDPHCNQAJDMHK-HBMCJLEFSA-N 349.478 3.574 0 50 EHAA Cc1ccc2nc(CN3CCCC[C@@H]3c3nccs3)nc(N)c2c1 299773551 DDRWIHPXOBCUML-OAHLLOKOSA-N 339.468 3.704 0 50 EHAA Cc1cc(F)cc2[nH]c(C(=O)NCC(C)(C)N3CCC[C@H](C)C3)cc12 170629542 VQILOOCDHZBUFU-ZDUSSCGKSA-N 345.462 3.856 0 50 EHAA CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccc(C(=O)O)cn1 190619051 KMVYAWMEKZHROU-UHFFFAOYSA-N 346.386 3.719 0 50 EHAA CCC[C@]1(COC)CCCN1Cc1nc(CCc2ccccc2)no1 194928776 HXUZQDGZFDNJPL-HXUWFJFHSA-N 343.471 3.636 0 50 EHAA Cc1ccc(CN(C)C(=O)CC(=O)Nc2cccc(Cl)c2C)o1 1506422579 QMQRRDDRKOVALK-UHFFFAOYSA-N 334.803 3.537 0 50 EHAA CC(C)COc1ccccc1CN(C)C[C@@H]1CCC(=O)N(C(C)C)C1 1775981327 KGMZDXMGEUPLBC-SFHVURJKSA-N 346.515 3.800 0 50 EHAA CC1(C)Cc2c(sc3ncn4nc(-c5cccs5)nc4c23)CO1 5345620 NLNUKSHEFHHPAP-UHFFFAOYSA-N 342.449 3.919 0 50 EHAA COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2ccccn2)C1 11666473 SFROUKACHZPBCN-CQSZACIVSA-N 344.842 3.839 0 50 EHAA CCCCC[C@H](O)CC[C@@H]1CCC(=O)N1CCCCCCC(=O)O 13488372 CBWGHEDGUILASE-SJORKVTESA-N 341.492 3.734 0 50 EHAA in-vitro COc1ccc(-n2ncc([C@@H](C)NC3CCSCC3)c2C)cc1 15067869 REWFDLHNUMVACR-CYBMUJFWSA-N 331.485 3.736 0 50 EHAA COc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1 16671760 SDNVQULEUKPBKF-DHDCSXOGSA-N 327.361 3.642 0 50 EHAA Cc1cccnc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 18231273 BUMAIDGYXUXDMC-UHFFFAOYSA-N 335.411 3.845 0 50 EHAA Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl 19920718 GUKAOQYUKDAHNU-UHFFFAOYSA-N 328.843 3.606 0 50 EHAA O=C(CCc1cccc(Cl)c1)N1CCc2[nH]nc(C3CC3)c2CC1 1857676800 MBUKTUHBCYKLLI-UHFFFAOYSA-N 343.858 3.501 0 50 EHAA CC(C)[C@@H](CCO)NCc1cn(C2CCCC2)nc1-c1ccccn1 459428808 WKEAWGWHFZYUNS-GOSISDBHSA-N 342.487 3.557 0 50 EHAA CN(C)c1cccc(C(=O)Nc2cc(F)ccc2OCC2CC2)c1 252508244 XHYRXGOPYCVTKW-UHFFFAOYSA-N 328.387 3.933 0 50 EHAA O=C(O[C@@H](c1ccccc1)C(F)F)[C@H]1CC(c2cccc(F)c2)=NO1 813974827 VNQOFLKFNNCRCD-CVEARBPZSA-N 349.308 3.868 0 50 EHAA Cc1cnc(C(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)c(C)c1 809228293 GPJGVCZKNCCJRY-HNNXBMFYSA-N 340.427 3.716 0 50 EHAA CC(C)N(Cc1ccco1)C(=O)C[C@H]1CC(=O)Nc2ccccc21 931002797 KMVJKVOQVPHVBO-CQSZACIVSA-N 326.396 3.533 0 50 EHAA CC[C@H](NC(=O)c1cc(Br)cs1)[C@H]1CCCCO1 654290691 USQCOZWRECMBEP-WDEREUQCSA-N 332.263 3.588 0 50 EHAA COc1ccc(CN2CCN(c3cccc(C)c3C)CC2)c(OC)c1 292097 BCKLXIFYLDYUOV-UHFFFAOYSA-N 340.467 3.643 0 50 EHAA Cc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)c(O)c1 359514 GCVSITQOKFAPNA-UHFFFAOYSA-N 336.416 3.981 0 50 EHAA COC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@@H](C)C2 473262 RRZDOOCTCAWMRQ-SECBINFHSA-N 333.409 3.813 0 50 EHAA CC(C)COc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1 543234 NSMRLRSTQVLOKJ-UHFFFAOYSA-N 337.423 3.570 0 50 EHAA CCOC(=O)c1cccc(N2C(=O)c3cccc4cccc(c34)C2=O)c1 610195 BOYUHMMURIMPRG-UHFFFAOYSA-N 345.354 3.817 0 50 EHAA O=C(Cc1nc2ccccc2s1)C(=O)Nc1cccc(Cl)c1 1617361 LHHWGVDPVBQMPG-UHFFFAOYSA-N 330.796 3.700 0 50 EHAA CC(=O)Nc1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1 2686726 DOZKHNJYAHGICL-UHFFFAOYSA-N 344.239 3.593 0 50 EHAA COc1ccc(Cl)cc1S(=O)(=O)Oc1c(C)cccc1C 2997768 RMMANHKETYEQKM-UHFFFAOYSA-N 326.801 3.733 0 50 EHAA CC(C)N1CCC[C@@]2(CCCN2Cc2nc3ccccc3s2)C1=O 2356152982 LEZVPEKCIRVUTF-IBGZPJMESA-N 343.496 3.662 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc2c(c1)OCO2 4324496 YCUKINDCJWOGKU-UHFFFAOYSA-N 327.424 3.638 0 50 EHAA CCN(CC)C(=O)c1ccc(Cl)c(NC(=O)c2occc2C)c1 55307078 PCYKTXOAPGZGKK-UHFFFAOYSA-N 334.803 3.976 0 50 EHAA CC[C@@H](C)N(Cc1ccncc1)C(=O)C1(c2ccc(OC)cc2)CC1 55118758 MZAUKQCRVAAADT-MRXNPFEDSA-N 338.451 3.949 0 50 EHAA c1ccc(-c2nnc3sc(Cc4cccc5ccccc45)nn23)nc1 9530834 ZWXLIWRVELQBOG-UHFFFAOYSA-N 343.415 3.992 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)Cc2ccccc2Cn2cccn2)c1 55269721 MOZAYXHLVTXVIR-SFHVURJKSA-N 334.467 3.698 0 50 EHAA CCC[C@@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1nccn1C 55196261 IODZQZHFVUAUNP-MRXNPFEDSA-N 327.407 3.580 0 50 EHAA C[C@@H](c1ccc(O)c(F)c1)n1ccnc1-c1ccc2c(c1)OCO2 67604925 VDEFAYVSMGBJEY-NSHDSACASA-N 326.327 3.733 0 50 EHAA Cc1cc(C)nc(S[C@@H](C)c2nc(Cc3ccccc3)n[nH]2)n1 65385595 OHXVSQMLWCQRBK-ZDUSSCGKSA-N 325.441 3.656 0 50 EHAA CCc1ccc(CN2CCc3onc(-c4cccc(OC)c4)c3C2)nc1 67654445 KBMGXJSILWPDOY-UHFFFAOYSA-N 349.434 3.866 0 50 EHAA Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1ncsc1C(F)(F)F 281033966 WTKBEZSMBOSCQJ-JTQLQIEISA-N 342.342 3.642 0 50 EHAA C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1cccc(-n2cccc2)c1 2803982 MQBIMLQMJADTGO-AWEZNQCLSA-N 344.411 3.656 0 50 EHAA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)cc2)CC(=O)N1 4986856 UOPGJGZCQUIORH-HNNXBMFYSA-N 333.815 3.703 0 50 EHAA COc1ccc2cc([C@H]3CN(Cc4nccs4)CCO3)ccc2c1 71750238 XSSRKCSSEDPLKC-GOSISDBHSA-N 340.448 3.878 0 50 EHAA CC(C)CN1CCN(Cc2ccc(F)c(C(F)(F)F)c2)[C@@H](C)C1=O 72163938 DUSVPNLIFSFXNZ-LBPRGKRZSA-N 346.368 3.533 0 50 EHAA CCn1ncc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c1C 71753234 XKXLWNAIWFACGI-KRWDZBQOSA-N 343.446 3.836 0 50 EHAA COC(C)(C)CS(=O)(=O)N(C)c1ccc(Oc2ccccc2)cc1 240278298 DQFCFQONLPUWJF-UHFFFAOYSA-N 349.452 3.670 0 50 EHAA O=C(O)CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 261841416 ITKGYNWGAMAILF-AVGNSLFASA-N 335.366 3.601 0 50 EHAA Cc1cc2nc(-c3ccccc3)cc(N[C@H](C)c3cnn(C)c3C)n2n1 72456729 CWVHYKJKLBUSSG-CQSZACIVSA-N 346.438 3.920 0 50 EHAA COc1ccc(OC[C@H](O)CN2CCCC[C@H]2C)c(C(C)(C)C)c1 241946712 UNIOPIHHZCUNIF-HZPDHXFCSA-N 335.488 3.607 0 50 EHAA Cc1ncsc1CCN(C)C(=O)Cc1c(C)[nH]c2c(F)cccc12 72424704 XXLFVWJSKYLMBG-UHFFFAOYSA-N 345.443 3.624 0 50 EHAA O=C(c1ccccn1)[C@@H]1CCCN(Cc2cc(-c3ccccc3)no2)C1 215520583 BPYMVNZJYHBLIM-QGZVFWFLSA-N 347.418 3.832 0 50 EHAA Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc3cn[nH]c3c2)o1 129926765 VTESGMKWDUJDBQ-LJQANCHMSA-N 345.406 3.554 0 50 EHAA Cc1c[nH]c(CN2CCC[C@H](CCc3ccc(F)cc3)C2)c(C)c1=O 72133136 IMWNXIGWFIIVNQ-GOSISDBHSA-N 342.458 3.976 0 50 EHAA CCOc1cccc(-c2nc3c(cnn3Cc3cccs3)[nH]2)c1O 48112474 OVUADLYBGVIJSQ-UHFFFAOYSA-N 340.408 3.641 0 50 EHAA CCN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCCC[C@@H]1C 245405133 RTICUYDIBSQRIY-QRTARXTBSA-N 346.496 3.917 0 50 EHAA COc1cccc2c1ccn2CC(=O)N1CCCC[C@@H]1c1cccnc1 226847816 RJOBCAFAVLNCDM-GOSISDBHSA-N 349.434 3.799 0 50 EHAA CCCCn1ccc2c(cnc3c(-c4ccccc4)c(C)nn32)c1=O 40387971 DPMVPOXATVQKSZ-UHFFFAOYSA-N 332.407 3.820 0 50 EHAA CC(C)n1ccnc1CNC(=O)[C@]1(c2ccccc2)CC12CCCC2 426369926 JOCSWQLLMIOSDF-OAQYLSRUSA-N 337.467 3.982 0 50 EHAA CCC[C@H]1COCCN1C(=O)c1cccc(-c2ccc(O)c(F)c2)c1 426535222 SABIABJRCXKMCE-KRWDZBQOSA-N 343.398 3.839 0 50 EHAA Cc1cccc(SC2CCN(c3cccc(C(=O)O)n3)CC2)c1 95504695 RUPRUMHQSREPSP-UHFFFAOYSA-N 328.437 3.849 0 50 EHAA Cc1cccc([C@H](C(=O)NCc2cccc(OC(F)F)c2)N(C)C)c1 91593764 RUFLLOURZBSUJA-QGZVFWFLSA-N 348.393 3.516 0 50 EHAA Cc1c(CN2CCC[C@H](c3nc4ccccc4s3)C2)cnn1C 244748495 OIQKKUBGSYBFDP-AWEZNQCLSA-N 326.469 3.718 0 50 EHAA C[C@@H]1CCCN(c2ccc(Cl)cc2NC(=O)C2(N)CCCC2)C1 952980221 WLHOFWIDDKDPRQ-CYBMUJFWSA-N 335.879 3.786 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H](C)c3cccc(F)c3F)C2)c1 165897891 FOIPFHFJRMYLQP-UONOGXRCSA-N 348.397 3.577 0 50 EHAA Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cnn(C3CCC3)c2)o1 891770162 OCZSESANDMTMAD-LJQANCHMSA-N 349.438 3.599 0 50 EHAA CSc1ccsc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C 187243355 SFWQNYDVNRUVPA-IUODEOHRSA-N 334.510 3.891 0 50 EHAA Cc1cccc(N2C[C@H](C(=O)N(C3CC3)[C@@H](C)C(C)C)CC2=O)c1C 170607057 AKTYJRXXOYQXTB-DLBZAZTESA-N 342.483 3.692 0 50 EHAA COc1cnccc1[C@@H](C)NC(=O)N1CCCC[C@H]1c1nccs1 187491199 YIXLFNJYYHFDQW-OCCSQVGLSA-N 346.456 3.545 0 50 EHAA O=C(c1ccn(-c2ccccc2)n1)N1Cc2ccccc2C2(CC2)C1 187454542 USFHOTXVRQRXIY-UHFFFAOYSA-N 329.403 3.560 0 50 EHAA CC(=O)c1c(C)nc2nc(SCc3ccc(Cl)cc3)nn2c1C 5488557 ONJLQEPMIXRHIT-UHFFFAOYSA-N 346.843 3.889 0 50 EHAA CC(C)c1ccc(O[C@H](C)C(=O)NC2CCN(C(C)C)CC2)cc1 12383018 IHRZCFXLLCPJCQ-MRXNPFEDSA-N 332.488 3.566 0 50 EHAA O=C(N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl)c1ccccc1 19792352 PZMOFOSHQAISFK-ZDUSSCGKSA-N 344.629 3.620 0 50 EHAA CCn1ccnc1CN[C@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1 19794378 LFYPFFQPKFVIKL-IBGZPJMESA-N 349.482 3.873 0 50 EHAA Cc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NC(C)C)cc1 2677852 VOYRIZZMXNGWAO-CPNJWEJPSA-N 336.435 3.599 0 50 EHAA Cc1cc(C)c2nc(O)c(-c3nccn3CC3CCOCC3)cc2c1 1857685662 OMUITWHKBGJMOT-UHFFFAOYSA-N 337.423 3.847 0 50 EHAA CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCCN(C)C 1912393 YCTBLTUVBXFJRE-UHFFFAOYSA-N 349.862 3.737 0 50 EHAA Cc1noc(Cl)c1CCC(=O)N1CCC[C@H]1COc1ccccc1 112934550 UISUFEQIEKWNFK-AWEZNQCLSA-N 348.830 3.639 0 50 EHAA CC(C)OC[C@@H](C)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 337331494 HHIHFFBQVYGZMB-CVEARBPZSA-N 341.455 3.798 0 50 EHAA COc1cccc([C@H](C)N[C@@H](C)C(=O)N[C@H]2CCc3ccccc32)c1 240900702 ITGYEGBVCFBUDO-AVYPCKFXSA-N 338.451 3.538 0 50 EHAA Cc1[nH]nc(C(F)F)c1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 253418608 XPBSDKRARGPLKH-CQSZACIVSA-N 348.397 3.506 0 50 EHAA C[C@@H](CN(C)Cc1cnn(C2CCCC2)c1-c1ccccc1)C(=O)O 263396571 ZLEOOURZAHFYHG-HNNXBMFYSA-N 341.455 3.818 0 50 EHAA N#CN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 390835148 DQFYMHLPJIOGTJ-UHFFFAOYSA-N 337.276 3.771 0 50 EHAA CCn1ccnc1C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1(C)C 928390822 DQIYERZTJWTXFO-HNNXBMFYSA-N 331.847 3.965 0 50 EHAA O=C(Nc1ccc(F)c(Cl)c1)c1cc(O)ncc1Br 1290071509 NURNWABQIIFZMI-UHFFFAOYSA-N 345.555 3.595 0 50 EHAA CCCNC(=O)c1cccc(CN[C@H](c2ccccn2)C2CCC2)c1 863984327 STTVLPAKUDCELM-FQEVSTJZSA-N 337.467 3.852 0 50 EHAA CC(C)Oc1cccc(C(=O)NCc2cnn3c2CCCC3)c1Cl 952876298 LHXBVUKKWMEKNN-UHFFFAOYSA-N 347.846 3.590 0 50 EHAA Cn1cnnc1-c1ccc(NC(=O)c2c(F)ccc3occc23)cc1 1875342268 HVGAUDGAIMPSRU-UHFFFAOYSA-N 336.326 3.620 0 50 EHAA C=CC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CC[C@H](O)C1 1875382477 CMJNQDVBEAZNRL-RISCZKNCSA-N 328.239 3.669 0 50 EHAA C[C@H]1CO[C@@H](CN(C)c2nc(-c3cccnc3)nc3ccccc23)C1 1875332939 RRLBAUDNVBFGNJ-GDBMZVCRSA-N 334.423 3.553 0 50 EHAA CC(C)(NCc1cc(Cl)c2c(c1)OCCO2)[C@H](O)c1ccccc1 1875330428 XKFVSVLLXAUMHI-GOSISDBHSA-N 347.842 3.713 0 50 EHAA Cc1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)c(C)c1 1775990279 KYEMDXSHAPKJPT-LJQANCHMSA-N 347.422 3.601 0 50 EHAA CN1CCN(C(=O)c2cncc(-c3ccccc3)c2)c2ccc(F)cc21 133680481 HGLVRQPYXKGYTN-UHFFFAOYSA-N 347.393 3.984 0 50 EHAA CC(C)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 449048 ABXGDOKKFMSGFV-GUMHCPJTSA-N 331.415 3.535 0 50 EHAA COc1cc(C=O)c(Br)cc1OCc1ccccc1F 455191 XEJZYDJKFRDDJT-UHFFFAOYSA-N 339.160 3.988 0 50 EHAA Cc1nc2ccc(NC(=O)Nc3ccc(N(C)C)cc3)cc2nc1C 780578 PMPCXMLYDKONIP-UHFFFAOYSA-N 335.411 3.957 0 50 EHAA CCc1ccc(N2C[C@H](C(=O)Nc3cc(C)cc(C)c3)CC2=O)cc1 1198394 KYDPQXDXNLLIGH-QGZVFWFLSA-N 336.435 3.857 0 50 EHAA CCCN1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1 2859214 HPXMOAUAJMCOCS-UHFFFAOYSA-N 329.366 3.701 0 50 EHAA Cc1cccc(-n2c(SCC(=O)O)nnc2-c2cccs2)c1C 4618198 LHZKMFZRJIUFTR-UHFFFAOYSA-N 345.449 3.789 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 344791257 SSFVIBOJUVPYEQ-SJKOYZFVSA-N 329.419 3.503 0 50 EHAA CC(C)CO[C@H]1CCN(CC(=O)Nc2cccc3ccccc23)C1 119941763 FOPLBQZMRPZGGI-KRWDZBQOSA-N 326.440 3.525 0 50 EHAA CC[C@H](NC(=O)[C@H](C)[C@@H](O)c1ccc(OC)cc1)c1cccs1 229872563 OPMPPOFIXKSNBT-ISTRZQFTSA-N 333.453 3.694 0 50 EHAA Cc1ccc(C(=O)NCCc2ccn(-c3ccccc3)n2)cc1Cl 483631520 DTKNSZIBMSDKHW-UHFFFAOYSA-N 339.826 3.807 0 50 EHAA CCc1ccc([C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1 1427877 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CCCC[C@H](NC(=O)CCc1nc2ccccc2[nH]1)c1cccnc1 670461964 DHURBOANODNAGC-INIZCTEOSA-N 336.439 3.938 0 50 EHAA O=C(NCCc1cccs1)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273378624 YNIDYRRLHZYTJI-NVXWUHKLSA-N 348.443 3.649 0 50 EHAA CC(C)c1nn(C)cc1CNc1ccc(C(=O)Nc2cccnc2)cc1 170616116 ONMXLNUMNPDSRR-UHFFFAOYSA-N 349.438 3.803 0 50 EHAA O=C([C@@H]1SCCc2sccc21)N1CCC(c2ccncc2)CC1 192267931 ISTVQRMBDXXFIL-QGZVFWFLSA-N 344.505 3.880 0 50 EHAA Cc1n[nH]c(C)c1NC(=O)Nc1ncc(Cc2ccccc2)s1 194801020 CUCYHFYRWJBGNG-UHFFFAOYSA-N 327.413 3.718 0 50 EHAA Cc1cc(=O)[nH]c(Sc2nnc(-c3ccccc3)c3ccccc23)n1 5062068 AMVCLXUZECAAHU-UHFFFAOYSA-N 346.415 3.840 0 50 EHAA C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1csc(CN)n1 237573162 YKJWVKRUZLGFCS-GHMZBOCLSA-N 337.876 3.519 0 50 EHAA Cc1cccc(NC(=O)c2ccc(Cl)cn2)c1C(=O)N1CCCC1 129514934 WCSAGFGGGIZDJY-UHFFFAOYSA-N 343.814 3.532 0 50 EHAA O=C(O)CC[C@H]1Cc2ccccc2N(C(=O)CCc2cccs2)C1 902827019 ITYVCDNPGSOBJQ-AWEZNQCLSA-N 343.448 3.751 0 50 EHAA Cc1ncc2c(n1)[C@]1(CCCN(c3nc4ccccc4s3)C1)CC2 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343.379 3.521 0 50 EHAA COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(F)c(Cl)c1 181963 SNDBPRPAUIWNKT-HNNXBMFYSA-N 337.734 3.777 0 50 EHAA Cc1ccccc1OCC(=O)Nc1ccc(Cc2ccncc2)cc1 266712 JCODKZBVFAGZIN-UHFFFAOYSA-N 332.403 3.998 0 50 EHAA COc1cccc(NC(=O)c2ccc(OC)c(Br)c2)c1 444604 ZPAZPRCSIOLBCO-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA C[C@@H](CN1CCCC1)Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O 2356145850 KYBWPDSPBDDBAN-NSHDSACASA-N 349.818 3.589 0 50 EHAA Cc1cccc(OCc2nn3c(-c4ccoc4C)nnc3s2)c1 4938998 NHEHBJYXCHWCMT-UHFFFAOYSA-N 326.381 3.642 0 50 EHAA COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1OC 6699225 ACYAEMAKHIMZOH-CABCVRRESA-N 343.423 3.657 0 50 EHAA CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(OC)c(OC)c1 8478137 CMEIYOYLTQMILQ-AWEZNQCLSA-N 345.395 3.509 0 50 EHAA Cc1c(-c2ccccc2)sc2nc(C3CCOCC3)[nH]c(=O)c12 225839967 HDANIEHLFXVTRC-UHFFFAOYSA-N 326.421 3.854 0 50 EHAA CCOCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 9878578 NFTWWOCTBNBNTQ-INIZCTEOSA-N 343.423 3.816 0 50 EHAA COC(=O)C(=C/C=C/N(C1CCCCC1)C1CCCCC1)C(=O)OC 55450625 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343.393 3.724 0 50 EHAA C[C@@](O)(CNC(=O)c1ccc(F)cc1C(F)(F)F)c1ccsc1 127337735 QZDRTAZMSHPVII-CQSZACIVSA-N 347.333 3.544 0 50 EHAA Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2Cn2ccnc2C)cc1F 151576737 QSPNMIDDPASDNN-YOEHRIQHSA-N 344.434 3.574 0 50 EHAA CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cccc(C)c2C)cc1 151876316 XFCJGVSPPGCBCM-HZPDHXFCSA-N 346.496 3.623 0 50 EHAA Cc1ccccc1OC1(C(=O)O)CCN(C/C=C/c2ccco2)CC1 72440776 FJEXFENHMADHJN-QPJJXVBHSA-N 341.407 3.599 0 50 EHAA Cc1noc2nc(C(C)C)cc(C(=O)NC3Cc4ccccc4C3)c12 49548092 RRHQSXSUSUFHKF-UHFFFAOYSA-N 335.407 3.552 0 50 EHAA CC(C)n1cccc1C(=O)N1CCC[C@H](c2ccc(C(=O)O)cc2)C1 95368839 ACUFQKHQOIJSLT-KRWDZBQOSA-N 340.423 3.787 0 50 EHAA c1ccc2sc(CCCn3cc(-c4nccs4)nn3)nc2c1 95386034 ZYHMDPUIUZSDSS-UHFFFAOYSA-N 327.438 3.644 0 50 EHAA CC(C)(C)CC(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1 95375518 BFRBJNGESKSJGY-CQSZACIVSA-N 346.500 3.530 0 50 EHAA Cn1nc(C2CCCCC2)cc1NC(=O)CCc1cncc(F)c1 181619925 KEVZICNXMTULOW-UHFFFAOYSA-N 330.407 3.573 0 50 EHAA CC(=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 257358809 WOUWWZYKGYDVMI-RPRDDUPSSA-N 332.484 3.774 0 50 EHAA C[C@@H](N)[C@H]1CCCN(C(=O)c2ccccc2OC2CCCCC2)C1 299738549 CEELBMBGKINAHO-CVEARBPZSA-N 330.472 3.598 0 50 EHAA CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccc(O[C@@H]2CCCCO2)cc1 498050834 GMBMJUCZTQHNDM-IXDOHACOSA-N 333.428 3.973 0 50 EHAA COc1ccc(NC(=O)NCCCNc2ccc(C)cn2)cc1Cl 952972018 ANRCQCFJLCZNDD-UHFFFAOYSA-N 348.834 3.676 0 50 EHAA CCN(CC)c1ccc(NC(=O)c2coc(C3CCCC3)n2)cn1 170597801 IFFUXQCXKNQAAF-UHFFFAOYSA-N 328.416 3.826 0 50 EHAA Cc1nc(Cc2ccccc2)sc1[C@H](C)N[C@@H]1C=C[C@H](CO)C1 170594023 FIGOXULFSBHRMH-RRQGHBQHSA-N 328.481 3.630 0 50 EHAA C[C@@H]1CC(NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)C[C@@H](C)O1 170611108 CPYDBCQGVJXZRK-WZRBSPASSA-N 336.398 3.562 0 50 EHAA O=C(Nc1ccc(OC(F)F)c2ncccc12)N1C[C@H]2CC[C@H]1C2 194360152 KNLZPIMDDVOMRU-QWRGUYRKSA-N 333.338 3.852 0 50 EHAA O=C(O)C1CCC(C(=O)N(CCc2ccccc2)C2CCCC2)CC1 194409495 NDDLPZDZFFIUFF-UHFFFAOYSA-N 343.467 3.891 0 50 EHAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 1506411642 SNDVBJYNMHQMNG-NSHDSACASA-N 334.828 3.532 0 50 EHAA COc1c(C)cnc(CN2CCC([C@H](O)c3cccs3)CC2)c1C 1529194793 CUWUPKOMKYCCNS-SFHVURJKSA-N 346.496 3.714 0 50 EHAA CCCN1C[C@H](Nc2ccnc3c(C(F)(F)F)cccc23)CC1=O 1529182584 VEEUIUDZEVSFGF-LLVKDONJSA-N 337.345 3.676 0 50 EHAA Cc1cc(SCC(=O)Nc2nc(-c3ccccc3)cs2)ncn1 11903012 FGWAHRXTSFWDAB-UHFFFAOYSA-N 342.449 3.639 0 50 EHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NCCC(C)C)C3 14978418 FCFNERJQTXIZLO-CQSZACIVSA-N 347.528 3.751 0 50 EHAA O=C(CCc1cccs1)N1CCO[C@@H](CCCc2ccccc2)C1 15067799 PCNJHZYJJZJJOP-SFHVURJKSA-N 343.492 3.931 0 50 EHAA COc1cc2c(cc1OC)[C@@H](c1ccccc1C(F)(F)F)NCC2 19726644 NUQQDNSTBXJLQC-QGZVFWFLSA-N 337.341 3.958 0 50 EHAA c1ccc(CN2CCC[C@H](NCc3ccc4ccccc4c3)C2)nc1 19733098 HWQPJRCEMTXHCT-QFIPXVFZSA-N 331.463 3.989 0 50 EHAA Cc1ccnc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccncc3)cc2)n1 1857528196 WWLIYMHMNPPJLL-MSOLQXFVSA-N 346.390 3.715 0 50 EHAA C[C@@H](N)[C@H]1CCCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 156526679 QIJMIDFRCWLTAA-PWSUYJOCSA-N 349.327 3.963 0 50 EHAA COCCN(C[C@@H]1CC=CCC1)C(=O)c1nccc2ccsc12 888100516 VWVKUNFTTZUMMN-CQSZACIVSA-N 330.453 3.741 0 50 EHAA CC(C)C(=O)NCCc1nc2ccccc2n1CCc1ccccc1 560827 QIZFDMOFHFYOSD-UHFFFAOYSA-N 335.451 3.594 0 50 EHAA CCCOc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1 4511383 IHMWRPAKFSHLDL-UHFFFAOYSA-N 337.408 3.704 0 50 EHAA C[C@@H](C(=O)NC[C@H](O)c1ccc2ccccc2c1)c1ccccc1F 109689688 VOGKESQXLSIOLM-VLIAUNLRSA-N 337.394 3.932 0 50 EHAA CC[C@@H](C(=O)O)n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 65089 RJKZODONBJBONO-LBPRGKRZSA-N 348.811 3.814 0 50 EHAA Cc1cc(OCC(=O)N2CCc3ccccc3C2)cc(C)c1Cl 449863 WSEWLZAWHMAXBY-UHFFFAOYSA-N 329.827 3.921 0 50 EHAA CN1CCC[C@@]2(CCCN2C(=O)c2ccc(-c3ccccc3)cc2)C1=O 2356168001 LPJMYTJQRDMXIN-JOCHJYFZSA-N 348.446 3.581 0 50 EHAA Cc1ccccc1C1=N/C(=C\c2ccc(Br)o2)C(=O)O1 4714038 PTWQCZLEODGNIX-WQLSENKSSA-N 332.153 3.695 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)COc2ccccc2Cl)cc1 4870362 PNHNMIHUFBFARF-UHFFFAOYSA-N 332.787 3.706 0 50 EHAA CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)cc1 225408245 JGBTYLJLEKXBPZ-UXHICEINSA-N 349.478 3.657 0 50 EHAA CCCC(=O)N1CCC[C@H](C(=O)O[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 225410762 AOBBONYGRHHJMK-ZJPYXAASSA-N 335.488 3.927 0 50 EHAA Cc1c(Cl)cccc1NC(=O)CSc1nc2ncccc2o1 8605809 JQRADACGNNTWED-UHFFFAOYSA-N 333.800 3.915 0 50 EHAA C[C@H](c1nccs1)N(C)Cc1ccc(Sc2ncccn2)o1 55108775 AZDLTFTVYLZQKY-LLVKDONJSA-N 332.454 3.870 0 50 EHAA CCCCn1ncc(C)c1NC(=O)c1cc(CN(CC)CC)oc1C 55269760 QGEFHGIQNZSWFM-UHFFFAOYSA-N 346.475 3.987 0 50 EHAA CCCc1ncn(Cc2nc(-c3ccccc3OCC)oc2C)n1 67560608 DVWXTKHJIORLNE-UHFFFAOYSA-N 326.400 3.641 0 50 EHAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cccc3cccnc23)C1 67758176 KKPKRRLPMWJVCF-INIZCTEOSA-N 334.423 3.540 0 50 EHAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 67713252 DNVFLYCRXYYEIG-GFCCVEGCSA-N 328.441 3.535 0 50 EHAA OC[C@@]1(Cc2ccccc2)CCCN(c2noc(-c3ccccc3)n2)C1 67909814 FKIPOGQVCQBGPY-OAQYLSRUSA-N 349.434 3.558 0 50 EHAA O=C1CCc2cc(C(=O)N3CCC=C(c4ccccc4)C3)ccc2N1 328586737 RHEHIYAZOUBISB-UHFFFAOYSA-N 332.403 3.501 0 50 EHAA CCc1nn(C)c(Cl)c1CN1CCC2(CC1)CNc1ccccc12 215263328 ZSCYXZCJCPZTDA-UHFFFAOYSA-N 344.890 3.595 0 50 EHAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1 6402443 HGVAJYUWPFBDPF-QZTJIDSGSA-N 338.407 3.502 0 50 EHAA Cc1ccc(-c2ccc(CCC(=O)N[C@H]3CC[C@H]3NC(C)C)o2)cc1 72151717 NSQDPSPONYRZNW-MOPGFXCFSA-N 340.467 3.833 0 50 EHAA O=C1CCCCCN1CCC(=O)N1CCCC[C@H]1c1ccc(F)cc1 77456602 WEQNXHAUWKFXKK-SFHVURJKSA-N 346.446 3.672 0 50 EHAA CC(C)n1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cn1 77389895 YZGBURZTXNUURT-UHFFFAOYSA-N 338.411 3.625 0 50 EHAA CCn1c(NCc2c[nH]nc2-c2cccnc2)nc2cc(F)ccc21 128907446 ITBUVYMAHRXUFR-UHFFFAOYSA-N 336.374 3.593 0 50 EHAA Cc1nc(N2CC3(CCOCC3)[C@@H]2c2ccccc2)c2cc[nH]c2n1 334128440 RJDIWPJVABIODB-KRWDZBQOSA-N 334.423 3.624 0 50 EHAA Cc1cccc(C)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 33088836 BDGVGLQLTNFRMC-CQSZACIVSA-N 332.403 3.988 0 50 EHAA CC(C)[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ccccn1 72408500 MNHLGMLWVASYLB-IBGZPJMESA-N 340.467 3.912 0 50 EHAA Cc1cccnc1N1CCN(Cc2ccc([C@@H]3CCCO3)s2)CC1 72166038 XMEFHKJUVJOSLH-KRWDZBQOSA-N 343.496 3.625 0 50 EHAA O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1C[C@H]1C1CCCCC1 172832733 TWKKHNHEUWSDOT-JKSUJKDBSA-N 325.456 3.828 0 50 EHAA CSCc1ccc(C(=O)N(C)Cc2cccc3ncccc23)o1 77341827 SKSODXYUKBRGOS-UHFFFAOYSA-N 326.421 3.963 0 50 EHAA CC(C)[C@H]1CN(C(=O)NCc2ncnn2C(C)(C)C)c2ccccc21 283168094 NCPPUMDVRDFNHN-OAHLLOKOSA-N 341.459 3.503 0 50 EHAA Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3ccncc3)c12 49545676 WGIADIDHZZKCOY-UHFFFAOYSA-N 344.374 3.523 0 50 EHAA O=C(NCCc1cccc(Oc2ccccc2)c1)[C@H]1CCC[C@@H](O)C1 222537226 JSJOUJMFOQJIIG-ZWKOTPCHSA-N 339.435 3.689 0 50 EHAA COc1ccccc1OC1CN(C(=O)c2cccc(-c3ccco3)c2)C1 82087909 CQZJFTZKPOSYEH-UHFFFAOYSA-N 349.386 3.859 0 50 EHAA CNC(=O)c1ccc(NC(=O)N2CC[C@@H](C)C[C@H](C)C2)cc1Cl 161570785 CCJHNNJFXRNTIV-NEPJUHHUSA-N 337.851 3.600 0 50 EHAA CCCCOc1ccc2cc(S(=O)(=O)NCC(C)C)ccc2c1 230514344 HTKWYCIFWOTTHQ-UHFFFAOYSA-N 335.469 3.953 0 50 EHAA O=C(CCC1CCNCC1)Nc1cccc(N2CCCCCC2)c1 237973548 XEIQAKMJYZQYML-UHFFFAOYSA-N 329.488 3.785 0 50 EHAA Cc1ccc2nc([C@H](Nc3ncc(F)c(N(C)C)n3)C(C)C)[nH]c2c1 95358729 BLOYSPCKSFDFEB-OAHLLOKOSA-N 342.422 3.676 0 50 EHAA Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)NC(C)C)cc1 91725764 LCISZBGTXOHQKU-KRWDZBQOSA-N 340.471 3.902 0 50 EHAA C[C@@H](NC(=O)Nc1ccc(CN2CCOCC2)cc1)C1=CCCCC1 96137646 HCMSCURGZCRWNU-MRXNPFEDSA-N 343.471 3.529 0 50 EHAA Cc1ccsc1C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1 244866358 VUQVGIUSGYWPCK-QGZVFWFLSA-N 328.481 3.699 0 50 EHAA Cc1cccc(Oc2ccc(C(=O)N[C@@H](C)c3n[nH]c(C)n3)cc2)c1 670468338 ZAAMEGJMBJBNOG-ZDUSSCGKSA-N 336.395 3.705 0 50 EHAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)CN3C(=O)CC(C)(C)C)cc1 1565530403 VECSXBYDHNZOKW-MSOLQXFVSA-N 344.499 3.554 0 50 EHAA CCOc1ncc(C(=O)N2CC[C@H](C)c3cccc(O)c32)cc1Cl 186319938 PJIHKGPZPNRFGQ-NSHDSACASA-N 346.814 3.993 0 50 EHAA COC(=O)c1cccc(CN(C[C@H]2CCOC2)c2ccccc2)c1 170621109 IILWZVHSLODUPF-QGZVFWFLSA-N 325.408 3.516 0 50 EHAA O=C(Nc1nc(Cc2ccccc2)cs1)C1CCN(C2CC2)CC1 192823496 FEHMGQBNCLNNSA-UHFFFAOYSA-N 341.480 3.547 0 50 EHAA Nc1nc(CCCNCc2ccc(OC3CCCC3)cc2)cs1 1506411132 ZKJWLZWCZPVETR-UHFFFAOYSA-N 331.485 3.769 0 50 EHAA COc1ccccc1CCN1CCC[C@H](CN(C)CC=C(C)C)C1 12467886 JZJTXJIGQBEGOY-LJQANCHMSA-N 330.516 3.848 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3C)C2)s1 12470153 PVZOYGWMHKPFSI-FQEVSTJZSA-N 343.492 3.822 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 13323915 KDJUNNJHERHCFP-UHFFFAOYSA-N 346.452 3.780 0 50 EHAA C[C@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C[C@@H]1CC(=O)O 1857533369 HFFWJAMPSSDHSC-VKOGCVSHSA-N 337.419 3.513 0 50 EHAA C[C@@H](c1ccc2c(c1)OCCO2)n1ccnc1-c1cccc2ccnn12 1857711041 YEUGENVHHKBZER-AWEZNQCLSA-N 346.390 3.578 0 50 EHAA C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 13153376 QFVBCVIDAINDJL-OCCQLPPTSA-N 345.414 3.615 0 50 EHAA Cc1sc2ncnc(NCC3(O)CCC(F)(F)CC3)c2c1C 663234525 SQZTYRXCXGMRHO-UHFFFAOYSA-N 327.400 3.660 0 50 EHAA CNC(=O)c1cccc(NC(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C)c1 1875288455 DZPZLBVZLGJKNN-YOEHRIQHSA-N 343.471 3.869 0 50 EHAA Cc1cc(Oc2ccncc2)ccc1NC(=O)N[C@@H](C)[C@H]1CCOC1 1875296762 NQLQSDXUJXRPAZ-GJZGRUSLSA-N 341.411 3.729 0 50 EHAA CC1(C)CCCN(c2ccnc(N[C@@H]3CC[C@H]4[C@H](C3)C4(F)F)n2)C1 1875329866 HFQCAOIHIZWQAG-RDBSUJKOSA-N 336.430 3.949 0 50 EHAA Cc1cc(C)cc(NS(=O)(=O)c2cc(-c3ccccc3)no2)c1 1875359647 LPHXOSPFYFLOHC-UHFFFAOYSA-N 328.393 3.759 0 50 EHAA CCc1ccc(-c2cc(NS(=O)(=O)Cc3ccccc3)on2)cc1 1776006034 LOCKHUNCILHUGU-UHFFFAOYSA-N 342.420 3.846 0 50 EHAA COc1cc([C@H]2CC(=O)Nc3cc(C)c(C)cc32)cc(OC)c1OC 129822 YIHYGGVQWKBRDO-CQSZACIVSA-N 341.407 3.803 0 50 EHAA CC[C@]1(c2ccccc2)NC(=S)N(c2cc(Cl)ccc2OC)N1 1428662 UHPQEBOHCGRSEA-KRWDZBQOSA-N 347.871 3.811 0 50 EHAA O=C(O)C[C@H](NC(=O)CSc1ccccc1)c1ccc(Cl)cc1 4653312 BQQIBIFZONRWLM-HNNXBMFYSA-N 349.839 3.764 0 50 EHAA CC[C@]12C=C(C(=O)OC)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 32275064 OZDNDGXASTWERN-TZIWHRDSSA-N 336.435 3.758 0 50 EHAA biogenic CC(C)(C)c1cnc(CNC[C@@H](O)c2cc3ccccc3s2)[nH]1 2325773975 LHPPFEVCOJSOAF-CYBMUJFWSA-N 329.469 3.745 0 50 EHAA O=C1COc2c(cc(-c3ccc4nc[nH]c4c3)cc2C(F)(F)F)N1 2325820498 HZUWHPPBPWTTFJ-UHFFFAOYSA-N 333.269 3.580 0 50 EHAA Cc1ccc2[nH]c(C(=O)NCc3ccc4c(c3)CNC4)c(Cl)c2c1 2325856452 QBGHZLZCGYQYHQ-UHFFFAOYSA-N 339.826 3.663 0 50 EHAA COc1ccc(Nc2cc(C)nc3ncnn23)cc1-c1ccccc1 2325871943 AMQDESVLCMUGAL-UHFFFAOYSA-N 331.379 3.852 0 50 EHAA CCC1(CC)CNC(=O)[C@H]1NCc1ccc([C@@H](C)C(F)(F)F)cc1 1460823857 DPFXSSNGHDODBO-IUODEOHRSA-N 342.405 3.747 0 50 EHAA Cc1ccc(C)c(OCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1 148536 FRQHAUHZTQCSHS-UHFFFAOYSA-N 338.359 3.703 0 50 EHAA O=C(Nc1ccc(Br)cc1)c1cc(=O)c2ccccc2o1 189208 SVBMFFOUVHQTLW-UHFFFAOYSA-N 344.164 3.808 0 50 EHAA CCOC(=O)c1sc2ncnc(N(C)Cc3ccccc3)c2c1C 215355 VNSYJQQTHPYGBP-UHFFFAOYSA-N 341.436 3.813 0 50 EHAA COc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCC4 283474 RQDOHQCTPWTHSQ-UHFFFAOYSA-N 336.420 3.893 0 50 EHAA CC1(C)CC(=O)c2cnc(NC(=O)c3cccc(Cl)c3)nc2C1 542147 WQWNKJRKOZGYIF-UHFFFAOYSA-N 329.787 3.537 0 50 EHAA Cc1cc(Cl)ccc1C(=O)NC(=S)Nc1ccc(Cl)cn1 547169 IRBAXLSQTUHEHM-UHFFFAOYSA-N 340.235 3.824 0 50 EHAA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@H]1c1ccccc1 439590 SVDRBGCCJFYNLG-GHTZIAJQSA-N 334.419 3.955 0 50 EHAA CCCCOc1ccc(NC(=O)CSc2nnc(C)s2)cc1 2223631 GQARYORNMPLKPJ-UHFFFAOYSA-N 337.470 3.756 0 50 EHAA O=C(NC[C@@H]1CCCCN1)OCC1c2ccccc2-c2ccccc21 2585705 FJMWJNIFDZWLIV-HNNXBMFYSA-N 336.435 3.667 0 50 EHAA CCN(CC)CCCC(=O)C(O)(c1ccccc1)c1ccccc1 4270091 BWQHLNICNIFWMJ-UHFFFAOYSA-N 325.452 3.614 0 50 EHAA O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(F)cc1 6238635 WKGQPAADVDJQOU-UHFFFAOYSA-N 342.395 3.612 0 50 EHAA FC(F)(F)c1nc2ccccc2n1Cc1nc(-c2ccoc2)no1 225550525 ULNCHQOTLXBAGD-UHFFFAOYSA-N 334.257 3.746 0 50 EHAA CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(N)=O 9867040 LAKCGLYEUMUMMG-KBPBESRZSA-N 340.423 3.705 0 50 EHAA CN(C)CCN(Cc1ccsc1)C(=O)c1cc2cc(F)ccc2[nH]1 55120172 WTWOBQBMFGCBEW-UHFFFAOYSA-N 345.443 3.573 0 50 EHAA 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CCOc1ccccc1OCCCOc1ccc(C(=O)OC)cc1 2986978 SDNUZWCUDHDSFV-UHFFFAOYSA-N 330.380 3.720 0 50 EHAA CCOc1cc(C=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 4526037 OITIIZACYUXYBV-UHFFFAOYSA-N 334.755 3.828 0 50 EHAA O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(F)c1 6697602 XFCPVVYLUSNYJJ-UHFFFAOYSA-N 347.349 3.959 0 50 EHAA COc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccc(C)cc1 6747466 GAASQDHCSIZDDV-CQSZACIVSA-N 349.858 3.706 0 50 EHAA CCOC(=O)c1ccc(Nc2nc3ccccc3n3c(C)nnc23)cc1 6781779 NHHHXCVFJVQUCI-UHFFFAOYSA-N 347.378 3.506 0 50 EHAA Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)Cc2nc3ccccc3[nH]2)c1 55306931 LMOROHCRPXTHPH-HNNXBMFYSA-N 337.423 3.606 0 50 EHAA CCc1cnc(CNC(=O)Nc2cc(C)ccc2Br)o1 225611652 ZGHYUBHUYRPWTQ-UHFFFAOYSA-N 338.205 3.630 0 50 EHAA Cc1ccc(NC(=O)C2CCCCC2)c(NC(=O)c2cc(C)n[nH]2)c1 55270823 SHYRRRFIRWZPBI-UHFFFAOYSA-N 340.427 3.798 0 50 EHAA Cc1ccc2oc(C(=O)NCc3cc(-c4cccnc4)no3)cc2c1 65458977 SLPZDZZQIDMNAO-UHFFFAOYSA-N 333.347 3.721 0 50 EHAA CCCCc1nnc(NC(=O)N2CCc3c(C)cccc3C2)s1 171505124 VLAYTDSUYDQCQX-UHFFFAOYSA-N 330.457 3.779 0 50 EHAA Cc1cc2c(c(S)n1)C(=O)O/C2=C\c1c[nH]nc1-c1cccs1 18045782 IRZFJJIHZYVHRJ-WDZFZDKYSA-N 341.417 3.799 0 50 EHAA CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12 249697073 UDLCVVUVZHRAIT-WOJBJXKFSA-N 339.483 3.576 0 50 EHAA CCOc1ccc([C@@H]2[C@@H](C(=O)O)CCC(=O)N2C2CCCCC2)cc1 1394557 IGAXLNWFPCVKLI-PKOBYXMFSA-N 345.439 3.782 0 50 EHAA CCN(C(=O)c1cc(F)c(F)cc1Br)c1ccncc1 120727025 GZYZHEWMDARAIG-UHFFFAOYSA-N 341.155 3.789 0 50 EHAA CC(C)c1noc(-c2ccc(N3CCC[C@@H]3c3ccccn3)nc2)n1 39455141 CYJFABFKSRRMHC-MRXNPFEDSA-N 335.411 3.992 0 50 EHAA Cc1nnc(-c2ccc(NC(=O)Nc3c(C)noc3C3CC3)cc2)o1 122137416 VVXNTSKGVNHGSQ-UHFFFAOYSA-N 339.355 3.863 0 50 EHAA CC(C)c1csc([C@H]2CCCN(C(=O)C(C)(C)c3cnc[nH]3)C2)n1 328594353 FHUBNNQEADSUER-ZDUSSCGKSA-N 346.500 3.673 0 50 EHAA COc1cccc(CN2CCC[C@H](Nc3cnc4ccccc4n3)C2)c1 72406936 CUXLDQFPCQLEGB-KRWDZBQOSA-N 348.450 3.715 0 50 EHAA Fc1ccc([C@H](N[C@@H]2CCOc3ccccc32)c2cnccn2)cc1 253431961 YZAVOAXGJWWUBA-XLIONFOSSA-N 335.382 3.819 0 50 EHAA CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2C=CCCC2)n1 158615474 NQMSITXDKFSFDF-ZDUSSCGKSA-N 325.412 3.873 0 50 EHAA Cc1nccn1CC[C@@H]1CCCCN1Cc1cc(C(C)(C)C)[nH]n1 77357599 BXAQUBPULRURCR-KRWDZBQOSA-N 329.492 3.657 0 50 EHAA C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCC[C@H]1c1ccncc1 240465955 GBROXYMECCEKEI-NJAFHUGGSA-N 331.460 3.523 0 50 EHAA COC[C@H]1CCCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 457054611 YVZULFPKNOLSEG-ZDUSSCGKSA-N 334.847 3.720 0 50 EHAA O=C(O)c1ccccc1[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 72174286 ISJCMXZGZZPRHB-LLVKDONJSA-N 347.773 3.807 0 50 EHAA CC(C)n1nccc1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 289848056 QGVNMPZHCNPPIF-ZDUSSCGKSA-N 332.835 3.582 0 50 EHAA O=C(c1ncc(F)cc1F)N1CCCC[C@@H]1CCc1ccccc1 92036723 WVQIEEPHQWFAID-MRXNPFEDSA-N 330.378 3.987 0 50 EHAA Cc1ncc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)s1 92045725 DLWGJBLUAINURE-OAHLLOKOSA-N 330.453 3.785 0 50 EHAA O[C@H]1CC[C@H](Nc2nc(C(F)(F)F)nc3ccc(F)cc23)CC1 238899361 FYMQWQNCDMUPLQ-MGCOHNPYSA-N 329.297 3.503 0 50 EHAA Cn1nccc1C(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 95524924 NOSQMZFOLOTKTR-UHFFFAOYSA-N 345.446 3.642 0 50 EHAA Cc1occc1-c1nnc(NCc2cc(Cl)c3c(c2)OCCO3)o1 182196649 WQHIIUWGBZOULH-UHFFFAOYSA-N 347.758 3.675 0 50 EHAA CN(CCC(=O)Nc1cccc2ccccc12)C[C@H]1CCCCN1C 244601920 DUKQKRKACBMTAN-GOSISDBHSA-N 339.483 3.585 0 50 EHAA COc1ccccc1[C@@H](NC(=O)Nc1ccncc1F)c1ccco1 184178688 XXPSHMLSSXYOOE-QGZVFWFLSA-N 341.342 3.733 0 50 EHAA CCCCN(Cc1ccccc1OC)C(=O)NCc1ccnc(C)c1 534659166 WLVOWOVEGZEQGR-UHFFFAOYSA-N 341.455 3.911 0 50 EHAA CCCn1c(C)nc2cc(NC(=O)c3cc(CC(C)C)[nH]n3)ccc21 952984906 YJWZHMTWWVJOFZ-UHFFFAOYSA-N 339.443 3.929 0 50 EHAA Cn1cnc(CCN[C@@H]2CCCc3c2[nH]c2c(Cl)cccc32)c1 886624040 WGNBVRIEDCQYNG-MRXNPFEDSA-N 328.847 3.765 0 50 EHAA C[C@@H](CC(=O)N1CC(OC(F)F)C1)c1ccc(C(F)(F)F)cc1 170602445 JGBPBZHYZNSVAI-VIFPVBQESA-N 337.288 3.649 0 50 EHAA O[C@@H](CNc1nc(C2CC2)ns1)c1cccc(C(F)(F)F)c1 170022206 JBGSJCZMGMQLMQ-NSHDSACASA-N 329.347 3.580 0 50 EHAA COc1cccc(N[C@H](CNC(=O)c2csnc2C)C(C)(C)C)c1 170599099 JUZIDAYCRQIXPY-MRXNPFEDSA-N 347.484 3.717 0 50 EHAA COc1cc(C)ccc1N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 170592572 KRADWAFIJBNHQF-CYBMUJFWSA-N 334.441 3.548 0 50 EHAA COc1ccc([C@@H]2CCN(C(=O)Nc3ccnn3C(C)(C)C)C2)cc1 190440968 BQLXMFXRYKZKJC-OAHLLOKOSA-N 342.443 3.668 0 50 EHAA COc1ccc(CNCc2cc(Cl)cs2)c(OC)c1OC 193012000 HYXAFKZHRHJHNM-UHFFFAOYSA-N 327.833 3.717 0 50 EHAA CC(C)(C)c1cnc(CCC(=O)N2CCS[C@H]3CCCC[C@H]32)o1 193747957 KCCPGGCFMHYVRT-KGLIPLIRSA-N 336.501 3.791 0 50 EHAA CSc1ccc(CN(CCO)C(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 208333954 KVDREMDXRNOIGB-MOPGFXCFSA-N 341.476 3.533 0 50 EHAA O=C(CCc1cccc(Cl)c1)N1CCC(c2ccnc(O)c2)CC1 1772818874 MNZOMVBSQAZXPB-UHFFFAOYSA-N 344.842 3.779 0 50 EHAA CC[C@@H](Cc1ccco1)N1CCCN(C(=O)c2cccs2)CC1 1772817942 JWKNUXWJNYVPKN-HNNXBMFYSA-N 332.469 3.510 0 50 EHAA COc1ccccc1[C@H](C)N(C)c1nncc(-c2ccccc2F)n1 12303788 KHWAQSOSNBPHED-ZDUSSCGKSA-N 338.386 3.884 0 50 EHAA COc1cc(N[C@H](C)CCc2ccc(O)cc2)cc(OC)c1OC 12383415 XIJFWHPCETZRBS-CYBMUJFWSA-N 331.412 3.851 0 50 EHAA CCOc1ccc(C(=O)/N=c2\[nH]c3ccc(OCC)cc3s2)cc1 13569676 OBTZRESVWRNIBS-UHFFFAOYSA-N 342.420 3.768 0 50 EHAA O=C(CC[C@@H]1CCCCO1)N1CCCc2cc(OC(F)F)ccc21 110244477 LAHWGFPWHFNABD-AWEZNQCLSA-N 339.382 3.917 0 50 EHAA Cc1csc(C(=O)N2CCCCC[C@H]2c2ncon2)c1Cl 253430419 KYRAVHQUVNXVEG-JTQLQIEISA-N 325.821 3.850 0 50 EHAA Cc1ccc2oc(N3CCC[C@@H](c4nnc5ccccn45)C3)nc2c1 265098524 CXMKAJNUKFRCFD-CQSZACIVSA-N 333.395 3.563 0 50 EHAA CC(C)(C)Cc1ncc(-c2nc(-c3cccc(C(N)=O)c3)no2)s1 903985423 IBKUPHMMKPFIHA-UHFFFAOYSA-N 342.424 3.548 0 50 EHAA CC(C)[C@H]1CN(C)CCN1Cc1cn(C)nc1-c1cccc(Cl)c1 20911411 DATKXJJKVWMEFE-GOSISDBHSA-N 346.906 3.513 0 50 EHAA Cc1ccc([C@H](CN(C)C)NC(=O)c2cc3ncccc3s2)cc1 2325855955 WNLHLRMHCCFJJS-INIZCTEOSA-N 339.464 3.637 0 50 EHAA C[C@H]1CC[C@@H]2CN=C(N[C@H](C)c3ccc(Br)cc3)N2C1 2325863214 AFHNGAKCZKEJJE-YWPYICTPSA-N 336.277 3.570 0 50 EHAA NS(=O)(=O)c1ccc(Cl)c(-c2cccc3c(O)cccc23)c1 2325870326 SSNBCXKDACICSO-UHFFFAOYSA-N 333.796 3.513 0 50 EHAA Brc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)cc1 68103 NNUHJSKNUJLSPW-UHFFFAOYSA-N 345.152 3.895 0 50 EHAA O[C@H](COCc1ccccc1)CN1CCC(Cc2ccccc2)CC1 273426 OGNPTZCLZHLBHT-QFIPXVFZSA-N 339.479 3.519 0 50 EHAA Cc1ccccc1C(=O)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F 274633 FZMCVHAGTHYPBR-XJKSGUPXSA-N 340.345 3.638 0 50 EHAA CCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc3ccccc3c1)C(=O)N2 350884 NWZAWMREUGDQCO-QFIPXVFZSA-N 345.398 3.815 0 50 EHAA Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1C 3908222 XFWUERUECPNSOB-UHFFFAOYSA-N 336.347 3.939 0 50 EHAA CCOc1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCO2)cc1 10156060 GDAAOKSHWJQJKV-QGZVFWFLSA-N 341.407 3.895 0 50 EHAA CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(OC)c(OC)c1 8477860 VFISPXZCTSBWRQ-AWEZNQCLSA-N 333.359 3.639 0 50 EHAA Cc1nc(CCNC(=O)c2ccc([C@H]3CCCO3)s2)sc1C 67696217 JLCILCRGAVRJDR-GFCCVEGCSA-N 336.482 3.645 0 50 EHAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cnc2n1CCCC2 67723264 OBYKEEUVLPTXBT-GFCCVEGCSA-N 333.819 3.587 0 50 EHAA C[C@@H](C(=O)N1Cc2ccccc2OC(C)(C)C1)n1cnc2ccccc21 356615076 ZKKMMNJOBHCFBI-HNNXBMFYSA-N 349.434 3.797 0 50 EHAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H]1CSCCS1 153082764 JZIMWBBJQIYSLJ-VXGBXAGGSA-N 344.571 3.943 0 50 EHAA CC1(C)CN(C(=O)NCCc2ccccc2)CC[C@H]1C(F)(F)F 252482767 DNHZOKKMDNIJLX-CQSZACIVSA-N 328.378 3.849 0 50 EHAA CC(C)c1nc(C(=O)N2CC[C@H](COCc3ccccc3)C2)cs1 172802757 ZUWYVMQDQFHFNK-INIZCTEOSA-N 344.480 3.945 0 50 EHAA Cc1ccc(C(=O)CCC(=O)N2CCc3c(F)cc(F)cc3C2)cc1 123506213 GQWKOSANKFKNSA-UHFFFAOYSA-N 343.373 3.821 0 50 EHAA O=C(CC(F)(F)F)Nc1cccc(C[S@](=O)c2ccccc2)c1 359992050 KCIBQLQLPGPKEL-QHCPKHFHSA-N 341.354 3.885 0 50 EHAA Cc1nc(C(F)(F)F)sc1C(=O)N(C)[C@H](C)c1cccnc1 360032441 JJAUWIRHCSTNGF-SECBINFHSA-N 329.347 3.699 0 50 EHAA CC(=O)Nc1cccc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)c1 155480802 NOQSQPVNWDPWRF-OAHLLOKOSA-N 334.423 3.682 0 50 EHAA O=C(c1ccc(F)cc1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 261781547 TYLFICYPGVYCHE-QGZVFWFLSA-N 344.455 3.672 0 50 EHAA CC(C)CCC[C@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)CCO1 71774933 QMYGHLLXWJBLNR-INIZCTEOSA-N 341.455 3.744 0 50 EHAA CN(C(=O)c1ccc(Br)c(Cl)c1)c1cccnc1 130509905 NDHZEIAJTKLYMI-UHFFFAOYSA-N 325.593 3.774 0 50 EHAA O=C(N[C@@H](c1ccccc1)C1CCC1)N1CCC(c2ccn[nH]2)CC1 159055499 BQUGPCWRPKTUKX-IBGZPJMESA-N 338.455 3.840 0 50 EHAA Cc1ccc2c(c1)c(CNC(=O)CCc1c[nH]c3ccccc13)nn2C 219903167 ZJDRQWGZPZVKSE-UHFFFAOYSA-N 346.434 3.612 0 50 EHAA CSc1ccccc1C(=O)N(CC(=O)N1CCCCCC1)C(C)C 240444230 FWTUPWLOSHKQAA-UHFFFAOYSA-N 348.512 3.662 0 50 EHAA CCCCn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 40396538 QWWKMVALXCJNLL-UHFFFAOYSA-N 336.370 3.650 0 50 EHAA CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1ccc2ncsc2c1 96164492 RPRWCWFCHZAJPC-OAHLLOKOSA-N 343.456 3.729 0 50 EHAA O=C(NCc1ccccc1-c1ccc(Cl)cc1)N1CC[C@@H](CO)C1 265783141 HKEKSJCDDFATBA-CQSZACIVSA-N 344.842 3.531 0 50 EHAA O=C1OCc2ccc(NC(=O)N3CCCC[C@H]3c3cccnc3)cc21 96151179 CCBAWMMSTIZHPV-KRWDZBQOSA-N 337.379 3.511 0 50 EHAA CC(C)Oc1ccc(NC(=O)NCC2CCOCC2)cc1Cl 96152073 QCLVZXMJISEUAV-UHFFFAOYSA-N 326.824 3.675 0 50 EHAA Cc1nn(C)c2nc(N3CCC[C@@H](OCc4ccccc4)C3)sc12 95502048 UFYFMASXMBNZBW-OAHLLOKOSA-N 342.468 3.524 0 50 EHAA CCCN(Cc1ccccc1C)C(=O)NCc1ccc(CO)cc1 534642149 SDLRBGPEMQSEAQ-UHFFFAOYSA-N 326.440 3.609 0 50 EHAA O=C(C[C@H]1CCCOC1)N1CCC(Oc2ccc(Cl)cc2)CC1 299768200 HVZFDPMZXZKSMV-CQSZACIVSA-N 337.847 3.527 0 50 EHAA C[C@H](O)c1nc2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2[nH]1 952974245 IANDUXPRZGLYSD-NSHDSACASA-N 348.362 3.524 0 50 EHAA CCn1c([C@@H](C)Nc2ncncc2Br)nc2ccccc21 274583671 AVPDVXNVDKVTAV-SNVBAGLBSA-N 346.232 3.782 0 50 EHAA Fc1ccc2oc(N3CCC[C@@H]3c3nc4c([nH]3)CCCC4)nc2c1 275412158 BQXLXPCWZHQYLZ-OAHLLOKOSA-N 326.375 3.910 0 50 EHAA Cc1ncsc1CN(C)C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 170997237 UOEBMLNFOKPTQK-WBVHZDCISA-N 345.468 3.513 0 50 EHAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ccc(C(=O)O)o1 191648023 BVHRSRLTBDZBSC-SNVBAGLBSA-N 336.413 3.699 0 50 EHAA COCC[C@H]1CCCCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 652444217 AWZZWYRWUGTJFL-CQSZACIVSA-N 331.412 3.770 0 50 EHAA O[C@H](c1cccs1)C1CCN(c2cnc3ccccc3n2)CC1 1506419174 ZODJLSZESMHMFH-SFHVURJKSA-N 325.437 3.641 0 50 EHAA COCCN1CC[C@@H](CNCc2ccc(-c3ccccc3Cl)o2)C1 1506428891 UERROCLMPCTSJM-HNNXBMFYSA-N 348.874 3.658 0 50 EHAA COC(=O)c1c(NC(=O)/C=C/c2ccc(C)o2)sc2c1CCC2 474484 FHQKVLCKBGLOHW-CMDGGOBGSA-N 331.393 3.577 0 50 EHAA C[C@@H](CNC(=O)Nc1cccc(N)c1)OC12CC3CC(CC(C3)C1)C2 12401795 UJIYERMAUOUGJG-IVKJLDKCSA-N 343.471 3.764 0 50 EHAA CCCCc1nc2cc(C(=O)N(CC)C[C@@H]3CCCO3)ccc2o1 12593444 DHXZYMXJKUNVPH-HNNXBMFYSA-N 330.428 3.812 0 50 EHAA CC(C)N(C)Cc1ccccc1OC[C@H](O)CN(C)C1CCCCC1 12596521 NLRXZMSCXFWLOU-HXUWFJFHSA-N 348.531 3.531 0 50 EHAA CCCCC[C@H](O)CC[C@H]1CCC(=O)N1CCCCCCC(=O)O 13488374 CBWGHEDGUILASE-IRXDYDNUSA-N 341.492 3.734 0 50 EHAA in-vitro CC(C)n1cnc(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)c1 252497743 QOWMTGRGCQHCKB-AWEZNQCLSA-N 347.846 3.801 0 50 EHAA Cc1cccnc1-c1noc([C@@H]2Cc3ccccc3O[C@H]2C(F)F)n1 903979277 ANFLFVWMVUFWGB-IUODEOHRSA-N 343.333 3.792 0 50 EHAA Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(Cc2ccccc2)[nH]1 935792931 ALGJGIAYVNHUGP-HXUWFJFHSA-N 348.450 3.706 0 50 EHAA Cn1c(N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)nc2cnccc21 1875331551 MTWFAZURBNSDBP-CYBMUJFWSA-N 346.356 3.981 0 50 EHAA CCN(CC)CCOc1ccc(CN[C@@H](C)c2conc2C)cc1 888098460 JILRFNSXOZECAR-HNNXBMFYSA-N 331.460 3.554 0 50 EHAA O=C(c1ccccc1)c1ccccc1C(=O)N1[C@H]2CC[C@H]1CC1(C2)N=N1 1775999077 NLHHGBSHAGPSKQ-HOTGVXAUSA-N 345.402 3.847 0 50 EHAA CC(C)(C)OC(=O)N1Cc2ccc(CN[C@H]3CCCOCC3)cc2C1 310822961 HADSDHFREMIKGN-SFHVURJKSA-N 346.471 3.596 0 50 EHAA C[C@H](NCC(=O)N(C)Cc1ccco1)c1csc2ccccc12 839551408 CYOYDHWKNBHHQL-ZDUSSCGKSA-N 328.437 3.804 0 50 EHAA O=C1CC(c2ccccc2)CC(=O)N1Cc1ccc(C(F)(F)F)nc1 2325772340 BWGXEDGLBVIGHZ-UHFFFAOYSA-N 348.324 3.533 0 50 EHAA c1cc(-c2ccc(CCN3CCCCC3)cc2)cc(-n2cncn2)c1 2325859987 SQLDTTBINLZRGR-UHFFFAOYSA-N 332.451 3.963 0 50 EHAA C[C@@H](O)CC(=O)Nc1ccc(Oc2ccc(F)cc2)c2ccncc12 2325874975 CMJMCYDKBXLRBZ-GFCCVEGCSA-N 340.354 3.876 0 50 EHAA Cc1cc(C)c(C(=O)CSc2nc3n(n2)CCCCC3)c(C)c1 390132 CQGXTIVBTHYLOO-UHFFFAOYSA-N 329.469 3.905 0 50 EHAA CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 453799 LKGWOFYYGGLTNL-UHFFFAOYSA-N 340.423 3.866 0 50 EHAA COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 42341 RHNQXTXPKJBXCB-UHFFFAOYSA-N 325.286 3.975 0 50 EHAA biogenic,in-vitro CC(=O)c1cnc2nc(SCc3ccccc3Cl)nn2c1C 2206123 OVCGFUVNXVHEMU-UHFFFAOYSA-N 332.816 3.581 0 50 EHAA CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O 2384238 HFPNKXXPYGPHJQ-UHFFFAOYSA-N 339.391 3.731 0 50 EHAA Cc1ccc(C(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)cc1 2586235 UGMPVDQBKKOHEI-UHFFFAOYSA-N 336.416 3.937 0 50 EHAA O=S(=O)(NCCSC1CCCCC1)c1ccc(Cl)cc1 2813452 GVLVMXPNXBWTLZ-UHFFFAOYSA-N 333.906 3.684 0 50 EHAA C[C@H](c1ccc(-c2ccc(-c3n[nH]c(=N)[nH]3)o2)cc1)N1CCCCC1 2356170769 FFEIIQZJBPYORA-CYBMUJFWSA-N 337.427 3.691 0 50 EHAA O=C(NCc1nc(-c2ccccc2)no1)C12CC3CC(CC(C3)C1)C2 4512665 DUZDRQCJDKYLQU-UHFFFAOYSA-N 337.423 3.569 0 50 EHAA Cc1cc(CNC(=O)COc2ccc(C)c(C)c2)c2ccccc2n1 4623125 JJMLFXLUNORBFY-UHFFFAOYSA-N 334.419 3.855 0 50 EHAA O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc(Br)o1 4842517 VMFMRNJFFCQIOQ-UHFFFAOYSA-N 344.548 3.646 0 50 EHAA Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 6715701 RNBFHAVKTIPFJU-UHFFFAOYSA-N 327.403 3.797 0 50 EHAA CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc(C(C)=O)c1C 102607565 JXGYABLSUPRAQA-RWMBFGLXSA-N 349.452 3.811 0 50 EHAA Cc1ccc2[nH]c(=O)c(CN(C)[C@@H](c3ccccn3)C3CC3)cc2c1 67834328 ZBGJALMCZSWOCY-HXUWFJFHSA-N 333.435 3.815 0 50 EHAA O=C(Nc1cccc(OCCF)c1)N1CCC[C@H]1c1ccncc1 123244600 QHZDKWSMKTYNSY-KRWDZBQOSA-N 329.375 3.799 0 50 EHAA CCS[C@H]1CCCCN(C(=O)Nc2ccc(N3CCC3=O)cc2)C1 281340140 MIQXHDKQWHEEEW-INIZCTEOSA-N 347.484 3.563 0 50 EHAA Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC2CCOCC2)c1 12702503 QQLIGIIHYNBUBR-IBGZPJMESA-N 325.456 3.635 0 50 EHAA CCc1ncsc1C(=O)N(C)C[C@H]1CCCc2sc(C)nc21 328614222 ABAHEQCKFKIQIR-LLVKDONJSA-N 335.498 3.663 0 50 EHAA C[C@H](N[C@H]1CCc2ccccc2OC1)c1nc(Cc2ccccc2)no1 367163149 AUWTXCDDKKKODK-YJBOKZPZSA-N 349.434 3.705 0 50 EHAA CC(C)(C)OC(=O)NC[C@H](Cc1cccc2ccccc12)C(=O)O 39959769 WXQGOWCFXXGOLZ-HNNXBMFYSA-N 329.396 3.608 0 50 EHAA O=C(c1ccccn1)[C@H]1CCCN(Cc2cc(-c3ccccc3)no2)C1 215520537 BPYMVNZJYHBLIM-KRWDZBQOSA-N 347.418 3.832 0 50 EHAA CCn1c(CCNc2cc(C(C)C)nc3ccnn23)nc2ccccc21 72148881 NVEYVSIEGBGHNZ-UHFFFAOYSA-N 348.454 3.877 0 50 EHAA CC[C@H](SC)C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 129981683 QKDUICNRJAQCDG-HNNXBMFYSA-N 347.415 3.553 0 50 EHAA COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)Cc1cc(C)on1 286945188 MFUILALLKBWDFT-GUYCJALGSA-N 328.412 3.534 0 50 EHAA C[C@@H](O)c1ccc(-c2cccc(C(=O)N3CCOC(C)(C)C3)c2)cc1 426574953 DCFCAPZNSKHPJO-OAHLLOKOSA-N 339.435 3.658 0 50 EHAA Cc1ccccc1N1CCCN(C(=O)c2ccnc3ccccc23)CC1 82086633 WYQMXEJBUHRZTE-UHFFFAOYSA-N 345.446 3.896 0 50 EHAA OC[C@H](Cc1cccs1)Cn1ccnc1-c1cc(F)ccc1F 82121718 AVRHBZXBALHYHN-GFCCVEGCSA-N 334.391 3.741 0 50 EHAA COCCC1(C)CN(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)C1 291065866 QDWCHYSSGDJROI-NSHDSACASA-N 328.815 3.608 0 50 EHAA CC(C)c1cccc(N2CC[C@]3(CCCN(C4CCCC4)C3=O)C2)n1 91468286 ZXHUCCIUQWGAIP-OAQYLSRUSA-N 341.499 3.967 0 50 EHAA CC[C@@H]1C=CCN1C(=O)Nc1ccc(C(=O)NC(C)C)c(Cl)c1 96150329 FYZAEYYYEMBVQJ-CYBMUJFWSA-N 335.835 3.661 0 50 EHAA Oc1ccc2c(c1)[C@@H](NCc1cccc3c1OCCCO3)CCC2 291296626 SCYVMFUTHJHRIM-SFHVURJKSA-N 325.408 3.721 0 50 EHAA OC1(c2cccc(C(F)(F)F)c2)CCN(c2ccncc2F)CC1 95375204 HNTGQKMYSIANAP-UHFFFAOYSA-N 340.320 3.728 0 50 EHAA Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@H]3CCCC(C)(C)C3)cc2)n1 179359730 MIXNNBXHRCDEAI-HNNXBMFYSA-N 339.439 3.900 0 50 EHAA CCc1ccnc(C(=O)N(C)[C@H]2CCCc3nc(CC)sc32)c1 180383126 HIASAJITYALPEF-HNNXBMFYSA-N 329.469 3.813 0 50 EHAA CC(C)Cn1ccc2c(OCC(=O)NCc3ccco3)cccc21 252497304 QDGLFFFJPIIDMJ-UHFFFAOYSA-N 326.396 3.586 0 50 EHAA Oc1ccc(-c2cn3c4ccccc4n(CCN4CCCC4)c3n2)cc1 253470638 SWCJQNPHNMDSAQ-UHFFFAOYSA-N 346.434 3.757 0 50 EHAA CCn1ccnc1CN1CCC[C@H](C(=O)c2ccc(Cl)cc2C)C1 43103018 HSZZKKSFONNSNH-HNNXBMFYSA-N 345.874 3.960 0 50 EHAA Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cccn2C2CC2)c1 952984629 QBIOTYPEBUETFK-IBGZPJMESA-N 338.451 3.953 0 50 EHAA CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(C(C)(C)C)s1 275707114 XXLLOLCPZKEQOH-HOCLYGCPSA-N 333.501 3.882 0 50 EHAA O=C(COc1ccc(F)cc1F)N1CCCC[C@H]1c1nccs1 169979015 MBROXMJIRLEOFA-ZDUSSCGKSA-N 338.379 3.554 0 50 EHAA CC[C@]1(CO)CCCN1C(=O)c1cc(-c2ccccn2)ccc1Cl 189231929 NOTHWQOQTVZLGK-LJQANCHMSA-N 344.842 3.779 0 50 EHAA COCc1cc(CN[C@H]2CCc3c(cccc3OC)C2)ccc1F 192442995 LCIWVQHTTBYDOC-KRWDZBQOSA-N 329.415 3.628 0 50 EHAA CC(C)Oc1cccc(C(=O)OC[C@H]2CCC3(CCCCC3)O2)n1 786304554 BDPOBEIDFSQZII-OAHLLOKOSA-N 333.428 3.908 0 50 EHAA CSc1cccc(CN(C(=O)c2ccc(CO)cc2)C(C)C)c1 1506403934 PROAUBFEGCHKJJ-UHFFFAOYSA-N 329.465 3.952 0 50 EHAA CN(Cc1ccc(CC(=O)O)cc1)Cc1cccc(C(F)(F)F)c1 1529117840 AQTKJSBCNMTNIX-UHFFFAOYSA-N 337.341 3.965 0 50 EHAA CCSCc1nnc2sc(COc3ccccc3Cl)nn12 1775972087 DRUWDPGKOFBYNT-UHFFFAOYSA-N 340.861 3.671 0 50 EHAA O=C(CCCc1cccs1)N1CCC(Cc2ccc(O)nc2)CC1 1772703451 DVWGBIVOZJCULN-UHFFFAOYSA-N 344.480 3.653 0 50 EHAA CCCCC(=O)N[C@H](SC1=NCCS1)C(Cl)(Cl)Cl 5458207 OCDBWPXTFUTCAM-MRVPVSSYSA-N 349.736 3.825 0 50 EHAA CC(C)c1ccc(N[C@@H]2CCCN(Cc3ccc(CO)o3)C2)cc1 11820766 DGCOJBBTBUFLSW-GOSISDBHSA-N 328.456 3.972 0 50 EHAA Cc1ccnc(N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)c1 11820851 CVKDNNHTFJLCJH-HXUWFJFHSA-N 336.483 3.524 0 50 EHAA O=c1c2ccccc2nc(/C=C/c2ccccn2)n1-c1ccccc1 4450427 ZFEZSJMAONMYBM-BUHFOSPRSA-N 325.371 3.951 0 50 EHAA COc1cccc(NC(=O)c2ccc(Nc3ncccn3)cc2)c1F 1857528501 WOMSDJYQECBNNE-UHFFFAOYSA-N 338.342 3.620 0 50 EHAA CCN1CCC[C@H]1Cn1ccnc1-c1cc2ccc(C)cc2nc1O 1857689501 FYVMLHWEEROMMD-INIZCTEOSA-N 336.439 3.597 0 50 EHAA Cc1cccc(NC(=O)C[C@@H]2Nc3cccc4cccc(c34)NC2=O)c1 82202 YWQBWYXHFQVQRQ-SFHVURJKSA-N 345.402 3.910 0 50 EHAA Cc1noc([C@@H](NCc2ccc(Cl)cc2C)C2CCOCC2)n1 341795130 FLUUCEMSVMMITA-INIZCTEOSA-N 335.835 3.597 0 50 EHAA Cc1sc2nc(C[C@H]3CCC4(CCOCC4)CO3)nc(O)c2c1C 952993755 LUXBTZWMIGFDKR-CYBMUJFWSA-N 348.468 3.532 0 50 EHAA Cc1cc(C)n2nc(SCc3ccc(Br)cc3)nc2n1 3467179 IMENXWDSGUALQL-UHFFFAOYSA-N 349.257 3.796 0 50 EHAA Cc1cccc2c1CCN2c1nnc(Cc2ccncc2)n1CC(C)C 2325853473 QLSGZTIOUUROLH-UHFFFAOYSA-N 347.466 3.923 0 50 EHAA Cn1nc(COc2ccc(NC(=O)OC(C)(C)C)cc2)cc1Cl 863457349 HSXBKFJNHOIVOP-UHFFFAOYSA-N 337.807 4.000 0 50 EHAA COc1ccc(CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 29281 BQGZNAXUHAXIEH-UHFFFAOYSA-N 335.787 3.547 0 50 EHAA CN(c1ccc(Cl)cc1)c1cn2c(nc(=O)n2C(C)(C)C)s1 405701 IYLRWGXICOQRDY-UHFFFAOYSA-N 336.848 3.734 0 50 EHAA CC(=O)c1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 446252 LLQBYPVLSSALLZ-UHFFFAOYSA-N 341.366 3.942 0 50 EHAA O=C(NC(=S)N1CCCc2ccccc21)c1ccc(Cl)cc1 2842079 NWEXIGUAYWAIQZ-UHFFFAOYSA-N 330.840 3.808 0 50 EHAA aggregator COc1ccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC 2843102 KDRGHIHCFVCQEZ-UHFFFAOYSA-N 339.313 3.904 0 50 EHAA O=C1NCCC[C@@]12CCCN2Cc1ccc(Oc2ccccc2)cc1 2356167813 DAYFXYUATAUXQD-OAQYLSRUSA-N 336.435 3.724 0 50 EHAA CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)O 4086347 JAQZXCDMRWQOGH-UHFFFAOYSA-N 338.359 3.876 0 50 EHAA CCOC(=O)[C@H](C)Oc1cc2oc(=O)c(CC)c(C)c2cc1CC 4131941 BMGLEOLMUCIHSN-LBPRGKRZSA-N 332.396 3.557 0 50 EHAA Cc1cc(C)nc(SCC(=O)Nc2nc(C(C)(C)C)cs2)n1 4834923 JGQYLBIQRXXBQC-UHFFFAOYSA-N 336.486 3.578 0 50 EHAA Cc1c(C)n(-c2ccccn2)c2ncn3nc(-c4ccccc4)nc3c12 6672743 LVGVYYBHSPTNHF-UHFFFAOYSA-N 340.390 3.747 0 50 EHAA Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)C[C@H]2C)cc1 6715659 XTNVNRYWYHLBHL-OAHLLOKOSA-N 327.403 3.877 0 50 EHAA CSc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1F 225416382 ISTJTOIHMXGHFO-UHFFFAOYSA-N 327.384 3.986 0 50 EHAA Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(-c4ncn[nH]4)c3)C2)cc1 225643472 OUEVHXYWEPVMQJ-HNAYVOBHSA-N 346.434 3.798 0 50 EHAA CC[C@@H](C)c1ccccc1OCC(=O)N1CC[C@@H](c2ccccn2)C1 225600365 JPTIJRHZSVJAGI-IAGOWNOFSA-N 338.451 3.990 0 50 EHAA Cc1nn(C)c(Cl)c1CN[C@H]1CCCN(CC2CCCCC2)C1 20994278 OTBUPNIAZRXRPY-INIZCTEOSA-N 338.927 3.516 0 50 EHAA CCc1noc([C@@H](C)N[C@H](C)Cc2cccc(C(F)(F)F)c2)n1 65430539 VRDNJKFUJRCKEC-GHMZBOCLSA-N 327.350 3.933 0 50 EHAA C[C@](O)(c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)n1cncn1 27428831 YULDTPKHZNKFEY-MSOLQXFVSA-N 327.815 3.623 0 50 EHAA in-vitro C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2nnc(S)o2)cc1 248433725 XRHQSRYYCWJTQD-BYCMXARLSA-N 343.452 3.819 0 50 EHAA CCCc1nc(C)cc(N2CCc3n[nH]c(Cc4ccccc4)c3C2)n1 23380067 WMCIZKNQGOACDV-UHFFFAOYSA-N 347.466 3.614 0 50 EHAA O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@H]1C[C@@H]1c1ccco1 230220243 YUDDPXQIYMTIKQ-UOVPBQLFSA-N 329.371 3.559 0 50 EHAA CN1CC[C@@H](NC(=O)CCC(F)(F)F)[C@H]1c1ccc(Cl)cc1 252477593 RAUVEWYUOSMNAN-TZMCWYRMSA-N 334.769 3.544 0 50 EHAA C[C@H](CC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1)[C@H]1CCCNC1 252536177 HTUGCFWMWWSOBB-TWKWOARYSA-N 332.463 3.604 0 50 EHAA C[C@@H]1Cc2cc(-c3c(-c4ccccc4)ncn3CCCO)ccc2O1 65382029 SSECPSDKZSSTFX-OAHLLOKOSA-N 334.419 3.923 0 50 EHAA O=C(N[C@@H]1CCOc2ccccc21)[C@H]1C[C@@H]1c1ccc(F)cc1F 171912952 OBGBBNLGFPJXBM-HLLBOEOZSA-N 329.346 3.708 0 50 EHAA CCn1cc([C@H]2OCCC[C@@H]2NCc2cnc(C(C)(C)C)s2)cn1 328626048 DTJRXYFUQPJQRG-JKSUJKDBSA-N 348.516 3.667 0 50 EHAA CCOC(=O)C[C@@H]1C(=O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 33732082 HRWUEUOAAKJSEV-LVCYWYKZSA-N 337.419 3.601 0 50 EHAA c1c2c(nn1C1CCCC1)[C@H](N=c1nc(C3CC3)[nH]s1)CCC2 329528964 UWVDBKWGXCNEHP-CQSZACIVSA-N 329.473 3.639 0 50 EHAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)cc1 77504807 ONEIDKCHLXJDQN-MRXNPFEDSA-N 328.412 3.531 0 50 EHAA C[C@H]1CN(Cc2nc(C3CCCC3)no2)C[C@H](c2ccsc2)O1 155578545 WIYCXBOUUWZQGX-SWLSCSKDSA-N 333.457 3.751 0 50 EHAA Cc1cc(C(=O)N2CCCc3occc3C2)nn1-c1ccc(F)cc1 367369253 AZVGTXZJVSMYSQ-UHFFFAOYSA-N 339.370 3.501 0 50 EHAA CCOc1ccccc1NC(=O)N1CCC[C@@H]1c1nc(C(C)C)no1 77300509 OGDLSLLXMYNCNA-CQSZACIVSA-N 344.415 3.961 0 50 EHAA Oc1nnc(-c2nc([C@@H]3CCCc4ccccc43)no2)c2ccccc12 341630751 UIDZVAFTZBZAHG-OAHLLOKOSA-N 344.374 3.854 0 50 EHAA C[C@H](C(=O)NCCc1nc2ccccc2[nH]1)c1ccc(Cl)s1 175087874 USZLVYFCUKEYQI-JTQLQIEISA-N 333.844 3.740 0 50 EHAA Cn1nc(C(F)F)cc1C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1 426533873 WJBXEMYOMUPJFN-CYBMUJFWSA-N 333.382 3.624 0 50 EHAA CC(C)NC(=O)c1ccnc(N2C[C@@H](c3ccccc3)C(C)(C)C2)c1 426514635 JOSUBFJGLVKIHG-SFHVURJKSA-N 337.467 3.850 0 50 EHAA O=C(NCc1ccno1)c1ccc2oc(-c3cccc(F)c3)nc2c1 95507859 SWCKRCAATMXQDR-UHFFFAOYSA-N 337.310 3.552 0 50 EHAA CCc1nc(CN2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)cs1 95392941 PNNMNUNUTBSICT-OAHLLOKOSA-N 330.453 3.783 0 50 EHAA CC(C)c1noc(-c2ccnc(NCc3ccc([C@H](C)O)cc3)c2)n1 180426404 ZTJVZIDQDYTCFR-ZDUSSCGKSA-N 338.411 3.920 0 50 EHAA Cc1nn(-c2ccccc2)cc1CNC(=O)c1cc2ccccc2[nH]1 181582336 AAJUXGWBLUMENG-UHFFFAOYSA-N 330.391 3.592 0 50 EHAA COCc1noc([C@@H](C)N(C)Cc2cc(Cl)cc(Cl)c2)n1 181561366 ZRSJYJZYFIIYIM-SECBINFHSA-N 330.215 3.716 0 50 EHAA Cc1cc(C(=O)NCc2noc(C3CC3)n2)sc1-c1ccccc1 568203689 QVVRZOUWAPCXKT-UHFFFAOYSA-N 339.420 3.914 0 50 EHAA O=C(c1ccncc1Br)N1CC[C@@H](c2ccc(F)cc2)C1 268681634 OMCNGEKAYBWAGL-GFCCVEGCSA-N 349.203 3.613 0 50 EHAA Cc1cc(NC(=O)c2cnc3c(c2)CCCC3)ccc1N1CCCC1=O 952986376 HFJBLVUZJYFCDO-UHFFFAOYSA-N 349.434 3.648 0 50 EHAA Cc1cnc([C@@H](C)CNC(=O)Nc2cccc(-c3cc[nH]n3)c2)s1 185956765 GQMRCZZYJKGPGR-NSHDSACASA-N 341.440 3.767 0 50 EHAA CCOc1cccc(CN(Cc2ccccn2)[C@H]2CCCNCC2)c1 275546483 DWOCZHZNLGHCIY-FQEVSTJZSA-N 339.483 3.625 0 50 EHAA CC1(C)OCc2cc(CNc3cccc(-c4nnc[nH]4)c3)ccc2O1 170597414 PCJRYUMJLNETLI-UHFFFAOYSA-N 336.395 3.729 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2c(F)cccc2Cl)c(C)c1 170593990 DCEWFEMZIOXUQG-UHFFFAOYSA-N 343.807 3.987 0 50 EHAA CSCC[C@H](NCc1ccc(Cl)c(C(F)(F)F)c1)C(=O)O 170612819 OYHUIQTUHOMGBU-NSHDSACASA-N 341.782 3.655 0 50 EHAA O=C(NC[C@H](O)c1c(Cl)cccc1Cl)Nc1ccccc1 304313099 RGCDNLRMEAAXGO-ZDUSSCGKSA-N 325.195 3.849 0 50 EHAA COc1cccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1F 192672134 WMDXZMTWGLAUAA-HXUWFJFHSA-N 343.398 3.846 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 12138668 WRBPRWMBAQXIHO-AWEZNQCLSA-N 326.396 3.750 0 50 EHAA O=C(c1ccoc1)N1CCC[C@](CO)(CCCc2ccccc2)C1 12298899 RVTGKUBXCGPEJA-HXUWFJFHSA-N 327.424 3.517 0 50 EHAA Cc1occc1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 13955145 GKHCMJIVRFGVFW-UHFFFAOYSA-N 327.365 3.549 0 50 EHAA OCC[C@@H]1CN(C/C=C/c2ccc(F)cc2)CCN1C1CCCCC1 19606434 NDZOKVGGAJTEHX-KTBYTZPXSA-N 346.490 3.540 0 50 EHAA Cc1ccc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)s1 19794599 ZEDURXFUUGOQRM-SFHVURJKSA-N 336.545 3.505 0 50 EHAA COC1(CC(=O)NCc2ccc(-c3scnc3C)cc2)CCC1 1857532436 IYVFIJFKJXQMNM-UHFFFAOYSA-N 330.453 3.694 0 50 EHAA CC1(NC(=O)[C@@H]2CCCN(c3nc4cc(Cl)ccc4o3)C2)CCC1 1857713409 HUULSPKTWDXZFX-GFCCVEGCSA-N 347.846 3.756 0 50 EHAA COCc1nc2n(n1)CCC[C@@H]2NC1CCC2(CCCCC2)CC1 329807398 ABTUUMXYSDIUSO-INIZCTEOSA-N 332.492 3.742 0 50 EHAA COc1cc(Cl)ccc1CNC(=O)N1CCC[C@H]1c1cc(C)no1 331582454 JGICPMVFYPGPNN-AWEZNQCLSA-N 349.818 3.692 0 50 EHAA Cc1ccc2cc(Cl)cc(C(=O)N3CCC(CC(=O)O)CC3)c2n1 649240148 KCIRFNPZFLTNLU-UHFFFAOYSA-N 346.814 3.524 0 50 EHAA Cc1cc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)sc1C 237847009 QWVZRBNMCMLGAK-UHFFFAOYSA-N 343.448 3.624 0 50 EHAA CC1(C)C[C@H](NC(=O)c2cccc(-c3ncn[nH]3)c2)c2ccccc2O1 156247874 QSBGZGFSDPEXMK-INIZCTEOSA-N 348.406 3.504 0 50 EHAA COc1cc(NC(=O)[C@H](C(=O)O)C(C)C)c(C2CC2)cc1Cl 909918115 MAWPLIJGKGTVLS-CQSZACIVSA-N 325.792 3.521 0 50 EHAA CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ncc(Br)cn1 921505810 CIZVTQBONDVBTD-LLVKDONJSA-N 342.237 3.701 0 50 EHAA Cc1nn(CC(F)F)cc1C(=O)Nc1ccc2nc(C3CC3)oc2c1 934291696 KGMYCDDICLALGS-UHFFFAOYSA-N 346.337 3.728 0 50 EHAA Cc1ccc(C2=CCN(C(=O)c3ccc(-c4cnc[nH]4)cc3)CC2)cn1 1152570555 BLPNQFDWOBVOTL-UHFFFAOYSA-N 344.418 3.710 0 50 EHAA CCC(CC)(CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)C(=O)O 872905558 XCVGLJIOPMWOOG-INIZCTEOSA-N 345.443 3.657 0 50 EHAA Cc1ccc([C@@H](C)C(=O)N[C@@H](CCC(=O)O)Cc2ccccc2)cc1 1875264010 COWSYEVJXZDVPL-APWZRJJASA-N 339.435 3.691 0 50 EHAA Cc1cc(C(=O)O)ccc1C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 1875277156 AOZJZMCEXZVLBB-QGZVFWFLSA-N 349.390 3.547 0 50 EHAA CCO[C@]12CCC[C@@]1(NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)CCO2 889809724 UXGLXGRFFGRCCV-CUDHKJQZSA-N 347.430 3.511 0 50 EHAA CC(C)c1coc([C@@H]2CCCN2C(=O)c2conc2C(F)(F)F)n1 1775996896 MECVGDOEWDEROD-NSHDSACASA-N 343.305 3.782 0 50 EHAA COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccncc1 35004 PFZPWZMOJRXVAN-LJQANCHMSA-N 331.375 3.861 0 50 EHAA CNCc1cccc(CNC(=O)c2cc3c(C)cc(C)nc3s2)c1 2325775023 SJVWOHHBOMSACZ-UHFFFAOYSA-N 339.464 3.563 0 50 EHAA Cc1ccc2c(N3CC[C@H](OCc4nccs4)C3)ccnc2c1 2325789287 IACXKMBSMJQNFU-AWEZNQCLSA-N 325.437 3.795 0 50 EHAA C[C@@H]1CCC[C@](NC(=O)c2cccc(F)c2C(F)(F)F)(C(=O)O)C1 2325812754 DXZAUMMDUNDISK-RFAUZJTJSA-N 347.308 3.608 0 50 EHAA COCC1(CNC(=O)c2ccc(-n3ccc4ccccc43)cc2)CC1 2325879643 CCHWXBZFFKVZHJ-UHFFFAOYSA-N 334.419 3.787 0 50 EHAA CN(C(=O)[C@@H]1C[C@H]1c1cncn1C)c1ccc(-c2ccccc2)cc1 1465541510 INEHZAOHZKNEQR-RTBURBONSA-N 331.419 3.854 0 50 EHAA C[C@H](C(=O)NC[C@@H](O)c1ccc2ccccc2c1)c1ccccc1F 109689691 VOGKESQXLSIOLM-VBKZILBWSA-N 337.394 3.932 0 50 EHAA CC1(C)C[C@H](NCc2nnc(-c3cccc(Cl)c3)o2)C(C)(C)O1 119862811 OOESEILRBRBCCC-ZDUSSCGKSA-N 335.835 3.826 0 50 EHAA Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCc2ccccc2C1 205328 BGYLEKQDFJZHEP-UHFFFAOYSA-N 329.465 3.865 0 50 EHAA COc1ccc(C(=O)Nc2cnc3ccccc3c2)c(OC)c1OC 309943 SGOIRNORUHLVNH-UHFFFAOYSA-N 338.363 3.513 0 50 EHAA NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCCC2 434008 QICZRYGXNONABL-UHFFFAOYSA-N 334.466 3.820 0 50 EHAA CCSc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1 461635 DLXCXVUIOAWWHL-UHFFFAOYSA-N 346.437 3.866 0 50 EHAA CCOC(=O)Nc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 1141062 CDXOXWPFDLASSR-UHFFFAOYSA-N 344.367 3.525 0 50 EHAA COc1ccc(-c2nnc(NC(=O)Nc3ccccc3F)s2)cc1 1254787 ZETHPPOVYUEYFD-UHFFFAOYSA-N 344.371 3.997 0 50 EHAA CCOC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 2774838 UVQSZHQDXPVLBG-MWLCHTKSSA-N 345.346 3.782 0 50 EHAA CCc1ccc2occ(CC(=O)Nc3ccc(C(=O)OC)cc3)c2c1 2875970 RSOACMTWANZUNA-UHFFFAOYSA-N 337.375 3.963 0 50 EHAA CCCN1CCC[C@@]2(CCCN2CCCCOc2ccccc2)C1=O 2356152739 YWBRJSNGZFIZSQ-OAQYLSRUSA-N 344.499 3.713 0 50 EHAA CCOC(=O)C1CCN(CCCOc2ccc(OC(C)C)cc2)CC1 6729144 PEBWRLXQROHUBK-UHFFFAOYSA-N 349.471 3.518 0 50 EHAA CC(=O)Oc1c(C)cc(CN2CCCC[C@H]2c2nc(C)no2)cc1C 55360957 KVCFGEKZVUZXOF-KRWDZBQOSA-N 343.427 3.647 0 50 EHAA COCc1ccc(CN2CCC[C@@H](N(C)CCc3ccccc3)C2)o1 20206186 BHVJUKDYKHRGCC-LJQANCHMSA-N 342.483 3.565 0 50 EHAA COCc1ncc(CN2CCC[C@H](CCc3ccc(F)cc3)C2)cn1 71614750 WBOLNEOPRBPBRK-QGZVFWFLSA-N 343.446 3.607 0 50 EHAA COc1ccc(-n2nc(C)nc2[C@@H](C)n2ccnc2C(C)C)cc1 65372430 DBXKNUNGYQABBZ-CYBMUJFWSA-N 325.416 3.514 0 50 EHAA C[C@@H]1CCCCN1CCC(=O)N[C@H]1CCSc2c(F)cccc21 253404946 GCWDLELVKWRCRG-CJNGLKHVSA-N 336.476 3.743 0 50 EHAA C[C@H]1COCCN1c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 152096337 ZSLGJMLMJIDSOD-ZDUSSCGKSA-N 342.464 3.714 0 50 EHAA Cn1ncnc1CSc1nc(-c2cccs2)nc2ccccc12 361254532 ZGCUZIHOMKZENC-UHFFFAOYSA-N 339.449 3.779 0 50 EHAA OCCCN(Cc1ccncc1)Cc1nc(-c2ccccc2)cs1 216232026 WXIWBPLFDWYRGI-UHFFFAOYSA-N 339.464 3.590 0 50 EHAA Cc1cc([C@@H]2CCCN2Cc2nn(C)c3cccc(Cl)c23)no1 216413358 NQGHBEOVGDFSRJ-HNNXBMFYSA-N 330.819 3.860 0 50 EHAA Cc1sc(C(=O)N2CC[C@H](N)C[C@@H]2C)cc1-c1ccc(F)cc1 237519327 ADMVBPVUYGGBOK-NHYWBVRUSA-N 332.444 3.814 0 50 EHAA CC(C)Cc1cc(C(=O)N(C)Cc2cc(-c3ccccc3)no2)on1 72411765 VWXSWMSLTXWIBV-UHFFFAOYSA-N 339.395 3.800 0 50 EHAA O=C(c1nc2ccc(Cl)cn2c1F)N1CCC[C@H]1c1ccco1 214956596 ONBWYBXVSJBJLL-NSHDSACASA-N 333.750 3.697 0 50 EHAA OCCNc1nc(Nc2cccc(C(F)(F)F)c2)nc2ccccc12 41150041 ZLGBDRVTAVTGQB-UHFFFAOYSA-N 348.328 3.796 0 50 EHAA O=C1C[C@H](C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)c2ccccc2N1 239352721 ADFKHGVUXVWASG-WDSOQIARSA-N 348.446 3.640 0 50 EHAA CCc1ccccc1OC1CN(C(=O)c2ccc(Cl)cc2F)C1 82097530 ITPLGRYPCCSGPQ-UHFFFAOYSA-N 333.790 3.945 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(-c2ccccn2)c1 263457719 BCWBKDLBPYZVGB-HOJAQTOUSA-N 336.435 3.966 0 50 EHAA COC(=O)C[C@H](c1c(O)c2ccccc2oc1=O)C1CCCCC1 143357032 KSDRQDDHRLICSE-AWEZNQCLSA-N 330.380 3.726 0 50 EHAA biogenic CC(C)n1c([C@H](C)NC(=O)c2cc(C3CC3)on2)nc2ccccc21 265598509 LRIGOPJHZLNVDK-LBPRGKRZSA-N 338.411 3.974 0 50 EHAA Clc1ccc(N2CCCCC2)cc1-c1nc([C@@H]2CCOC2)no1 96163385 SSQQHPWVZRLTNQ-GFCCVEGCSA-N 333.819 3.884 0 50 EHAA Cc1nc(N(C)Cc2cc(-c3ccccc3)on2)c2cccnc2n1 95390479 DUUNPDQSKXKLDL-UHFFFAOYSA-N 331.379 3.625 0 50 EHAA CCCn1nccc1NC(=O)N1CCC(Oc2cccc(C)c2)CC1 299756485 FRXBXPVZMWHNDQ-UHFFFAOYSA-N 342.443 3.677 0 50 EHAA CCC(F)(F)c1ccccc1NC(=O)NCC(=O)OC(C)(C)C 880777862 UPGYSZPHBAAXBW-UHFFFAOYSA-N 328.359 3.652 0 50 EHAA CCCn1cc(N[C@H](C)c2nc(-c3ccc(OC)cc3)no2)cn1 186318515 BVIYNGIUNIWNHT-GFCCVEGCSA-N 327.388 3.525 0 50 EHAA O=C(O)/C=C/c1csc(/C=C/c2cnn(Cc3ccccc3)c2)n1 170617535 FDKMETPBDVMTSN-CDJQDVQCSA-N 337.404 3.656 0 50 EHAA Cc1cc(C)n(-c2cncc(NC[C@@H]3CCCc4ccccc43)n2)n1 170618532 QBKDXIVWZUBWRF-KRWDZBQOSA-N 333.439 3.811 0 50 EHAA Fc1cccc(OCc2noc(C[C@@H]3OCCc4ccccc43)n2)c1 188095055 IWPITEOJDQUWIR-KRWDZBQOSA-N 340.354 3.644 0 50 EHAA CC(=O)c1cc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)ccc1C 193129795 BYQQYIPPADRHNA-GOSISDBHSA-N 341.407 3.612 0 50 EHAA Cc1nc(CN2CCC(CNC[C@@H](C)c3ccccc3)CC2)oc1C 194380442 IHSQDMYWDFFMMP-MRXNPFEDSA-N 341.499 3.897 0 50 EHAA CC1(C)[C@@H](CNC(=O)NCc2ccc(C3CC3)cc2F)C1(F)F 661223416 OOPFWRMHXKKMCJ-CQSZACIVSA-N 326.362 3.794 0 50 EHAA CC[C@@H](NC(=O)/C=C/c1cc(CO)cs1)c1nc(C)c(C)s1 1506409802 UAFUYOXUMNHBSK-VBROQKIQSA-N 336.482 3.594 0 50 EHAA Cc1nc([C@@H](C)N(C)C(=O)c2cc3c(nc2O)CCCC3)c(C)s1 1506400786 CHXJJXKJDWJQLQ-SNVBAGLBSA-N 345.468 3.573 0 50 EHAA CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1sccc1C 1506397604 WUYHDXMCANOVLO-GOSISDBHSA-N 329.513 3.938 0 50 EHAA CO[C@H](C)c1nnc(NC(=O)c2ccc(-c3ccccc3)n2C)s1 1529192026 NYCCAKNBJVVOLZ-LLVKDONJSA-N 342.424 3.503 0 50 EHAA C[C@H]1CCCN(CCCOc2ccccc2C(=O)C2CCOCC2)C1 1772805624 QUXDPNWBORSPSS-KRWDZBQOSA-N 345.483 3.797 0 50 EHAA Cc1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccccc1F 5033406 DDPMOAOPZJUFIN-UHFFFAOYSA-N 330.750 3.621 0 50 EHAA CC(C)c1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 5388267 FGKGAKJLPWSHHW-UHFFFAOYSA-N 347.418 3.672 0 50 EHAA CCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 5354914 FFGLJUMVIJBFLE-OAHLLOKOSA-N 334.423 3.723 0 50 EHAA Cc1c(Cl)cccc1-n1nnc(C(=O)N(C)c2ccccc2)c1C 11690348 FYPFJZBOQVZIMG-UHFFFAOYSA-N 340.814 3.814 0 50 EHAA O=C(Cc1noc(-c2ccc(F)cc2)n1)Nc1ccccc1Cl 16579218 JUHHJGCGJHISDG-UHFFFAOYSA-N 331.734 3.710 0 50 EHAA CCN(C(=O)c1cc2cc(OC)ccc2oc1=O)C1CCCCC1 238708 FLNFVIRVSJJBAC-UHFFFAOYSA-N 329.396 3.596 0 50 EHAA biogenic FC(F)COCCSc1nnc(-c2c[nH]c3ccccc23)o1 225433367 QKSXLPPDKQHHRM-UHFFFAOYSA-N 325.340 3.592 0 50 EHAA CC(=O)Nc1ccc(NC(=O)[C@H]2CCCc3cccnc32)c(Cl)c1 225507113 WRHDCMSPRYGXCW-AWEZNQCLSA-N 343.814 3.752 0 50 EHAA CC(C)CCO[C@@H](C)c1nc(-c2cnc(C3CCCC3)[nH]c2=N)no1 426202461 UYDKXGICWWQYHY-LBPRGKRZSA-N 345.447 3.720 0 50 EHAA Cc1nc2cc(F)ccc2cc1C(=O)N1CCCC[C@H]1CCC(=O)O 237745352 HFAIRAMCNAZVNZ-HNNXBMFYSA-N 344.386 3.542 0 50 EHAA CC(C)(C)n1nnc(CN[C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)n1 653633860 BDXVVJJYTDCBLF-HUUCEWRRSA-N 333.867 3.507 0 50 EHAA CCN(Cc1cnn(C)c1)C(=O)c1ccccc1NC1CCCCC1 684565964 BCMVROSIHNOVFO-UHFFFAOYSA-N 340.471 3.827 0 50 EHAA COc1ccccc1-c1nn(C)cc1C(=O)N(C)[C@H]1CCC(C)(C)C1 362191142 PMVPFAMYHUOXDF-AWEZNQCLSA-N 341.455 3.746 0 50 EHAA COC(=O)Nc1cccc(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1 803543667 CTGBMFRMTVQTGD-CVEARBPZSA-N 330.428 3.720 0 50 EHAA CC1(C)COCC[C@@H]1Nc1ccc(NC(=O)c2ccccc2)cn1 1875285613 SVDJHJRCUWDWQU-INIZCTEOSA-N 325.412 3.561 0 50 EHAA Cc1ccc(F)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1F 1875355898 FUXVQQMAJRYJNY-UHFFFAOYSA-N 335.734 3.867 0 50 EHAA COc1cccc(OCCNC(=O)Cc2cccc3ccccc23)c1 2326784 BQQNZJYTLJHCPX-UHFFFAOYSA-N 335.403 3.586 0 50 EHAA O=C(O)C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 4743865 PYMZRPHJOLGKPA-ANCGMVAHSA-N 345.414 3.674 0 50 EHAA CC[C@@H](C)c1csc(NC(=O)N(C)Cc2ncc(Cl)n2C)n1 2325728095 XNTJWSZTTWBJDV-SECBINFHSA-N 341.868 3.707 0 50 EHAA Fc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 222230 SYANRGJUXDCGLD-GJZGRUSLSA-N 329.766 3.612 0 50 EHAA CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2OC)c1 471369 IAHFDXKTQNDQRY-UHFFFAOYSA-N 332.787 3.949 0 50 EHAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 484061 QWHZBNHBBJIOFC-NXEZZACHSA-N 338.816 3.779 0 50 EHAA CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccccc4)cc1c32 2200911 MFGBZJNDIFAXIR-UHFFFAOYSA-N 347.370 3.631 0 50 EHAA C[C@@H](C(=O)c1ccc(Cl)cc1)n1nc(-c2ccco2)ccc1=O 4993436 FHJAHRQWYCJKLK-NSHDSACASA-N 328.755 3.601 0 50 EHAA C[S@@](=O)CCNCc1ccc(-c2cccc(Cl)c2Cl)o1 225395355 GZEAGKCQZFNURH-HXUWFJFHSA-N 332.252 3.722 0 50 EHAA Cc1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)[C@H](C)C2)cc1 55089409 NQZPMYZWPAEMNO-QGZVFWFLSA-N 348.450 3.756 0 50 EHAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]21 100187008 NFSQIKKFIWWKIX-KFZJALRRSA-N 327.811 3.906 0 50 EHAA O=C1CCc2cc(C(=O)N[C@@H]3CCCCC34CCCC4)c(F)cc2N1 462420303 UUFINDWXSSYKFD-QGZVFWFLSA-N 344.430 3.943 0 50 EHAA O=C(O)c1ccccc1CN(Cc1ccsc1)C[C@H]1CCCO1 55269611 RFCBGJOXPXCCDA-MRXNPFEDSA-N 331.437 3.628 0 50 EHAA Cc1ccc(-c2ccnc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c23)cc1 67320742 KCJPAUJIERYYCO-AWEZNQCLSA-N 334.423 3.530 0 50 EHAA O=C1N(CCCc2ccccc2)CCC[C@]12CCN(c1ccccn1)C2 11769391 OIOFAAHZYKRNPP-JOCHJYFZSA-N 349.478 3.533 0 50 EHAA CSc1ccc(N(C)C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 352929833 ICYSUOUSOVAHMO-OAHLLOKOSA-N 344.411 3.636 0 50 EHAA Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 67894713 GBVWCHQKNDOWIS-MRXNPFEDSA-N 335.407 3.998 0 50 EHAA CCC(CC)n1ncc(C(=O)N2CCOc3ccc(F)cc3C2)c1C 252493949 NHEAIUZRHGAKFZ-UHFFFAOYSA-N 345.418 3.727 0 50 EHAA COc1ccc(Cl)cc1-n1nc(C2CC2)nc1[C@@H](C)n1ccnc1 65435581 YZRLUJLAZHINIZ-LLVKDONJSA-N 343.818 3.613 0 50 EHAA CC(=O)c1ccc(C(=O)N[C@H]2CCCN(C3CCCCCC3)C2)s1 12576931 BFKJCEDUYSREQQ-HNNXBMFYSA-N 348.512 3.868 0 50 EHAA O=c1c2ccccc2ncn1CC[C@@H]1CCCCN1C1CCCC1 32577714 WPJSUSAEMWUDBL-KRWDZBQOSA-N 325.456 3.584 0 50 EHAA CCCOC[C@@H]1CCN(C(=O)c2cc(C)nc3ccc(CC)cc23)C1 77555321 PDQXCBIIFKMMFD-QGZVFWFLSA-N 340.467 3.994 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 153183850 HCRNUFNCUYDPCO-HBUWYVDXSA-N 341.455 3.509 0 50 EHAA Cc1cc(Cn2ccnc2-c2cccc(OCc3ccccn3)c2)no1 72155928 VAFWHPGEXMJFCC-UHFFFAOYSA-N 346.390 3.869 0 50 EHAA COc1ccc2cc([C@@H]3CN(c4ccncc4F)CCO3)ccc2c1 71575901 VHCILXNQZYZVJW-FQEVSTJZSA-N 338.382 3.960 0 50 EHAA CC(C)c1nccc(-c2nccn2CCSc2ccccn2)n1 77488819 MANFUQPDIVJJDT-UHFFFAOYSA-N 325.441 3.651 0 50 EHAA COC(=O)c1cc(-c2ccc(C)cc2)nc2c3c(C)cc(C)nc3nn12 13645196 LJUGWSNVDPVLBU-UHFFFAOYSA-N 346.390 3.656 0 50 EHAA COCc1cc(CN2CCCN(c3ccccc3)CC2)ccc1OC 72144397 MEMDOYYTPJQYAJ-UHFFFAOYSA-N 340.467 3.554 0 50 EHAA CC(C)c1noc([C@@H]2CCCN2Cc2cccc(-n3cccn3)c2)n1 77457797 FYFIQHPLSNFXFQ-KRWDZBQOSA-N 337.427 3.716 0 50 EHAA O=C(c1cnc(-c2ccco2)s1)N1CCOc2ccc(F)cc21 176323506 ANWJCOQKNACUSR-UHFFFAOYSA-N 330.340 3.581 0 50 EHAA C[C@@H](NC(=O)CCCc1ccccc1)c1nncn1C1CCCC1 223285844 DTJNMYCHDQMZOP-OAHLLOKOSA-N 326.444 3.593 0 50 EHAA CNc1nc(C)cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)n1 97674055 WTKXDSFMXRQLNU-UHFFFAOYSA-N 326.444 3.753 0 50 EHAA O=C1CCC2(CCN(Cc3ccsc3)CC2)CN1C1CCCC1 91691400 HTKFERYYBZHPIG-UHFFFAOYSA-N 332.513 3.895 0 50 EHAA CCn1ccnc1[C@H]1CCCN(CCCOc2cccc(OC)c2)C1 91604756 NCYIYUVYLSFLJB-KRWDZBQOSA-N 343.471 3.560 0 50 EHAA Cc1ccsc1[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)N(C)C 91726157 FJRXOSIMOOTGKH-MRXNPFEDSA-N 346.471 3.646 0 50 EHAA CN(C)C(=O)CC[C@@H]1CCCN(c2ccc3cc(Cl)ccc3n2)C1 96161354 BLJREKURMAXGOR-AWEZNQCLSA-N 345.874 3.973 0 50 EHAA O=C(CCN1CCCC[C@@H]1c1ccccn1)Nc1ccccc1F 252483796 FINQUSWUJONYTJ-GOSISDBHSA-N 327.403 3.777 0 50 EHAA COc1ccc([C@](C)(O)[C@@H](c2ccccc2)[C@H]2CCCCN2)cc1 257356293 HGOAFHCXOPDXNZ-HKBOAZHASA-N 325.452 3.829 0 50 EHAA O=C(CCN1CCCCCC1)NCc1ccc(-c2ccccc2)o1 299798295 RWMZJWUTMNAHBY-UHFFFAOYSA-N 326.440 3.829 0 50 EHAA CCc1nccn1C[C@H](C)NCCCc1nc2ccc(Cl)cc2[nH]1 823557467 QVUHMBRHUJCRCR-ZDUSSCGKSA-N 345.878 3.586 0 50 EHAA CCCc1nc(C)c(CNC(=O)NCCc2ccccc2F)s1 823015165 IVGYLLMORGYYPJ-UHFFFAOYSA-N 335.448 3.585 0 50 EHAA CCC(CC)n1ncc(C(=O)NCCc2nc3ccccc3o2)c1C 408513669 MDBMZHQZWUVTFU-UHFFFAOYSA-N 340.427 3.666 0 50 EHAA CC(=O)c1c(F)cccc1N1CC[C@H](CNc2cccc(C)n2)C1 171365529 CIUVLNRBTMNVSJ-OAHLLOKOSA-N 327.403 3.670 0 50 EHAA COc1cc(C)ccc1N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 170592571 KRADWAFIJBNHQF-ZDUSSCGKSA-N 334.441 3.548 0 50 EHAA Cc1noc(C)c1C(=O)Nc1cc(Br)c(F)cc1F 188152401 SYOGACNUKIKRHJ-UHFFFAOYSA-N 331.116 3.584 0 50 EHAA O=C(Nc1cccc(CCN2CCCC2)c1)c1coc(C2CCC2)n1 194813478 BYYZBSSGZRLCEW-UHFFFAOYSA-N 339.439 3.833 0 50 EHAA Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@@H]1CCCc2cccnc21 195374435 XHDKYBWLWXTESM-MJGOQNOKSA-N 337.467 3.984 0 50 EHAA Cn1cc(CNc2ccc3c(c2)oc(=O)n3C)c(C2CCCCC2)n1 680131729 MNWVAXSVBZRPOL-UHFFFAOYSA-N 340.427 3.525 0 50 EHAA Cc1ccc(-c2nnc(NC(=O)CC[C@@H]3CCCCN3C)s2)cc1 1506427908 VEXGOQCVQFYUSW-HNNXBMFYSA-N 344.484 3.717 0 50 EHAA C[C@H](NC(=O)N(C)Cc1cc(-c2ccncc2)no1)c1ccccc1 1506398750 FVALMSJRHFULMY-AWEZNQCLSA-N 336.395 3.639 0 50 EHAA O=C(c1ccccn1)[C@H]1CCCN(CCCOc2ccc(F)cc2)C1 1529186331 BSRBNMRRTZNATB-INIZCTEOSA-N 342.414 3.585 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cc(F)ccc3Cl)C[C@H]2C1 1529166992 GXVSRBBUEQUPQD-CUFDPUGPSA-N 338.854 3.670 0 50 EHAA CSc1ccc2c(C)cc(N[C@H]3CC(=O)N(C(C)C)C3)nc2c1 1529180636 GBAJSTZUQPJNBO-ZDUSSCGKSA-N 329.469 3.686 0 50 EHAA Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(CCO)C(C)C 12005406 JPVNPPABNHUHJJ-UHFFFAOYSA-N 342.361 3.872 0 50 EHAA Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)on1 12847519 ZODIVSQTTCOVPQ-UHFFFAOYSA-N 344.802 3.750 0 50 EHAA O=C(CCC1CCCC1)N1CCN(Cc2ccccc2Cl)CC1 19841754 ACMYLPIAWKPDEW-UHFFFAOYSA-N 334.891 3.955 0 50 EHAA O=C(NCCn1ccnc1)N1CCCCC[C@H]1c1ccc(Cl)cc1 117467311 PWLLZCLIHYMAPO-KRWDZBQOSA-N 346.862 3.863 0 50 EHAA O=C(Nc1cccc(CN[C@@H]2CCCOC2)c1)c1ccccc1Cl 237861005 RLJLMYLNZOAQMH-MRXNPFEDSA-N 344.842 3.861 0 50 EHAA CC(C)c1nnc2n1C[C@@H](Nc1ncc(Cl)cc1Cl)CC2 252499375 RZSLIGIKJQZRFU-JTQLQIEISA-N 326.231 3.530 0 50 EHAA O=C(CCCc1nccs1)NCCc1c[nH]c2ccc(Cl)cc12 252509109 YCPABCFZWMQYQT-UHFFFAOYSA-N 347.871 3.959 0 50 EHAA Cc1nc(-c2cccc(CN3CCC4(CCCC4)C3)c2)[nH]c(=O)c1C 23311638 AISOIEZVDNIKCG-UHFFFAOYSA-N 337.467 3.820 0 50 EHAA O=C(NCc1nnc(C2CC2)o1)c1csc(C2CCCCC2)c1 935482648 QGNVZVCEBSHLGO-UHFFFAOYSA-N 331.441 3.986 0 50 EHAA COc1ccccc1Cc1noc([C@H](C)Oc2ccc(Cl)nc2)n1 1875259319 BQWDUHLGAZPQGV-NSHDSACASA-N 345.786 3.857 0 50 EHAA O=C(NC12CSC(C1)C2)c1cc(C(F)(F)F)nc2ccccc12 1875323042 UIOVAEMOFCZCIV-UHFFFAOYSA-N 338.354 3.631 0 50 EHAA Fc1ccc(CN2CC(Nc3ncccn3)C2)cc1-c1cccs1 2325859642 FDVOOYWECFQQFM-UHFFFAOYSA-N 340.427 3.641 0 50 EHAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3nscc3c2)cc1 2325889779 UQQZIKHMOMEPIE-UHFFFAOYSA-N 337.404 3.697 0 50 EHAA CCOc1ccc(C(=O)NCCc2ccc(F)cc2)cc1OCC 318213 WWRMCMCIZRHUMA-UHFFFAOYSA-N 331.387 3.596 0 50 EHAA biogenic O=C(c1ccc(Cl)cc1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 436032 QISJWZAKSAAHGR-SMDDNHRTSA-N 346.736 3.593 0 50 EHAA CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 456428 VNUHZMSFIHQIES-UHFFFAOYSA-N 346.427 3.956 0 50 EHAA CCCOC(=O)[C@@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 1775315 JPPBXHUUAUYECG-GFCCVEGCSA-N 342.420 3.639 0 50 EHAA COC(=O)CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1ccccn1 1794656 IIVATUUXZYTUDG-UHFFFAOYSA-N 340.423 3.589 0 50 EHAA COc1ccc(OC)c(NC(=O)COc2ccc3c(c2)CCCC3)c1 2879477 CMJFIPBCSCQMFQ-UHFFFAOYSA-N 341.407 3.600 0 50 EHAA Cc1cc(C)n(-c2ccc(F)cc2CN2[C@H]3CCC[C@@H]2C[C@H](O)C3)n1 2356168137 RCLMSILUOWGWLC-BWTSREIZSA-N 343.446 3.506 0 50 EHAA CCOC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)c1sccc1CC 225485644 ZYFTUVURPQDMBL-INIZCTEOSA-N 345.464 3.523 0 50 EHAA C[C@H]1CCN(C(=O)C2CCNCC2)[C@H]1c1ccc(C(F)(F)F)cc1 225562231 IGVONATZDIEUSU-BLLLJJGKSA-N 340.389 3.615 0 50 EHAA COCc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)o1 55370956 CTBDLEHRYGSGOJ-UHFFFAOYSA-N 345.786 3.577 0 50 EHAA C[C@H](CO)CN(Cc1ccccc1)Cc1ccccc1Cn1cccn1 55053646 CWRIIBHWHFYTQE-IBGZPJMESA-N 349.478 3.562 0 50 EHAA O=c1c(CN2CCc3c([nH]c4ccccc34)C2)coc2ccccc12 22780220 DZZDXCGBBPZNEU-UHFFFAOYSA-N 330.387 3.833 0 50 EHAA CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@H](NC1CCCC1)C3 20999304 XGCAIEWUBQOTTB-AWEZNQCLSA-N 345.512 3.504 0 50 EHAA COCc1cc(Cn2cnc(-c3ccccc3)c2-c2cccnc2)n[nH]1 67885151 OGGYFQCBYYYGNN-UHFFFAOYSA-N 345.406 3.530 0 50 EHAA Cc1nccn1CCCc1nc(C2CC2)nn1-c1ccc(Cl)cc1 65435720 OTCDFRSPPWPCMF-UHFFFAOYSA-N 341.846 3.936 0 50 EHAA Clc1cccc([C@@H](Cc2cccnc2)NCC2=CCCOC2)c1 348208979 VRSQMWACOIHDAR-LJQANCHMSA-N 328.843 3.955 0 50 EHAA Cc1ccc2c(C(=O)N3CCCC[C@H]3C)cc(-c3cnn(C)c3)nc2c1 63871054 PDSZHNTZDGYPNC-OAHLLOKOSA-N 348.450 3.958 0 50 EHAA C[C@@H](NC(=O)Nc1ccccc1-c1ccncc1)C1CCOCC1 118988957 RCEFDSPYYGGDST-CQSZACIVSA-N 325.412 3.685 0 50 EHAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)c1ccc[nH]1)CCO2 67789086 FIMMUCUKAMGVQJ-UHFFFAOYSA-N 348.402 3.731 0 50 EHAA COc1ccc(-c2cc(F)cc3c2O[C@@H](CN)C3)cc1C(F)(F)F 67714529 XCCQFCAXLRADMH-GFCCVEGCSA-N 341.304 3.782 0 50 EHAA COc1ccc(NC(C)=O)cc1-n1ccnc1[C@@H](C)c1ccccc1 72411919 LOWFROHZVJBSOY-AWEZNQCLSA-N 335.407 3.991 0 50 EHAA Cc1cccc(C)c1CCNC(=O)N[C@H]1CCOC2(CCCC2)C1 151448777 JTFPCYRFDALNNS-KRWDZBQOSA-N 330.472 3.637 0 50 EHAA O=C(Cc1n[nH]c2ccccc12)N[C@H]1CC[C@@H](c2ccccc2F)C1 366671091 QBAFOLCHRSNVDG-KGLIPLIRSA-N 337.398 3.697 0 50 EHAA Cc1ccccc1-c1cccc(CN2CCOC[C@@H](CN(C)C)C2)c1 72156214 JJEMHHIXXFEFEK-FQEVSTJZSA-N 338.495 3.672 0 50 EHAA Cn1ncc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1C1CC1 72463285 BHQUIKCYPGVQFF-HNNXBMFYSA-N 335.455 3.553 0 50 EHAA O=C1CCCN1[C@H]1CCCN(Cc2ccc(-c3ccccc3F)o2)C1 215347488 GLFUWDGUYLBILT-HNNXBMFYSA-N 342.414 3.673 0 50 EHAA CC[C@H](C)[C@@H](NC(=O)Cc1cc2ccccc2c(O)n1)C(F)(F)F 451434930 UGOLQZMQZODLEW-ZUZCIYMTSA-N 340.345 3.576 0 50 EHAA Cn1nccc1CCN1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 285027688 MUYZQCDDZIMJFF-LJQANCHMSA-N 335.455 3.580 0 50 EHAA Cc1nnc(CN2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 175932442 QQYSLHNUCWXXGG-GFCCVEGCSA-N 342.226 3.728 0 50 EHAA CC(C)c1nnc([C@H](C)NC(=O)CCCc2c[nH]c3ccccc23)o1 220686990 HEKNWDPTIMXBHO-ZDUSSCGKSA-N 340.427 3.874 0 50 EHAA CC[C@@H](C)Oc1cccc(NCc2cnc(C3OCCO3)s2)c1 289273171 NSMODMVOPWDMRD-GFCCVEGCSA-N 334.441 3.978 0 50 EHAA Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 82096791 AUZFGCZMJYTNOP-LBPRGKRZSA-N 338.238 3.747 0 50 EHAA Cn1c(-c2cccc(Cl)c2)cn(CC(=O)c2ccc(F)cc2)c1=N 334157635 WUSWNNWSIMTFAL-UHFFFAOYSA-N 343.789 3.648 0 50 EHAA Cc1ccc2nc(C(=O)N3CCC[C@H]3c3cc(C(C)C)on3)cn2c1 91551954 VEWJEUSKWITVJV-INIZCTEOSA-N 338.411 3.731 0 50 EHAA O=C(Nc1cc(F)c(F)cc1F)N1CCCC2(CCOCC2)C1 97532170 YWMLWTZPICTKSX-UHFFFAOYSA-N 328.334 3.528 0 50 EHAA O=C(NCCCSCc1ccco1)c1ccc2ncsc2c1 97805574 UHYDYJOWFCGOIF-UHFFFAOYSA-N 332.450 3.943 0 50 EHAA COc1ccc(C2(C(=O)N3CCCC[C@@H]3c3cc(C)on3)CC2)cc1 252505401 VQYUONSWZXPLKY-GOSISDBHSA-N 340.423 3.777 0 50 EHAA CC(C)c1noc(-c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)n1 263616942 LHEQVGJBLKPSBK-HNNXBMFYSA-N 344.802 3.981 0 50 EHAA Cc1ccc([C@H](C)CCN(C)Cc2nc(O)c3sccc3n2)o1 670446008 DBXBJOJXGGGDAH-LLVKDONJSA-N 331.441 3.924 0 50 EHAA CCOc1ccc(CN(C)[C@H](COC)c2ccccn2)cc1Cl 952974116 LBTSNUUCBFJRNU-QGZVFWFLSA-N 334.847 3.953 0 50 EHAA C/C(=C\c1cccc(C(=O)O)c1Cl)c1nc2sccc2c(=O)[nH]1 188805070 AKXOFMDQVZJOJZ-BQYQJAHWSA-N 346.795 3.897 0 50 EHAA Cc1cccn2cc(CNc3ccccc3[C@H](O)C(F)(F)F)nc12 408514037 HBHNJZZPWXTREP-HNNXBMFYSA-N 335.329 3.851 0 50 EHAA Cc1ccc(C(=O)NCCc2nc(-c3ccccn3)cs2)c(C)c1 109880359 DTQVVQPCPUGRHQ-UHFFFAOYSA-N 337.448 3.794 0 50 EHAA Cc1noc(C)c1[C@H](C)CNC(=O)N1CCc2cc(Cl)ccc2C1 189652960 SUDCOXXPPYAPGH-LLVKDONJSA-N 347.846 3.816 0 50 EHAA CC[C@H](C(=O)NC1CCCC1)N(C)Cc1cc2cc(F)ccc2[nH]1 1529173686 PDQVMEBFSNRYEJ-GOSISDBHSA-N 331.435 3.576 0 50 EHAA Cc1cccc(NS(=O)(=O)c2ccccc2Br)c1C 7053066 LUAGXHKMNXFILL-UHFFFAOYSA-N 340.242 3.867 0 50 EHAA in-vitro CSCC[C@H](C)N1CCCN(C(=O)c2cccc(C)c2C)CC1 1772818198 PCCGDYYKNPOPGM-INIZCTEOSA-N 334.529 3.593 0 50 EHAA Cc1ccc(N[C@H]2CCCN(C(=O)c3scnc3C)C2)cc1C 12299382 DECOTBFFIJZJNP-INIZCTEOSA-N 329.469 3.785 0 50 EHAA COc1ccc(N[C@@H]2CCCN(C(=O)C3=CCCCC3)C2)cc1OC 12432862 KKWSNDCFORIPQD-QGZVFWFLSA-N 344.455 3.607 0 50 EHAA Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccoc2)cc1C 12714889 YLIOUYQBGXPSFN-GOSISDBHSA-N 335.407 3.890 0 50 EHAA COC(=O)c1ccccc1NC(=O)NC12CC3CC(CC(C3)C1)C2 4820401 VUBCJUDHQPWFOR-UHFFFAOYSA-N 328.412 3.564 0 50 EHAA Cc1cnc([C@H](C)NC(=O)c2cc(C)c(Br)cc2C)o1 330724838 ZCGCGNKUXGVBNT-NSHDSACASA-N 337.217 3.853 0 50 EHAA O=C(O)CCN1CCC(COc2cc(Cl)cc(Cl)c2)CC1 238161367 UXQXHGBGFJWNNH-UHFFFAOYSA-N 332.227 3.559 0 50 EHAA Cc1cc(Cl)c(C(=O)N[C@H]2C[C@H](C(=O)O)c3ccccc32)cc1C 653327904 BEALLXZBGJDQRG-YOEHRIQHSA-N 343.810 4.000 0 50 EHAA O=C(c1cccc2c[nH]nc12)N1CC[C@@](F)(c2cccc(Cl)c2)C1 338304440 OKXYOYLWEUKWNI-SFHVURJKSA-N 343.789 3.927 0 50 EHAA CC(=O)c1ccc(N2CCOCC2)c(-c2cccc(-c3cc[nH]n3)c2)c1 20877549 OQEUSBUBWHKERW-UHFFFAOYSA-N 347.418 3.783 0 50 EHAA O=C(NCCc1ccnc2ccccc12)[C@]1(c2ccccc2)CCCO1 824932899 LDAJEOHXGANLLY-JOCHJYFZSA-N 346.430 3.599 0 50 EHAA Cc1sc2nc(CN[C@@H]3CCOC34CCCCC4)nc(O)c2c1C 933871138 GLJONQZGMKHLEQ-CYBMUJFWSA-N 347.484 3.595 0 50 EHAA COc1cc(Cl)c(Cl)cc1-c1nnc([C@@H]2CCCOC2)o1 886084638 UJLQYDAPNSNBAA-MRVPVSSYSA-N 329.183 3.946 0 50 EHAA O=C(NCCc1coc(-c2ccccc2)n1)c1cc(F)cc(F)c1 1318156863 BSKZTESOOIMDAB-UHFFFAOYSA-N 328.318 3.592 0 50 EHAA Cn1cc(Br)c(C(=O)Nc2ccccc2C(C)(C)C)n1 2764103 OETIKXUJWYBOLU-UHFFFAOYSA-N 336.233 3.732 0 50 EHAA CCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(C)cc1C 11691483 GEJVBHSJVRBAMX-UHFFFAOYSA-N 347.436 3.607 0 50 EHAA CN[C@@H](CC(C)(C)C)c1nc(-c2ccc(-n3ccc(C)n3)cc2)no1 843240025 OCTHJGSHMRORMH-INIZCTEOSA-N 339.443 3.927 0 50 EHAA Cn1c(CN2CCC(c3cc4ccccc4[nH]3)CC2)nc2ccncc21 2325809247 VBOVBBNUBWXTJX-UHFFFAOYSA-N 345.450 3.829 0 50 EHAA Clc1ccc(O[C@@H]2CCN(c3nccc4cnccc34)C2)cc1 2325855119 ISJZFOYLVUVQOO-MRXNPFEDSA-N 325.799 3.941 0 50 EHAA CCN(CC)[C@H](CNC(=O)C12CC1C2)c1ccc(C(F)(F)F)cc1 2325897822 JUWHBOKJWRNZRR-ISXOHVOVSA-N 340.389 3.615 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccc3c(Cl)nccc3c2)cc1 149845054 INLVEWAPRIFTRL-UHFFFAOYSA-N 332.812 3.997 0 50 EHAA Cc1cc(=O)oc2cc(OC[C@@H]3CC(c4ccccc4)=NO3)ccc12 158709 VMRUSQJJHDHSOO-INIZCTEOSA-N 335.359 3.673 0 50 EHAA biogenic Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccco4)cc3n2)cc1 168898 RYLVQQSKMBBJOU-UHFFFAOYSA-N 332.363 3.883 0 50 EHAA COc1ccc(OC)c(NC(=O)COc2cc(C)cc(C)c2C)c1 460983 INVGSFRQFZNOPZ-UHFFFAOYSA-N 329.396 3.647 0 50 EHAA Cc1ccc(N2C[C@@H](C(=O)Oc3ccccc3Cl)CC2=O)cc1 613829 KNXFHINLGFKNDM-ZDUSSCGKSA-N 329.783 3.607 0 50 EHAA COc1ccc2cc(Br)ccc2c1CC(=O)NC(C)C 617200 BPACWPDBQBJTNK-UHFFFAOYSA-N 336.229 3.678 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C 619151 WVKAEIXCQHXDDZ-UHFFFAOYSA-N 340.242 3.867 0 50 EHAA CCn1c([C@H](C)Oc2ccc(Br)cc2)n[nH]c1=S 2536748 XUAUVCCHEHLJCW-QMMMGPOBSA-N 328.235 3.863 0 50 EHAA COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC 2877079 CRLNCEZRMMLCIH-UHFFFAOYSA-N 329.425 3.672 0 50 EHAA CN(C)Cc1ccc([C@H]2CCCCN2Cc2ccn3ncnc3c2)cc1 2356168240 VRVWYJLQRJVXKS-HXUWFJFHSA-N 349.482 3.518 0 50 EHAA Cc1ccc(-c2noc(CNC(=O)c3ccc(Cl)cc3)n2)cc1 4858306 XUMNJAAMYBISDE-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)C1 225397187 LKFBELBFPVKAOR-DINLJIAVSA-N 329.440 3.642 0 50 EHAA C[C@@H](CNC(=O)c1coc2ccccc12)N1CCc2sccc2C1 113024898 VPTWJCKONVDGDX-ZDUSSCGKSA-N 340.448 3.671 0 50 EHAA CCc1cccc(N(C(=O)Cc2nnc(C)o2)[C@@H]2C[C@H]3CC[C@H]2C3)c1 247366057 RCMGENQIIUPEPP-XYJFISCASA-N 339.439 3.705 0 50 EHAA Cc1nn(-c2ccccc2)c(OB(F)F)c1C(=O)c1ccccc1 170622735 DARDCHQHCUYDNT-UHFFFAOYSA-N 326.111 3.714 0 50 EHAA C/C(=C\c1ccco1)[C@H]1CC(=O)Nc2c1c(-c1cccnc1)nn2C 65395691 SNWXHTXXLYGXCH-SAAWKEMMSA-N 334.379 3.604 0 50 EHAA O=C(NCc1ccccc1Cl)C1CCN(Cc2ccccc2)CC1 20100533 VMRMVZQEJRLATM-UHFFFAOYSA-N 342.870 3.868 0 50 EHAA O=C(c1cnc2cc(-c3ccccc3)nn2c1)c1cc(Cl)ccc1O 21729201 ALSJUDNOOFWCDN-UHFFFAOYSA-N 349.777 3.986 0 50 EHAA O=C(CCC(=O)N1CCCC[C@@H]1c1ccccn1)c1ccc(F)cc1 215903860 MRDQKCVYOIYEQM-GOSISDBHSA-N 340.398 3.937 0 50 EHAA COc1ccc(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 20744457 TZEXPTQYBOKHTH-UHFFFAOYSA-N 349.434 3.520 0 50 EHAA COc1c(Cl)cc(NC(=O)c2nnc3ccccc3n2)cc1Cl 354141648 YIAGXPZEGRUMKS-UHFFFAOYSA-N 349.177 3.593 0 50 EHAA O=C(Nc1nnc(C(F)(F)F)s1)[C@H]1C[C@H]1c1ccc(Cl)cc1 374410 RCWXNQPZQYFGJJ-IUCAKERBSA-N 347.749 3.953 0 50 EHAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1ccc2sc(C)nc2c1 77519385 JJNQNQLSVTVTSL-CQSZACIVSA-N 346.452 3.553 0 50 EHAA COc1cnc(CN2CCCC[C@H]2CCc2ccccc2)cc1O 72145879 TXMVBEYTZPCSKO-SFHVURJKSA-N 326.440 3.783 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@H]3Cn3cccn3)c2c1 77320241 LWHSUPYXPWZLME-KRWDZBQOSA-N 348.450 3.661 0 50 EHAA O=C(c1ccoc1C1CC1)N1CCC[C@H]1C[C@H](O)c1cccs1 253430500 JOLCJPXQLRLJDA-ZFWWWQNUSA-N 331.437 3.947 0 50 EHAA Cc1ccc2c(=O)n(CC3(N4CCCCC4)CCCC3)cnc2c1 32537339 DMQSXJCREDTMAS-UHFFFAOYSA-N 325.456 3.504 0 50 EHAA CC(C)Cn1ccnc1CNC(=O)N1CCC[C@H]1c1cccs1 173458875 PUMKPXUFZBTTEH-AWEZNQCLSA-N 332.473 3.647 0 50 EHAA C[C@@H](C(=O)O)c1cccc(NC(=O)c2cccc([C@H]3CCOC3)c2)c1 262821275 AVUFEKQQCFVGQV-DYVFJYSZSA-N 339.391 3.631 0 50 EHAA Cc1cc(N2CCC(c3nc4ccccc4o3)CC2)n2nccc2n1 72458282 SQJZRUAGGMKOCD-UHFFFAOYSA-N 333.395 3.563 0 50 EHAA Cc1ccc(-c2nsc(NC(=O)COc3ccccc3C)n2)s1 32593436 BNYDTMZUVRSUOY-UHFFFAOYSA-N 345.449 3.901 0 50 EHAA CCCn1ccnc1-c1nccn1C1CCN(Cc2ccco2)CC1 77298503 WLBAQAMHCCMVTM-UHFFFAOYSA-N 339.443 3.587 0 50 EHAA CCCc1ncc(CNC(=O)Cc2csc(-c3ccccc3)n2)o1 456509855 UMNSLEBZUDXDNY-UHFFFAOYSA-N 341.436 3.610 0 50 EHAA O[C@@H]1c2ccc(-c3cc(F)c(F)c(F)c3)cc2OC[C@H]1N1CCCC1 426412990 PKMIODPJTCZUJA-VQIMIIECSA-N 349.352 3.661 0 50 EHAA CCSc1ncc(-c2nccn2[C@H]2COc3ccccc3C2)cn1 82115753 RGXUFCDVEUPGDY-OAHLLOKOSA-N 338.436 3.628 0 50 EHAA CN(Cc1ccsc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 47581122 DODVGVXOKZYIAH-KRWDZBQOSA-N 346.452 3.970 0 50 EHAA CC[C@@H](NC(=O)N(CCO)Cc1ccccc1C)c1cccs1 426669179 XBDLMQPRHIOEFY-MRXNPFEDSA-N 332.469 3.712 0 50 EHAA CNC(=O)c1ccc(-c2ccc(OC)cc2-n2nc(C)cc2C)cc1 96164895 WCIKNGIFBVYHKF-UHFFFAOYSA-N 335.407 3.524 0 50 EHAA CC(C)(C)OC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1 97743325 VTEHEKRHTCKDFA-UHFFFAOYSA-N 328.453 3.548 0 50 EHAA C[C@H]1CCC[C@@H](OCc2nnc(-c3nnc(-c4ccccc4)o3)o2)C1 1328405580 ZJMHVIXPTZNASZ-GXTWGEPZSA-N 340.383 3.882 0 50 EHAA Cc1ncsc1CCC(=O)Nc1ccccc1Cn1ccnc1C 828075274 RSFCFWIUWAZUNB-UHFFFAOYSA-N 340.452 3.576 0 50 EHAA CN(Cc1ccc(F)cc1)C[C@@H](O)COc1cccc2ccccc12 301313548 FAYZTWPIQRBHQU-LJQANCHMSA-N 339.410 3.851 0 50 EHAA CC(=O)CCC(=O)N1CCCN(Cc2ccccc2)c2ccccc21 192930888 SPOLVOJYHJYBHY-UHFFFAOYSA-N 336.435 3.799 0 50 EHAA Cc1nc2ccccc2nc1CS[C@@H](C)C(=O)N1CCCCC1 194092735 UIMICPGSNFYFOL-AWEZNQCLSA-N 329.469 3.572 0 50 EHAA COc1cc(OC)cc(C(=O)Nc2ccccc2Br)c1 433729 NDOFKCQHDRFYKW-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA COc1ccc2c(c1)C1=NN(C(C)=O)[C@H](c3ccccc3F)[C@@H]1CC2 5008701 ZFVGILBJTINEQN-OXQOHEQNSA-N 338.382 3.704 0 50 EHAA COc1cc(CN2CCCCC[C@H]2c2cc(C)no2)cc(OC)c1O 12120293 QPFIDUMVAKPNHA-HNNXBMFYSA-N 346.427 3.823 0 50 EHAA O=C(c1cc(F)ccc1F)[C@@H]1CCCN(C2CCSCC2)C1 12300168 OEAXJKOGBOSWQW-GFCCVEGCSA-N 325.424 3.755 0 50 EHAA CCNC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 12464832 CQSJVNXSIBVIES-INIZCTEOSA-N 336.435 3.563 0 50 EHAA CCCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]c1=O 12653496 PSMDPKFPHFNPKV-UHFFFAOYSA-N 337.427 3.643 0 50 EHAA CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(c2ccccc2)CC1 13331613 CUUAFEKRWDDLKU-LJQANCHMSA-N 338.451 3.501 0 50 EHAA CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(N)=O)cc1 13331758 OBRPJHCKDJTSQI-MRXNPFEDSA-N 346.814 3.543 0 50 EHAA COc1ccc(NC2CCN(CCc3ccccc3)CC2)cc1OC 16666975 BPGSKQWKWPUILD-UHFFFAOYSA-N 340.467 3.823 0 50 EHAA COCCOCc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1F 151252627 KBVYKOUDSRCGRA-AWEZNQCLSA-N 343.398 3.580 0 50 EHAA Cc1cccc2c(O)nc(C(Cl)=Cc3cc4n(n3)CCCC4)nc12 1857530250 GLEQJXCEMPQUTN-UHFFFAOYSA-N 340.814 3.914 0 50 EHAA CCCCc1nnc(NC(=O)N[C@@H](C)c2csc(CC)n2)s1 111708567 SMAVDVZYMZVOCM-VIFPVBQESA-N 339.490 3.782 0 50 EHAA C[C@H](CC(=O)N1CC[C@](C)(C(=O)O)C1)c1ccccc1C(F)(F)F 237543590 ZZZMIGYLJPDDQB-BZNIZROVSA-N 343.345 3.522 0 50 EHAA Cc1ccc(F)c2oc(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc12 931772594 MDOUHAWREBCHLM-GFCCVEGCSA-N 327.359 3.623 0 50 EHAA O=C(Cc1ccsc1)Nc1ccc2nc(-c3cccnc3)[nH]c2c1 1875342877 LILWSJGYUQRQOC-UHFFFAOYSA-N 334.404 3.868 0 50 EHAA CC[C@@H](NC(=O)c1cc(Br)cs1)[C@H]1CCCCO1 654290688 USQCOZWRECMBEP-GHMZBOCLSA-N 332.263 3.588 0 50 EHAA O=c1cc(-c2ccccc2)cnn1Cc1ccccc1OC(F)(F)F 2325821405 MHSRIBVERJCTIX-UHFFFAOYSA-N 346.308 3.857 0 50 EHAA Fc1cc(Cl)cc2c(N3CCN(c4cccnc4)CC3)ccnc12 2325855491 CNTXKYWXAJMAID-UHFFFAOYSA-N 342.805 3.749 0 50 EHAA CO[C@]1(C)C[C@@H](OC(=O)c2cnn(-c3ccccc3F)c2C)C1(C)C 2325868547 AQLVUJKTLSCIAP-VQIMIIECSA-N 346.402 3.680 0 50 EHAA Cc1ccc(OCc2nnc(NC(=O)Cc3ccccc3)s2)cc1 447970 AUZVASLHNZYWNI-UHFFFAOYSA-N 339.420 3.607 0 50 EHAA CC[C@H](OC(=O)c1ccc(C)c(NC(C)=O)c1)C(=O)c1ccccc1 461952 GKRRSSYAMPBDPR-SFHVURJKSA-N 339.391 3.772 0 50 EHAA C[C@@H]1CCc2nc(NC(=O)Nc3ccc4c(c3)OCO4)sc2C1 611152 NFPLJFAVVSCNTN-SECBINFHSA-N 331.397 3.641 0 50 EHAA aggregator COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NCC2 759182 VYKKDZBZOUVGED-UHFFFAOYSA-N 346.224 3.860 0 50 EHAA O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(Cl)c1Cl 1124947 ARRZRFKXHCZNQF-UHFFFAOYSA-N 337.162 3.540 0 50 EHAA O[C@]1(c2ccccc2)C[N+]2=C(CCCCC2)N1c1ccc(Cl)cc1 6618397 MELDCHYPEUNVCK-FQEVSTJZSA-N 341.862 3.990 0 50 EHAA Cc1cccn2c(=O)cc(CN3CC[C@H]3c3ccc(Cl)cc3)nc12 225438195 RPXJKQRGROYXTK-KRWDZBQOSA-N 339.826 3.603 0 50 EHAA Cc1cc(CN2CCc3[nH]nc(Cc4cccs4)c3C2)oc1C 20908728 QZGAKWSYPHSPPC-UHFFFAOYSA-N 327.453 3.830 0 50 EHAA CC/C=C/CC(=O)NCc1cccnc1N1CCc2ccccc2C1 67965216 VTRIJOZSWXCJPC-ONEGZZNKSA-N 335.451 3.617 0 50 EHAA COc1cccc2c1nc(-c1ccc(Oc3cnccn3)cc1)n2C 471439263 GQCMIZYQNRQMTB-UHFFFAOYSA-N 332.363 3.831 0 50 EHAA Cc1noc(C)c1CN(C)C(=O)Nc1cc(Cl)cc2c1OCC2 120503279 VGXORGBBEKDUDW-UHFFFAOYSA-N 335.791 3.544 0 50 EHAA Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)NC1CCCCCC1 2793737 NIAMTVKZVLWJKQ-NSHDSACASA-N 331.382 3.685 0 50 EHAA Cc1cc(N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)n2nccc2n1 72477840 NAYJMZIIKPDWHV-HNNXBMFYSA-N 346.438 3.606 0 50 EHAA CCN(Cc1cnc(-c2ccco2)nc1)Cc1cnn(C(C)C)c1 215365365 WQMBZRBFGCJQBB-UHFFFAOYSA-N 325.416 3.536 0 50 EHAA Cc1nc(S(=O)(=O)N2CCC[C@H]2/C=C/c2ccccc2)sc1C 329472628 AJEZKUXIJHEOJF-OFAQMXQXSA-N 348.493 3.626 0 50 EHAA CC(C)c1ncc(-c2nccn2CCCc2nc3ccccc3[nH]2)cn1 77303607 CFHCVYFFCZZSND-UHFFFAOYSA-N 346.438 3.973 0 50 EHAA CCCc1occc1C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 376207156 NIEWNFQBOSGIKQ-QYZOEREBSA-N 339.435 3.877 0 50 EHAA Cc1ccc2c(c1)N(C(=O)N[C@@H]1CCOC3(CCCCC3)C1)CC2 157430421 MBAMABICHWOQJM-QGZVFWFLSA-N 328.456 3.949 0 50 EHAA C[C@@]1(O)CCN(c2nc(-c3ccccc3)no2)C[C@@H]1Cc1ccccc1 71759128 KZIAFVZOHPWZQN-GHTZIAJQSA-N 349.434 3.557 0 50 EHAA C[C@@H]1C[C@@H](N)CCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 237494677 VMGGYTPTGPIHIK-ABAIWWIYSA-N 348.368 3.723 0 50 EHAA C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)Cc1c[nH]c2ncccc12 374259544 SNYBIIASNISASW-NVXWUHKLSA-N 333.435 3.900 0 50 EHAA CN(C(=O)c1cccc(-c2ncc[nH]2)c1)[C@@H](c1ccccn1)C1CC1 216527445 ANGMOLYBMBMQSX-GOSISDBHSA-N 332.407 3.695 0 50 EHAA CC[C@H]1CN(Cc2cccs2)CCC(=O)N1Cc1ccccc1 71752103 KUGMJJSTCGCYKW-KRWDZBQOSA-N 328.481 3.761 0 50 EHAA CCNC(=O)c1ccc(C)c(NC(=O)Nc2ccc(COC)cc2)c1 241795523 RZWGYUMWKLOMIZ-UHFFFAOYSA-N 341.411 3.535 0 50 EHAA CC(=O)c1cn(CCC(=O)NC2Cc3ccccc3C2)c2ccccc12 44893686 TYZPRJGTNMBBKH-UHFFFAOYSA-N 346.430 3.518 0 50 EHAA Cc1ccc(-c2ccc(CCC(=O)N(C)CCn3ccnc3)o2)cc1 223579340 STOROIBELIWQIU-UHFFFAOYSA-N 337.423 3.543 0 50 EHAA O=C(CCCc1ccc(F)cc1)NC[C@H]1CCN(C2CCCC2)C1 223371731 OXFCRAUZUPLWLA-QGZVFWFLSA-N 332.463 3.529 0 50 EHAA CC[C@H](C)Oc1ccccc1NC(=O)NCc1cnc(SC)n1C 426502821 BNTMBRBOWKAXQL-LBPRGKRZSA-N 348.472 3.641 0 50 EHAA CCOc1ccc(NC(=O)[C@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)cc1 239309209 HHQKVUFHCXBCFJ-UOVPBQLFSA-N 343.423 3.717 0 50 EHAA CO[C@H]1C[C@@H]2OC[C@@]23C(=CC[C@@H]2[C@H]4CC[C@@H](O)[C@@]4(C)CC[C@H]23)C1(C)C 253589873 NXOIYSNONWVRLS-WLDWWXSISA-N 346.511 3.950 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 257356310 HHUZGDMRRLQZIQ-METZODBSSA-N 334.500 3.566 0 50 EHAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)Nc1ccc2scnc2c1 299785500 SLWLRKRDCXUJFU-UHFFFAOYSA-N 327.413 3.561 0 50 EHAA O=C(CCCN1CCCCCC1)NCc1ccc2ccccc2n1 299771449 XIVAKCWKBYPNBG-UHFFFAOYSA-N 325.456 3.507 0 50 EHAA CCCn1nc(Cc2cccnc2)nc1CCc1ccc(F)c(F)c1 823032949 ADBXEHFJOYMJPW-UHFFFAOYSA-N 342.393 3.737 0 50 EHAA O=C(c1cc(COc2ccc(F)cc2F)on1)N1C[C@H]2CCC[C@@H]1C2 59423358 ZXIKUQAOAFEQPJ-WCQYABFASA-N 348.349 3.546 0 50 EHAA COc1ccc(-c2ccc(C(=O)N(C)Cc3cc(C)on3)o2)cc1 952983855 SAIKJOLGXFGMSX-UHFFFAOYSA-N 326.352 3.524 0 50 EHAA Cc1noc(-c2ccccc2)c1NC(=O)[C@H]1COc2ccccc2C1 186730366 HYZVZGBIIQQBMN-MRXNPFEDSA-N 334.375 3.840 0 50 EHAA C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cc(F)c(O)c(Cl)c2)C1 192481383 INYRTSFDJDOTSR-MEBBXXQBSA-N 334.778 3.803 0 50 EHAA Cc1ccc(CNc2ccc(CCS(C)(=O)=O)cc2)cc1Cl 195448223 YTPSOGIZFSWNOO-UHFFFAOYSA-N 337.872 3.848 0 50 EHAA O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(Cl)sc1Cl 219665898 JZLZCUCWLIADGN-JTQLQIEISA-N 330.192 3.611 0 50 EHAA CC(C)n1cc(CN2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cn1 1529199157 WYUQQDBQRZAUDZ-VQTJNVASSA-N 325.456 3.816 0 50 EHAA COc1cc(/C=C/C(=O)Nc2cccc(F)c2)cc(OC)c1OC 860324 SCKKITPUSARNOZ-BQYQJAHWSA-N 331.343 3.503 0 50 EHAA CSCc1nnc2sc(Cc3ccc4c(c3)CCCC4)nn12 1776110975 DEJUIWWLLCMIFM-UHFFFAOYSA-N 330.482 3.518 0 50 EHAA C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 12846187 IZADOQCJNQXIRT-HFAKWTLXSA-N 338.810 3.762 0 50 EHAA O=C(c1c(F)cccc1Cl)N1CCN(c2ccccc2F)CC1 13327913 IQKJELHHEFBMJD-UHFFFAOYSA-N 336.769 3.581 0 50 EHAA COC(=O)CCCC(=O)N1CCC[C@@H](CCc2ccccc2C)C1 14970869 TXWSEOGXXWSFMM-KRWDZBQOSA-N 331.456 3.510 0 50 EHAA CC(C)c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 19929051 GWQPCKYDRCLZGF-UHFFFAOYSA-N 338.451 3.895 0 50 EHAA C[C@]1(CCNC(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)C[C@@]1(F)Cl 852397118 VFCVNIWZISDZJL-OTRWWLKZSA-N 346.874 3.682 0 50 EHAA Cc1cccc(C[C@]2(C)CCCN2C(=O)c2ccnc3[nH]c(C)nc23)c1 871082462 QWNMKSJRUVQZJD-NRFANRHFSA-N 348.450 3.812 0 50 EHAA CCC1(C)CN(C(=O)[C@H]2[C@H]3CC[C@@]2(c2ccnn2C2CCC2)C3)C1 1875396212 YYCKJOCBGDXESJ-NQYLQCIDSA-N 327.472 3.534 0 50 EHAA CCN(CCCO)c1nc(-c2cccc(OC)c2)nc2ccccc12 1306982968 VARNNCKDRYVKRH-UHFFFAOYSA-N 337.423 3.514 0 50 EHAA CNC(=O)c1ccc(NC(=O)NCC[C@@H]2CCCC[C@@H]2C)c(C)c1 1318617726 YBNKCBKCQOUJKN-ZFWWWQNUSA-N 331.460 3.693 0 50 EHAA CC(=O)N1CCC(Nc2cc(NC(=O)OC(C)(C)C)ccc2C)CC1 389896877 MTLPOQZWORKUJL-UHFFFAOYSA-N 347.459 3.765 0 50 EHAA COC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc(C)c1C 35187 FJDRBBVFSFPIKS-KBPBESRZSA-N 329.421 3.894 0 50 EHAA COc1cc(-c2ccccc2C(=O)N(C(C)C)C(C)C)c(=N)[nH]c1C 2100483696 LRQGWLDBQZMDRO-UHFFFAOYSA-N 341.455 3.737 0 50 EHAA Cc1ccc2cc(C(=O)N3Cc4ccccc4[C@@H](N)C3)c(C)nc2c1 2325859309 UUGXNDLOBOXWHZ-IBGZPJMESA-N 331.419 3.507 0 50 EHAA COc1cccc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 455174 MGSYLJSMZJAYHN-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 527715 BOMSQFAAAZIQHP-NSHDSACASA-N 325.286 3.991 0 50 EHAA CCc1ccc(OCCCC(=O)Nc2ccccc2C(=O)OC)cc1 1773435 IQCOPLOBJSDXSI-UHFFFAOYSA-N 341.407 3.833 0 50 EHAA CCN(CC)CCN1C(=O)c2ccccc2N[C@H]1c1ccc(C)cc1 2221665 VIIAGDWVLDNOPX-HXUWFJFHSA-N 337.467 3.903 0 50 EHAA CCc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1 3908218 UKELJPUGEVAOJX-UHFFFAOYSA-N 336.347 3.885 0 50 EHAA COc1ccccc1N1CCN(C(=O)Nc2cc(C)cc(C)c2)CC1 6714856 DVIDJFNWXLMWSZ-UHFFFAOYSA-N 339.439 3.666 0 50 EHAA COc1ccc(CCC(=O)Nc2nc(-c3ccccn3)cs2)cc1 6830910 RSPXFAMNUXLBFT-UHFFFAOYSA-N 339.420 3.785 0 50 EHAA Cc1cc(C2CCC2)nc(NCCC2=CSC3=NCCCN23)n1 102691895 KHCHJCRFSFJSMB-UHFFFAOYSA-N 329.473 3.504 0 50 EHAA COc1cccc(CNc2nnc(-c3cccc(OC(F)F)c3)o2)c1 225431618 CQXHRDWBJHLSQZ-UHFFFAOYSA-N 347.321 3.959 0 50 EHAA CN(Cc1cccc(F)c1F)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 225408248 HOEUYZJCWZAZDE-HNNXBMFYSA-N 340.414 3.700 0 50 EHAA CCCNC(=O)c1ccc(NCc2ccccc2OC(C)C)nc1 112553294 OMKCTQZBFUXZDO-UHFFFAOYSA-N 327.428 3.621 0 50 EHAA CCN(CC)c1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cn1 115335094 YTTJRLHVRRHFBW-SFHVURJKSA-N 339.439 3.570 0 50 EHAA CC(=O)c1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)cc1 55031521 PXZPMTYACBKMNL-UHFFFAOYSA-N 328.843 3.865 0 50 EHAA Cc1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccc(F)c(C)c2)C3)cn1 102096028 XKRRRGFQHWPPGI-VBUUOAMHSA-N 339.414 3.783 0 50 EHAA Cc1n[nH]c2c1[C@@H](c1ccccc1C(F)(F)F)SCC(=O)N2 20898781 DOVHYFNZOOLXNS-GFCCVEGCSA-N 327.331 3.512 0 50 EHAA CSCC[C@@H](C(=O)Nc1n[nH]c(C2CCCCC2)n1)n1cccc1 409413176 FIWMHTCSQDIGSN-AWEZNQCLSA-N 347.488 3.587 0 50 EHAA C[C@@H](O)CN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 67975170 BGXSBGCOUIWDDF-MRXNPFEDSA-N 348.446 3.594 0 50 EHAA CC(C)=CC(=O)NC[C@@H]1CCN(Cc2[nH]c3ccc(C)cc3c2C)C1 67818991 RHVFJKYWCFHOIB-KRWDZBQOSA-N 339.483 3.689 0 50 EHAA CC(C)(C)c1cccc(OC(=O)C2CCN(c3cnccn3)CC2)c1 121380264 QUQNIVYUVXSHRZ-UHFFFAOYSA-N 339.439 3.596 0 50 EHAA Cc1ccc(CN(C)C(=O)Nc2nc(-c3ccccc3)ns2)o1 32580970 YELMIFAOIYSDRG-UHFFFAOYSA-N 328.397 3.770 0 50 EHAA CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cccc2oc(C)nc12 281300437 ARMOGQBLABGBGL-HNNXBMFYSA-N 338.411 3.720 0 50 EHAA Cc1ccc(S(=O)(=O)N2c3ccccc3OC[C@@H]2C(C)(C)C)cc1 1389075 UZWMAQFSIQJRBM-GOSISDBHSA-N 345.464 3.997 0 50 EHAA CCn1cc(NC(=O)c2ccccc2C)c(C(=O)Nc2ccccc2)n1 2796511 MGJOWIOJTDXGQR-UHFFFAOYSA-N 348.406 3.716 0 50 EHAA CC(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1ccc(F)cc1Cl 253429487 CXEAXZXQUKGAKO-KRWDZBQOSA-N 332.762 3.882 0 50 EHAA COc1ccc(/C=C/CN(Cc2ccccn2)C[C@H]2CCCO2)cc1 215874414 PQTKIJYJLMFTEQ-KOXUSJRISA-N 338.451 3.785 0 50 EHAA COc1ccc(CNC(=O)[C@H](C)N2CCC[C@H]2c2cccs2)cc1 241126106 JJOBIIVVFDDVKW-YOEHRIQHSA-N 344.480 3.599 0 50 EHAA Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(N2CCCCCC2)nc1 241231056 KROVDLSPBOFOMV-UHFFFAOYSA-N 349.438 3.899 0 50 EHAA C[C@H]1CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)CCC1(F)F 290792071 DBHGOIWRBMPZAL-NSHDSACASA-N 338.329 3.527 0 50 EHAA Cc1ccc(CN2CCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 20367178 DNWPBRQVWFMMSM-UHFFFAOYSA-N 349.478 3.833 0 50 EHAA Cc1c(O)nc(SCc2n[nH]c(C(C)C)n2)nc1-c1ccccc1 291546258 AFRLNAVJHKSWEB-UHFFFAOYSA-N 341.440 3.691 0 50 EHAA Cc1noc(C)c1[C@H]1CCCN1Cc1cnn(-c2ccccc2F)c1 97076358 MZQXQCDRWYYIRA-GOSISDBHSA-N 340.402 3.953 0 50 EHAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)NC(C)(C)C)cc1C 91547554 HLQAKWYRQVGKHF-KRWDZBQOSA-N 340.471 3.964 0 50 EHAA COc1cc2nc(-c3cccc4nc(C)ccc34)nc(N)c2cc1OC 97813700 QBHPHXXNWKVKBY-UHFFFAOYSA-N 346.390 3.753 0 50 EHAA CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC(=O)[C@H]32)C1 253612163 BDDNDFYQROQZDO-DUGHCTHTSA-N 344.451 3.629 0 50 EHAA Cc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1cccc(Cl)c1 261490606 NSUDZEZBFVTLJM-UHFFFAOYSA-N 330.750 3.621 0 50 EHAA O=C(Nc1cccc(-c2cnco2)c1)N[C@@H]1COC2(CCCCC2)C1 299771541 TVRNMJNOKHSXIY-INIZCTEOSA-N 341.411 3.955 0 50 EHAA CCn1nc(Cc2cccc(Cl)c2)nc1-c1ccn(C(F)F)n1 823600509 RFSDKBDWYGDNGJ-UHFFFAOYSA-N 337.761 3.801 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)c2cccc(NC(=O)C(C)C)c2)on1 952986014 CQTRNBYDLUUNNE-MRXNPFEDSA-N 341.411 3.555 0 50 EHAA COc1ccc(CNC[C@H]2CCO[C@@H]2C(C)C)c(Cl)c1OC 275251016 GTNFHJKBBKTFKS-CZUORRHYSA-N 327.852 3.508 0 50 EHAA CC[C@H](C(=O)O)N1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 191435203 LSMJDGOGHDPHBI-GOEBONIOSA-N 329.444 3.660 0 50 EHAA COc1ccc2c(c1)[C@H](N[C@@H](C)C[C@@H](O)c1ccco1)CCS2 191527103 DUMWDXLEKLVEEM-APHBMKBZSA-N 333.453 3.927 0 50 EHAA CCc1c(NC(=O)Cc2ccncc2C)cnn1-c1cccc(C)c1 192149389 MMSRLGXNFIQKTL-UHFFFAOYSA-N 334.423 3.628 0 50 EHAA CC1=CC2(CCN(C(=O)C[C@H]3CCc4ccccc43)CC2)OCC1 1704302892 DYGHYPBSXFUFFZ-GOSISDBHSA-N 325.452 3.834 0 50 EHAA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccco1 450702 MMXHTZAHJQWOJA-MDZDMXLPSA-N 344.374 3.974 0 50 EHAA CCC12CN3CC(CC)(CN(C1)C3c1ccc(C(C)C)cc1)C2=O 19323273 RTPZYHQOLXMFMU-UHFFFAOYSA-N 326.484 3.815 0 50 EHAA biogenic O=C(Nc1nccs1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 4529871 DRNDZRQACHEQRQ-DTQAZKPQSA-N 349.415 3.553 0 50 EHAA CN1CCC[C@@H](n2ccnc2-c2ccc(OCc3ccccn3)cc2)C1 1857686317 QJAMHUSSALQPCO-LJQANCHMSA-N 348.450 3.791 0 50 EHAA Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](c1ccccc1)c1nc[nH]n1 935271813 PMHHLUOLCGRUCQ-INIZCTEOSA-N 338.411 3.523 0 50 EHAA CC(C)(C)c1ccc2[nH]c(C(=O)Nc3ncc(CCO)s3)cc2c1 936009275 ULMPXJUPWQZUKR-UHFFFAOYSA-N 343.452 3.709 0 50 EHAA C[C@@H](c1ccccc1Cl)N1CCC[C@H](NC(=O)c2cccnc2)C1 1875302870 KQQDUORGLUGVDT-HOCLYGCPSA-N 343.858 3.690 0 50 EHAA O=C(Nc1ncc(C[C@@H]2CCOC2)s1)c1coc2c(F)cccc12 1875308505 JGLBUWVAELLMNG-JTQLQIEISA-N 346.383 3.860 0 50 EHAA OC[C@H]1CN(c2cc(C3CCCCC3)ncn2)CC[C@@H]1C(F)(F)F 1775989554 PCMWOULDUWDQEM-KGLIPLIRSA-N 343.393 3.521 0 50 EHAA CN(CCC(C)(C)C)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 1469405275 KIDTYLMHPDAXRD-UHFFFAOYSA-N 348.531 3.604 0 50 EHAA Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)cc1 181503 OXGDVCXYTOOYNW-UHFFFAOYSA-N 331.725 3.811 0 50 EHAA NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 390110 IFGJBVKYFQWSOH-UHFFFAOYSA-N 347.490 3.561 0 50 EHAA CC(=O)Oc1c(-c2ccc(Br)o2)oc2ccccc2c1=O 1978539 RHNUCGQBBOJPOY-UHFFFAOYSA-N 349.136 3.741 0 50 EHAA O=C(c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 4054397 XQBMUVMKKXUNKA-UHFFFAOYSA-N 335.234 3.956 0 50 EHAA CCn1cc([C@H]2CC(=O)N(c3cccc(OC)c3)C2=O)c2ccccc21 100767991 CEWCQDFZKNQARK-QGZVFWFLSA-N 348.402 3.717 0 50 EHAA biogenic CCCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1 8714638 PSBUDWPVXKYTDH-UHFFFAOYSA-N 340.832 3.633 0 50 EHAA C[C@H]1CN(Cc2ccc(OCC(F)F)cc2)c2ccccc2NC1=O 225416356 HQBWXUQLYQGMBM-ZDUSSCGKSA-N 346.377 3.925 0 50 EHAA CCOc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)C)c1 9231735 IWMREJMJMDYDOH-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA COc1ccc(S[C@H]2CC(=O)N(c3ccccc3Cl)C2=O)cc1 100123006 KGEZDTONSJRGFB-HNNXBMFYSA-N 347.823 3.773 0 50 EHAA COC[C@H]1CCCN(C(=O)c2c(-n3cccc3)sc3c2CCC3)C1 134683451 KHZPOKYHIJBYKS-AWEZNQCLSA-N 344.480 3.526 0 50 EHAA COC(=O)c1ccc2[nH]c(-c3ccc(-n4cccn4)cc3C)nc2c1 67723076 IAFRATMMQZXTQK-UHFFFAOYSA-N 332.363 3.511 0 50 EHAA C[C@@H](NC(=O)c1c[nH]nc1[C@H]1CCCNC1)c1cccc2ccccc12 422934114 FIQUKRJGGVUXEV-ZBFHGGJFSA-N 348.450 3.521 0 50 EHAA O=C(O)c1cn(-c2cccc(CN3CCCC3)c2)nc1-c1ccccc1 67725286 IQPHGAGSGDUKKG-UHFFFAOYSA-N 347.418 3.833 0 50 EHAA Cc1ccc([C@@H]2COCCN2C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 229813977 DXWAOUDEYFORSB-MCIONIFRSA-N 345.361 3.857 0 50 EHAA O=C(Nc1cccc(-c2nccs2)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 230129791 QWYICUPIUDZBJF-XHSDSOJGSA-N 343.452 3.889 0 50 EHAA CC(C)C[C@H]1CCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 67895084 ZPKZMAHNRZQIFA-CQSZACIVSA-N 345.418 3.636 0 50 EHAA CCN1CC[C@H](N(C)C(=O)Nc2ccc(Cl)cc2F)C[C@H]1C 252671053 MNPAUIWVVPKAOQ-YPMHNXCESA-N 327.831 3.816 0 50 EHAA c1cnn(CC[C@H]2CCCCN2Cc2ccc(-n3ccnc3)cc2)c1 77420146 JTGGINWIMFCGGS-LJQANCHMSA-N 335.455 3.514 0 50 EHAA O=C([C@H]1CC(Cc2ccccc2)=NO1)N1CCC[C@@H](c2ccccc2)C1 12217831 RYRVGSJWCZRSTE-TZIWHRDSSA-N 348.446 3.780 0 50 EHAA COC[C@@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)C1CC1 152047797 KOWZWDOYXUKUNM-GOSISDBHSA-N 336.391 3.650 0 50 EHAA O=C(N1CCC[C@@H](c2ncc[nH]2)C1)C1(c2ccc(Cl)cc2)CCC1 75552350 PSSYIMDACIOLIT-CQSZACIVSA-N 343.858 3.891 0 50 EHAA O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)Cc2cccs2)C1 77354622 FYXHVVLZLLSRBV-KRWDZBQOSA-N 341.476 3.731 0 50 EHAA Cc1cccc([C@@H](C)NC(=O)N2CCO[C@@H](c3ccco3)C2)c1C 129097559 TVDDCHFDOURUNU-CRAIPNDOSA-N 328.412 3.741 0 50 EHAA CC(C)n1cnnc1CN(C)Cc1ccc([C@H]2CCCCO2)s1 77422943 PSPFNOGODXUHLL-OAHLLOKOSA-N 334.489 3.794 0 50 EHAA CCSc1ncc(-c2nccn2Cc2cc(C(C)C)no2)cn1 71764757 BYCLWKSIFZYWGH-UHFFFAOYSA-N 329.429 3.612 0 50 EHAA CN1CC[C@@H]2CCN(C(=O)Nc3cc(Cl)ccc3Cl)[C@H]2C1 239667697 BRMDUIIHVCEWOR-YGRLFVJLSA-N 328.243 3.551 0 50 EHAA O=C(O)c1ccccc1[C@H]1CCN(Cc2ccccc2-n2cccn2)C1 72164989 DZCKYWXAKGEEOX-INIZCTEOSA-N 347.418 3.560 0 50 EHAA C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1 91713404 YLDDFAVQXBMCBG-OAQYLSRUSA-N 346.434 3.666 0 50 EHAA O=C(c1ccncc1F)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 179002202 TZCIQMYXYMGAET-QFBILLFUSA-N 342.414 3.729 0 50 EHAA Cc1nc([C@H](C)N(C)C(=O)COc2cccc(C)c2C)c(C)s1 91943835 JOBZZEFOVPFBTO-ZDUSSCGKSA-N 332.469 3.975 0 50 EHAA Cc1ccccc1-c1cccc(NC(=O)NCCCC(=O)N(C)C)c1 96131922 WLKKKUKFEGTFSG-UHFFFAOYSA-N 339.439 3.652 0 50 EHAA C[C@@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1nc2ccccc2n1C(F)F 295151343 JQJQZOLOTVRLET-MROQNXINSA-N 331.366 3.821 0 50 EHAA CCCc1nc2cccnc2n1C1CCN([C@H]2CCSC2)CC1 299793220 HGXWDVHQEGCAIV-HNNXBMFYSA-N 330.501 3.526 0 50 EHAA CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cscn1 164173583 CBNQIEYDPHOVLU-ZDUSSCGKSA-N 345.468 3.639 0 50 EHAA Cc1ccncc1[C@@H](C)NCC1CCN(Cc2nc(C)c(C)o2)CC1 271374081 HCEDMEKOWHFOBX-MRXNPFEDSA-N 342.487 3.558 0 50 EHAA O=C(NCc1cccnc1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 275143342 QNQFKUARBNZYOI-AQNXPRMDSA-N 335.451 3.949 0 50 EHAA CCc1cccnc1C(=O)N1CCCc2c(NC(C)=O)ccc(C)c21 275905219 VBXOSAPTIXBQOU-UHFFFAOYSA-N 337.423 3.504 0 50 EHAA COc1cccc([C@H](C)N[C@@H](C)C(=O)N[C@@H]2CCc3ccccc32)c1 170073640 ITGYEGBVCFBUDO-AUSJPIAWSA-N 338.451 3.538 0 50 EHAA O=C(CSc1ccccc1Cl)Nc1ccc2c(c1)C[C@@H](O)C2 170618091 PWPSLFXLYVOSLO-AWEZNQCLSA-N 333.840 3.530 0 50 EHAA CCOc1cc(NC(C)=O)c(Br)cc1Br 188573039 KIZRDFRCMUXGFZ-UHFFFAOYSA-N 337.011 3.569 0 50 EHAA C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1cccc(F)c1O 1772703645 MWSKYHZZULBBCL-LBPRGKRZSA-N 339.370 3.755 0 50 EHAA CCc1c(C)sc(NC(=O)CCc2ccccc2)c1C(=O)OC 5005698 QNZDRXRCHUJQBM-UHFFFAOYSA-N 331.437 3.977 0 50 EHAA CC(C)OC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 5002940 OSMMTMKDUSZPCL-GMNCBBECSA-N 336.387 3.546 0 50 EHAA biogenic Oc1nc2nnc(Nc3ccccc3)n2c2sc3c(c12)CCCC3 5687897 CXLAIYOHPBGPBY-UHFFFAOYSA-N 337.408 3.667 0 50 EHAA CCOc1ccccc1C(=O)Nc1cccc(C(=O)N[C@@H](C)CC)c1 12138511 DNADRCYTZGFROC-AWEZNQCLSA-N 340.423 3.866 0 50 EHAA COc1ccc(OC)c([C@H](C)NC(=O)c2c(F)cccc2Cl)c1 12383668 TXBZQJBOCGTDIM-JTQLQIEISA-N 337.778 3.987 0 50 EHAA CC(C)Cc1noc(CNc2cc(N3CCCC3=O)ccc2Cl)n1 111189898 VZXJIZVHQMFKLK-UHFFFAOYSA-N 348.834 3.660 0 50 EHAA C[C@H](Cc1nc(-c2ccc(Oc3ccccc3)nc2)no1)n1cccn1 904447248 MWLFXDYORXIVLN-CQSZACIVSA-N 347.378 3.924 0 50 EHAA Clc1ccc2nc([C@H]3CCCCN3Cc3nncs3)[nH]c2c1 930685645 GNKYYVYAMPZPLO-CYBMUJFWSA-N 333.848 3.795 0 50 EHAA C[C@@H](c1ccc(C(F)(F)F)cc1)[S@@](=O)Cc1ccn(CCF)n1 1875279290 MLPNCEDGZLCZEH-RULNZOCKSA-N 348.365 3.881 0 50 EHAA COCCN(Cc1cn(C/C=C(/C)Cl)nn1)[C@H](C)c1ccccc1 2325761507 HEJGRKUCYBDJCF-QOBZYLRHSA-N 348.878 3.630 0 50 EHAA CC(C)(CO)NC(=O)CCc1c(-c2ccccc2)[nH]c2ccccc12 901218182 OBIUAZOBIHYIQC-UHFFFAOYSA-N 336.435 3.655 0 50 EHAA Cn1cncc1/C=C(\Cl)c1nc(O)c2c3c(sc2n1)CCCC3 901419468 BVQLEKKNDXUTML-WDZFZDKYSA-N 346.843 3.746 0 50 EHAA Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)c(C)c1 121576 HXKYYPHASJIAGW-UHFFFAOYSA-N 326.783 3.739 0 50 EHAA COc1cc(OC)cc(C(=O)Nc2nnc(C3CCCCC3)s2)c1 199432 UYMVTTSRSJTAOL-UHFFFAOYSA-N 347.440 3.855 0 50 EHAA Sc1nnc(-c2ccccc2Br)n1-c1ccccc1 477388 LRIACHLCWNKMDP-UHFFFAOYSA-N 332.226 3.986 0 50 EHAA CCc1cc(=O)oc2c(C)c(O[C@H](C(=O)O)c3ccccc3)ccc12 487403 IPGYKOREVNTCHE-IBGZPJMESA-N 338.359 3.869 0 50 EHAA biogenic Cc1cc(=O)oc(C)c1C(=O)OCc1c(Cl)cccc1Cl 618185 DZRACLRYMCZOEL-UHFFFAOYSA-N 327.163 3.920 0 50 EHAA CCc1cccc(NC(=O)[C@H](C)[C@H]2Sc3ccccc3NC2=O)c1 1060376 AUDRKKHNXZBMMX-SJKOYZFVSA-N 340.448 3.937 0 50 EHAA CCOC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 2774839 UVQSZHQDXPVLBG-ONGXEEELSA-N 345.346 3.782 0 50 EHAA O=S(=O)(c1ccc(Cl)cc1)C(F)(F)[C@H](F)C(F)(F)F 2976806 GLEPXTGCHQRPDD-SSDOTTSWSA-N 326.645 3.607 0 50 EHAA COc1ccccc1NC(=S)NCCCCn1c(C)ccc1C 3004572 FQDSMPVSMXPVDS-UHFFFAOYSA-N 331.485 3.880 0 50 EHAA Cc1ccc(CC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 4199756 IPVRNRJZESHFCU-UHFFFAOYSA-N 328.437 3.788 0 50 EHAA CC(=O)c1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 6376767 OXRCJNIVKDRIFN-LJQANCHMSA-N 339.391 3.699 0 50 EHAA O=c1c2c([nH]c3c(-c4ccccc4)c(Cc4ccccc4)nn13)CCC2 6557634 SZZYIIZKNPWVET-UHFFFAOYSA-N 341.414 3.769 0 50 EHAA CC[C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 225759561 AGOJHLZNRXRQGA-DZFGPLHGSA-N 336.479 3.817 0 50 EHAA CCN(Cc1noc(CC(C)C)n1)Cc1c(C)nn(C(C)(C)C)c1C 55393038 RTPPKSQGGYYECP-UHFFFAOYSA-N 347.507 3.859 0 50 EHAA COc1ccccc1C[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1=O 100552677 YALDLHHGMLLPMK-AWEZNQCLSA-N 343.810 3.779 0 50 EHAA FC(F)Oc1ccccc1[C@H]1C=C(c2ccccc2)Nc2ncnn21 100716246 HBTLUEZXMQTZRV-OAHLLOKOSA-N 340.333 3.936 0 50 EHAA Cc1ncc(C)c(N2CCc3onc(-c4ccc(Cl)cc4)c3C2)n1 67561044 CYBWVJMLBQWPFA-UHFFFAOYSA-N 340.814 3.965 0 50 EHAA CC[C@@H](c1ccc(OC)cc1)N(CC)C(=O)C1(Cn2ccnc2)CC1 65383612 OQRXDCJFTRNVQS-SFHVURJKSA-N 341.455 3.672 0 50 EHAA CCOc1cc(C)c(S(=O)(=O)N(CC)Cc2ccccc2)cc1C 231424773 KYBFBBZQFSLMJD-UHFFFAOYSA-N 347.480 3.913 0 50 EHAA COc1ccc(NC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)cc1OCC(=N)O 328586605 KGYLHRHILVYXFP-CMPLNLGQSA-N 344.367 3.578 0 50 EHAA Cc1cc(Cl)ccc1N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 328595479 WEUUVGLMFVRKQP-INIZCTEOSA-N 326.783 3.542 0 50 EHAA C[C@H]1C[C@@H]1c1ccc(CNC[C@@H]2CCN(C)[C@H]2c2cccnc2)o1 328626247 DXRPXXYFPBCPHU-QQDKQVRDSA-N 325.456 3.581 0 50 EHAA CO[C@]1(C)CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 253432425 ZCJWAQMLVQEXAS-OAHLLOKOSA-N 333.325 3.876 0 50 EHAA Cc1ncc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(C)n1 71589691 LPXCUYAPOMMGER-QGZVFWFLSA-N 341.430 3.718 0 50 EHAA O=C(O)C1(Oc2ccccc2)CCN(CCCc2ccccc2)CC1 72420082 WWWKXAXYXHRRJE-UHFFFAOYSA-N 339.435 3.617 0 50 EHAA c1ccc2c(c1)C[C@H]1OC(CC3=N[C@@H]4c5ccccc5C[C@@H]4O3)=N[C@@H]21 12958155 BDHSVQLSNIGJNC-BTYSMDAFSA-N 330.387 3.566 0 50 EHAA COc1ccccc1-c1nc(CN(C)C[C@@H]2CCCOC2)cs1 158040285 XHEMWRXISZCPJC-AWEZNQCLSA-N 332.469 3.677 0 50 EHAA Cc1cc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)ccn1 77519147 AJOCTLPDCNMBKH-FQEVSTJZSA-N 327.472 3.542 0 50 EHAA CC(C)CNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72418673 TXVFWCJKPDSEFB-UHFFFAOYSA-N 344.890 3.867 0 50 EHAA CN1[C@H]2CC[C@H]1CN(C(=O)c1ccc(OC3CCC3)cc1Cl)CC2 241774154 RNMPIDRGRVCWSI-KBPBESRZSA-N 348.874 3.580 0 50 EHAA OCC1(C[C@@H]2CCCCO2)CCN(Cc2cc3ccccc3o2)CC1 14965016 GMAWPWGZTFDMRI-SFHVURJKSA-N 343.467 3.967 0 50 EHAA CC(C)c1nnc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)s1 283238308 BXTKYGPCUDIWFY-AWEZNQCLSA-N 343.452 3.539 0 50 EHAA Cc1nc2c(s1)[C@H](N(C)C(=O)c1cncc(Cl)c1C)CCC2 457559889 KXJUBBJISLIDSV-CQSZACIVSA-N 335.860 3.958 0 50 EHAA CC(C)c1nc(CN(C)C(=O)[C@@H]2Cc3ccccc3S2)cs1 95376846 JPWNHRHPYCEFOL-HNNXBMFYSA-N 332.494 3.942 0 50 EHAA COc1ccc(CN2C[C@@H](C(=O)O)[C@H](c3ccccc3)C2)cc1Cl 92021348 KMONYNZSWVZJND-JKSUJKDBSA-N 345.826 3.649 0 50 EHAA CCCc1cnc(NC(=O)c2ccccc2OC[C@H]2CCCO2)s1 180242216 QVSXJXWLCAYFDU-CYBMUJFWSA-N 346.452 3.906 0 50 EHAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1ccc2c(c1)CCC2 91426424 NJYBHUZKFLMLTN-QGZVFWFLSA-N 334.463 3.774 0 50 EHAA CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C3CC3)CC2)C1 92077557 JDMIWNRSBLYJLL-IBGZPJMESA-N 326.484 3.515 0 50 EHAA Cc1cc([C@H]2CCCCN2Cc2cncn2Cc2ccccc2)no1 244874761 XGWMTZIKBZRRMF-HXUWFJFHSA-N 336.439 3.955 0 50 EHAA Cc1ccccc1-c1cc(NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)n(C)n1 297324944 YKKHURMKAUATGW-UOVPBQLFSA-N 348.450 3.681 0 50 EHAA CC(C)(C)c1noc(-c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)n1 263618029 QXHCXRUUJHFCGB-CQSZACIVSA-N 342.374 3.641 0 50 EHAA CN(CCC[C@H]1CCCO1)C(=O)NCc1ccc2c(c1)CCCC2 584897583 YPRGVXWMGSYWCP-IBGZPJMESA-N 330.472 3.666 0 50 EHAA COC(=O)c1sccc1C(=O)Nc1ccc(N2CCCCC2)cc1 1350794609 RNOZEPNZXIGWTL-UHFFFAOYSA-N 344.436 3.777 0 50 EHAA CC[C@H](C)[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)C(=O)O 62742117 UOAPBVAOUIPKES-KWQFWETISA-N 327.306 3.560 0 50 EHAA O=C(O)[C@@]12CC[C@@H](c3ccccc3)C[C@@H]1CN(Cc1cccnc1)C2 1565516913 UNSAFWPCGWLGAL-SFHLNBCPSA-N 336.435 3.552 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1csc(-c2ccco2)n1 274843360 PZQMSXBBKYVPGR-UBHSHLNASA-N 332.425 3.621 0 50 EHAA Cc1cnc(C2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)s1 278393348 CZPICEVPRYSASL-UHFFFAOYSA-N 340.370 3.889 0 50 EHAA CCNc1ccc(Br)cc1NC(=O)c1cnc(C)nc1C 170592981 HNXONKOEKRILKT-UHFFFAOYSA-N 349.232 3.540 0 50 EHAA CC(C)Oc1ccc(NC(=O)N[C@H]2CCc3ccc(O)cc32)cc1 665599883 OVGSBULRSWXWLI-SFHVURJKSA-N 326.396 3.988 0 50 EHAA OC1(Cc2ccc(F)cc2)CCN(CC2Cc3ccccc3C2)CC1 685843903 NBKWELMADUDDQL-UHFFFAOYSA-N 339.454 3.610 0 50 EHAA Cc1nc(N2C[C@H]3CCC[C@](O)(c4ccccc4)[C@H]3C2)sc1C 1704297822 XNDUQGGMESGDSG-AYBZRNKSSA-N 328.481 3.884 0 50 EHAA NC(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 5636802 YZRYSAWVWIUWJF-UHFFFAOYSA-N 334.828 3.560 0 50 EHAA O=C(c1ccoc1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 11761757 ADXVWSJCDSKMGV-FQEVSTJZSA-N 342.414 3.547 0 50 EHAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 11818553 NPHHRXSATHNIMW-KRWDZBQOSA-N 325.456 3.522 0 50 EHAA O=C(NC[C@@H]1Cc2cc(F)cc(-c3ccccn3)c2O1)c1ccccc1 11841794 DPZRHGGPDYWEJX-KRWDZBQOSA-N 348.377 3.621 0 50 EHAA CC(C)N(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1F 12382446 YWPFDFZJAUGJRB-UHFFFAOYSA-N 345.399 3.988 0 50 EHAA O=C(c1ccc(Cl)cc1)[C@@H](CN1CCOCC1)c1ccccc1 19642016 BQYJRVUFRKAHQR-SFHVURJKSA-N 329.827 3.639 0 50 EHAA CN(C(=O)CCc1cnn(C)c1)[C@H]1CCCC[C@@H]1c1ccccc1 416015694 UFCVJQCMYQCNIP-MOPGFXCFSA-N 325.456 3.538 0 50 EHAA Cc1nc2cc(NCc3cc(O)cc(Cl)c3)ccc2n1[C@@H](C)CO 902594386 RBYXYFBUZQCJSV-NSHDSACASA-N 345.830 3.869 0 50 EHAA COc1cc(-c2noc([C@@H]3C[C@H]3c3ccc(F)cc3F)n2)sn1 904099414 HKCBJUSFBIQGLS-VHSXEESVSA-N 335.335 3.751 0 50 EHAA COc1cccc(-c2cc(NC(=O)C[C@H]3CCCC3(F)F)n(C)n2)c1 935143301 GRSFHMPNTWDCRZ-CYBMUJFWSA-N 349.381 3.860 0 50 EHAA COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1csnc1C 1875281174 SZVLCCCNYVLZMA-UHFFFAOYSA-N 340.470 3.558 0 50 EHAA Cc1nc2ccc(Br)cc2cc1OC[C@H]1C[N@@]1CC1CC1 1875378568 GPGCEWYSJXBPRQ-FOIQADDNSA-N 347.256 3.779 0 50 EHAA Cc1nc([C@@H]2CCCN2c2ccnc(Cc3ccccc3)n2)[nH]c1C 895192604 IVOVIWUJVSFPLT-KRWDZBQOSA-N 333.439 3.749 0 50 EHAA COc1ccc([C@@H](C)CC(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1 406265 PMOZEEBUJLHYNC-KBXCAEBGSA-N 339.391 3.909 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)Nc1cc(C)cc(C)n1 611507 YCKYMUPJNSGUAG-UHFFFAOYSA-N 335.454 3.664 0 50 EHAA O=C(Cc1c(F)cccc1Cl)Nc1nnc(-c2ccncc2)s1 2872835 QSWWULJCWMHRMG-UHFFFAOYSA-N 348.790 3.574 0 50 EHAA COc1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1Br 2914169 JVRGFOUBMTUMMD-XFXZXTDPSA-N 345.196 3.863 0 50 EHAA COc1ccc(C(=O)Nc2cccc(NC(=O)C(C)C)c2)c(OC)c1 4841219 RAIMFSAHLSNSFP-UHFFFAOYSA-N 342.395 3.551 0 50 EHAA Brc1ccccc1CN1CC[C@H](OCc2ccncc2)C1 225518950 MELIEYYARTYYMD-INIZCTEOSA-N 347.256 3.635 0 50 EHAA CCCC(=O)Nc1ccc(CC(=O)N[C@H](C)c2csc(C)n2)cc1 55403321 UZMGCWLCBDLWPJ-GFCCVEGCSA-N 345.468 3.610 0 50 EHAA CC(C)(C)c1cn(C2CCN(C(=O)NC3CCCCCC3)CC2)nn1 55271961 QNDHMMOHQUACIU-UHFFFAOYSA-N 347.507 3.645 0 50 EHAA CN(Cc1ccnc2ccccc12)C(=O)c1cc(-c2ccccc2)[nH]n1 67673432 DGYCYEHSXYCFOB-UHFFFAOYSA-N 342.402 3.897 0 50 EHAA Nc1ccnc(CN(Cc2ccccc2F)c2ccc(F)cc2)n1 135189305 LARNOZXGTTUORM-UHFFFAOYSA-N 326.350 3.544 0 50 EHAA CNc1ccnc(NCc2cccnc2Oc2c(C)cccc2C)n1 67872765 ZJPRQOMQOGJPDL-UHFFFAOYSA-N 335.411 3.935 0 50 EHAA CCCCn1cc(-c2cc(C(=O)N(C)C)c3ccc(F)cc3n2)cn1 23430043 JWAMDIHHBLXYAO-UHFFFAOYSA-N 340.402 3.739 0 50 EHAA Cc1cc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)n(C)n1 77470507 XNMPHQMQBMOKAR-UHFFFAOYSA-N 335.407 3.793 0 50 EHAA CC(C)c1nn(-c2ccccc2)c2c1[C@H](c1nccs1)CC(=O)N2 65394785 VYULNXFRHAZSKP-CYBMUJFWSA-N 338.436 3.926 0 50 EHAA Cc1ccncc1C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65435738 AFWOLFLLZWETOE-PZJWPPBQSA-N 346.430 3.534 0 50 EHAA CN1CCC(O)(Cn2cnc(-c3ccccc3)c2CC(C)(C)C)CC1 65405319 KBJKQVYICWKRDX-UHFFFAOYSA-N 341.499 3.595 0 50 EHAA O=C(O)C[C@H](c1cccc(C(F)(F)F)c1)N1Cc2ccccc2C1=O 2597317 CDPADJRQVFTFOB-OAHLLOKOSA-N 349.308 3.877 0 50 EHAA C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cn2cc(Cl)cn2)o1 2761475 VEZWOKRMQKXVEZ-GFCCVEGCSA-N 341.798 3.769 0 50 EHAA CC[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 70915572 WBNLTUKBCCEZSD-SFHVURJKSA-N 339.391 3.731 0 50 EHAA in-vitro O=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 253371015 ZMKQHAOCSWUPGS-VBNZEHGJSA-N 335.831 3.547 0 50 EHAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)o1 253419231 IEVYNDXBGZEVQM-PXAZEXFGSA-N 344.459 3.796 0 50 EHAA O=C(Nc1ccc(CC(F)(F)F)cc1)N1CC[C@@H]([C@@H]2CCOC2)C1 253428238 CHLCCYWOIAQGFC-ZIAGYGMSSA-N 342.361 3.682 0 50 EHAA Cc1ccc(C)c([C@H]2CN(C(=O)c3cn(C(C)C)cn3)[C@@H](C)CO2)c1 282680833 JGTXPRLVJPOKLT-QFBILLFUSA-N 341.455 3.683 0 50 EHAA CC(=O)c1c(C)cc(C)c(CN2CCO[C@@H](C(F)(F)F)C2)c1C 71589783 JJHMWAHYGOCDES-OAHLLOKOSA-N 329.362 3.578 0 50 EHAA CCc1nc(N)sc1C(=O)N1CCCC[C@H]1CCc1ccccc1 77470900 AYCJVISTLXYCPB-HNNXBMFYSA-N 343.496 3.915 0 50 EHAA O=C(Cc1ccc(O)c(F)c1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 450072635 IUYGIDQHHLCQHO-NEPJUHHUSA-N 333.325 3.559 0 50 EHAA CC(C)(c1ccc(F)cc1)C1(NC(=O)CCc2cscn2)CC1 456762235 ZMIFGXKVYKLOFN-UHFFFAOYSA-N 332.444 3.841 0 50 EHAA CCS[C@@H]1CCC[C@H](NC(=O)N(Cc2ccccn2)C2CC2)C1 175896155 AGQMQWFNNDEOJZ-WMLDXEAASA-N 333.501 3.820 0 50 EHAA C[C@H](CN[C@H](c1ccc(F)cc1)c1nc[nH]n1)Sc1ccccc1 340251493 KZRTXBOPFPRNCQ-CXAGYDPISA-N 342.443 3.804 0 50 EHAA COC(=O)C[C@@H](c1c(O)c2ccccc2oc1=O)C1CCCCC1 143357242 KSDRQDDHRLICSE-CQSZACIVSA-N 330.380 3.726 0 50 EHAA biogenic Cc1cc(C(F)(F)F)nc(CNC(=O)C[C@H]2CCc3ccccc32)n1 91665309 CRBNUEKCONVDBG-CYBMUJFWSA-N 349.356 3.540 0 50 EHAA Cc1ccc(F)c(C(=O)N2CCC(CCn3cccn3)CC2)c1Cl 91587154 DUSVTDVYQDSYOU-UHFFFAOYSA-N 349.837 3.927 0 50 EHAA CC[C@@H](NCc1nc(-c2cc(C)ccn2)no1)c1cc(F)ccc1F 294985763 MLTGTJAONUYLSL-OAHLLOKOSA-N 344.365 3.959 0 50 EHAA COC[C@H]1CCCN(CCC(=O)Nc2c(C)cc(C)cc2Cl)C1 252489431 JRAOOIZSHRESHT-HNNXBMFYSA-N 338.879 3.644 0 50 EHAA O=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@H]1c1ccco1 184633509 GZMOBNUARFFKPU-AWEZNQCLSA-N 329.404 3.745 0 50 EHAA CCCCn1nc(Cc2cccnc2)nc1[C@H]1CCCCCN1C 822888892 UHZVBYPJKAKLHY-QGZVFWFLSA-N 327.476 3.611 0 50 EHAA CCCCc1nc(CN2CCC[C@@H](c3ccncn3)C2)c(Cl)[nH]1 670462310 YHYITAMSHNSRMJ-CYBMUJFWSA-N 333.867 3.575 0 50 EHAA Cc1cc(S(=O)(=O)N[C@H](C)C2=CCCCC2)c2ncccc2c1 670444720 JTHJWNKJYNXZLF-CQSZACIVSA-N 330.453 3.710 0 50 EHAA CN(C(=O)c1cc(-c2ccccc2)no1)[C@H](c1ccccn1)C1CC1 952979819 ANDCNQZRKJPCQO-IBGZPJMESA-N 333.391 3.960 0 50 EHAA COc1ccc2oc(CN[C@H]3CCCO[C@@H]3c3ccncc3)cc2c1 275418557 DNIBJEPUEJPDRT-AZUAARDMSA-N 338.407 3.846 0 50 EHAA CCc1nccn1[C@@H]1CCCN(C(=O)c2coc(C3CCCC3)n2)C1 170083061 VVXMNMLVASSBMQ-OAHLLOKOSA-N 342.443 3.568 0 50 EHAA Cc1cnccc1OC1CCN(C(=O)c2ccccc2Cl)CC1 278354017 NLYWAYQXNMVELE-UHFFFAOYSA-N 330.815 3.727 0 50 EHAA COc1ccc([C@H]2CCCCCN2C(=O)Nc2ccncn2)cc1 194104739 LPGPJMNRDXMOEX-MRXNPFEDSA-N 326.400 3.634 0 50 EHAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccnc4ccccc34)C1)CC2 1704314441 QQSODFLCQLXLHN-QFIPXVFZSA-N 344.462 3.813 0 50 EHAA Fc1ccc(CSc2nncn2NC/C=C/c2ccccc2)cc1 2177942 BNUQGBIGNGOKBH-QPJJXVBHSA-N 340.427 3.966 0 50 EHAA C[C@@]12C[C@@H]1CN(Cc1cc(Cl)ccc1OCCCn1ccnc1)C2 1775982208 LYTQEEXUDRMXHW-APWZRJJASA-N 345.874 3.847 0 50 EHAA CCCCNC[C@H]1COc2ccc(OCc3ccccc3)cc2C1=O 5590936 VTKRKYXRTYRMHI-KRWDZBQOSA-N 339.435 3.847 0 50 EHAA O=C(c1ccccn1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 11955196 PVLPAPDYEPXMDE-OAHLLOKOSA-N 330.378 3.845 0 50 EHAA NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cccs1 13327078 VFHPIPPAFUUXFB-UHFFFAOYSA-N 342.445 3.752 0 50 EHAA CC(C)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 15745927 ABXGDOKKFMSGFV-KHSMEXAKSA-N 331.415 3.535 0 50 EHAA Cc1cc(OCC(=O)Nc2c[nH]nc2-c2nccs2)ccc1Cl 225569222 NGXLWEZFCZVTJJ-UHFFFAOYSA-N 348.815 3.513 0 50 EHAA C[C@@H](NC(=O)[C@H](CN)c1ccccc1)c1ccc(Cl)cc1Cl 237412648 ARUYYMKTPLOQMX-IAQYHMDHSA-N 337.250 3.913 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 237465853 CUEVRMZPALJCFS-WCQYABFASA-N 329.271 3.512 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)cc(O)n1 679091949 NRDZFODYLULPGN-CYBMUJFWSA-N 348.805 3.735 0 50 EHAA CCCOC1(c2noc(-c3cc(O)nc(C4CC4)n3)n2)CCCCC1 906115954 QJMMPBIAVTYHDL-UHFFFAOYSA-N 344.415 3.696 0 50 EHAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C1(CCc2ccccc2)CC1 932985661 WRHYXGBOFMMKQS-IBGZPJMESA-N 335.451 3.692 0 50 EHAA Oc1ncc(CN2CCOC[C@@H]2c2cccc(F)c2)c2ccccc12 1307934316 VHEKZSXFJKNTCB-LJQANCHMSA-N 338.382 3.653 0 50 EHAA O=c1c2oc3ccccc3c2cnn1-c1ccc(OC(F)F)cc1 1776002972 OOTAYDQPHNKTMF-UHFFFAOYSA-N 328.274 3.733 0 50 EHAA C[C@H](C(=O)O[C@@H]1CCC2(COC2)C1)c1cccc(Br)c1 2325799704 QUEJPOGZDXBPHK-SMDDNHRTSA-N 339.229 3.665 0 50 EHAA Cc1cc(-n2ccnc2C)ccc1CN[C@@H]1CCc2ccccc2OC1 2325856845 FCMJREJDYLDQGR-HXUWFJFHSA-N 347.462 3.973 0 50 EHAA O=c1c2cc(Cl)ccc2ncn1Cc1ccc(Br)cc1 388853 ASNPJRYNFNZFKM-UHFFFAOYSA-N 349.615 3.861 0 50 EHAA CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1NC(=O)C(C)C 456234 SBNLTIUOWACTET-UHFFFAOYSA-N 331.803 3.903 0 50 EHAA O=c1c2ccccc2ncn1CCCCOc1cccc(Cl)c1 2863145 GDZXPBUNYVMHLP-UHFFFAOYSA-N 328.799 3.909 0 50 EHAA Cc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](c2ccc(F)c(C)c2)C3)cn1 102694961 JROYQELPAPTQEL-BJWYYQGGSA-N 339.414 3.783 0 50 EHAA CCNc1nc(C)c(C(=O)N(Cc2ccncc2)[C@@H](C)CC)s1 55401603 WGBZYMKPOFNMHM-LBPRGKRZSA-N 332.473 3.719 0 50 EHAA CC(C)(C)c1ncc(NC(=O)N2CCC[C@H](c3nccs3)C2)cn1 114812562 WMSNLHQIZACZJI-LBPRGKRZSA-N 345.472 3.642 0 50 EHAA Fc1ccc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 20739370 OAIMMWKFZCKZLL-UHFFFAOYSA-N 334.398 3.609 0 50 EHAA C/C(=C\c1ccccc1)CN1CCC(C(=O)NCc2ccco2)CC1 22241687 OTYVVRPYTQOGGQ-SAPNQHFASA-N 338.451 3.711 0 50 EHAA O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCC[C@@H](c2nccs2)C1 229755836 DKVNRBKHQSJNCC-KWCYVHTRSA-N 348.418 3.931 0 50 EHAA O=C(CCN1CCCC[C@@H]1c1cccnc1)NC1CCCCCC1 65376176 CQMZFNYAZYZJNP-LJQANCHMSA-N 329.488 3.838 0 50 EHAA CN1CCc2cc(Br)c(O)cc2[C@H](c2ccccc2)C1 2516061 XFTVOHWWEQGXLS-HNNXBMFYSA-N 332.241 3.775 0 50 EHAA biogenic,investigational O=C(N[C@H]1COC2(CCCCC2)C1)c1cccc(OC(F)F)c1 219645912 PXSTWEXYBRLJBP-CYBMUJFWSA-N 325.355 3.510 0 50 EHAA OCc1ccccc1-c1ccc(-c2nc(Cc3ccccc3)no2)cn1 72130846 JMAAHQRYWFLFOI-UHFFFAOYSA-N 343.386 3.882 0 50 EHAA O=C(O)C1(CCCc2ccccc2)CCN(c2nccs2)CC1 71415756 PSJSAVNQKJTZJY-UHFFFAOYSA-N 330.453 3.837 0 50 EHAA CC(C)c1noc([C@H](C)Nc2nccc(CCC(F)(F)F)n2)n1 71747880 AKEADXDCAFOHKN-VIFPVBQESA-N 329.326 3.651 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)c2ccc3nc(C)c(C)nc3c2)no1 44633819 WYSVUENWBHAZLE-GOSISDBHSA-N 336.395 3.520 0 50 EHAA CC(C)[C@@H](NC(=O)CCc1ccc(N(C)C)cc1)c1cccnc1 223225650 GTRDNVPBZBPOBI-HXUWFJFHSA-N 325.456 3.594 0 50 EHAA CSCc1ccc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)o1 221269012 XJDZGLKXJYQWSD-MRXNPFEDSA-N 341.436 3.510 0 50 EHAA CCCc1cc(C(=O)N(Cc2cccnc2)Cc2ccsc2)[nH]n1 91425238 WWVCVRGTIQGVJD-UHFFFAOYSA-N 340.452 3.661 0 50 EHAA C[C@@H](c1cncs1)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 95516513 AUGCQWVNZCFVSK-HNNXBMFYSA-N 343.496 3.962 0 50 EHAA C[C@@H](c1nc2ccccc2o1)N1CCC(c2nnc3ccccn23)CC1 181108774 QKXGSPNMCAYZFO-AWEZNQCLSA-N 347.422 3.811 0 50 EHAA Cc1cccc(-c2[nH]ncc2CNc2cccc3c2OCC[C@@H]3O)c1 184073212 YTGUDPYPXSRRHQ-SFHVURJKSA-N 335.407 3.813 0 50 EHAA NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1 299739295 MXJGRJGAJZTXTQ-LBPRGKRZSA-N 348.805 3.692 0 50 EHAA C[C@@H](CCN(C)C(=O)NC1(c2ccccc2Cl)CC1)N1CCCC1 584899154 HKZIWAIUHVZTFY-HNNXBMFYSA-N 349.906 3.845 0 50 EHAA CC(C)[C@H]1CN(Cc2ccc(C(F)(F)F)cc2F)C[C@@H]1N(C)C 1565515882 OBENSQVLRXKSDI-ZBFHGGJFSA-N 332.385 3.863 0 50 EHAA C[C@H](CN(C)Cc1ccc(C2CCCCC2)s1)N1CCOCC1 952989187 VNXHLBQOEGIKJN-MRXNPFEDSA-N 336.545 3.948 0 50 EHAA CC(C)Cc1nc(CN(C)C(=O)[C@@]2(c3cccs3)CC2(C)C)no1 952991943 XUXSURHELAVDDA-SFHVURJKSA-N 347.484 3.656 0 50 EHAA OCC[C@@H](Nc1ncc(Br)cc1Cl)c1ccco1 276917499 OKFMJSFOASENHN-SNVBAGLBSA-N 331.597 3.626 0 50 EHAA Cc1ccc(-c2n[nH]c(NC(=O)c3cnn(C(C)(C)C)c3C)c2C)o1 192485294 RGWOINHFUHTORQ-UHFFFAOYSA-N 341.415 3.799 0 50 EHAA CCCN(C(=O)c1cccs1)C1CCN(C[C@H]2CCC=CO2)CC1 194076699 POGTYOYTFJDCCF-QGZVFWFLSA-N 348.512 3.757 0 50 EHAA O=C(OCc1ccccc1)c1cnc(-c2ccc3c(c2)OCO3)s1 728455816 SBYDRQUOBUJJKH-UHFFFAOYSA-N 339.372 3.896 0 50 EHAA COc1cccnc1CC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 684875534 ISCWSROAMJKTQU-MRXNPFEDSA-N 328.412 3.678 0 50 EHAA Cc1cc(=O)c(C(=O)N(C)[C@@H](C)c2ccc3ccccc3c2)cn1C 1506402288 MXUCQAXBOBXGAB-HNNXBMFYSA-N 334.419 3.680 0 50 EHAA Cc1c(C(=O)NCC(C)C)sc2ncnc(NCc3ccco3)c12 12245739 VERNBGUHYNOELW-UHFFFAOYSA-N 344.440 3.591 0 50 EHAA COc1ccc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)cc1O 12429356 GKEMPSJUPIZUPQ-OAHLLOKOSA-N 345.464 3.866 0 50 EHAA Cc1nc(NCc2cccs2)sc1-c1ccn([C@H]2CCOC2)n1 12035587 ZGSHUNPJJBZLRA-LBPRGKRZSA-N 346.481 3.950 0 50 EHAA Fc1ccccc1OCc1nc(-c2cccc(Br)c2)n[nH]1 1857530953 DZZYTNHLLAPKRP-UHFFFAOYSA-N 348.175 3.952 0 50 EHAA COc1cc(C)c(-c2csc(NC(=O)C3CCOCC3)n2)cc1C 1875251109 MTDYRHQBQVRWIM-UHFFFAOYSA-N 346.452 3.801 0 50 EHAA Cc1[nH]nc(C(F)F)c1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 253418603 XPBSDKRARGPLKH-AWEZNQCLSA-N 348.397 3.506 0 50 EHAA COc1cc(Br)cc(CNC(=O)c2c(C)coc2C)c1 830421586 BCTWRNRGYJIJPA-UHFFFAOYSA-N 338.201 3.598 0 50 EHAA Cc1nc(C[C@H]2CCCN(C(=O)c3ccccc3C3(C)CC3)C2)no1 931897506 REJZWBFARDNJQQ-OAHLLOKOSA-N 339.439 3.524 0 50 EHAA O[C@H](c1ccccc1)c1nc(-c2cccc(CN3CCCCC3)c2)no1 1875275055 SPCIHYBLVJSKOP-LJQANCHMSA-N 349.434 3.804 0 50 EHAA O=C(c1cc2c([nH]1)CCOC2)N1Cc2ccccc2C2(CCCC2)C1 1775986468 OWQFAMAFHDKRHT-UHFFFAOYSA-N 336.435 3.555 0 50 EHAA CC(C)(C)c1ccc(OCCNC(=O)c2ccc3c[nH]nc3c2)cc1 2325724417 LCQFWKKYKJTWAB-UHFFFAOYSA-N 337.423 3.669 0 50 EHAA CCC(C)(C)c1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1 58748 ZAOKKTSTVYXBMR-UHFFFAOYSA-N 329.421 3.902 0 50 EHAA CCOC(=O)[C@H](C)n1cnc2scc(-c3ccc(C)cc3)c2c1=O 98450 FKXQLWWHTANTSJ-LBPRGKRZSA-N 342.420 3.558 0 50 EHAA CC(C)c1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 187837 CSVSRMZSIDQBRX-RTBURBONSA-N 334.419 3.980 0 50 EHAA biogenic COc1cc2nc(CSCc3ccccc3)oc(=O)c2cc1OC 189000 QKZFNHHJILDBHB-UHFFFAOYSA-N 343.404 3.639 0 50 EHAA CCC(CC)C(=O)NCc1cccc(CNC(=O)C(CC)CC)c1 474925 UEGBAAKDZCLKLC-UHFFFAOYSA-N 332.488 3.791 0 50 EHAA COc1ccc(-n2c(SC(C)C)nc3ccccc3c2=O)cc1 522878 ISMHTHVVVHUEFA-UHFFFAOYSA-N 326.421 3.895 0 50 EHAA CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 1072447 YNORRJSRGOFDJU-CQSZACIVSA-N 342.826 3.894 0 50 EHAA C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12 4654893 CYKYBWRSLLXBOW-GDYGHMJCSA-N 334.500 3.568 0 50 EHAA endogenous,in-man O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1F 4858189 GKJATVGMWQARTI-UHFFFAOYSA-N 338.338 3.601 0 50 EHAA COc1nc2ccccc2nc1CCC(=O)Nc1cccc(Cl)c1 6728586 XWWJKNIOXWMGEV-UHFFFAOYSA-N 341.798 3.863 0 50 EHAA OCCN(C/C=C/c1ccccc1)Cc1c(Cl)cncc1Cl 55054216 UHEOZINAULWITB-QPJJXVBHSA-N 337.250 3.896 0 50 EHAA CCC(CC)(CCO)NC(=O)[C@H](C)Oc1cccc2ccccc12 225770443 UHDHJFMJQAXYPF-HNNXBMFYSA-N 329.440 3.665 0 50 EHAA Cc1nc(NC(=O)N2CCC[C@@H](c3ccccc3)CC2)nn1C(C)C 23541134 GQFNOUXWMDUTQI-QGZVFWFLSA-N 341.459 3.969 0 50 EHAA Cc1ccsc1CN(Cc1ccccn1)Cc1ccc(CO)o1 55243664 OYVULMRBIWCLQB-UHFFFAOYSA-N 328.437 3.739 0 50 EHAA O=C(c1cc(C2CCCCC2)n[nH]1)N1CCOc2cc(F)ccc21 135171511 ZOSWEXBGPVATPX-UHFFFAOYSA-N 329.375 3.636 0 50 EHAA Cc1ncc(C)c(N2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)n1 67856027 LRCMXQMDWSGRND-SFHVURJKSA-N 347.466 3.791 0 50 EHAA Fc1cc(I)c(Cl)cc1Br 63339631 AFEZDAWMIXHIIV-UHFFFAOYSA-N 335.341 3.846 0 50 EHAA CCc1ccc([C@@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)s1 229956252 GSJLIUJTOLBUPC-LSDHHAIUSA-N 345.512 3.781 0 50 EHAA O=C(Cn1ccc2ccccc21)Nc1nnc(Cc2ccccc2)s1 61721100 NQOXSUFCCWVMKJ-UHFFFAOYSA-N 348.431 3.722 0 50 EHAA COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)c(F)c1 252480848 CEVUNKNZHYPLRN-UHFFFAOYSA-N 329.780 3.597 0 50 EHAA O=C(O)C1(Cc2ccccc2Cl)CCN(c2ncccc2F)CC1 71765196 IZJFCNPDQNXWOB-UHFFFAOYSA-N 348.805 3.788 0 50 EHAA O=C(O)[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccncc2)C1 71614737 CMQNHFVIMKAPLV-LJQANCHMSA-N 344.842 3.645 0 50 EHAA C[C@H](NCc1c(-c2ccccc2)nc2ccccn12)C1CCOCC1 125354840 NJLPETXBIMDSBT-INIZCTEOSA-N 335.451 3.906 0 50 EHAA CC(C)n1nccc1C(=O)N(CCc1ccccc1)Cc1ccccn1 215359230 HDGPKNGAZQDUDC-UHFFFAOYSA-N 348.450 3.744 0 50 EHAA Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CCCc2[nH]ncc21 153197048 DSUUFOUZEPRBLO-STQMWFEESA-N 346.500 3.938 0 50 EHAA CCN(C)C[C@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C1 174537429 LWJPQPJVFAYYCJ-QGZVFWFLSA-N 337.467 3.844 0 50 EHAA COc1ccc([C@H]2CCN(C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1 155550731 VHRRWEFZMBLTAB-KRWDZBQOSA-N 338.407 3.919 0 50 EHAA O=C(Cc1n[nH]c2ccccc12)N[C@@H]1CC[C@@H](c2ccccc2F)C1 366671099 QBAFOLCHRSNVDG-ZIAGYGMSSA-N 337.398 3.697 0 50 EHAA Cc1ccc2c(C)c(C(=O)NCC3(Cn4ccnc4)CC3)oc2c1C 77423589 RHHUXPXSAOGOCC-UHFFFAOYSA-N 337.423 3.765 0 50 EHAA Cc1ccc(-c2ccnc(NCc3cc(C(C)(C)C)n[nH]3)n2)c(C)n1 71661416 ASXLPWOITVRCTN-UHFFFAOYSA-N 336.443 3.788 0 50 EHAA Cc1nn(C(C)C)c(C)c1CN(C)Cc1cnc(N2CCCC2)s1 215541764 ASYGFRBMZNYYNM-UHFFFAOYSA-N 347.532 3.770 0 50 EHAA COc1ccccc1OC1CCN(Cc2nccn2C(C)C)CC1 72145160 ONRHAMGHSRJXMV-UHFFFAOYSA-N 329.444 3.516 0 50 EHAA Cc1cc(C(=O)N[C@@H]2CCOc3c(F)cccc32)c(C)n1C1CC1 239351942 AAVNAXLQOWLQDG-QGZVFWFLSA-N 328.387 3.833 0 50 EHAA O=C(c1ccnc(C2CC2)c1)N1C[C@H](n2cccn2)Cc2ccccc21 240244151 DKIDWQSBJWXDHF-GOSISDBHSA-N 344.418 3.600 0 50 EHAA Cc1cc(C[C@@H](C)n2ccnc2-c2cccc(-n3cccn3)c2)n[nH]1 72420180 PSXKVODNYMGZFC-OAHLLOKOSA-N 332.411 3.571 0 50 EHAA COc1ccccc1[C@H](CN[C@H](C)c1cc(C)n(C)n1)OC(C)C 242324491 ZBTGKPRWCSPZJK-BEFAXECRSA-N 331.460 3.554 0 50 EHAA COCc1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 47305697 YCKQEKOYFUTWSO-UHFFFAOYSA-N 338.451 3.684 0 50 EHAA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1cccc(Cl)c1 20606588 UREPPLNBPNQPSJ-HNNXBMFYSA-N 346.766 3.842 0 50 EHAA CC(C)n1c(Br)nc(Br)c1Br 95829770 VVGQUAILRKCRJR-UHFFFAOYSA-N 346.848 3.752 0 50 EHAA CC[C@H](c1ncccc1C)n1cc(-c2csc(C(C)=O)c2)nn1 92107166 VYYRADWBPLRJGX-OAHLLOKOSA-N 326.425 3.912 0 50 EHAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)CCc2cccc(F)c2)C1 95517716 NDHIXYHTUHRJGJ-KRWDZBQOSA-N 343.446 3.942 0 50 EHAA C[C@H](CNC(=O)NCCc1cc2ccccc2o1)c1nccs1 184287315 ZIEMLTMWKJDHDS-GFCCVEGCSA-N 329.425 3.535 0 50 EHAA CC[C@H]1CN(Cc2nc3ccccc3[nH]2)Cc2cc(OC)ccc2O1 299760244 DXBAWFZNKCYVCV-HNNXBMFYSA-N 337.423 3.745 0 50 EHAA CCCn1cc(NC(=O)N2CCC[C@]2(C)Cc2cccs2)cn1 1335904277 CSMSCJVKZCHSOW-QGZVFWFLSA-N 332.473 3.984 0 50 EHAA Cc1ccc(CN(CCCO)C(=O)Cc2ccc(C)c(C)c2)cc1 952966945 FZMWXKFHVSWQHD-UHFFFAOYSA-N 325.452 3.566 0 50 EHAA CCN(C)[C@@H](C)c1nc(COc2cccc(OC)c2)nn1C(C)(C)C 952860102 DUJKGWCRZOAMHD-AWEZNQCLSA-N 346.475 3.633 0 50 EHAA COC(=O)Cc1nnc(/C=C/c2ccc(-c3ccccc3F)s2)o1 170605415 YNRNUYHRVIOGEE-VQHVLOKHSA-N 344.367 3.823 0 50 EHAA CCCCOc1ccc(S(=O)(=O)NCC(C)C)cc1C(C)C 170615077 CQARIRLYAVGIKN-UHFFFAOYSA-N 327.490 3.923 0 50 EHAA Cc1c(NC(=O)Nc2cnc(C3CC3)nc2)cnn1C1CCCC1 193537288 WFVPRTDTDLTNOH-UHFFFAOYSA-N 326.404 3.618 0 50 EHAA CCc1nc(C[S@@](=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)n[nH]1 194573326 OEXATYDCKQHXIL-FFVOIRBGSA-N 332.256 3.684 0 50 EHAA Cc1nnc(CC(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)o1 195091691 HHFIPYAXLMPUDX-INIZCTEOSA-N 347.827 3.541 0 50 EHAA O=C(/C=C/c1ccco1)Nc1ccc2nn(-c3ccccc3)nc2c1 135758 AFSRQATYLSSREW-PKNBQFBNSA-N 330.347 3.665 0 50 EHAA aggregator CC[C@@]1(O)CCC[C@@H]2CN(c3cc(C(F)(F)F)cc(C)n3)C[C@@H]21 1704338662 XJLSRWJTXGSFCZ-IVMMDQJWSA-N 328.378 3.786 0 50 EHAA Cc1cccnc1[C@H](Nc1ncccc1C(=O)N1CCCC1)C1CC1 1704302754 CEPUOVSSQXRGFA-GOSISDBHSA-N 336.439 3.584 0 50 EHAA CN(C)[C@@H]1CCC[C@H]1Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O 1704305000 PWMPBSGFHAUJJT-CHWSQXEVSA-N 349.818 3.588 0 50 EHAA O=C(c1ccoc1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 11761762 ADXVWSJCDSKMGV-HXUWFJFHSA-N 342.414 3.547 0 50 EHAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2cc3ccccc3o2)C1 12225595 NTFMGGVXGIJRKR-FQEVSTJZSA-N 345.439 3.615 0 50 EHAA Cc1nc(N2C[C@@H](C)C[C@@H](C)C2)nc2c1C(=O)C[C@@H](c1ccco1)C2 12653588 GGRUSMFPYLLBGF-GUTXKFCHSA-N 339.439 3.773 0 50 EHAA CCCn1c(Br)nc(Br)c1Br 13209394 CLJXQVVLSZWGJO-UHFFFAOYSA-N 346.848 3.581 0 50 EHAA CCCc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 13745871 IVFZZNSBPFOLRD-UHFFFAOYSA-N 326.415 3.741 0 50 EHAA Cc1cc(N2C[C@H]3C[C@H](O)C[C@H]3C2)c2cc(C(F)(F)F)ccc2n1 1857690428 CCIYFJWUEIFBFW-IMRBUKKESA-N 336.357 3.769 0 50 EHAA CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NC[C@H](C)O 4056163 VVQMCQHJXZWPKZ-QMMMGPOBSA-N 343.210 3.511 0 50 EHAA CCn1c([C@H]2CCCN2c2nc(C)cc(OC)n2)nc2ccccc21 674882162 ZBMGQBGEFQCSFB-MRXNPFEDSA-N 337.427 3.505 0 50 EHAA Cc1ccnc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3c3cccnc3)cc2)n1 377179026 OENKTCRKXZHRQH-MSOLQXFVSA-N 346.390 3.715 0 50 EHAA Cn1nc(C2CC2)cc1C(=O)Nc1c(-c2ccccc2)ncn1C1CC1 931296276 MLPAPSWCDLNHPS-UHFFFAOYSA-N 347.422 3.748 0 50 EHAA CC(C)c1ccc(-n2ccnc2SCC[C@@H]2COCCO2)cc1 1875354478 XCKPJHDLMFQWTI-QGZVFWFLSA-N 332.469 3.893 0 50 EHAA CCc1ccccc1NC(=O)N1CC2(CC(OC)(OC)C2)[C@H]1C(C)C 877871423 PRYHAMVFAGBHKX-QGZVFWFLSA-N 346.471 3.890 0 50 EHAA CCCC(C)(C)C(=O)NC[C@@H]1CC[C@H]1NC(=O)CC(C)(C)C(F)F 2325842577 BAAWJEREGAZBQB-QWHCGFSZSA-N 346.462 3.505 0 50 EHAA O=C(N[C@@H](Cn1ccnc1)c1ccccc1)[C@H](F)c1ccc(F)cc1 2325880118 VFXVBHRUIDZUDZ-ZWKOTPCHSA-N 341.361 3.591 0 50 EHAA Cc1nnc2n1-c1sc(Cl)cc1C(c1ccccc1F)=NC2 144433056 ZDYRCUZZLRLMHG-UHFFFAOYSA-N 332.791 3.781 0 50 EHAA O=c1c2ccccc2ncn1CCOc1ccc(Cl)c(Cl)c1 235918 BUQAHSDJVZEVOU-UHFFFAOYSA-N 335.190 3.782 0 50 EHAA O=C(Nc1ccccc1OC(F)F)c1ccc(Br)o1 528270 DCKIJAVARVFYFG-UHFFFAOYSA-N 332.100 3.896 0 50 EHAA COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(SC)cc1 1061639 LAGVSAPZDICNOY-UHFFFAOYSA-N 343.857 3.871 0 50 EHAA O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)cc1 2976706 YDJSTESXEMDIKX-UHFFFAOYSA-N 328.799 3.828 0 50 EHAA Cc1ccc(N2C(=O)C[C@@H](SCc3ccccc3)C2=O)c(C)c1 100525994 VFPQJDRTFHPNDM-QGZVFWFLSA-N 325.433 3.869 0 50 EHAA CNc1ncccc1C(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65527757 XEGJLLOIKMXMQL-OAQYLSRUSA-N 349.434 3.594 0 50 EHAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2sc(C(C)C)nc2C)C1 67604458 RMDHNTWEONTJOF-CQSZACIVSA-N 346.500 3.880 0 50 EHAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCCCCn1cccc1 409413397 ALPMMOISFXQKNV-VQTJNVASSA-N 345.531 3.771 0 50 EHAA biogenic CC(C)(C)c1csc(CN2CCOC[C@@H]2CC(=O)c2ccco2)n1 121146431 WJQQSJCPRMNMHR-ZDUSSCGKSA-N 348.468 3.507 0 50 EHAA O=C(CCc1ccccc1Cl)NCc1ccc(-n2ccnc2)cc1 67621472 FKGRSSCSUZGPGY-UHFFFAOYSA-N 339.826 3.775 0 50 EHAA C[C@@H](Cc1cccnc1)n1cnc2sc3c(c2c1=O)CCCCC3 32587208 GWSLZKUJOHWBHZ-ZDUSSCGKSA-N 339.464 3.926 0 50 EHAA COCc1ccc([C@@H]2CCCN2Cc2ccc(-c3cc[nH]n3)o2)o1 328587657 DVDYPRXMUPAIAD-INIZCTEOSA-N 327.384 3.746 0 50 EHAA O=C(Nc1cnn(Cc2ccccn2)c1)c1ccc(C2CCC2)cc1 252503330 VBGHNNFJLBTXSO-UHFFFAOYSA-N 332.407 3.846 0 50 EHAA Cc1ccc([C@@H]2CCCN2C(=O)N=c2cc(-c3ccoc3C)o[nH]2)o1 328588472 PYBCISSAXFCOPY-AWEZNQCLSA-N 341.367 3.935 0 50 EHAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)c2n[nH]cc2Cl)C1 71416395 ZBXQKIFFQWIIIS-AWEZNQCLSA-N 331.847 3.857 0 50 EHAA COCc1cc(N2CC(C)(C)[C@@H]2c2ccncc2)nc(C(C)(C)C)n1 368029743 PJICWQQXYWWLRH-KRWDZBQOSA-N 340.471 3.903 0 50 EHAA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)CC1=CCCCC1 377097652 DFEBRJAVLMOFSK-CQSZACIVSA-N 328.460 3.729 0 50 EHAA c1ccc(-c2cc(NCc3cc(C4CC4)[nH]n3)n3nccc3n2)cc1 72425035 NEGLCGLUVKRUID-UHFFFAOYSA-N 330.395 3.609 0 50 EHAA CC[C@@H](c1ccc(C)cc1C)n1ccnc1-c1cc2n(n1)CCCNC2 72476418 SQUPFFNGXAGSIM-FQEVSTJZSA-N 349.482 3.856 0 50 EHAA CN(Cc1cccc(-n2cccn2)c1)C(=O)Cc1c[nH]c2ccccc12 77287218 IPIXLWOSAKDKDP-UHFFFAOYSA-N 344.418 3.555 0 50 EHAA CC(C)Oc1ccc(NC(=O)N2CCC(c3c[nH]cn3)CC2)c(F)c1 241277583 LHGOEMUWEDHGLK-UHFFFAOYSA-N 346.406 3.748 0 50 EHAA CCCCN(C)c1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1 241564191 OSBNNCCSBRJLQU-XLIONFOSSA-N 343.515 3.622 0 50 EHAA CCOc1cc(O)ccc1NC(=O)[C@@](O)(CC)c1cccc(Cl)c1 242389569 ZYJVBJUYHLASIL-GOSISDBHSA-N 349.814 3.681 0 50 EHAA N=c1oc2ccc(Cl)cc2cc1C(=O)NCCc1ccccc1 17066890 QNICTHFKPDZCQM-UHFFFAOYSA-N 326.783 3.538 0 50 EHAA CCCn1c(C)cc(-c2csc(NC(=O)c3ccnnc3)n2)c1C 178952284 KWJGNQAZUNUNAJ-UHFFFAOYSA-N 341.440 3.681 0 50 EHAA COc1ccc(-c2ccc(C(=O)NC3CC3)s2)c(-n2cccn2)c1 426484388 CRAXUZSXWNRQIW-UHFFFAOYSA-N 339.420 3.502 0 50 EHAA Cc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)s1 91593830 BIYJKHXGUZDYAB-FUHWJXTLSA-N 327.497 3.548 0 50 EHAA Cc1nc2c(n1[C@H]1CCN(Cc3c[nH]nc3C(C)(C)C)C1)CCCC2 299740299 YEGDNMVBRXCFHY-INIZCTEOSA-N 341.503 3.538 0 50 EHAA CCOc1ccc([C@@H](C)NC(=O)N(C)CCN(C)C2CCCC2)cc1 534655209 AMEUOCWGPSAMJD-MRXNPFEDSA-N 347.503 3.662 0 50 EHAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3c[nH]nc3C3CCCCC3)[C@H]2C1 299799692 YCKIFMQSRAUIEP-WSTZPKSXSA-N 347.503 3.616 0 50 EHAA COc1cccc(C)c1C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 824795721 VPDWXIRPNYISGI-QZTJIDSGSA-N 339.435 3.871 0 50 EHAA c1ccc([C@@H]2CN(Cc3cnc(-c4cccs4)nc3)CCO2)cc1 952978975 MKPWOSAEEAWZLL-KRWDZBQOSA-N 337.448 3.779 0 50 EHAA O[C@H](COc1ccc(C2CCCCC2)cc1)COC1CCOCC1 270132554 OLLZNUKKYVIEKS-GOSISDBHSA-N 334.456 3.670 0 50 EHAA Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 270504578 DZTPIQOAFHXGBY-UYAOXDASSA-N 338.451 3.896 0 50 EHAA O=C(C1CCCC1)N1CC[C@@H](N[C@@H](c2ccccc2)c2ccncc2)C1 170070139 BTZLNNULIIMHLU-RTWAWAEBSA-N 349.478 3.552 0 50 EHAA C[C@@H]1CN(c2ccc(Nc3cnc4ccccc4n3)cc2)C[C@@H](C)O1 170602696 NDHXFOVZWBYLLN-HUUCEWRRSA-N 334.423 3.987 0 50 EHAA COc1cc(NC(=O)N(C)CC(F)(F)F)cc(OC)c1C(C)C 408514356 KROBFALJGHZEEJ-UHFFFAOYSA-N 334.338 3.853 0 50 EHAA Cn1nc(CC(C)(C)C)cc1NC(=O)[C@H]1CCCc2c(O)cccc21 190330025 QKQQUGKTYOMXGH-INIZCTEOSA-N 341.455 3.773 0 50 EHAA CS(=O)(=O)Cc1ccccc1NC(=O)c1csc2ccccc12 194914721 JDNNTSORJTURBL-UHFFFAOYSA-N 345.445 3.698 0 50 EHAA COc1cc(Cl)cc(C(=O)N(Cc2c(C)nn(C)c2C)C2CC2)c1 1506399257 CVUIUDPOCFCAIV-UHFFFAOYSA-N 347.846 3.504 0 50 EHAA Cc1cc(F)ccc1N1CCC(NCc2cc(C(C)(C)C)n[nH]2)CC1 1506416486 BTMSTVGOTFLBPV-UHFFFAOYSA-N 344.478 3.913 0 50 EHAA COc1cccc(CN2CCC[C@]3(CCN(CC(C)(C)C)C3)C2=O)c1 11879583 MIAWKOBTKOWPFI-OAQYLSRUSA-N 344.499 3.556 0 50 EHAA C[C@@H]1CCc2c(C(=O)N3CCN(c4ccccc4)CC3)csc2C1 13331604 ZSMJBRVVGODXRB-OAHLLOKOSA-N 340.492 3.835 0 50 EHAA Cc1cc(NC(=O)c2ccccn2)c2cc(Br)ccc2n1 13684266 GZGGZQRJFZWIBJ-UHFFFAOYSA-N 342.196 3.953 0 50 EHAA CC(C)Cc1noc(-c2ccc(N[C@H](C)Cc3cccnc3)nc2)n1 15064336 CXRDZEDSHLTPNE-CQSZACIVSA-N 337.427 3.768 0 50 EHAA CCc1c(C(=O)N2CCN(Cc3ccccc3)CC2)csc1C 16604720 HRQLMYRDGGKMQS-UHFFFAOYSA-N 328.481 3.577 0 50 EHAA CN(C(=O)CCc1cnn(C)c1)[C@H]1CCCC[C@H]1c1ccccc1 416015696 UFCVJQCMYQCNIP-OALUTQOASA-N 325.456 3.538 0 50 EHAA CCOc1cccc2[nH]cc(CCNC(=O)N3CC[C@H](CC)C3)c12 252497256 QCJTZXDPQXRMKG-AWEZNQCLSA-N 329.444 3.551 0 50 EHAA O=C(CCc1nnc(C2CCCC2)o1)N[C@@H]1CCCc2ccccc21 156018402 JKKQJNGYNAFTQU-QGZVFWFLSA-N 339.439 3.854 0 50 EHAA C[C@@H](C1CC1)n1cc(NC(=O)NCc2nc3c(s2)CCCC3)cn1 930975048 FARDVHHVRDAPSN-NSHDSACASA-N 345.472 3.511 0 50 EHAA c1cc([C@@H]2CCCN(Cc3nc(C4CCCC4)no3)CC2)ccn1 1875281443 BGCNWRHBTLEPHL-OAHLLOKOSA-N 326.444 3.892 0 50 EHAA Cc1csc(C[C@@H]2CCN(C(=O)c3cc4nc(C)ccc4o3)C2)n1 886232851 FJBRUPJOXPVTJW-ZDUSSCGKSA-N 341.436 3.606 0 50 EHAA Cn1cc([C@@H](NC(=O)c2cc3occc3s2)c2ccccc2)cn1 1325267313 BLYHBJIOGFVPQN-KRWDZBQOSA-N 337.404 3.747 0 50 EHAA CC[C@@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1cccc(Br)c1 87335 WQODTAZBDZLKLW-NWDGAFQWSA-N 325.202 3.669 0 50 EHAA Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccccc1)CC(O)=N2 15083350 CMWONNJIZSGHNY-GFCCVEGCSA-N 339.786 3.748 0 50 EHAA Cc1ccc(-c2cccc(NC(=O)c3onc4c3CNCC4)c2)cc1 2325856464 QNENKYYSAQPIGL-UHFFFAOYSA-N 333.391 3.548 0 50 EHAA O=C(NS(=O)(=O)CCCC1CCCC1)c1ccccc1C1CCC1 2325865914 UPNVQMVOMDQXFK-UHFFFAOYSA-N 349.496 3.984 0 50 EHAA Cc1cc(NC(=O)CCN2CCCCC2)ccc1Br 176186 GNWKHWLRRJFWMB-UHFFFAOYSA-N 325.250 3.572 0 50 EHAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)[C@@H]1CCCO1 6726658 DEIWDAIYYOTZOT-YGRLFVJLSA-N 334.803 3.601 0 50 EHAA CC[C@H](O)c1nc2ccccc2n1CCOc1ccccc1OC 6745850 LYLCQBOCKYTTFQ-INIZCTEOSA-N 326.396 3.567 0 50 EHAA COC1CCN(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)CC1 53974625 YJURLNZRNPRIBB-HXUWFJFHSA-N 338.451 3.905 0 50 EHAA CN1C[C@H](Cn2cnc(-c3ccccc3)c2-c2ccsc2)CC1=O 65386891 CQQGAOFQHMKUKK-CQSZACIVSA-N 337.448 3.757 0 50 EHAA COCC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 27978473 YDMNCUIFSZWFKJ-UHFFFAOYSA-N 340.423 3.821 0 50 EHAA Cc1ccccc1CN1CCN(C(=O)Nc2cccc(C)c2C)CC1 20418551 IPDOMMIDCIERJT-UHFFFAOYSA-N 337.467 3.962 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(F)cc2)c(F)c1 20399334 HYKJDEWXPXFHCG-QGZVFWFLSA-N 344.361 3.517 0 50 EHAA COc1ccc(OCCN2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 67921806 ABJOYSPDSIYBTQ-LJQANCHMSA-N 337.423 3.787 0 50 EHAA CCCCc1noc(COc2ccc(Br)cc2C=O)n1 120846862 WFYMHIRVQRGMDV-UHFFFAOYSA-N 339.189 3.566 0 50 EHAA Fc1ccc(-c2cnnc(NCc3nc4c(s3)CCCC4)n2)cc1 12299976 KINTYSKIDBYEKJ-UHFFFAOYSA-N 341.415 3.625 0 50 EHAA Cn1nc(-c2ccccc2)c2c1NC(=O)C[C@H]2c1cc(C(C)(C)C)[nH]n1 67789266 GWBCYFXCBFAZNB-ZDUSSCGKSA-N 349.438 3.582 0 50 EHAA C[C@@H](CC(F)(F)F)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 123386007 FYPSKJMXYKBVMB-WODVXLOZSA-N 336.398 3.847 0 50 EHAA CC(=O)Nc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1 123902275 VCBPEHDTKPCXBH-UHFFFAOYSA-N 348.450 3.901 0 50 EHAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCC(Cc2ccccc2)CC1 6402825 PFILXTYLXNCVHA-UHFFFAOYSA-N 337.345 3.523 0 50 EHAA Cc1nn(C)cc1CN(C)C(=O)C[C@H](c1ccccc1)c1ccco1 219991787 UMCFBWGNNGNZGX-GOSISDBHSA-N 337.423 3.502 0 50 EHAA Fc1cccc(CN2CCN(CCSc3ccccc3)CC2)c1 72145520 WXUJMCRHTCRIDC-UHFFFAOYSA-N 330.472 3.736 0 50 EHAA CC(C)(O)CCc1ccc(CN2CCC3(CCOCC3)CC2)cc1 72424396 ZFWAZJJSDUNIRY-UHFFFAOYSA-N 331.500 3.783 0 50 EHAA C[C@H]1CCCCN1C1CN(Cc2cnc(C3CCCCC3)nc2)C1 72131761 GRKDTLKLBFFUDS-INIZCTEOSA-N 328.504 3.583 0 50 EHAA C[C@@H](NC(=O)Cc1ccccc1CO)c1ccc(C(F)(F)F)cc1 241173030 KFLQOXSRYUREDA-GFCCVEGCSA-N 337.341 3.618 0 50 EHAA CC(C)Cn1cncc1CN1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 72149003 RHORGKVOBDTSCT-MRXNPFEDSA-N 348.441 3.894 0 50 EHAA COC[C@@H](NC(=O)C1(c2ccccc2)CCCCC1)c1ccccn1 220220924 RPVYECNZUOBRJZ-LJQANCHMSA-N 338.451 3.787 0 50 EHAA O=C(Nc1cc(C2CC2)ccn1)N[C@H]1CCOc2c(F)cccc21 290010324 DIOCBQOUNNVRIC-HNNXBMFYSA-N 327.359 3.743 0 50 EHAA CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 95837086 RUKNPFBJQDRKIS-HOTGVXAUSA-N 333.428 3.590 0 50 EHAA COc1cc(F)c(C(=O)NCc2sc(C(C)C)nc2C)c(F)c1 299788865 YINDGYXLTGAZEE-UHFFFAOYSA-N 340.395 3.792 0 50 EHAA CC(=O)c1ccc(C(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)s1 952983380 KZWJCRYGIJRHPR-NSHDSACASA-N 342.420 3.718 0 50 EHAA CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nc(-c2ccccn2)cs1 408515072 LXRSUVNUXBKGIX-CQSZACIVSA-N 347.440 3.514 0 50 EHAA COc1cccc2c(C)c(C(=O)OCc3c(C)nn(C)c3Cl)oc12 170623531 CJOQXLSKBFHUIE-UHFFFAOYSA-N 348.786 3.802 0 50 EHAA CN1CCC(CNC(=O)Cc2ccc(C3CCCCC3)cc2)CC1 667831082 KRNAPKYEWMGIMP-UHFFFAOYSA-N 328.500 3.735 0 50 EHAA Cc1cc(=O)c(O)c(-c2[nH]c(-c3cccnc3)nc2-c2ccccc2)o1 1848442849 LMVKUABUTVWKMO-UHFFFAOYSA-N 345.358 3.773 0 50 EHAA Fc1cccc(OCc2nc(CC3=CCCC3)n([C@@H]3CCOC3)n2)c1 1772813281 WJROSLRAMREWBM-MRXNPFEDSA-N 343.402 3.610 0 50 EHAA O=C(c1ccc(Oc2ccccc2)o1)N1CCC[C@H](c2ccn[nH]2)C1 11784810 NHYXFSQPLSONGD-AWEZNQCLSA-N 337.379 3.815 0 50 EHAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2ccncc2)C1 12194340 DVQCHUWVVNCRPL-INIZCTEOSA-N 326.465 3.898 0 50 EHAA Cc1cc(C)n2ncc(-c3nccn3[C@@H]3C[C@H]3c3ccccc3)c2n1 1857690186 DTRCGAFJQLXHCL-FUHWJXTLSA-N 329.407 3.938 0 50 EHAA O=C(c1ccccc1)N1CCC(NC[C@H]2CC[C@@H]3CCC[C@@H]32)CC1 1857695695 USUUTZCKHVOOHL-HQRMLTQVSA-N 326.484 3.707 0 50 EHAA FC(F)(F)O[C@](F)(Br)C(F)(F)Br 4329293 YFDBNXBLJICGCE-REOHCLBHSA-N 325.828 3.529 0 50 EHAA in-vitro CCCC1(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1 151995616 JMKYGZJDRTWTSG-UHFFFAOYSA-N 325.412 3.924 0 50 EHAA c1ccc(Oc2cccc(-c3noc(C45CCN(CC4)C5)n3)c2)cc1 1875281265 YWHGPOOZYMQXTO-UHFFFAOYSA-N 333.391 3.876 0 50 EHAA C[C@H]1CCC[C@@](O)(CNc2cc(-c3ccccc3)nc3ccnn23)C1 1875301897 VGHHTTCKZSZZEX-YWZLYKJASA-N 336.439 3.749 0 50 EHAA Oc1nc(COCC(F)F)nc2ccc(Oc3ccccc3)cc12 1875331542 MLIQBJGLPXKYID-UHFFFAOYSA-N 332.306 3.909 0 50 EHAA COC1(OC)CC2(CN(Cc3cccc4cnccc34)[C@@H]2C(C)C)C1 877871991 ZYBFNWSBGNTLCT-LJQANCHMSA-N 340.467 3.844 0 50 EHAA O=C(N[C@@H]1CC[C@@H](OC(F)F)C1)N[C@@H]1CCc2cc(Cl)ccc21 1775988327 YWCWUHMHCZKQCT-YRGRVCCFSA-N 344.789 3.787 0 50 EHAA Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(F)c4occc34)C2)nc1 899676494 PCIYFIQSDVIMDR-CYBMUJFWSA-N 340.354 3.569 0 50 EHAA O=C(Cc1cccs1)Nc1cccc2[nH]c(C(F)(F)F)nc12 4625936 ZSXKHZMKEKJYQD-UHFFFAOYSA-N 325.315 3.824 0 50 EHAA Cc1nccn1CCCN(C)C(=O)c1cc(Cl)cc2ccncc12 2325773281 GMWCQXWXJRCUMB-UHFFFAOYSA-N 342.830 3.555 0 50 EHAA COc1cc2ccc(CN3Cc4c[nH]nc4[C@H](C)C3)cc2cc1OC 2325793092 FBLDPOUDZGTGJE-CYBMUJFWSA-N 337.423 3.699 0 50 EHAA Cc1sc2nc(SCC(=O)c3ccccc3)nc(N)c2c1C 200247 AJWGYTGFJMEQHN-UHFFFAOYSA-N 329.450 3.865 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1 268440 NABRORLWEBSSIT-UHFFFAOYSA-N 337.470 3.695 0 50 EHAA Cc1ccc(C(=O)NC2CCCCC2)cc1I 358784 GXFNOJHFIRUYAL-UHFFFAOYSA-N 343.208 3.662 0 50 EHAA Cc1ccccc1C(=O)NC(=S)Nc1cccc(Br)c1 406150 WDWZMUSXYFQPJV-UHFFFAOYSA-N 349.253 3.884 0 50 EHAA Cc1ccccc1CSCC(=O)N1CCN(c2ccccc2)CC1 454326 NHEHDFPGKKPRFX-UHFFFAOYSA-N 340.492 3.577 0 50 EHAA CCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OC)c1 457102 LGGLXUDQGOSXON-UHFFFAOYSA-N 333.771 3.778 0 50 EHAA CC[C@H](SC1=NCCS1)C(=O)Nc1nc2ccccc2s1 466435 HCQOZCDTISITJR-JTQLQIEISA-N 337.495 3.849 0 50 EHAA COc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OC 471832 AHNYODZESNOMQR-NSHDSACASA-N 335.787 3.763 0 50 EHAA Cc1ccccc1N1CCN(c2ncnc3sc(C)c(C)c23)CC1 545401 SHGVVPZAXZIMLK-UHFFFAOYSA-N 338.480 3.943 0 50 EHAA CCCN1CCC[C@]2(CCCN2Cc2ccc3[nH]ccc3c2)C1=O 2356134998 LTHOGAVZJLJVGR-FQEVSTJZSA-N 325.456 3.535 0 50 EHAA CCCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1ccccc1Cl 2935780 MNEOWMMIRDPASH-OAHLLOKOSA-N 336.819 3.653 0 50 EHAA c1ccc(C2(c3csc(=NC4CCCCC4)[nH]3)CCNCC2)cc1 2356166117 VPRQKKGSFBYICL-UHFFFAOYSA-N 341.524 3.979 0 50 EHAA C[C@H](NCc1ccc(OCC(=O)NC(C)(C)C)cc1)c1ccccc1 8534259 KSGJBPSKDOKAHP-INIZCTEOSA-N 340.467 3.831 0 50 EHAA COc1ccc2c(c1)N(C(=O)[C@H](C)O[C@@H]1CCC[C@H](C)C1)C[C@@H](C)O2 225389117 HFYWCTHZPVDVME-QSJFSLAZSA-N 347.455 3.793 0 50 EHAA CCOC(=O)[C@@H]1CCC[C@H](CNc2ccccc2O[C@H]2CCOC2)C1 225408709 JHCWDBUFZMMZRW-BBWFWOEESA-N 347.455 3.636 0 50 EHAA Cc1ccc(N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 100556121 HJODVOGEORMURW-HNNXBMFYSA-N 348.324 3.758 0 50 EHAA CCCCN(Cc1ccsc1)C(=O)c1csc(CN(C)C)n1 55360363 GMWCPHLSMCHXDV-UHFFFAOYSA-N 337.514 3.709 0 50 EHAA CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccncc1 55254354 ATVMWGKFYRPUAG-UHFFFAOYSA-N 326.396 3.641 0 50 EHAA CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)c2cccnc12 248105847 FUPRUKGYGLGSHD-DLBZAZTESA-N 343.858 3.587 0 50 EHAA Cc1ccc(Cc2nnn(Cc3cc(-c4ccc(C)cc4)no3)n2)cc1 471523746 SZJJYCPGYIJSLH-UHFFFAOYSA-N 345.406 3.584 0 50 EHAA c1cc2c(cc1CN1CCN3CCC[C@H]3[C@H]1C1CCCCC1)OCO2 22078093 KHJGVIHWNXKXPN-GHTZIAJQSA-N 342.483 3.644 0 50 EHAA Cc1ncsc1CN(Cc1ccc(Cl)cc1)C[C@@H]1CCNC1 328622070 AZPQRUUILHDXFJ-OAHLLOKOSA-N 335.904 3.717 0 50 EHAA Sc1nnc(Cc2ccc(Cl)c(Cl)c2)n1C[C@@H]1CCCO1 6925722 IHVFIPSSXQRVRE-JTQLQIEISA-N 344.267 3.643 0 50 EHAA O=C(CSc1nccn1Cc1ccccc1)c1c[nH]c2ncccc12 362318428 KRULQVDMCNKPCQ-UHFFFAOYSA-N 348.431 3.783 0 50 EHAA O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](Nc2ccccc2)C1 126241629 IYWICYRZDMJUEP-SFHVURJKSA-N 333.435 3.814 0 50 EHAA Cn1cc(CN2CCc3sccc3C2)c(-c2ccc(F)cc2)n1 449008579 JZOJGFNTVNLKCR-UHFFFAOYSA-N 327.428 3.846 0 50 EHAA NC1(c2noc(/C=C/c3cccc(OC4CCCC4)c3)n2)CCC1 261744791 LGJSWNVLZGEOKF-MDZDMXLPSA-N 325.412 3.899 0 50 EHAA CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1cn(-c2ccccc2)nn1 495126910 JYDGPIKFAWRRRC-IBGZPJMESA-N 334.423 3.737 0 50 EHAA Cc1ccc(-c2nc(CCNC(=O)c3cccc(F)c3F)co2)cc1 377518252 FKHLYOPPIKDLOC-UHFFFAOYSA-N 342.345 3.901 0 50 EHAA CCn1ccnc1CN(C)Cc1ccc(OCc2ccccn2)cc1 215098976 SWKNTLAHTURCMO-UHFFFAOYSA-N 336.439 3.509 0 50 EHAA CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1ccc(F)cc1Cl 77340567 UGXPROKMHZFEDC-INIZCTEOSA-N 346.833 3.608 0 50 EHAA COCC1(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)CCC1 284065454 QICWMIDSMWAOBI-UHFFFAOYSA-N 341.455 3.810 0 50 EHAA O=C1CC[C@]2(CCCO2)CCN1Cc1ccc(OC(F)(F)F)cc1 72166256 JEXJTRCQUBDLHO-MRXNPFEDSA-N 343.345 3.647 0 50 EHAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cnc2ccccc2c1 82120982 WJEASZCHEBUDQA-QGZVFWFLSA-N 345.446 3.833 0 50 EHAA CCc1cc(C(=O)N2CCCC[C@@H]2CCc2cccs2)cc(=O)[nH]1 97831137 MLEFTEVYIAOBJP-MRXNPFEDSA-N 344.480 3.626 0 50 EHAA Cc1cc2cc(C(=O)N3CC[C@@](O)(c4ccccc4C)C3)ccc2o1 91270349 IZFFDMDBFDHSOQ-NRFANRHFSA-N 335.403 3.783 0 50 EHAA CCOc1ccccc1NC(=O)CCN1CCC[C@@H]1c1ccccn1 252478138 AEEAPZCDGIIUNV-GOSISDBHSA-N 339.439 3.646 0 50 EHAA COC(=N)NP(=O)(OCc1ccccc1)OCc1ccccc1 263621671 NZJACRWPBCKCTA-UHFFFAOYSA-N 334.312 3.699 0 50 EHAA Cc1oc2ccccc2c1C(=O)NCc1ccnc(OCC2CC2)c1 185513699 CALBXTXQWVRWEG-UHFFFAOYSA-N 336.391 3.855 0 50 EHAA Cn1c([C@H]2CCCN2C(=O)CCCn2cccc2)nc2ccccc21 269497353 VQURZWXMZGXFKW-GOSISDBHSA-N 336.439 3.519 0 50 EHAA C[C@@H](NC(=O)CCc1cc(F)ccc1F)[C@@H](c1ccccc1)N(C)C 170597977 XSYMRUPHKAAUKN-VLIAUNLRSA-N 346.421 3.705 0 50 EHAA Cc1nc2cc(NC(=O)N[C@H]3CCOc4c(F)cccc43)ccc2o1 190106049 DDGDNLKEGUDHHP-AWEZNQCLSA-N 341.342 3.921 0 50 EHAA O=C(Cc1ccc(-n2cccc2)cc1)N1CC=C(c2ccccc2)C1 779680138 FPTFDNQNWGKTDU-UHFFFAOYSA-N 328.415 3.946 0 50 EHAA Fc1ccc(N2CCC(NCCCC[C@@H]3CCCO3)CC2)cc1F 1506407097 OAUGYBZOEUZMIQ-QGZVFWFLSA-N 338.442 3.873 0 50 EHAA COc1cc(C)ccc1OCCN1CCC[C@]2(CCC[C@H]2OC)C1 1704330287 HVGBFGVWQVXABB-WOJBJXKFSA-N 333.472 3.664 0 50 EHAA Cc1cc(C(=O)N2CCC3(CC2)OCCc2sccc23)ccc1F 1704338780 ZHCZQPWDPMVYRC-UHFFFAOYSA-N 345.439 3.900 0 50 EHAA COCCNc1cc(C)nc2c(-c3ccccc3Cl)c(C)nn12 5325467 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O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCC[C@@H]1c1ncc[nH]1 931228270 UNJFEKOQGXCFAO-GOSISDBHSA-N 334.423 3.696 0 50 EHAA CCOC1CCN(C(=O)Nc2cccc(Oc3ccccc3)n2)CC1 934423879 OJXQRYDEQXELSL-UHFFFAOYSA-N 341.411 3.907 0 50 EHAA C[C@@H](NC(=O)/C=C/CN(C)C)c1ccc(Oc2ccccc2)c(F)c1 1875376097 ZSLQGDACSYOSTH-JOZWUWCOSA-N 342.414 3.913 0 50 EHAA Cc1oc(C(C)(C)C)cc1CNc1cccc(NS(C)(=O)=O)c1 892325610 NCUOXQPHQNBKOL-UHFFFAOYSA-N 336.457 3.869 0 50 EHAA CC(C)(C)c1ccnc(CN2CC[C@H](CC(=O)O)C(F)(F)CC2)c1 2325791905 HKTUFNBEDDIQPU-CQSZACIVSA-N 340.414 3.701 0 50 EHAA Cc1cc(=NC(=O)NCC(C)(C)c2ccc(C(C)(C)C)cc2)[nH]n1C 2325879884 LFCDENUQSQMOJZ-UHFFFAOYSA-N 342.487 3.547 0 50 EHAA Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1C 98203 XEPOSOOWQYYRJX-JTQLQIEISA-N 342.464 3.841 0 50 EHAA CC1=CC[C@@H]2C(=O)N(c3ccc(C)c(Br)c3)C(=O)[C@@H]2C1 110164 OTPBGHCPUQNBFB-QWHCGFSZSA-N 334.213 3.603 0 50 EHAA Cc1sc(NC(=O)c2ccccc2)c(C(=O)N2CCCC2)c1C 131744 BLKBBDKOPGEUOJ-UHFFFAOYSA-N 328.437 3.853 0 50 EHAA COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@H]1c1ccc(F)cc1 191504 FQPFPFUBBUBDOH-ICSRJNTNSA-N 338.382 3.704 0 50 EHAA COc1cccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1 204289 RCYBYPYELMEVOC-UHFFFAOYSA-N 330.409 3.559 0 50 EHAA CCOC(=O)c1cc(C(=O)Nc2ccccc2F)n2ccc(C)cc12 390761 YULCTSBVOVNBRC-UHFFFAOYSA-N 340.354 3.816 0 50 EHAA CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccco1 413163 SKEHIJBYUJOMQS-UHFFFAOYSA-N 331.372 3.672 0 50 EHAA CC[C@H](C)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 2560038 YMPMFRNXDNCNRH-VBKZILBWSA-N 339.435 3.932 0 50 EHAA in-vitro CCOc1ccc(NS(=O)(=O)c2cc(C)ccc2OCC)cc1 6702220 ACZWGWQOQPVNFA-UHFFFAOYSA-N 335.425 3.593 0 50 EHAA O=C1C[C@H](c2ccc(F)cc2)Cc2c1cnn2-c1nc2ccccc2[nH]1 9421481 UOYBZLOIUKGNSC-CYBMUJFWSA-N 346.365 3.800 0 50 EHAA O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 13331562 RRBYJTDQHVABBI-UHFFFAOYSA-N 334.341 3.668 0 50 EHAA C=C[C@@](C)(CO)C[C@@H](OCOC)[C@]1(C)C2=C(CCC2=O)CC[C@H]1C 43762544 BFZGQDFVOSRBKZ-SJFSSXKUSA-N 336.472 3.646 0 50 EHAA OCCCCN(Cc1ccccc1)C[C@@H]1CCCN2CCCC[C@H]12 55167308 APFMEMLONIXXCT-LEWJYISDSA-N 330.516 3.526 0 50 EHAA C[C@@H](c1ccco1)N(C)Cc1cccc(C(=O)Nc2cnns2)c1 67725565 GIAPNDYENUFFHT-LBPRGKRZSA-N 342.424 3.576 0 50 EHAA COc1ccc(-n2ccnc2-c2cc(OC)c(O)c(OC)c2)c(C)c1 67850813 XQCDFJNVQHOXCC-UHFFFAOYSA-N 340.379 3.579 0 50 EHAA Cc1n[nH]c(-c2cccc(-n3ccnc3[C@@H]3CCOC(C)(C)C3)c2)n1 71748947 XIPNYCQZPUACPF-OAHLLOKOSA-N 337.427 3.638 0 50 EHAA Cc1cc(COc2ccccc2)oc1C(=O)N1CC(c2ccncc2)C1 72160881 KNZCEDQZLDAZSQ-UHFFFAOYSA-N 348.402 3.802 0 50 EHAA Cc1cc(=O)c(C(=O)O)c(Cc2ccccc2)n1CCc1ccccc1 72446977 BXWGSKFOUHBBHJ-UHFFFAOYSA-N 347.414 3.688 0 50 EHAA CC(C)n1ccnc1C1CCN(C(=O)NCc2ccccc2)CC1 91468932 IUVOWKXLICOWTJ-UHFFFAOYSA-N 326.444 3.553 0 50 EHAA Cc1nonc1[C@H]1CCCN1C(=O)c1[nH]c2c(C)ccc(C)c2c1C 91665023 KCMOVPCFJWTSCE-CQSZACIVSA-N 338.411 3.762 0 50 EHAA CC1(C)C[C@@]1(C(=O)N1CCC2(CCCO2)CC1)c1ccc(F)cc1 91690149 MDJGTRHLWWSKAA-FQEVSTJZSA-N 331.431 3.665 0 50 EHAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N[C@@H](C)Cc3cncs3)c2c1 91943874 ZCTKMZSPVPMJQQ-ZDUSSCGKSA-N 341.480 3.840 0 50 EHAA O=C(Cc1ccsc1)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95366020 KPDSJJZXBHYDFS-QGZVFWFLSA-N 343.496 3.693 0 50 EHAA Cc1cccc(Cl)c1NC(=O)N(C)Cc1noc(C2CCC2)n1 95522763 FBEJXSMBSHHNGO-UHFFFAOYSA-N 334.807 3.963 0 50 EHAA CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc(-c2ccccc2)cc1 98091051 TYQICOFAZDVKMK-SFHVURJKSA-N 327.424 3.782 0 50 EHAA Cc1nc2ccc(NC(=O)N3CCO[C@@H](c4cccs4)C3)cc2o1 134574921 MLYBIDANICEJJO-OAHLLOKOSA-N 343.408 3.803 0 50 EHAA CC[C@@H](C)n1ncc(C(=O)N2CCSc3ccncc32)c1C1CC1 191965624 XXZXQDKUYGUVIX-GFCCVEGCSA-N 342.468 3.879 0 50 EHAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)[C@@H]1CCc2ccccc2C1 215272558 NPQCBERUWOEVJQ-GOSISDBHSA-N 347.418 3.500 0 50 EHAA CC[C@@H](NC(=O)c1cccc(-c2cccc(OC)c2)c1)C1CC(O)C1 219716938 CLUUKOYJIZUDPP-AFMYVXGZSA-N 339.435 3.642 0 50 EHAA CCOC(=O)c1ccc(F)c(C)c1NC(=O)c1ccoc1Cl 225484917 ZKWCYKMXUCUKBB-UHFFFAOYSA-N 325.723 3.810 0 50 EHAA C[C@@H](O)C[C@@H]1CCCCN1CCc1nc(-c2cccc(Cl)c2)no1 225729021 RILFARAQJKSPHG-CJNGLKHVSA-N 349.862 3.558 0 50 EHAA C[C@@H](O)c1ncc(C(=O)N2CCc3ccc(C(C)(C)C)cc3C2)s1 253407757 JBLGSLXGNQOMEC-GFCCVEGCSA-N 344.480 3.692 0 50 EHAA CN(Cc1ccc(Cl)s1)C(=O)CCc1ccc(C(=O)O)cc1 262612531 LJPDLUSTSVLLQG-UHFFFAOYSA-N 337.828 3.691 0 50 EHAA O=C1CCN1c1cccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)c1 280323241 YQBNTOWYNPDDDV-SFHVURJKSA-N 349.434 3.662 0 50 EHAA COc1cc(C)c(NC(=O)N2C[C@@H](OC)Cc3ccccc32)cc1F 298097363 NFJRXGFVMJRMDY-AWEZNQCLSA-N 344.386 3.752 0 50 EHAA O=C(c1cc[nH]c1C1CC1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 368499382 PMHLBLYSRDUPTP-LJQANCHMSA-N 342.414 3.617 0 50 EHAA O=C(c1cc(Cl)c[nH]1)N(Cc1cccnc1)Cc1ccsc1 426381442 LHHXIEKPDUIQAY-UHFFFAOYSA-N 331.828 3.967 0 50 EHAA CO[C@@H]1CCCN(C(=O)NCC2(c3ccccc3)CCCCC2)C1 426606675 BHLIWRUZUWZXSN-GOSISDBHSA-N 330.472 3.709 0 50 EHAA CC(C)CCc1cc(NC(=O)c2ccc(-c3cc[nH]n3)s2)n[nH]1 432679891 POOAGBXJDYOJKP-UHFFFAOYSA-N 329.429 3.702 0 50 EHAA Cc1cc(S(=O)(=O)N[C@@H](C)Cc2cccs2)c(Cl)cc1F 471790657 HAKYXFRFMDPXTG-JTQLQIEISA-N 347.864 3.759 0 50 EHAA CCc1ccc(CN(C)C(=O)NC(C)(C)Cc2ccc(F)cc2)nc1 534672343 DESDOQQASBFBCN-UHFFFAOYSA-N 343.446 3.946 0 50 EHAA O=C(NCc1ccon1)Nc1ccccc1N1CCc2ccccc21 747536349 DRKXXNZOKWPOHQ-UHFFFAOYSA-N 334.379 3.691 0 50 EHAA CC1(C)CC[C@@H](NC(=O)CCCn2cncn2)[C@H](c2ccccc2)C1 871219462 CGKVQGCYMDTTJK-ZWKOTPCHSA-N 340.471 3.537 0 50 EHAA CCC(C)(C)c1ccccc1C(=O)N1CCC(NCC2CC2)CC1 911841842 TVOLQQBHJJPNPG-UHFFFAOYSA-N 328.500 3.978 0 50 EHAA O=C(O)[C@H]1C[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)C1 1346236951 DKZHZZWGDUOZRQ-VNHYZAJKSA-N 349.839 3.718 0 50 EHAA Cc1noc(C)c1C(=O)N1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1529158537 DZNGLAOSLOYZTI-DLBZAZTESA-N 342.439 3.920 0 50 EHAA CC[C@H]1[C@H](NC(=O)CSCc2ccccc2Cl)[C@H]2CCO[C@@H]12 1565506481 UWQUUKVMYCJZCD-RMHZUWNSSA-N 339.888 3.503 0 50 EHAA Oc1cc(CN2CCC[C@]3(CCC[C@H]3O)C2)nc2c(Cl)cccc12 1704338142 LXNRZSUWJOTBPH-IEBWSBKVSA-N 346.858 3.721 0 50 EHAA Brc1cccnc1NCc1ccc(-c2ncc[nH]2)cc1 1875255445 SFILBMKAMZCVSD-UHFFFAOYSA-N 329.201 3.846 0 50 EHAA CC(C)C(=O)Nc1cccc2c1CCCN2C(=O)[C@@H]1CCC1(C)C 1875267802 ACSUJNMXSZYBPM-HNNXBMFYSA-N 328.456 3.997 0 50 EHAA CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 1875337100 TTXXFOVVHKBIRL-UHFFFAOYSA-N 343.333 3.500 0 50 EHAA O=C(N[C@H](CO)c1cccc(Cl)c1)c1cc2ccc(Cl)cc2[nH]1 2325721419 FAZVZQHAQOKQSD-MRXNPFEDSA-N 349.217 3.938 0 50 EHAA COc1ccc2ccnc([C@H](C)NC(=O)c3cc(C)ncc3C)c2c1 2325783619 MWADUHTVOOBAMK-AWEZNQCLSA-N 335.407 3.746 0 50 EHAA O=C(Nc1cccc(C(F)(F)F)c1)C(=S)NCc1ccccc1 31471 GUGJLVSDFGWLCE-UHFFFAOYSA-N 338.354 3.761 0 50 EHAA Cc1sc2ncn(Cc3ccc(Br)cc3)c(=O)c2c1C 98410 UBFRWVMVPPYYID-UHFFFAOYSA-N 349.253 3.886 0 50 EHAA O=c1c2c3c(sc2[nH]c(=S)n1CCc1ccccc1)CCC3 503360 VULGALACVZUJNW-UHFFFAOYSA-N 328.462 3.852 0 50 EHAA CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 1189900 CVTJEHWKRKVEFJ-UHFFFAOYSA-N 333.771 3.778 0 50 EHAA CCCCOC(=O)Nc1ccc(I)cc1C 1770707 IXHWVOVCOZDOIH-UHFFFAOYSA-N 333.169 3.948 0 50 EHAA O[C@@H](CNCCc1ccccc1)Cn1c2ccccc2c2ccccc21 2057086 ULYPFEFNGKFKSF-IBGZPJMESA-N 344.458 3.988 0 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EHAA CCOC(=O)C[C@@H]1C(=O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 33732080 HRWUEUOAAKJSEV-LQWHRVPQSA-N 337.419 3.601 0 50 EHAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cn(C)c2ccccc12 72429718 LVKHJQFRYAYISH-UHFFFAOYSA-N 346.390 3.501 0 50 EHAA CN(Cc1cccc(-n2cccn2)c1)C[C@]1(c2ccccc2)CCOC1 215463276 AFRHSVYRYZQTEI-JOCHJYFZSA-N 347.462 3.662 0 50 EHAA CC(C)(C)OC(=O)c1ccc(CNCC2(CO)CC3(CCC3)C2)cc1 434989506 AWXJZGPTVYMZSA-UHFFFAOYSA-N 345.483 3.674 0 50 EHAA Cc1ccc2cc(C(=O)N3Cc4cnn(-c5ccccc5)c4C3)[nH]c2c1 341941822 JWVKXSZYQUJVIT-UHFFFAOYSA-N 342.402 3.818 0 50 EHAA CN(C)C(=O)c1ccc(CN2C[C@H]3CCCC[C@]32c2ccccc2)[nH]1 361084434 BNNDVGWTFYNROS-UTKZUKDTSA-N 337.467 3.618 0 50 EHAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)C1(c2ccccc2)CC1 79318035 TVILPCPQVGPQJG-LJQANCHMSA-N 337.419 3.915 0 50 EHAA c1ccc(CCN(Cc2cccnc2)c2ncnc3sccc23)nc1 362374206 UZDHOSUYJJCEKA-UHFFFAOYSA-N 347.447 3.731 0 50 EHAA Cc1ccccc1SC1CCN(C(=O)c2nn(C)cc2Cl)CC1 77420334 PGHHCOUSMUYOIR-UHFFFAOYSA-N 349.887 3.779 0 50 EHAA Cc1cccc(NC(=O)c2ccc3nccnc3c2)c1Br 132441305 QSHVYHGZKFPPRL-UHFFFAOYSA-N 342.196 3.953 0 50 EHAA c1ccc(-c2nc(N3CCC[C@H](c4nc5ccccc5[nH]4)C3)no2)cc1 77452421 OVSIFDOPCGURRZ-HNNXBMFYSA-N 345.406 3.997 0 50 EHAA CCn1ccnc1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 72170335 IUPDXDIKZJALOD-UHFFFAOYSA-N 339.270 3.532 0 50 EHAA Cc1nccn1CC[C@H]1CCCCN1Cc1cc(C(C)(C)C)[nH]n1 77357601 BXAQUBPULRURCR-QGZVFWFLSA-N 329.492 3.657 0 50 EHAA Cn1ccnc1[C@H]1CCCN(C(=O)CSc2ccc(Cl)cc2)C1 82126205 PKOARSCJDCJFSP-ZDUSSCGKSA-N 349.887 3.572 0 50 EHAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)CCc4ccncc4)C3)nc12 82115397 OLZBZZJJNWZWLI-KRWDZBQOSA-N 348.450 3.605 0 50 EHAA O=C(Cc1c[nH]c2ccccc12)Nc1ccc(C(=O)O)c(Cl)c1 238170407 FTEPPECMOPAJHL-UHFFFAOYSA-N 328.755 3.701 0 50 EHAA CC[C@H](NC(=O)Nc1ccc(-c2cccc(C)c2)cc1)C(=O)N(C)C 96139864 CSHADFXNKUZYOJ-SFHVURJKSA-N 339.439 3.650 0 50 EHAA C[C@@H](c1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1)N1CCOCC1 426544722 KCSNQDZSLNBACK-HNNXBMFYSA-N 340.471 3.913 0 50 EHAA O=C(c1ccc2nonc2c1)N1CCCC[C@@H]1CCc1cccs1 92081918 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3.984 0 50 EHAA O=C(/C=C/c1ccccc1F)Nc1ccnn1Cc1ccsc1 198196374 ITPCJWFQAFTIRF-AATRIKPKSA-N 327.384 3.784 0 50 EHAA CC(C)(C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1)n1cccc1 1506404563 YTERCTTXJZIDTH-OAHLLOKOSA-N 336.439 3.506 0 50 EHAA COc1ccc(CNc2ccc3cn[nH]c3c2)cc1Br 4555741 HTMXNWYZPPBIGL-UHFFFAOYSA-N 332.201 3.946 0 50 EHAA CCc1ccc(OCCCN(C)C[C@H]2CCC(=O)N(C(C)C)C2)cc1 1775981869 JIZJQDCASQGEEJ-LJQANCHMSA-N 346.515 3.597 0 50 EHAA CN(C)CCOC(=O)[C@H](C[C@H]1CCCO1)c1cccc2ccccc12 5674779 WINDMCCYDFPNPV-YLJYHZDGSA-N 341.451 3.597 0 50 EHAA COc1cccc(-c2cn[nH]c2C2CCN(Cc3cccnc3)CC2)c1 12080232 RAOUJUSLZFHYMX-UHFFFAOYSA-N 348.450 3.860 0 50 EHAA FC(F)Oc1cc(Br)ccc1I 15444657 HGKGESMHCNFRSC-UHFFFAOYSA-N 348.912 3.655 0 50 EHAA CCCn1cc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)c(C)n1 19228315 YOEBFSBUGOCPNN-OAQYLSRUSA-N 340.515 3.698 0 50 EHAA Fc1ccc([C@]2(CNc3nnc(C4CCC4)s3)CCOC2)cc1 19790989 AEOQXTWGGVXMTI-KRWDZBQOSA-N 333.432 3.715 0 50 EHAA Cc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cc1 169755512 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CC(C)(N)C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 71745992 HUDLDTOZECRFIK-ZDUSSCGKSA-N 342.405 3.614 0 50 EHAA COc1ccccc1N1CCN(Cc2cccc(C(C)=O)c2)[C@@H](C)C1 72121686 WKSKKROZBSMPSO-INIZCTEOSA-N 338.451 3.609 0 50 EHAA O=C(c1cncc(Cl)c1)N1CCC[C@@H](COc2ccc(F)cc2)C1 77388497 WPWKANZKJRVHFM-CYBMUJFWSA-N 348.805 3.805 0 50 EHAA OCCCCN1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 71759204 MBMXVAAJWPPMDX-NRFANRHFSA-N 339.479 3.682 0 50 EHAA O=C(c1ccnnc1)N1CCCN(Cc2ccccc2)c2ccccc21 151913085 NYAZVBWMKNMEFM-UHFFFAOYSA-N 344.418 3.534 0 50 EHAA Cc1nc(/C=C/c2cc(C)c3ncccc3c2)nc(O)c1CCC(=O)O 443453331 KRXGIROTMAWYIY-FNORWQNLSA-N 349.390 3.535 0 50 EHAA O=C(O)c1ccccc1[C@H]1CCN(Cc2cccc(-n3cccn3)c2)C1 72146053 JBNAYBGCMKLRNQ-KRWDZBQOSA-N 347.418 3.560 0 50 EHAA Cc1ccc(C[C@@H](NC(=O)[C@H](C)c2ccccn2)c2ccccn2)cc1 241739144 RAJXZCKKVZJGOY-DYESRHJHSA-N 345.446 3.989 0 50 EHAA CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC1CCC(C(=O)O)CC1 263439174 VQWRJEPDWOLAFN-SXSDBLRQSA-N 325.836 3.649 0 50 EHAA O=C(NCCCOC1CCCC1)Nc1cccc(-c2cnc[nH]2)c1 426574987 IREYXYCDNPCANH-UHFFFAOYSA-N 328.416 3.548 0 50 EHAA CC[C@H](c1cccnc1)N(C)C(=O)c1cccc(-c2nccn2C)c1 426397999 CMBBXXYFIGKJLG-GOSISDBHSA-N 334.423 3.705 0 50 EHAA O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[C@@H](Cc2ccccc2)C1 91594533 RKDUNGINVVDEBK-INIZCTEOSA-N 349.409 3.921 0 50 EHAA CC[C@@](C)(CCNC(=O)c1csc(C)n1)c1ccccc1OC 96148114 XDWOLYWXJHLBGM-SFHVURJKSA-N 332.469 3.948 0 50 EHAA Cc1cc(C)c2[nH]c(C(=O)N(C)CCC3(O)CCCC3)c(C)c2c1 91536646 FNOHIUHAOSEOFZ-UHFFFAOYSA-N 328.456 3.860 0 50 EHAA CCN(Cc1c(F)cccc1Cl)C(=O)c1cccc(COC)n1 97696122 QSTNDTBPTLSHRX-UHFFFAOYSA-N 336.794 3.683 0 50 EHAA CCn1c(C)nnc1CN[C@@H](C)c1cc(F)c(Cl)cc1Cl 181642397 MOJLBFHDPSUUSC-QMMMGPOBSA-N 331.222 3.903 0 50 EHAA COCCC[C@@H](C)C(=O)N1CCc2cc(Br)cc(F)c21 183246357 MMGYLDKBLUYDKG-SNVBAGLBSA-N 344.224 3.540 0 50 EHAA FC(F)(F)c1ccnc(N2CCO[C@@H](c3cccc(Cl)c3)C2)n1 183972503 NVXIZABBDDUNNL-GFCCVEGCSA-N 343.736 3.727 0 50 EHAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)NCC1C(C)(C)C1(C)C 534676883 NNGUEEYECFXDGH-UHFFFAOYSA-N 342.443 3.560 0 50 EHAA COC(=O)c1ccc(-c2noc([C@@H]3C[C@@H]3c3ccccc3F)n2)cc1 109618636 NNIOISSHHZZPHE-HUUCEWRRSA-N 338.338 3.933 0 50 EHAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cccc(-c4ccccn4)c3)C2)n1 299762112 KYZJZYUQPRDCJO-LJQANCHMSA-N 346.434 3.649 0 50 EHAA CCOc1nn(C)c2ccc(NC(=O)Nc3cccc(F)c3)cc12 675027877 FBPOGUZCJNPWCJ-UHFFFAOYSA-N 328.347 3.755 0 50 EHAA Cc1ccccc1[C@@H](NC(=O)N(C)CC(C)(C)CO)c1ccccc1 584892887 ZBOCCHCTTNCPKF-IBGZPJMESA-N 340.467 3.744 0 50 EHAA c1csc(-c2nc(CNCc3ccc([C@H]4CCCCO4)o3)no2)c1 952960217 NCXPWQMBTZRCIF-CYBMUJFWSA-N 345.424 3.923 0 50 EHAA Cc1cc(NCc2cc(CC(C)C)no2)nc(-c2ccccc2O)n1 952964648 OORKMFZUQLQTEK-UHFFFAOYSA-N 338.411 3.956 0 50 EHAA C[C@]1(c2ccccc2)CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 268935186 BSOAXCLXVRVDRT-PXNSSMCTSA-N 338.455 3.550 0 50 EHAA CCOc1ccc(C2=CCN(c3ncnc4onc(C)c34)CC2)cc1 192518510 IILGSBMQKZIVQG-UHFFFAOYSA-N 336.395 3.619 0 50 EHAA C[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(O)c1 194875039 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CC1=NO[C@@](C)(CNc2nc(-c3ccccn3)nc3sccc23)C1 1875294814 NXEYVPIMORNQHM-QGZVFWFLSA-N 339.424 3.720 0 50 EHAA CON1CCC(Cc2nc(-c3csc(C(F)(F)F)c3)no2)CC1 1875290898 HQKOUOTXWFXTAA-UHFFFAOYSA-N 347.362 3.633 0 50 EHAA CN(C[C@@](C)(O)c1ccccc1)C(=O)[C@H]1CC[C@@H](n2cccc2)CC1 1875274427 OTGOCFIYFPGCSD-SLYNCCJLSA-N 340.467 3.586 0 50 EHAA O=C(N[C@H]1CCC[C@@H](C(=O)O)CC1)c1csc(C(F)(F)F)c1 1875287640 SONRUVIHZLKGQH-SCZZXKLOSA-N 335.347 3.530 0 50 EHAA Cc1ccc([C@@]23C[C@@H]2CN(C(=O)c2cc4c(C)cccn4c2)C3)cc1 1875405857 QBDULXIHRGBSAP-KNQAVFIVSA-N 330.431 3.970 0 50 EHAA Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)SCC(=O)N2 54339 SWWKOIKXMPKBGN-SFHVURJKSA-N 335.432 3.955 0 50 EHAA CC1(C)[C@H]2CC=C(CCOC(=O)c3sccc3-n3ccnn3)[C@@H]1C2 2325866064 ZPFQABXQHWWINU-KBPBESRZSA-N 343.452 3.868 0 50 EHAA CS[C@H]1C[C@@H](CNC(=O)c2cc(F)c(C(F)(F)F)c(F)c2)C1 2325869069 XXBGJDYFMXXWBD-OTSSQURYSA-N 339.329 3.855 0 50 EHAA O=C(Nc1ccc2c(c1)OCCO2)c1cc(F)c(F)cc1Cl 38106 JSAFZNSSVSZCBE-UHFFFAOYSA-N 325.698 3.642 0 50 EHAA Cc1cnc(NC(=O)CSc2ccc(Br)cc2)s1 469723 FILFZKOVLKBOSP-UHFFFAOYSA-N 343.271 3.945 0 50 EHAA CC(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 612112 AVSTUINDWWACCK-GOSISDBHSA-N 342.483 3.607 0 50 EHAA C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 2354083 DCELYKPYUMUWJN-JTQLQIEISA-N 337.206 3.809 0 50 EHAA O=S(=O)(Oc1ccccc1Br)c1ccc(Cl)cc1 3123745 ICWZOOSOVGFFDS-UHFFFAOYSA-N 347.617 3.870 0 50 EHAA CCCNC(=O)c1ccccc1NC(=O)c1ccccc1SC 4867977 SFRLNVAAEMJKOY-UHFFFAOYSA-N 328.437 3.801 0 50 EHAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)Nc1ccccc1F 6698716 IQHXHDGRYAQAIJ-UHFFFAOYSA-N 327.359 3.706 0 50 EHAA O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cccs1 6704012 YSUGGMJZLCODRY-UHFFFAOYSA-N 326.377 3.523 0 50 EHAA O=C(Nc1ncc(Cc2ccccc2)s1)[C@H]1Cc2ccccc2O1 9575741 GJCLSZLIQUFLIA-QGZVFWFLSA-N 336.416 3.676 0 50 EHAA CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)C(=O)c1ccco1 55090143 KMORVUZSLDNQRI-GOSISDBHSA-N 336.391 3.726 0 50 EHAA COC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 117680198 JLPPICQAWSOLCD-ROUUACIJSA-N 329.827 3.729 0 50 EHAA COc1ccc(-c2nnc(NC(=O)[C@H]3CCC(F)(F)C3)s2)cc1 332149535 PSVFCSICENVUJJ-JTQLQIEISA-N 339.367 3.588 0 50 EHAA C[C@@H]1CCCCN1C[C@H]1CCCN(c2nnc(C(F)F)s2)C1 252486150 FTFUAJAEUGQSQX-VXGBXAGGSA-N 330.448 3.567 0 50 EHAA COc1ccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)c(F)c1 12005536 ADDSUPUKLVXOBK-OAQYLSRUSA-N 343.442 3.652 0 50 EHAA c1ccc(-c2ccc(-c3nccn3CCCn3ccnc3)cc2)nc1 67789801 IVCDPALBOZEOOL-UHFFFAOYSA-N 329.407 3.899 0 50 EHAA CC(C)CCn1cccc1CNC[C@@H]1CCN(C)[C@H]1c1cccnc1 328626440 FBZIDAVJLYWRHH-FPOVZHCZSA-N 340.515 3.712 0 50 EHAA C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1cccc(-n2cccc2)c1 2803983 MQBIMLQMJADTGO-CQSZACIVSA-N 344.411 3.656 0 50 EHAA CC(C)(C(=O)N1CCO[C@H](c2ccccc2Cl)C1)c1ccccn1 253404866 USXWDYBSEFFQMR-INIZCTEOSA-N 344.842 3.613 0 50 EHAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1 257365706 HNSUYZLKWPXVPD-KSZLIROESA-N 341.430 3.643 0 50 EHAA N=C(O)C1(NC(=O)c2ccc(Cl)c3ncccc23)CCCCC1 332398910 ZMUUNLCRRDKOPD-UHFFFAOYSA-N 331.803 3.856 0 50 EHAA Cc1cc(C)nc(NC(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c1 126807115 KJUBQYFUJRKLBX-CYBMUJFWSA-N 337.383 3.631 0 50 EHAA Cc1ccc(C(C)(C)CN(C)CN2C(=O)SC(C)(C)C2=O)cc1 132705166 CHBYIVFEVNHTIT-UHFFFAOYSA-N 334.485 3.636 0 50 EHAA Clc1ccccc1-c1nn2c(CN3CCCCCC3)nnc2s1 49546871 XVRUIWAAAGJAJQ-UHFFFAOYSA-N 347.875 3.882 0 50 EHAA Cc1csc(C(=O)N2CCC[C@](O)(C(F)(F)F)CC2)c1Cl 287656565 BHWPDQGAZQMGPE-GFCCVEGCSA-N 341.782 3.629 0 50 EHAA O=C(CCc1ccc(F)c(F)c1)N1CCCC[C@@H]1CCn1ccnc1 82126864 GOPPFEGUPVVZPG-MRXNPFEDSA-N 347.409 3.565 0 50 EHAA c1cc(N2CCCCC2)ccc1-c1noc(CC[C@H]2CCOC2)n1 177323653 YPOOGCKAUFWTAW-HNNXBMFYSA-N 327.428 3.696 0 50 EHAA CN(C)c1ccccc1-c1ccc(C(=O)N(C)C2CCOCC2)cc1 426503516 NSEMOJCPHOCMMU-UHFFFAOYSA-N 338.451 3.671 0 50 EHAA Clc1ccccc1-c1nnc(CN2CCO[C@H]3CCCC[C@@H]32)o1 298760096 ZUTZGGSAHKQHEI-GJZGRUSLSA-N 333.819 3.533 0 50 EHAA C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CC(=O)O 257346216 VAPBKEAUXQVFHX-XNTISYABSA-N 348.483 3.516 0 50 EHAA O=C(Nc1cccc(-c2cnco2)c1)N[C@H]1COC2(CCCCC2)C1 299771544 TVRNMJNOKHSXIY-MRXNPFEDSA-N 341.411 3.955 0 50 EHAA O=C(C[C@@H]1CCCOC1)N1CCC(Oc2cccc(Cl)c2)CC1 299794361 KLCDBOUDQRQZAI-AWEZNQCLSA-N 337.847 3.527 0 50 EHAA O=C(NCc1ccc2ncccc2c1)N[C@@H](c1ccncc1)C1CC1 1343169411 FNAYXODTFIBIRF-LJQANCHMSA-N 332.407 3.580 0 50 EHAA CCn1c(C)cc2cc(NC(=O)CCc3c(C)nn(C)c3C)ccc21 952990450 WGQHZMHYBAJZKN-UHFFFAOYSA-N 338.455 3.891 0 50 EHAA CNC[C@@H](C)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 170677535 YALGCBFDAKOAOC-RDTXWAMCSA-N 330.859 3.596 0 50 EHAA COc1cc(F)cc(NC(=O)[C@](C)(CC(=O)O)C2CCCCC2)c1 170663901 IUUXJAITWCWEHY-GOSISDBHSA-N 337.391 3.834 0 50 EHAA O=C(c1ccc(C(F)(F)F)nc1)N(c1ccccc1)[C@H]1CCOC1 192064940 KSGBYXUNZUIDEP-AWEZNQCLSA-N 336.313 3.536 0 50 EHAA CCCCS(=O)(=O)c1ccc(C(=O)Nc2c(C)cccc2O)cc1 192442230 RWXRVGJKAYTKMX-UHFFFAOYSA-N 347.436 3.527 0 50 EHAA CCNC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 12465670 MFTOJNUSYWCNCL-IBGZPJMESA-N 336.435 3.978 0 50 EHAA O=C1CCN(C[C@H]2CC=CCC2)CCN1Cc1ccccc1Cl 14987153 ZYKWRMYMQNBVKK-INIZCTEOSA-N 332.875 3.731 0 50 EHAA Cc1cccc(-c2ncc(-c3nccn3[C@@H]3CCN[C@@H](C)C3)cn2)c1 1857697460 VULLNROPGFWZPT-MAUKXSAKSA-N 333.439 3.629 0 50 EHAA COCCc1nsc(Oc2ccc3c(C(C)C)cc(=O)oc3c2)n1 225543414 OLAFZZUQWOCZRQ-UHFFFAOYSA-N 346.408 3.749 0 50 EHAA Cc1nn(C)c(C)c1C(=O)Nc1ccccc1CN(C)c1ccccc1 252507397 WJVDSBXXCSPOGD-UHFFFAOYSA-N 348.450 3.926 0 50 EHAA O=C(O)c1ccc(CN2CCC(Oc3ccc(F)cc3F)CC2)cc1 263578190 SKKVKNPGWPCUEM-UHFFFAOYSA-N 347.361 3.706 0 50 EHAA C[C@H](C(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1 934360933 OABGKDNRHICCLK-SGMGOOAPSA-N 329.362 3.981 0 50 EHAA Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(F)c2occc12 935796191 VERXGIPQTXLVIW-MRXNPFEDSA-N 327.359 3.673 0 50 EHAA O=C(N=c1ccn([C@H]2CC2(F)F)[nH]1)Nc1ccc(F)cc1C1CC1 1875307183 WAADXVNNFQVMAI-ZDUSSCGKSA-N 336.317 3.546 0 50 EHAA C[C@H](c1ccc(C(F)(F)F)c(Cl)c1)N(C)C(=O)/C=C/CN(C)C 1875377372 YPMRYCPRHQPQGV-MVIFTORASA-N 348.796 3.996 0 50 EHAA CCn1nc(C)cc1C(=O)Nc1cnccc1-c1ccc(N(C)C)cc1 887268240 GLVUGTZHVXWVGG-UHFFFAOYSA-N 349.438 3.592 0 50 EHAA O=C(Nc1ccnn1Cc1ccc(Cl)s1)[C@@H]1C[C@H]1c1ccco1 888254777 YWNWLMUIYUJSFN-VXGBXAGGSA-N 347.827 3.982 0 50 EHAA CN(C)C[C@@H](c1ccccc1)N(C)C(=O)c1cc2sccc2[nH]1 2325781418 NPASEVUKQLEZMZ-INIZCTEOSA-N 327.453 3.604 0 50 EHAA CCOc1cc(CC[C@H](C)O)ccc1OCc1csc2cncn12 2325801379 FLWBKTCGFYJNHQ-ZDUSSCGKSA-N 346.452 3.687 0 50 EHAA O=C(c1ccccc1)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F 355598 RQMUVYNMGUGJSV-INIZCTEOSA-N 340.345 3.720 0 50 EHAA COc1cc(NC(=O)c2cccnc2Cl)ccc1NC(=O)C(C)C 566806 FQJKZWSRZBOQHM-UHFFFAOYSA-N 347.802 3.590 0 50 EHAA N=C(C[C@@H](O)COc1ccccc1-c1ccccc1)N1CCCCC1 2506518 HSVZQQYIMKLNLN-GOSISDBHSA-N 338.451 3.947 0 50 EHAA in-vitro COc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 3560973 ALSYFKDZRSGZKW-UHFFFAOYSA-N 325.286 3.775 0 50 EHAA CCCCC(=O)Nc1ccc(N2CCN(C(=O)C(C)(C)C)CC2)cc1 7387914 NSYNYGUWOJXMKI-UHFFFAOYSA-N 345.487 3.510 0 50 EHAA CCc1ccc(CN(CCOC)C(=O)C2(C(F)(F)F)CC2)cc1 55358087 ZJOVFXRTRIHDSB-UHFFFAOYSA-N 329.362 3.567 0 50 EHAA Cc1cc(=O)[nH]c(SCCOc2ccc(Cl)cc2Cl)n1 9034267 MIBFPKVFLXHPBQ-UHFFFAOYSA-N 331.224 3.556 0 50 EHAA Cc1nc(N2CCCC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 9420836 HEUCOGAMRJICLV-FVNWOWOISA-N 333.435 3.844 0 50 EHAA Cc1oc(-c2ccco2)nc1CN(C)C[C@H]1COc2ccccc2O1 55054213 KGUXJXPTRIPPAM-AWEZNQCLSA-N 340.379 3.515 0 50 EHAA CC[C@H](C)N(Cc1ccncc1)C(=O)C1(c2ccc(OC)cc2)CC1 55118759 MZAUKQCRVAAADT-INIZCTEOSA-N 338.451 3.949 0 50 EHAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@H]1CCC12CCCC2 350645042 BRAFOVLVSMKLDE-JTQLQIEISA-N 330.354 3.592 0 50 EHAA Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](C)c1cn2ccsc2n1 67675910 CQLBUXPITJFWTC-LBPRGKRZSA-N 338.436 3.605 0 50 EHAA CC(C)(C)c1cn(C[C@H]2CCCN(C(=O)C3CCCCCC3)C2)nn1 63884097 OKSSRQKYGJETEJ-INIZCTEOSA-N 346.519 3.785 0 50 EHAA CCCOC(=O)[C@H](C)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 252668793 FPESAWGUSMMFFI-GUYCJALGSA-N 345.418 3.694 0 50 EHAA Cc1cc(C[C@H](C)NCc2cnc(-c3ccccc3C)s2)[nH]n1 67871412 SFGHNNDNTULFMH-ZDUSSCGKSA-N 326.469 3.871 0 50 EHAA O=C(NCCC1=CCCCC1)c1ccc(-c2nnc(S)o2)cc1 122947577 LLMVGKMSAKMPIU-UHFFFAOYSA-N 329.425 3.646 0 50 EHAA Sc1nnc(CCC2CCCCC2)n1-c1ccc2c(c1)OCCO2 6402646 KLDPCSZTYQVITM-UHFFFAOYSA-N 345.468 3.840 0 50 EHAA CC(C)c1nnc2ccc(N3CCC(Cc4ccccc4)CC3)nn12 32072736 IYJLHICLSDTFBL-UHFFFAOYSA-N 335.455 3.707 0 50 EHAA CC(C)Oc1ccc(NC(=O)N2CCC(c3ccn[nH]3)CC2)c(F)c1 153157244 PFVOHMLAQYGYDQ-UHFFFAOYSA-N 346.406 3.748 0 50 EHAA c1ccc(-c2nnc(SC3CCOCC3)n2Cc2ccco2)cc1 128837175 ZEMHDRUHRICWHK-UHFFFAOYSA-N 341.436 3.858 0 50 EHAA COc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1CN1CCCC1 215178456 RAYXAAPSIYSZHC-KRWDZBQOSA-N 339.483 3.879 0 50 EHAA C[C@@H]1C[C@@H](c2cccs2)CN1CC(=O)N(C)Cc1cccs1 369653732 AXZIGDBLADZHPE-ZIAGYGMSSA-N 334.510 3.646 0 50 EHAA CC(C)[C@@H]1CN(Cc2ccc(O)c(Cl)c2)CCCN1CC1CC1 71721286 CYJPZVRURVGRHE-SFHVURJKSA-N 336.907 3.988 0 50 EHAA CN1CC[C@@H](CNc2ccnc3c(F)cccc23)[C@@H]1c1cccnc1 377996927 VNCJDDGPMKQBGU-YWZLYKJASA-N 336.414 3.874 0 50 EHAA Cc1ccc2oc(C(=O)N3CC(N4CCCC[C@H]4C)C3)c(C)c2c1 77377219 NIXRCKBFBOBEAB-CQSZACIVSA-N 326.440 3.748 0 50 EHAA CC(C)[C@@H]1CN(C(=O)N2CCCC2)CCCN1Cc1ccc(F)cc1 71762476 FKXINGHCSKDZKK-IBGZPJMESA-N 347.478 3.574 0 50 EHAA CCNc1nc(C)c(C(=O)N2CCCC[C@@H]2c2ccccn2)s1 214965086 CRAIYPVJCJRUHO-CQSZACIVSA-N 330.457 3.646 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](COc3ccccc3F)C2)ccc1O 72457788 ZEUGLLZPAUOCMO-OAHLLOKOSA-N 343.398 3.771 0 50 EHAA CCOC(=O)c1cn(Cc2ccc(C)cc2C)c2c1C(=O)CCC2 45796229 XILGYELQUGXDFZ-UHFFFAOYSA-N 325.408 3.849 0 50 EHAA Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 226373833 VVJVCZBSCKIORM-GWNIPJSYSA-N 331.382 3.712 0 50 EHAA CC1(C)CN(C(=O)c2cc(Cl)cnc2O)C[C@H]1c1ccccc1 426628764 MUUCYLOVEYWSEU-HNNXBMFYSA-N 330.815 3.706 0 50 EHAA Cc1ccccc1-n1cc(CN2CCC(Cn3ccnc3C)CC2)cn1 97732553 BYPDAUFQFDSREU-UHFFFAOYSA-N 349.482 3.598 0 50 EHAA CCn1nc(NC(=O)N2CCc3c(F)ccc(F)c3C2)cc1C1CC1 267916897 WSUNJPZNKHKQGB-UHFFFAOYSA-N 346.381 3.649 0 50 EHAA CS(=O)(=O)c1cc(C(=O)N(c2ccccc2)C2CCCC2)cs1 163338476 FUUSMFYRNIDLCR-UHFFFAOYSA-N 349.477 3.741 0 50 EHAA O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@]2(CCOC2)C1 184389693 VIAKDPBRHLJBFU-HNNXBMFYSA-N 346.761 3.586 0 50 EHAA COCc1noc(CN2CCCCC[C@H]2/C=C/c2cccs2)n1 181959206 YRKOYEQLMBSWOG-VFNNOXKTSA-N 333.457 3.736 0 50 EHAA Cc1ccc(N[C@@H](C)c2nc3ccccc3o2)cc1NS(C)(=O)=O 182436587 NRNNCBFIUGRWSG-LBPRGKRZSA-N 345.424 3.681 0 50 EHAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 253614938 LKQDFQLSEHWIRK-IZDNXZLZSA-N 334.500 3.710 0 50 EHAA CC[C@@](C)(CCNC(=O)c1ccncc1F)c1ccccc1OC 534578227 GUADNNZRVCXGQU-IBGZPJMESA-N 330.403 3.717 0 50 EHAA CCc1nccn1CCC(=O)N[C@H](C)CC12CC3CC(CC(C3)C1)C2 299766741 FDVNBXKGLNXJOW-NEFAXPCMSA-N 343.515 3.947 0 50 EHAA COCC(C)(C)c1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299795079 KSFQHHYWCCRSGJ-BBWFWOEESA-N 341.455 3.687 0 50 EHAA Clc1ccc2c(c1)CN(Cc1cnc(-c3ccco3)nc1)CCO2 952985715 CUFGRMPYBXQAOA-UHFFFAOYSA-N 341.798 3.785 0 50 EHAA Cc1cccc(OC2CN(C(=O)[C@@H](C)Oc3cccc(Cl)c3)C2)c1 952970411 IFYXATUJKRCQDA-CQSZACIVSA-N 345.826 3.706 0 50 EHAA CC[C@H]1C=CCN1C(=O)c1ccc(CSc2nc(C)cc(C)n2)o1 952987917 METOCMBYUXPDQC-AWEZNQCLSA-N 343.452 3.769 0 50 EHAA Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCOC3)cn2)cc1C 170793687 GATGMPMQOJLZOO-HNNXBMFYSA-N 326.396 3.856 0 50 EHAA Cc1ccc(-c2ncccc2NC(=O)N[C@@H]2CCCOCC2)s1 189462102 KEKHEQNUPIAQQY-CYBMUJFWSA-N 331.441 3.809 0 50 EHAA CN1CCCN(C(=O)CCc2ncc(C(C)(C)C)o2)c2ccccc21 193671666 KVWBJAOUQSNSHB-UHFFFAOYSA-N 341.455 3.778 0 50 EHAA Cc1cc(Br)ccc1NC(=O)c1ccccc1C(=O)O 398708 XZZHVJZAEOYJCP-UHFFFAOYSA-N 334.169 3.708 0 50 EHAA Fc1ccc(F)c(CN2C[C@@H]3CNC[C@@]3(CCc3ccccc3)C2)c1 1772711958 YYSAUXRNMVBKDH-RXVVDRJESA-N 342.433 3.619 0 50 EHAA CC(C)Cc1cn[nH]c1[C@H]1CCCN(C(=O)Cc2cccs2)C1 11784603 IMASAZLVEKXEQK-AWEZNQCLSA-N 331.485 3.618 0 50 EHAA CCOc1cccc(C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)c1 12404306 JZOPVYFBPQLDIU-UHFFFAOYSA-N 340.423 3.820 0 50 EHAA CCOc1cccc(C(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1 12406144 SJMPNXHEUZBJKI-UHFFFAOYSA-N 340.423 3.820 0 50 EHAA CCOc1c(Cl)cc(C(=O)NCc2ccccn2)cc1Cl 16606206 FLTDNAVXTVYABF-UHFFFAOYSA-N 325.195 3.717 0 50 EHAA O=C(Cc1cccs1)Nc1ccccc1C(=O)Nc1nccs1 16648316 ANPNXHZBCYUKIH-UHFFFAOYSA-N 343.433 3.638 0 50 EHAA CC(C)(C)[C@H]1CN(Cc2nc(C3CC3)no2)C[C@@H](c2ccccc2)O1 1857712948 OUGGPFXBBCZGKG-DLBZAZTESA-N 341.455 3.935 0 50 EHAA CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 586488 AHRWWYGWQKBKBF-MUGXHADPSA-N 330.468 3.982 0 50 EHAA biogenic,in-vitro c1ccc(CN(Cc2cnc(C3CC3)s2)[C@@H]2CCCNCC2)nc1 328626052 DTSTWOWAZRIUMV-QGZVFWFLSA-N 342.512 3.560 0 50 EHAA C[C@@H](CNC(=O)C1(F)CCC(F)(F)CC1)Oc1ccccc1F 1875280508 QBMDAVPZHFINKF-NSHDSACASA-N 333.325 3.627 0 50 EHAA C[C@@H](Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1cc2n(n1)CCCC2 886808345 IAIFNPORUOGLAL-KDOFPFPSSA-N 338.455 3.734 0 50 EHAA CC[C@@H](C)Nc1cc(C)nc2cc(-c3ccc(OC)c(OC)c3)nn12 15670895 SPSXQULKKZELGN-GFCCVEGCSA-N 340.427 3.932 0 50 EHAA CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCC2 86588 GFBUPZSXGFVZQF-UHFFFAOYSA-N 333.384 3.805 0 50 EHAA Cc1cccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c1C 95683 WOJJSROQKBREDM-MRXNPFEDSA-N 326.421 3.745 0 50 EHAA O=C(O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 167468 WUPWHEKPOBYAMX-UHFFFAOYSA-N 349.190 3.618 0 50 EHAA O=C(Nc1ccccc1Cl)NS(=O)(=O)c1ccccc1Cl 186097 VROURPPJPITTSP-UHFFFAOYSA-N 345.207 3.504 0 50 EHAA O=S(=O)(Nc1nc2ccccc2s1)c1cccc2cccnc12 271820 JFRWRNHOJWVDLQ-UHFFFAOYSA-N 341.417 3.645 0 50 EHAA C[C@@H](C(=O)Nc1cccc(F)c1)[C@@H]1Sc2ccccc2NC1=O 1062424 WCLMPKKJYMNGQI-BMIGLBTASA-N 330.384 3.513 0 50 EHAA CCOC(=O)c1cccc(NC(=O)Nc2cc(OC)ccc2OC)c1 2852742 OMMCQTBEGCYASY-UHFFFAOYSA-N 344.367 3.525 0 50 EHAA COc1ccc(-c2nnc(SCCOc3ccccc3)n2C)cc1 3568886 WCHJTODFSSVOJZ-UHFFFAOYSA-N 341.436 3.662 0 50 EHAA C[C@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(F)cc2)C1 4600037 WIUSYAYXJVNHHI-AWEZNQCLSA-N 340.398 3.950 0 50 EHAA COc1ccc(CNn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1C 6556825 GJYKNZRUBKBXGY-UHFFFAOYSA-N 340.452 3.977 0 50 EHAA O=C1CN(C(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2N1 6702959 GIDLBISASXXUMS-UHFFFAOYSA-N 328.371 3.953 0 50 EHAA Cc1ccc(CNCc2ccc(OCC(=O)NC(C)(C)C)cc2)cc1 7538002 YTOSXKGXDURRKC-UHFFFAOYSA-N 340.467 3.578 0 50 EHAA CCOC(=O)c1cnn(CC(F)(F)F)c1-c1ccc(Cl)cc1 8699848 QLIHNMATWYOZIC-UHFFFAOYSA-N 332.709 3.943 0 50 EHAA Cc1cccc(OCCCC(=O)/N=c2\[nH]c3ccccc3s2)c1 9090152 PYDNGMUSRMMOSB-UHFFFAOYSA-N 326.421 3.824 0 50 EHAA O=C(Nc1ncc(Cc2ccccc2)s1)[C@@H]1Cc2ccccc2O1 9575739 GJCLSZLIQUFLIA-KRWDZBQOSA-N 336.416 3.676 0 50 EHAA CCCCC(=O)Nc1ccc(NC(=O)CC[C@@H]2CCCN(C)C2)cc1 55166239 NJTOCDAMRJYISW-INIZCTEOSA-N 345.487 3.876 0 50 EHAA O=C(Nc1cccc(Oc2ccccn2)c1)[C@@H]1CCCc2[nH]ncc21 134441468 VEJYFHSMSZNHIA-OAHLLOKOSA-N 334.379 3.656 0 50 EHAA CCCc1nc(C(=O)N2CCc3[nH]nc(CC(C)(C)C)c3C2)cs1 20600321 MBGTYNIJFSEARE-UHFFFAOYSA-N 346.500 3.606 0 50 EHAA Cc1cccc(-c2ccc(N3CCC(NCCCCO)CC3)cc2)c1 20233683 HALNIZOHEQSJII-UHFFFAOYSA-N 338.495 3.993 0 50 EHAA c1ccc(COc2cccc(CN3CCC[C@@H](c4ccn[nH]4)C3)c2)nc1 179856781 RWNXJQBUPCWAMM-GOSISDBHSA-N 348.450 3.763 0 50 EHAA Cc1c(C(=O)NC[C@@H](C)Oc2ccccc2F)cnn1C1CCCC1 122973572 LPTVIEWBVSWARO-CYBMUJFWSA-N 345.418 3.643 0 50 EHAA Cc1ccccc1CCN1CCC[C@H](CN(C)Cc2cccnc2)C1 11937758 ZMYBSFFDIIGADH-OAQYLSRUSA-N 337.511 3.777 0 50 EHAA Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(-c2ccco2)on1 153261069 KEXPKRNWSBOQHD-LLVKDONJSA-N 342.399 3.686 0 50 EHAA Cc1cc2ncc(C(=O)N3CC(C)(C)[C@H]3c3cccs3)c(C)n2n1 289049094 RETWKNZWGGCLII-MRXNPFEDSA-N 340.452 3.631 0 50 EHAA CCCCn1nc(C)c2[nH]c(-c3ccccc3Cn3cccn3)nc21 19227942 ORWVPKPWDUHMIY-UHFFFAOYSA-N 334.427 3.780 0 50 EHAA COc1ccc(CN(C)Cc2scnc2C)c(Cl)c1OC 179429774 WBBYKUOLPBAJRC-UHFFFAOYSA-N 326.849 3.754 0 50 EHAA CCN(CC(F)(F)F)C(=O)N[C@H](C)c1cnn(-c2ccccc2)c1 426370771 YUTFFROYOQTEFT-GFCCVEGCSA-N 340.349 3.527 0 50 EHAA O=C([C@H]1CCc2ccccc21)N1CCC(c2nccn2CC2CC2)CC1 95523729 ZSWHYROSRDJCSW-FQEVSTJZSA-N 349.478 3.729 0 50 EHAA COc1cc(CN2CCC3(C=Cc4ccccc43)CC2)cc2c1OCO2 23279637 CQSNAAHALWCZHT-UHFFFAOYSA-N 349.430 3.985 0 50 EHAA biogenic Cc1nn(C)cc1CNC(=O)c1ccc(-c2ccccc2Cl)o1 91663354 LOHSSHMKCPHPNG-UHFFFAOYSA-N 329.787 3.572 0 50 EHAA CC(=O)c1cc(CC(=O)N2CCCC[C@@H]2c2cccnc2)cs1 97784859 GBWQMVFERPKZLO-MRXNPFEDSA-N 328.437 3.642 0 50 EHAA CSc1ncc(-c2nc(C3CC3)nn2C2Cc3ccccc3C2)cn1 96151993 URBNJLQLUWLVGY-UHFFFAOYSA-N 349.463 3.674 0 50 EHAA CC(C)n1nccc1NC(=O)NCc1cc(F)cc(C(F)(F)F)c1 95512045 KVHYTMQLCCCJHA-UHFFFAOYSA-N 344.312 3.944 0 50 EHAA C[C@H](CC(=O)NCC1(c2ccccc2F)CCCC1)n1ccnc1 299770931 OBTYOBPIEUFVIG-OAHLLOKOSA-N 329.419 3.602 0 50 EHAA CC(C)Cc1cn[nH]c1[C@@H]1CCCN(Cc2ccc3c(c2)CCO3)C1 299765367 FZJBUSCHSSQGBL-GOSISDBHSA-N 339.483 3.923 0 50 EHAA COc1ccccc1Oc1ccc(NC(=O)N2C[C@H]3CC[C@H]2C3)cn1 299767097 DVHFRCFTXUTWJB-ZFWWWQNUSA-N 339.395 3.899 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)CSc2cn(C)c3ccccc23)cn1 670462559 KCMWUKBUIXJWRJ-CQSZACIVSA-N 339.464 3.851 0 50 EHAA CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1cccnc1 670455426 VEFKVFZFONFETG-GFCCVEGCSA-N 344.889 3.862 0 50 EHAA CC(=O)N1CC2=Nc3cccc4c3c(cn4C)[C@@H](c3ccco3)C2=C1O 888089275 RSFSSKMLDSZNJT-SFHVURJKSA-N 347.374 3.621 0 50 EHAA CN(CCCOc1ccccc1Cl)Cc1ccc(CCN)cc1 952962633 HICUHKIVGMNLPT-UHFFFAOYSA-N 332.875 3.742 0 50 EHAA C[S@@](=O)Cc1cc(NCc2cccc3cn[nH]c23)ccc1Cl 170594045 VAQIHLSFJQFORV-JOCHJYFZSA-N 333.844 3.707 0 50 EHAA CCOC(=O)CCCCN(CC(OCC)OCC)c1ccccc1 170598200 SBQXNEBUPNDGSF-UHFFFAOYSA-N 337.460 3.626 0 50 EHAA CC(C)n1ncnc1CN1CCC[C@@H](c2nc3c(s2)CCCC3)C1 280009922 LREBBLXTRMFKKL-CQSZACIVSA-N 345.516 3.574 0 50 EHAA CC(C)c1cc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)n[nH]1 273610874 VTKRLUPZTJINAY-CRAIPNDOSA-N 345.418 3.665 0 50 EHAA O=C(O)C1CCC(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)CC1 684771933 QYVSPQCQTLMETO-LEOMRAHMSA-N 347.430 3.640 0 50 EHAA CC1CCN(Cc2ccc(C(=O)Nc3cnn(C(C)C)c3)o2)CC1 1506406327 GVLSCXMNPWJTKT-UHFFFAOYSA-N 330.432 3.541 0 50 EHAA COc1cc(-c2onc(N(C)CCC(C)C)c2C(=O)O)ccc1F 1704353546 OTRAOYRXTCWMMB-UHFFFAOYSA-N 336.363 3.670 0 50 EHAA Nc1ncc(-c2ccc(-c3ccc(O)c(OC(F)(F)F)c3)cc2)[nH]1 1772809932 AFYPNQKSRCOWJD-UHFFFAOYSA-N 335.285 3.930 0 50 EHAA CCOC(=O)C(CCCCCOc1ccc(F)cc1)C(=O)OCC 5325073 BXIQGBFARXZDCQ-UHFFFAOYSA-N 340.391 3.507 0 50 EHAA CCN(CCO)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 11816606 QVWHFQDAZANZAA-UHFFFAOYSA-N 349.478 3.970 0 50 EHAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)c1ccoc1 12704780 APDUQNUXABWATK-AWEZNQCLSA-N 342.443 3.640 0 50 EHAA Cc1nc(-c2nccn2CC[C@@H]2CCCN3CCCC[C@H]23)n(C)c1C 1857696746 AZCZOVQJNZNWFM-ZWKOTPCHSA-N 341.503 3.555 0 50 EHAA COc1ccc(C(=O)NCC2(c3ccccc3)CC2)c(OC(F)F)c1 241776807 RSUAFZXLDPDHNH-UHFFFAOYSA-N 347.361 3.758 0 50 EHAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(Cc1cc(CN(C)C)cs1)C2 248069254 ANTLEGXXQKJRFO-MJGOQNOKSA-N 347.572 3.672 0 50 EHAA O=C1CCCc2occ(C(=O)N3CCCCC[C@H]3C(F)(F)F)c21 906191325 JEHALUWNYSHYEL-ZDUSSCGKSA-N 329.318 3.746 0 50 EHAA Cc1sc2nc(-c3cccnc3)nc(N(C)CC[C@H](C)O)c2c1C 1875260709 ACZBBBDRGWFRMV-NSHDSACASA-N 342.468 3.577 0 50 EHAA c1ccc(CN2CC[C@@H](Sc3nc(-c4cccs4)n[nH]3)C2)cc1 2325751930 CCCSBBKBKHFRGT-CQSZACIVSA-N 342.493 3.900 0 50 EHAA C[C@]1(NCc2coc(-c3ccccc3C(F)(F)F)n2)CCC[C@H]1O 2325798740 VALCAFSTQLOMSR-ZBFHGGJFSA-N 340.345 3.754 0 50 EHAA Cc1ccc(-c2cc(-c3ccccc3)nc(N3CCOCC3)n2)cc1 275582 WGFUJHNKIQAVNE-UHFFFAOYSA-N 331.419 3.956 0 50 EHAA COc1cc(C)ccc1S(=O)(=O)Oc1cccc2ccc(C)nc12 1883809 JMBVQGJTJKRMST-UHFFFAOYSA-N 343.404 3.628 0 50 EHAA O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccccc1 2592943 YCYJBMZQCDSARV-UHFFFAOYSA-N 330.767 3.729 0 50 EHAA CCc1ccc(C(=O)COC(=O)CCC(=O)c2ccc(C)cc2)cc1 2989562 KBFZPAHHZMWLGT-UHFFFAOYSA-N 338.403 3.946 0 50 EHAA CCOc1ccc(Br)cc1C(=O)Nc1ncc(C)s1 4520050 NZVIYYMHJWYPGG-UHFFFAOYSA-N 341.230 3.865 0 50 EHAA O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC[C@]12CCCNC2=O 2356168522 HJSIFCITOVRJSR-NRFANRHFSA-N 349.434 3.630 0 50 EHAA O=c1c2ccccc2ncn1CCCOc1cccc(C(F)(F)F)c1 4841782 FHAKESRVOQYVFC-UHFFFAOYSA-N 348.324 3.884 0 50 EHAA C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 4857449 CWTQLDAXKWUWQL-SNVBAGLBSA-N 337.206 3.809 0 50 EHAA COc1ccc2c(C)cc(N3CCN(c4ccccc4)CC3)nc2c1 4982166 CXQUYSCFMHCDAP-UHFFFAOYSA-N 333.435 3.878 0 50 EHAA CSc1cccc(CN(C)C(=O)Nc2nc(C)n(C(C)C)n2)c1 55413844 GZPUQNWLOBIMMA-UHFFFAOYSA-N 333.461 3.553 0 50 EHAA CCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)cc2OC)c1 8071821 QPJLCPQWBQUSMJ-UHFFFAOYSA-N 342.395 3.695 0 50 EHAA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccs1 8690269 DWNFGSHYXMLWFM-INIZCTEOSA-N 339.420 3.950 0 50 EHAA Cc1cccc(-c2ncc(CNC[C@@H]3OCCc4ccccc43)cn2)c1 55168054 RWMJREYJGSHRPW-NRFANRHFSA-N 345.446 3.856 0 50 EHAA Cc1ccc([C@H]2CCCN2C(=O)c2cc(C)nc3c2c(C)nn3C)cc1 248016755 GPTWROMXSCRMLO-GOSISDBHSA-N 348.450 3.871 0 50 EHAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2nnc(S)o2)cc1 248433726 XRHQSRYYCWJTQD-KCPJHIHWSA-N 343.452 3.819 0 50 EHAA CC(C)CN(Cc1cccs1)C(=O)c1cccc(NCC(=O)O)c1 55100324 ACUDGWUDBSXUPD-UHFFFAOYSA-N 346.452 3.543 0 50 EHAA CCCO[C@H]1CCCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)C1 67110293 DBAFLEQVJHVEIA-IBGZPJMESA-N 341.455 3.520 0 50 EHAA c1ccc2c(c1)CCSC[C@H]2NCc1ccc(C2OCCO2)cc1 252496736 PQLGTXVMUYZZAX-LJQANCHMSA-N 341.476 3.852 0 50 EHAA O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)C1=CCCC1 11844609 RBLBMVRXIOIIJR-MRXNPFEDSA-N 325.387 3.615 0 50 EHAA Cc1n[nH]c(-c2ccc(-n3ccnc3-c3ccnc(C(C)C)n3)cc2)n1 67955991 UBYMLRUNRKBOPS-UHFFFAOYSA-N 345.410 3.546 0 50 EHAA COc1ccc(CN2CCC[C@H](Nc3cccc(F)c3)C2)cc1O 12197631 CONJAXNQFKZCBF-KRWDZBQOSA-N 330.403 3.616 0 50 EHAA COc1ncccc1-c1csc(-c2cccc(NC(C)=O)c2)n1 253416432 CFQUTJRPXCJKMX-UHFFFAOYSA-N 325.393 3.839 0 50 EHAA CCn1nc(C)c(C(=O)N(CCCOC)Cc2ccc(C)cc2)c1C 214948454 JWJGKXSIFXMOLT-UHFFFAOYSA-N 343.471 3.507 0 50 EHAA COc1ccc2cc([C@H]3CN(c4ccncc4F)CCO3)ccc2c1 71575902 VHCILXNQZYZVJW-HXUWFJFHSA-N 338.382 3.960 0 50 EHAA Cc1ccccc1-c1noc(-c2ccc(NC3CCOCC3)nc2)n1 39448064 SMLRDCNQEZAHPB-UHFFFAOYSA-N 336.395 3.698 0 50 EHAA Cc1ccc2nc(C)c(C(=O)N3CC(N4CCCC[C@@H]4C)C3)cc2c1 215832960 UQHIBCXQULGCGA-HNNXBMFYSA-N 337.467 3.550 0 50 EHAA C[C@@]1(O)CCN(C(=O)C2(c3ccccc3)CC2)C[C@@H]1Cc1ccccc1 72157024 LGWPZFKSRIHUQW-RBBKRZOGSA-N 349.474 3.560 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N[C@H](C)Cc3cncs3)c2c1 77406262 YMHCFOYALCNGIP-GFCCVEGCSA-N 339.464 3.923 0 50 EHAA CCn1cc(CN2CCC[C@@H](COc3cccc(OC)c3)C2)c(C)n1 72150941 XGNWUIFTZLANPH-QGZVFWFLSA-N 343.471 3.511 0 50 EHAA Cc1cccc(-c2nc3cc4c(cc3cc2CN2CC(O)C2)CCC4)c1 72433328 XQCNXVYUYMVSSH-UHFFFAOYSA-N 344.458 3.875 0 50 EHAA COc1cccc(OC[C@H]2CCCN(c3nc(C)nc(C)c3C)C2)c1 77356983 VOLFKTAMAWPAAT-KRWDZBQOSA-N 341.455 3.706 0 50 EHAA Cc1c(NC(=O)c2ccc3c(c2)NC(=O)CO3)sc2c1CCCC2 174390126 JVNUJUGTTBMOGE-UHFFFAOYSA-N 342.420 3.519 0 50 EHAA CC[C@H](NC(=O)N1CCC[C@H]1Cn1ccnc1C)c1cccs1 175945999 TXRAQFFTGJQPJP-GJZGRUSLSA-N 332.473 3.578 0 50 EHAA CCOC(=O)C=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20218508 GXCHGMIEDRGPIS-UHFFFAOYSA-N 348.752 3.844 0 50 EHAA COc1cc(F)c(-c2nc3c(cnn3Cc3cccs3)[nH]2)c(F)c1 48148140 MSNGXUZFNGKPDC-UHFFFAOYSA-N 346.362 3.823 0 50 EHAA Cn1ccc2c(C(=O)N3CC(Oc4ccccc4Cl)C3)cccc21 95383514 QFTLWSJZYSFUIV-UHFFFAOYSA-N 340.810 3.735 0 50 EHAA O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1C[C@H](CO)c2ccccc21 293900097 LLGXBQIIOWXJFR-OAHLLOKOSA-N 346.430 3.783 0 50 EHAA COC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)O 245242313 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1333766957 KFKLEUZJMVQRCD-LBPRGKRZSA-N 333.338 3.613 0 50 EHAA CC[C@@H](Cn1ccnc1)NCc1cnc(-c2ccccc2OC)s1 952965044 BLXXYJYMQWDUGN-AWEZNQCLSA-N 342.468 3.584 0 50 EHAA Cc1n[nH]cc1CNC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 274677420 ZENCSVCYJAILIM-GFCCVEGCSA-N 335.477 3.509 0 50 EHAA Cc1ccc(CN[C@H]2CC(C)(C)OC2(C)C)c(-n2cc(Cl)cn2)n1 191534486 PNSPQKNLVSUYFM-HNNXBMFYSA-N 348.878 3.665 0 50 EHAA CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)[C@H]1CC12CCC2 676590326 VLMXYENRFWFTHT-GFCCVEGCSA-N 342.361 3.564 0 50 EHAA Cc1nn(C)c(NC(=O)[C@@H](C)N2CCCCCC2)c1-c1ccccc1 1529090991 MARFCHUQSGDAPC-MRXNPFEDSA-N 340.471 3.599 0 50 EHAA CC[C@H](Cc1ccco1)N1CCCN(C(=O)c2cccs2)CC1 1772817943 JWKNUXWJNYVPKN-OAHLLOKOSA-N 332.469 3.510 0 50 EHAA C[C@H](Oc1ccccc1Br)C(=O)NCc1ccccc1 12380689 WACVYHXYVRMMQU-LBPRGKRZSA-N 334.213 3.533 0 50 EHAA Cc1ccc(CN2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)s1 12429981 VWWJAYJVECUUSL-OAHLLOKOSA-N 330.453 3.862 0 50 EHAA Cc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 13494899 MVYCLZHZVTXJLZ-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA O=C(c1cscn1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 14970850 ZFCRXVJFXMQBCQ-LBPRGKRZSA-N 336.407 3.906 0 50 EHAA CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C 16649760 KPCYRKPUGIMCOD-UHFFFAOYSA-N 342.487 3.934 0 50 EHAA O=c1c2ccccc2nc2sc(-c3csc4c3CCCC4)nn12 17071128 PGPMFIQSYIMFPX-UHFFFAOYSA-N 339.445 3.912 0 50 EHAA COc1ccc(NC[C@@]2(c3ccc(F)cc3)CCOC2)cc1OC 19853782 ARHXGPNHFREHPC-IBGZPJMESA-N 331.387 3.613 0 50 EHAA CC(=O)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3Cl)cc21 206062055 IQGZOUDZZCSPEM-UHFFFAOYSA-N 343.814 3.631 0 50 EHAA Cc1cc(Cl)cc2[nH]c(C(=O)N3CCC([C@H](C)CO)CC3)cc12 1857531180 HODWKFUBMJFDPD-GFCCVEGCSA-N 334.847 3.610 0 50 EHAA CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(C)(C)C 1200214472 WFXGUWNRAANPDC-UHFFFAOYSA-N 327.490 3.850 0 50 EHAA Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)Cc1ccc(Cl)cc1 1259243788 RTVORLFVDXSIQK-QGZVFWFLSA-N 335.856 3.755 0 50 EHAA Fc1ccc(Cn2cc(OCc3nc4c(s3)CCCC4)cn2)cc1 1875328027 VFJLSNHCVJWCDM-UHFFFAOYSA-N 343.427 3.985 0 50 EHAA CCOc1c(Cl)cc(-c2nnc([C@H]3CCCOC3)o2)cc1OC 886048201 YJYAGRGQBIFNSI-JTQLQIEISA-N 338.791 3.691 0 50 EHAA O=C(c1ccc(C(F)(F)F)nc1F)N1CCC2(CC1)CC2(F)F 1775998378 AYEOKYMVHJLHTC-UHFFFAOYSA-N 338.251 3.501 0 50 EHAA CC(C)C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)O 2325820732 VBYWTJOJAONSKV-MBOZVWFJSA-N 331.456 3.651 0 50 EHAA c1ccc(-n2ncc(CCN[C@@H]3CCSc4ccccc43)n2)cc1 2325857023 MHORBMVBFLDBRA-GOSISDBHSA-N 336.464 3.637 0 50 EHAA Clc1ccc(CN2CCC(c3cnn[nH]3)CC2)c2ccccc12 2325859800 LDFYPUNOFSXDTG-UHFFFAOYSA-N 326.831 3.991 0 50 EHAA O=C(c1c(Br)cccc1Br)C(F)(F)F 40571864 FRZOSCFUJMAIEM-UHFFFAOYSA-N 331.913 3.957 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1C 122594 BLWIJXSQDXBOOZ-UHFFFAOYSA-N 347.798 3.843 0 50 EHAA C[C@H]1CCc2c(sc3ncn(Cc4ccc(F)cc4)c(=O)c23)C1 144641 TUUTVCPTEHSSBF-NSHDSACASA-N 328.412 3.770 0 50 EHAA COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@@H]1c1ccccc1F 439616 CIESTXHIUOKQBG-FXAWDEMLSA-N 338.382 3.704 0 50 EHAA CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(C)s2)c2ccccc21 4554919 UGRQTDCQFRIVER-IBGZPJMESA-N 343.448 3.664 0 50 EHAA COC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 4809179 VMBUEMASGGOONT-UHFFFAOYSA-N 347.436 3.508 0 50 EHAA COc1ccccc1CNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 4842974 GXECTXCNKFYZJI-ZDUSSCGKSA-N 333.815 3.741 0 50 EHAA CCOc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 6747387 UVUIWFFNJXNDHM-UHFFFAOYSA-N 338.407 3.574 0 50 EHAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 59740400 QXBJHHYCXUDMIQ-LLVKDONJSA-N 340.826 3.702 0 50 EHAA C[C@H](c1ccccn1)N(C)Cc1c(-c2ccccc2)nc2ncccn12 67973693 BJUWBAPLVKOJSB-MRXNPFEDSA-N 343.434 3.984 0 50 EHAA C[C@@H]1[C@@H]2CCCN2CCN1Cc1cccc(OCc2ccccc2)c1 22078354 WDSDWHQNSMKURR-GCJKJVERSA-N 336.479 3.934 0 50 EHAA Cc1cnn(CCNC(=O)N2CCc3cc(-c4ccccc4)ccc32)c1 141230101 PTJLDHNXQKCOFA-UHFFFAOYSA-N 346.434 3.631 0 50 EHAA C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NCc1cccc(C(F)(F)F)c1 252474822 MXHYBCGJPJFMNM-JHJVBQTASA-N 328.378 3.583 0 50 EHAA CCOc1ccc([C@@H]2CC(=O)Nc3cc(OC)cc(OC)c32)cc1 4488979 IWBJOGSBLUZJBV-HNNXBMFYSA-N 327.380 3.577 0 50 EHAA O=c1cc(O)c2sc3nc(C(F)(F)F)cc(C4CC4)c3c2[nH]1 5813559 ANDSLDADBVQUAM-UHFFFAOYSA-N 326.299 3.740 0 50 EHAA COC(=O)c1c(NC(=S)Nc2cc(C)ccn2)sc2c1CCC2 6614826 JIDDFCDPQUANKN-UHFFFAOYSA-N 347.465 3.536 0 50 EHAA CC(C)c1ncncc1C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C 253431278 UYLAWAHNHVJSTE-UKRRQHHQSA-N 327.403 3.757 0 50 EHAA COc1ccc(-c2nnc(NC(=O)[C@@H]3CCC(F)(F)C3)s2)cc1 332149539 PSVFCSICENVUJJ-SNVBAGLBSA-N 339.367 3.588 0 50 EHAA O=C(C[C@@H]1CCc2ccccc2C1)N=c1nc(-c2ccccc2)[nH]s1 480075671 VCVLZRABSKXZCS-CQSZACIVSA-N 349.459 3.761 0 50 EHAA O=C(O)[C@@]1(Cc2ccc(F)cc2)CCCN(c2ccc(Cl)cn2)C1 71764687 ZPMAHVKFJIDBTR-GOSISDBHSA-N 348.805 3.788 0 50 EHAA CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1 72116090 KJWBBDUMFRMQDL-MRXNPFEDSA-N 325.412 3.871 0 50 EHAA COc1cc(OC)c(CN2CCC([C@H](O)C(C)C)CC2)cc1Cl 215130222 SEQFGJRBLLSDNG-GOSISDBHSA-N 341.879 3.586 0 50 EHAA Cc1cccc2cc(C(=O)N3CCC([C@H](O)CC(C)C)CC3)n(C)c12 77505822 PJWQBGNLQIFVNL-LJQANCHMSA-N 342.483 3.746 0 50 EHAA C[C@@H]1CN(C(=O)c2ccc(F)cc2C(F)(F)F)c2cccnc2O1 158762371 YMOJXROWFQOCQH-SECBINFHSA-N 340.276 3.667 0 50 EHAA CC[C@H]1COCCN1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 446876942 WCMABRACFJKNDM-PWSUYJOCSA-N 331.243 3.875 0 50 EHAA Cc1noc([C@H]2CCCCN2Cc2ccc(CCC(C)(C)O)cc2)n1 72430539 PMGRPJZHXWZROH-GOSISDBHSA-N 343.471 3.809 0 50 EHAA COc1ccccc1[C@H]1CCN(Cc2cc3ccccc3nc2O)C1 157971801 UREFOOBEQNXEKY-INIZCTEOSA-N 334.419 3.939 0 50 EHAA CC(=O)c1c(C)cccc1NC(=O)c1ccncc1Br 158018373 CKPYBWSEFFVGMZ-UHFFFAOYSA-N 333.185 3.607 0 50 EHAA CCc1cc(C(=O)OC[C@H]2CCCO2)c2c(CC(C)(C)C)noc2n1 240707784 HQNJNXFFJJVNJI-CYBMUJFWSA-N 346.427 3.710 0 50 EHAA Cc1nn(C)c(C)c1CNC(=O)N(Cc1ccoc1)C1CCCCC1 173466215 FOWRTTGLLDECEF-UHFFFAOYSA-N 344.459 3.674 0 50 EHAA O=C(c1cccc2cc[nH]c12)N1CCC[C@@H]1COc1ccc(F)cc1 338369900 FUDUTPJDXYLKAG-MRXNPFEDSA-N 338.382 3.991 0 50 EHAA CC1(C)C[C@@H](NCc2ccc(OCc3ccncc3)cc2)CCO1 160623064 RHMDKYKSIBBINF-SFHVURJKSA-N 326.440 3.708 0 50 EHAA Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)Cc1c(C)nn(C(F)F)c1C 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3.637 0 50 EHAA CCOc1ccc(Cl)cc1S(=O)(=O)NC1CCCCCC1 79684 WUDZQJHYLAONHA-UHFFFAOYSA-N 331.865 3.740 0 50 EHAA COc1ccc(-n2nnnc2SCc2ccc(Cl)cc2)cc1 367988 SHTOBTVAFCAXRB-UHFFFAOYSA-N 332.816 3.617 0 50 EHAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 433154 RBCKSRIYZPTARA-NSHDSACASA-N 333.771 3.783 0 50 EHAA O=C(NC[C@@H]1CCCO1)c1ccccc1SCc1ccccc1 471775 OSJBENORZKZHNK-INIZCTEOSA-N 327.449 3.888 0 50 EHAA COc1ccc(C)cc1NC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 611653 QMWFRXNLPPQTDQ-ZDUSSCGKSA-N 344.411 3.904 0 50 EHAA CCOC(=O)c1cccc(NC(=O)CCCOc2ccccc2C)c1 1772491 QKVMGAVTIJIMIK-UHFFFAOYSA-N 341.407 3.969 0 50 EHAA O=C(CSc1nnc(-c2ccc(O)cc2)o1)c1ccc(F)cc1 2206122 LKXRJZBIBABRRZ-UHFFFAOYSA-N 330.340 3.556 0 50 EHAA Cc1cccc(Oc2ccccc2CN=c2[nH]ccn3c(C)nnc23)c1 342470149 VBYBPEWQDBCBLQ-UHFFFAOYSA-N 345.406 3.567 0 50 EHAA CCOc1ccc2nc(NC(=O)COc3ccc(F)cc3)sc2c1 2990786 YOIWNHMLMASAPV-UHFFFAOYSA-N 346.383 3.852 0 50 EHAA O=C(c1ccc2ccccc2c1)N1CCN(c2ccccc2F)CC1 3559527 DILXOIFLUGOPDE-UHFFFAOYSA-N 334.394 3.941 0 50 EHAA C[C@@H]1C[C@@H](C)CN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 4744308 FNBMJZIPZAPMMH-HUUCEWRRSA-N 334.891 3.923 0 50 EHAA CCc1ccc(OCCN(C)C(=O)c2ccc(C(C)=O)s2)cc1 55413146 CAEFJASPZCJQDD-UHFFFAOYSA-N 331.437 3.664 0 50 EHAA Cc1ccc(-c2nc(CN3CCC4(CCNCC4)C3)c(C)o2)s1 67675664 SHBGYCJGAQKWBW-UHFFFAOYSA-N 331.485 3.595 0 50 EHAA CCOc1ncccc1Cn1cnc(-c2ccccc2)c1[C@@H]1CCOC1 65495287 DEEJMCLGJWHLRN-GOSISDBHSA-N 349.434 3.896 0 50 EHAA Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@H]2c1nc2c(s1)CCCC2 65406802 CYTZMOMQQQCPNG-SNVBAGLBSA-N 344.484 3.527 0 50 EHAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C[C@@H]1CCCO1)CCO2 67819934 NUEIBZMZPLUHCP-SFHVURJKSA-N 339.435 3.741 0 50 EHAA C[C@H](C(=O)NCc1coc(-c2ccccc2)n1)n1cnc2ccccc21 172694590 RAIRACGJQLLZOR-CQSZACIVSA-N 346.390 3.569 0 50 EHAA Cc1cc(C)c(-n2cccn2)c([C@H]2CC(=O)Nc3[nH]nc(C4CC4)c32)c1 65407699 BWGFFIZSZHTCBC-CQSZACIVSA-N 347.422 3.564 0 50 EHAA Cc1cc(C(F)F)nn1CC(=O)NCc1ccc(Cl)cc1Cl 1000870 LRBBSKQFIKKVPL-UHFFFAOYSA-N 348.180 3.752 0 50 EHAA Cc1cccnc1[C@H](C)NC(=O)c1cccc(CCC(C)(C)O)c1 72430943 GFYPNTXOLIVNKJ-HNNXBMFYSA-N 326.440 3.585 0 50 EHAA CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(Cl)cc1)c1ncccn1 253369925 JYDFMVYUHJGUNZ-BFYDXBDKSA-N 341.842 3.724 0 50 EHAA Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)c1cnn(C(C)C)c1N 253393161 APZCIDRECRFNPN-QGZVFWFLSA-N 328.460 3.824 0 50 EHAA COc1cccc2c(N3CC[C@@H](n4cnc5c4CCCC5)C3)ccnc12 436450951 RGZWWIGETVNVKA-OAHLLOKOSA-N 348.450 3.770 0 50 EHAA CC(C)=CCN1CCC(O)(Cc2cc(-c3ccccc3)no2)CC1 12456454 KJQQUWLKTODGCK-UHFFFAOYSA-N 326.440 3.677 0 50 EHAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3ncoc3C3CC3)C2)cc1 77485525 HNJXMJVOHXDBFE-HNNXBMFYSA-N 340.423 3.792 0 50 EHAA CCc1cc(C(=O)OC)c(NC(=S)Nc2cccc(O)c2)s1 17070737 MEQOZDWUWMMOQO-UHFFFAOYSA-N 336.438 3.612 0 50 EHAA Cc1nc([C@H]2CCOC2)cc(=NCc2ccc(Cl)c(Cl)c2)[nH]1 426552372 SFTFGHARTRHZIB-LBPRGKRZSA-N 338.238 3.630 0 50 EHAA COc1cccc(C(=O)Nc2nc(Cc3ccccc3)ns2)c1F 133215362 SCEBFSITNGSWON-UHFFFAOYSA-N 343.383 3.529 0 50 EHAA O=C(Cc1ccc(-c2ccccc2)cc1)NCC1(Cn2cccn2)CC1 220486077 FZFPFMZPTPKNES-UHFFFAOYSA-N 345.446 3.689 0 50 EHAA CCOC[C@@H]1CCCN1C(=O)c1ccc2c3c([nH]c2c1)CCCC3 426727438 KDDJRTNUHJHFCO-HNNXBMFYSA-N 326.440 3.688 0 50 EHAA CC(C)c1noc([C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)n1 91713166 RIEDAACLZKVRMI-AWEZNQCLSA-N 347.846 3.795 0 50 EHAA c1ccc(-c2csc(CN3CCC(c4ncon4)CC3)n2)cc1 97698835 OOUFYNVIGNIGLS-UHFFFAOYSA-N 326.425 3.573 0 50 EHAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)CCc2cccc(F)c2)C1 95517715 NDHIXYHTUHRJGJ-QGZVFWFLSA-N 343.446 3.942 0 50 EHAA Cc1ccnc([C@@H](NC(=O)c2c[nH]nc2-c2ccccc2)C2CC2)c1 97711729 QXWPBGHMOPXDPZ-IBGZPJMESA-N 332.407 3.661 0 50 EHAA Cc1ncsc1CN1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 92020685 OLIQJVHVQZKSHK-FUHWJXTLSA-N 345.487 3.687 0 50 EHAA CC(C)OC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)O)[C@H]1c1ccccc1 244695589 JPDDMZAETFWSGR-QGFMHUBQSA-N 338.403 3.836 0 50 EHAA CC(C)c1nc(O)ccc1C(=O)N(C)Cc1cc2cc(F)ccc2[nH]1 1940197768 PESPXMRIQCFJSU-UHFFFAOYSA-N 341.386 3.803 0 50 EHAA Cc1ccc(S[C@@H](C)C(=O)NCCCc2c(C)n[nH]c2C)cc1 825181692 WVCFZGSTNGOTQG-HNNXBMFYSA-N 331.485 3.565 0 50 EHAA COc1cccc(OCc2nc(C3CCC3)n(-c3ccncc3)n2)c1 584891641 IIVKOQUMPNOTKV-UHFFFAOYSA-N 336.395 3.517 0 50 EHAA CCCCN(Cc1cccnc1)C(=O)N[C@@H](C)c1ccc(O)c(F)c1 584891978 RPECOMQBLJMKSP-AWEZNQCLSA-N 345.418 3.999 0 50 EHAA C[C@@H]1c2ccccc2OCCN1C(=O)NCC(C)(C)C1=CCOCC1 1345924849 WZKSMGRVEYEKLA-OAHLLOKOSA-N 344.455 3.525 0 50 EHAA CN(Cc1ccccc1F)C(=O)c1ccc(C(F)(F)F)cc1N 1441857592 AHSHVBKVHUWOSL-UHFFFAOYSA-N 326.293 3.699 0 50 EHAA Fc1ccccc1COc1ccc(CN2CCOC3(CCC3)C2)cn1 187381612 BMFOICMUEVYXEH-UHFFFAOYSA-N 342.414 3.555 0 50 EHAA CC(C)Oc1cccc(CN2C(=O)[C@@H](c3ccccc3)N(C)C2=O)c1 761007994 ZGWWSPPEXZJANK-GOSISDBHSA-N 338.407 3.609 0 50 EHAA COc1cc(CNC[C@H]2CCCO2)ccc1OCCc1ccccc1 5019564 VMQAAPIYIGRJCC-LJQANCHMSA-N 341.451 3.585 0 50 EHAA Cc1ccccc1[C@@H](CC(=O)N1CCCN(C)CC1)c1ccccc1 12072825 RFYJXEFTNXLIAV-NRFANRHFSA-N 336.479 3.681 0 50 EHAA CCOC(=O)C1(CCOC)CCN([C@H]2CCCC(C)(C)C2)CC1 12591377 BTPLQPQCHZEWBG-INIZCTEOSA-N 325.493 3.637 0 50 EHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@H](NC1CCCC1)C3 14995795 ZTSDLKZHHDNFBK-AWEZNQCLSA-N 345.512 3.648 0 50 EHAA CCOc1cc2c(cc1-c1nccn1Cc1cn(CC)cn1)CCC2 1857732680 ATCPYSXTTIUGEX-UHFFFAOYSA-N 336.439 3.702 0 50 EHAA CC1=CC[C@H]2CN(c3ncccc3C(=O)N3CCCCC3)C[C@H]2C1 247855373 XGMVJGYYLLBATF-DLBZAZTESA-N 325.456 3.500 0 50 EHAA O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cccnc1-c1ccccc1 152545944 WSBMJVKCTGCFMQ-SFHVURJKSA-N 344.370 3.989 0 50 EHAA CNC(=O)CCCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 153742511 GCTMEWGNXGNLLF-INIZCTEOSA-N 336.863 3.700 0 50 EHAA C[C@H](NC(=O)N(C)CC1CCOCC1)c1nc(C(C)(C)C)cs1 158762034 PLSSRCHMQALKQF-LBPRGKRZSA-N 339.505 3.570 0 50 EHAA CN=c1ncc(CN(CCCCc2ccccc2)c2ccccc2)c[nH]1 1875341672 BVAMKSGYGPUUAN-UHFFFAOYSA-N 346.478 3.970 0 50 EHAA Cc1cc(Cl)cc(C(=O)N2CCc3[nH]nc(C(F)F)c3C2)c1 1775986491 SDXZAUFILUSNHS-UHFFFAOYSA-N 325.746 3.508 0 50 EHAA CCN(CC)CCCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 1834229 YOGRCFGKZFSFHV-OAQYLSRUSA-N 347.499 3.730 0 50 EHAA N[C@H]1CCCc2ccc(C(=O)NCC[C@@H]3CCc4ccccc43)cc21 2325864593 SWCCHSTYZWIOEX-UWJYYQICSA-N 334.463 3.873 0 50 EHAA O=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)N1CCCCC1 419327 MBTIUSBFRFJKEQ-UHFFFAOYSA-N 337.398 3.855 0 50 EHAA O=C(Oc1ccc(OC(=O)N2CCCCC2)cc1)c1ccccc1 614506 IRXRRBHXTPSADQ-UHFFFAOYSA-N 325.364 3.891 0 50 EHAA CCn1cc([C@@H]2CC(=O)N(c3ccccc3OC)C2=O)c2ccccc21 2131548 KURSRMKVOHXFCB-HNNXBMFYSA-N 348.402 3.717 0 50 EHAA biogenic Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)CC3CCCCC3)C1)CC2 2356138915 SDJIBZDOBAYYGW-FQEVSTJZSA-N 327.472 3.562 0 50 EHAA Cc1c(OCC(=O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3 4387712 PEIVIIUMWUHVOP-UHFFFAOYSA-N 334.371 3.852 0 50 EHAA Cc1ccccc1C(=O)Nc1ccc(Cl)cc1N1CCOCC1 4858080 SJIAVUPKAWSFAW-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA COCCn1c(C)cc(C(=O)CSc2nc3ccccc3[nH]2)c1C 6516765 VAROPQGBOBSBJB-UHFFFAOYSA-N 343.452 3.603 0 50 EHAA CC[C@H](C(=O)O)N1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 248956895 LSMJDGOGHDPHBI-GDBMZVCRSA-N 329.444 3.660 0 50 EHAA CCCCC(=O)Nc1ccc(C(=O)NCCCC[C@H]2CCCO2)cc1 65502830 ZVVKPBVUJDILLU-SFHVURJKSA-N 346.471 3.894 0 50 EHAA CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C1=CCCN(C)C1 67675979 ZGMKCXQZMNUIBR-OAHLLOKOSA-N 327.255 3.764 0 50 EHAA Cc1nc(NC(=O)[C@H]2CO[C@@H](C)C2)sc1Cc1ccc(F)cc1 331445721 OEOYNSBUDQKXBU-GXFFZTMASA-N 334.416 3.545 0 50 EHAA COc1ccc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)c(F)c1 121367541 WTVVWYCNLUFYTI-UHFFFAOYSA-N 339.370 3.889 0 50 EHAA CCOC(=O)[C@@H](C)On1c(-c2ccccc2)nc2ccc(Cl)cc21 1389390 CVVVLVVQDQVXSK-GFCCVEGCSA-N 344.798 3.737 0 50 EHAA CCc1ccc(CC)c(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 253427094 KZJUYWLLCPIQNI-INIZCTEOSA-N 326.444 3.566 0 50 EHAA CN1CC[C@@H](CNCc2csc(C(C)(C)C)n2)[C@@H]1c1cccnc1 328636131 NWKUADKOTFLPBV-RDJZCZTQSA-N 344.528 3.618 0 50 EHAA Cc1cc(C(=O)NCc2c(C)noc2C)c(C)cc1Br 154619601 BDRHVBCERMXNMA-UHFFFAOYSA-N 337.217 3.601 0 50 EHAA CO[C@@H](Cn1ccnc1-c1ccc2c(c1)OCCO2)c1cccs1 71682193 GZHZDVTXFRNIJU-INIZCTEOSA-N 342.420 3.771 0 50 EHAA O=C(Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1cccc(F)c1 35476525 YMKKSZGCYCNQJB-HNNXBMFYSA-N 328.343 3.923 0 50 EHAA O=C(N[C@H](C(=O)O)c1ccccc1)c1cccc(OC2CCCC2)c1 238022459 TUNYIUUICHQMKB-SFHVURJKSA-N 339.391 3.564 0 50 EHAA COc1cc(CN2CCC[C@@]3(CCCO3)CC2)cc(Cl)c1OC 215416163 GCDXTPZESBGCPY-GOSISDBHSA-N 339.863 3.892 0 50 EHAA c1ccc(Oc2ccnc(N[C@@H]3CCO[C@@]4(CCSC4)C3)n2)cc1 239667910 BRXYABHUAZXSII-KDOFPFPSSA-N 343.452 3.736 0 50 EHAA CC(C)Cn1ncc(C(=O)N2CCOc3ccccc3C2)c1C(F)F 241161300 JZTBESXYZZDIFB-UHFFFAOYSA-N 349.381 3.512 0 50 EHAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCCO2 426429801 MDLOUJKNAIRLOJ-INIZCTEOSA-N 326.396 3.594 0 50 EHAA Cc1nc2ccccn2c1-c1nnc2sc(/C=C/c3ccco3)nn12 227143730 DVXRLHLWNMWFJO-BQYQJAHWSA-N 348.391 3.572 0 50 EHAA O=C(NCc1ccc(Cl)cc1Cl)N1CCOC2(CCCC2)C1 426563002 NBHQGBGZJBIRES-UHFFFAOYSA-N 343.254 3.848 0 50 EHAA C[C@H](c1cncs1)N(C)C(=O)c1cnc(Nc2ccccc2)nc1 91678076 LBBLLJXZABGSOQ-GFCCVEGCSA-N 339.424 3.510 0 50 EHAA CCCCn1ccnc1[C@@H]1CCCN(c2nc(C)ncc2CC)C1 95516416 ZGRFQCKKDJTOKR-QGZVFWFLSA-N 327.476 3.728 0 50 EHAA CN(C)c1ccc(Cl)cc1NC(=O)c1cccc2nccnc12 347506942 KCRPFCRZHJTZOH-UHFFFAOYSA-N 326.787 3.602 0 50 EHAA C[C@H]1CCCN(c2ccc(Cl)cc2NC(=O)c2cncn2C)C1 952870126 SIKHKANHNJQUBH-LBPRGKRZSA-N 332.835 3.562 0 50 EHAA CC(C)(C)c1nnc(NC(=O)c2cnn(C3CCCCC3)c2)s1 170624718 UDXWVLCJCFWYSP-UHFFFAOYSA-N 333.461 3.790 0 50 EHAA C[C@H]1C[C@H](C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)CCC1=O 677887403 BRDVRVDENYYTTO-QWHCGFSZSA-N 348.406 3.569 0 50 EHAA COC(=O)Nc1ccc(CCNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 737594088 FRLVCVKMMDRRMR-IAGOWNOFSA-N 344.455 3.762 0 50 EHAA COc1ccc(-c2ncc(F)c(N3CCCC3)n2)c2ccc(C)nc12 1506418330 QEQLDGJQHXMKQN-UHFFFAOYSA-N 338.386 3.748 0 50 EHAA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCn1ccnc1 12380664 ZPBYZRAGZJDBON-QGZVFWFLSA-N 349.434 3.524 0 50 EHAA CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1 19796158 XJGVXQDUIWGIRW-UHFFFAOYSA-N 327.815 3.771 0 50 EHAA biogenic,fda C[C@H]1CCC[C@@H](CNC(=O)N2CCC(Oc3ncccc3F)CC2)C1 333433668 NZYYUEPZNRVFAV-LSDHHAIUSA-N 349.450 3.600 0 50 EHAA OC1(CCCN[C@@H](c2nc(Br)cs2)C2CC2)CCC1 817587563 YTWHEJXVEWGMML-GFCCVEGCSA-N 345.306 3.642 0 50 EHAA C[C@]1(CCc2ccccc2)OC(=O)N(CCc2ccccc2)[C@]1(C)O 4686859 YZRUAHZNAPSQLK-NHCUHLMSSA-N 339.435 3.781 0 50 EHAA O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCC[C@@H]1c1cc[nH]n1 935921917 ZQLMDPKMYKPLMJ-LJQANCHMSA-N 334.423 3.696 0 50 EHAA CC(C)NC(=O)Nc1ccc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 245916221 QAALMNGLMABZJY-KZNAEPCWSA-N 345.487 3.510 0 50 EHAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(CC=C(C)C)CC1 11878780 YIFNGYZENBXHEL-UHFFFAOYSA-N 345.483 3.849 0 50 EHAA Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C(F)(F)F 130952 BLKZPLRUIKUTFW-UHFFFAOYSA-N 343.161 3.610 0 50 EHAA Fc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 222235 SYANRGJUXDCGLD-CABCVRRESA-N 329.766 3.612 0 50 EHAA O=C(NCCc1cccc(Cl)c1)c1ccc(Br)o1 375674 NMWPXQMGSQOMFV-UHFFFAOYSA-N 328.593 3.668 0 50 EHAA Cc1cccc(NC(=O)COc2ccc(C=O)cc2Br)c1 608717 UUWQRGAZFVKDJM-UHFFFAOYSA-N 348.196 3.588 0 50 EHAA CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2C)cc1 617681 WRNNKJHJSXUEAD-UHFFFAOYSA-N 339.420 3.507 0 50 EHAA O=C(NCc1ccccc1)c1cccc(NC(=O)c2cccs2)c1 1054821 XFMCRBJMFJZSTH-UHFFFAOYSA-N 336.416 3.930 0 50 EHAA Cc1ncc2c(n1)[C@@]1(CCCN(c3nnc(C)c4ccccc34)C1)CC2 2356156113 RTOUBSQCYGJEII-NRFANRHFSA-N 345.450 3.521 0 50 EHAA COc1ccc(-c2cccc(CN3CCC[C@H](OC)C3)n2)cc1F 2356167530 REQVSNKPHBKFGT-INIZCTEOSA-N 330.403 3.507 0 50 EHAA C[C@H]1CCCN([C@@H](C)CS(=O)(=O)c2ccc3ccccc3c2)C1 4834861 APQVXJNBJOYYKX-HOTGVXAUSA-N 331.481 3.734 0 50 EHAA CCCc1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1 6818578 PSGYMMABZJIQRF-UHFFFAOYSA-N 345.143 3.920 0 50 EHAA O=C(COCc1cc(-c2cccs2)on1)Nc1ccccc1F 6876575 FTBHHWZZIISAMG-UHFFFAOYSA-N 332.356 3.698 0 50 EHAA c1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)nc1 10312395 DBSQCMPJTRCNSE-UHFFFAOYSA-N 347.447 3.717 0 50 EHAA OCC[C@@H]1CN(CCCc2ccccc2)CCN1CC1CCCCC1 20202078 GXLREAWVTLVBTM-JOCHJYFZSA-N 344.543 3.568 0 50 EHAA O=C(CCCc1nc2ccccc2s1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 247766810 LJGBCGULOVQMOJ-MNUAXYBXSA-N 326.465 3.876 0 50 EHAA C[C@H](C(=O)Nc1nccs1)N(Cc1ccc2[nH]ccc2c1)C1CC1 67692452 YUCWSDOKFVEOMG-GFCCVEGCSA-N 340.452 3.616 0 50 EHAA Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)c1 253599719 RUOXDPSLHCRCLD-GBESFXJTSA-N 341.430 3.515 0 50 EHAA CN1CCCC[C@H]1CCC(=O)NCc1scnc1-c1ccccc1 65433578 ROBHAPRGFOOGLI-INIZCTEOSA-N 343.496 3.691 0 50 EHAA Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1 253604152 VEQLHRZKWNQFTM-SOUVJXGZSA-N 343.393 3.551 0 50 EHAA CC[C@H]1CC[C@H](C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)CC1 252012000 XSVBRQKCLFKYFZ-SHTZXODSSA-N 341.459 3.941 0 50 EHAA CC(C)C(=O)N1CCC(Nc2ccnc3ccc(Cl)cc23)CC1 172150276 VBNVBRFDIXVRQD-UHFFFAOYSA-N 331.847 3.947 0 50 EHAA Cc1nc(C(F)(F)F)c(C(=O)OCC(=O)c2ccccc2)s1 3117032 ANKPPNPCMBFOIC-UHFFFAOYSA-N 329.299 3.510 0 50 EHAA O=C(CC1CC1)N1CC[C@@H]2[C@@H](CCC(=O)N2CCC2=CCCCC2)C1 72478538 JLYFOZLAVNKOSF-RBUKOAKNSA-N 344.499 3.517 0 50 EHAA C[C@H](CC(F)(F)F)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 123386113 FYPSKJMXYKBVMB-ODWCKFRGSA-N 336.398 3.847 0 50 EHAA O=C(N[C@@H](c1cccs1)C1CC1)c1csc([C@H]2CCCO2)n1 332758994 HKWIEYNZPBNWQT-TZMCWYRMSA-N 334.466 3.937 0 50 EHAA Cc1ccc(-c2nnc(CN3CCCC[C@H]3c3ccccn3)o2)n1C 72120941 WFWHTVBAIZWXIP-INIZCTEOSA-N 337.427 3.506 0 50 EHAA CC[C@@H]1COCCN1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 446876943 WCMABRACFJKNDM-ZYHUDNBSSA-N 331.243 3.875 0 50 EHAA Cc1ccc(-c2ccnc(N(C)Cc3cc(C4CC4)on3)n2)c(C)n1 71748340 MLUGOCNOCHQIJV-UHFFFAOYSA-N 335.411 3.657 0 50 EHAA CCCNc1ncc(CN2CCC[C@H]2c2ccccc2OC)cn1 216498341 NJTLAROKJJSCJW-KRWDZBQOSA-N 326.444 3.644 0 50 EHAA Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 245284477 SDMOCEGYJFWKDH-BPLDGKMQSA-N 329.362 4.000 0 50 EHAA Cc1ccncc1CNC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 241277734 LISUTRPWCXXSGN-BEFAXECRSA-N 347.865 3.965 0 50 EHAA Cc1nc(CCn2ccnc2-c2ccc(-c3cc[nH]n3)o2)sc1C 71753113 WRXXCBWZEJMHLD-UHFFFAOYSA-N 339.424 3.849 0 50 EHAA CC(C)N1C[C@]2(CCCN(c3ccc4ccccc4n3)C2)CCC1=O 82120579 MIARABWNEPRWHJ-OAQYLSRUSA-N 337.467 3.852 0 50 EHAA C[C@@H](Cc1ccsc1)N(C)C(=O)NC1CCN(C(C)(C)C)CC1 175983340 PGTPQFMIZNYFHB-AWEZNQCLSA-N 337.533 3.583 0 50 EHAA O=C(NCCc1ccccn1)N(Cc1ccccn1)C1CCCCC1 426707296 XZCWQCLLTKKRFW-UHFFFAOYSA-N 338.455 3.564 0 50 EHAA CSCCc1nc([C@H](C)Cn2cccn2)n(C2CCCCC2)n1 96150352 KYNXFSDQFDXYTD-CQSZACIVSA-N 333.505 3.689 0 50 EHAA Cc1nn(C)c2nc(N3CCCC[C@H]3CCc3ccccn3)sc12 95512289 GQYBREUNKOMHFK-HNNXBMFYSA-N 341.484 3.725 0 50 EHAA Cc1nc2ccccc2n(Cc2ccc(F)c(C(F)(F)F)c2)c1=O 95363510 YXSRPQXDZAVNPC-UHFFFAOYSA-N 336.288 3.911 0 50 EHAA c1ccc2sc([C@H]3CCCN(c4nnc(C5CC5)o4)C3)nc2c1 95382060 BWEANEXKLUKIRC-LBPRGKRZSA-N 326.425 3.941 0 50 EHAA Cc1ccc(NC(=O)c2nc(C)n(-c3cccc(Cl)c3)n2)cc1 252482187 DAFIAGBVSTZAAR-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA Cc1nc(C)c(CCNC(=O)Nc2ccc(-c3ncco3)cc2)s1 182638630 VTUHGLYRECNTOQ-UHFFFAOYSA-N 342.424 3.779 0 50 EHAA Cc1nc(C)c(C(=O)Nc2cccnc2Oc2ccccc2F)o1 1940195894 UQFWNVCCWBGUOU-UHFFFAOYSA-N 327.315 3.870 0 50 EHAA CC1CCN(Cc2ccc(-c3n[nH]c(Cc4cccs4)n3)o2)CC1 822421801 PLFSQSFSKFOSGE-UHFFFAOYSA-N 342.468 3.949 0 50 EHAA CCN(C[C@@H]1CCCCO1)C(=O)/C=C/c1nc2ccccc2s1 823038082 PKIVZEXTYDWJPB-VNDWYCCKSA-N 330.453 3.727 0 50 EHAA CN(CC(=O)NCC[C@@H](c1ccccc1)c1ccco1)C1CCCC1 670459577 NNUYZIGXIDIPFT-IBGZPJMESA-N 340.467 3.792 0 50 EHAA Cc1cc(NC(=O)CN(C)C2CCCC2)ccc1NC(=O)C(C)(C)C 952967375 ZRKNZQHJZQDJFU-UHFFFAOYSA-N 345.487 3.793 0 50 EHAA CCc1nc(C)c(CN2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)[nH]1 1565507483 HNSFQRVKDBZTNP-CTNGQTDRSA-N 349.478 3.784 0 50 EHAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)c2ccncc2Cl)cc1 952973082 XMHLOABSKNEOGV-LLVKDONJSA-N 329.787 3.503 0 50 EHAA COc1ccc2c(c1)[C@@H](C(=O)N(Cc1ccco1)c1ccccn1)CC2 408514570 QFZFOMHEOOBOBV-SFHVURJKSA-N 348.402 3.946 0 50 EHAA Cc1ccsc1CN1CCC[C@H](N(C)Cc2ccccn2)CC1 275875144 YIUGIIIBGPDSON-SFHVURJKSA-N 329.513 3.938 0 50 EHAA COC1(c2nc(-c3ccc(NC(C)=O)cc3)c(C)s2)CCOCC1 277448863 HUQDGUZGGONSOX-UHFFFAOYSA-N 346.452 3.729 0 50 EHAA COc1ccc2cc(CN[C@@H](Cc3ccccc3)C(=O)O)ccc2c1 170612754 OSURHEAITQLTOJ-FQEVSTJZSA-N 335.403 3.634 0 50 EHAA COc1cccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1F 192672145 WMDXZMTWGLAUAA-FQEVSTJZSA-N 343.398 3.846 0 50 EHAA Clc1cccc(OC2CN(C3CCN(Cc4ccco4)CC3)C2)c1 1506418046 URSLIZBPHRRDJI-UHFFFAOYSA-N 346.858 3.661 0 50 EHAA C[C@@H](CC(=O)Nc1c(O)ccc(Br)c1F)C(F)(F)F 1857530365 CDWOKUYCXRJWSB-YFKPBYRVSA-N 344.102 3.821 0 50 EHAA CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 468993 QKBKVMBHMBIZJM-RAOBZKRQSA-N 336.391 3.961 0 50 EHAA COCc1ccc(CN[C@@H](C)c2cnn(Cc3ccccc3)c2)cc1 124439784 DSHWZGZTUIRLJE-KRWDZBQOSA-N 335.451 3.929 0 50 EHAA C[C@@]12CC3CC(C(=O)NC(=S)N4CCCCC4)(C1)C[C@](C)(C3)C2 13155004 NXIDHFGQIKRMOT-KOCGSPDRSA-N 334.529 3.870 0 50 EHAA C[C@@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)C[C@@H](C)O1 16604383 QETMLZLKVCNSQX-RKDXNWHRSA-N 327.808 3.943 0 50 EHAA CN(C)Cc1cccc(Cn2ccnc2-c2ccncc2Cl)c1 1857697220 KWVQJEFZDIBDQJ-UHFFFAOYSA-N 326.831 3.708 0 50 EHAA CC[C@@H]1CN(C(=O)c2ccc(OC)c(-c3ccccn3)c2)CCS1 122906078 YRTCYTHOXPHWRP-OAHLLOKOSA-N 342.464 3.725 0 50 EHAA O=C(NCCc1ccccc1Cl)N1CCC[C@@H](OC2CCC2)C1 654408562 ARCAMKVTIJKWEG-MRXNPFEDSA-N 336.863 3.626 0 50 EHAA C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cccc(C(=O)O)n1 262197694 UGIFIUSUBDGQRR-NWDGAFQWSA-N 346.814 3.697 0 50 EHAA Cc1cccc2oc(-c3nc([C@@H]4CC(=O)N(CC5CC5)C4)no3)cc12 901969502 WUBZOHDYUFGRLQ-CYBMUJFWSA-N 337.379 3.517 0 50 EHAA C=CC(=O)N(C)CC(=O)N(C1CC1)[C@H](C)c1ccc2ccccc2c1 858751777 YSZQJLUBDCESFG-OAHLLOKOSA-N 336.435 3.536 0 50 EHAA CN(Cc1ccccc1S(C)(=O)=O)Cc1c(F)cccc1Cl 1875281656 OBXLBJFUMGQWBF-UHFFFAOYSA-N 341.835 3.515 0 50 EHAA CN(CC1(C)COC1)C(=O)Nc1cccc2nc(C(F)F)sc12 1775991792 VDVBFROYJOICCK-UHFFFAOYSA-N 341.383 3.734 0 50 EHAA Cc1cccc(-n2nnnc2SCC(=O)c2ccc(Cl)cc2)c1 350855 JQZAHYOWTJFKGS-UHFFFAOYSA-N 344.827 3.599 0 50 EHAA COc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1Br 359024 DDYPDYGFXQNQDS-UHFFFAOYSA-N 349.180 3.880 0 50 EHAA O=C(Nc1cc(F)ccc1F)C(=S)NCc1ccc(Cl)cc1 390248 YHYJGTIWZWTUPY-UHFFFAOYSA-N 340.782 3.674 0 50 EHAA Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)O)c1 2051954 RVCGIIJRZYPCIK-UHFFFAOYSA-N 342.420 3.600 0 50 EHAA COc1ccc(CCCC(=O)N2CCC(OC(F)(F)F)CC2)cc1 2356134513 QEQRBCUVXRYQMD-UHFFFAOYSA-N 345.361 3.545 0 50 EHAA COc1ccc([C@@H](C)c2cc3c(cc2OCC(C)=O)OCO3)cc1 3053396 RVACSNQYFAZZNT-CYBMUJFWSA-N 328.364 3.544 0 50 EHAA Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)o1 4591850 MQTXEVHMIVPBTK-MRXNPFEDSA-N 326.440 3.677 0 50 EHAA C[C@H]1CN(c2ccncc2Br)C[C@@H](c2ccccc2)O1 225613233 GKVFKAUWKHRWIZ-LRDDRELGSA-N 333.229 3.811 0 50 EHAA Cc1ccc(SC2CCN(C(=O)Nc3nnc(C)s3)CC2)cc1 23478653 WEJZAWKFOZCLHX-UHFFFAOYSA-N 348.497 3.944 0 50 EHAA CCOCCOc1ccc2c(c1)NC(=O)C[C@@H]2/C=C/c1ccco1 65373083 QQMQRDBMRLZRDR-GJBLVYBDSA-N 327.380 3.834 0 50 EHAA CN(c1ncc(C(F)(F)F)s1)[C@H]1CCO[C@@H]1c1cccnc1 425249858 DNHBRFBQQFDADS-CMPLNLGQSA-N 329.347 3.523 0 50 EHAA CCc1cc2oc(=O)cc(CN3CCN(C)C[C@H]3CC)c2cc1Cl 328595901 JQWRCBRQVJTINC-OAHLLOKOSA-N 348.874 3.535 0 50 EHAA O=C(NCc1cnc[nH]1)C1(c2cccc(C(F)(F)F)c2)CCCC1 443368464 JDDCEMVPWLIACA-UHFFFAOYSA-N 337.345 3.557 0 50 EHAA CC[C@@H](C)NC(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 1398960 HDQWSNMYDWRBNJ-SNVBAGLBSA-N 338.329 3.793 0 50 EHAA O=S(=O)(Nc1cccc(Br)c1)c1ccc(F)c(F)c1 7052596 LRLBWCNNJPFWNK-UHFFFAOYSA-N 348.168 3.528 0 50 EHAA Cc1ccc2nc([C@H]3CCCN3Cc3nnc(C(C)C)o3)[nH]c2c1 72146488 IZKSVAPUEHDWON-OAHLLOKOSA-N 325.416 3.715 0 50 EHAA C/C(=C\c1cc(Cl)ccc1O)CN1CCC[C@H](N2CCCC2=O)C1 71681588 HCBHVGZEIOCNTF-SHRNQRGKSA-N 348.874 3.536 0 50 EHAA Cc1ccc(Cl)cc1CNC(=O)Nc1cc([C@H]2CCCO2)nn1C 332998269 AMCJEJUWYGLWSO-OAHLLOKOSA-N 348.834 3.555 0 50 EHAA Cc1nc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c2ccccn12 72432046 QMXQDBYRDYLBOW-INIZCTEOSA-N 345.450 3.899 0 50 EHAA COc1cccc(CCC(=O)Nc2ccc(Nc3ncccn3)cc2)c1 444420611 FGBLXWWYSLFFNF-UHFFFAOYSA-N 348.406 3.800 0 50 EHAA C[C@@H](CO)N(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 72475114 MYIWPIFYWJSVJZ-INIZCTEOSA-N 341.499 3.947 0 50 EHAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1Cc2ccccc2C1 154784760 IBGXCUDZMNOTSR-ZDUSSCGKSA-N 326.444 3.733 0 50 EHAA COc1cnccc1[C@@H](C)NC(=O)N1CC2(CCC2)c2ccccc21 365341271 CVHOBTDPVUUMCQ-CQSZACIVSA-N 337.423 3.803 0 50 EHAA CCOc1ccc(NC(=S)NC[C@H](C)N2CCCC[C@H]2C)cc1 241515742 OHQMANMYSVAPKK-CABCVRRESA-N 335.517 3.635 0 50 EHAA C[S@](=O)c1ccc(NC(=O)CCCc2cccs2)cc1F 173203628 YJLOGMGILYZCAE-NRFANRHFSA-N 325.430 3.586 0 50 EHAA COc1cccc(OC)c1-c1nc2c(C)nn(-c3ccccc3)c2[nH]1 48135105 KNFBJQOCYOOXJX-UHFFFAOYSA-N 334.379 3.741 0 50 EHAA CCCOc1cccc(-c2noc([C@H](NC(C)=O)C3CCCC3)n2)c1 288888167 IHANQUWPSFYBTL-QGZVFWFLSA-N 343.427 3.893 0 50 EHAA CC1(C)C[C@@]1(CNC(=O)N1CC(c2ccncc2)C1)c1ccccc1 426555414 GDOUAFSDGDTOKJ-OAQYLSRUSA-N 335.451 3.558 0 50 EHAA Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCC[C@H]1c1cccnc1 91433798 KDMJJKGRQXLUGP-SFHVURJKSA-N 337.398 3.917 0 50 EHAA COc1cccc([C@H]2CCN2C(=O)c2cccc(-c3ncc[nH]3)c2)c1 97506036 HXXRKSQPGIYFFT-GOSISDBHSA-N 333.391 3.673 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)C(=O)c2c[nH]nc2C2CCCCC2)c1 91663015 RGRSTNHIRIVOLM-HNNXBMFYSA-N 340.471 3.864 0 50 EHAA COCCC[C@H](C)C(=O)N1CCc2cc(Br)cc(F)c21 183246337 MMGYLDKBLUYDKG-JTQLQIEISA-N 344.224 3.540 0 50 EHAA C[C@H]1Cc2cc(NC(=O)C3(N4CCCC4)CCCCC3)ccc2O1 822512879 TXPQAOYRKOCKOZ-HNNXBMFYSA-N 328.456 3.747 0 50 EHAA CCn1c(C)cc2cc(NC(=O)c3c(C)nc4ncccn34)ccc21 823582652 VZPJFBNIXUSERU-UHFFFAOYSA-N 333.395 3.573 0 50 EHAA COCC[C@H](NC(=O)C(C)(C)c1ccccc1Cl)c1cccnc1 1349632731 KRSKEKZONVEAOE-KRWDZBQOSA-N 346.858 3.907 0 50 EHAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)c2cnc3c(c2)CCCC3)c1 952986834 LBMZLODQMRTIRI-AWEZNQCLSA-N 349.434 3.728 0 50 EHAA C[C@H]1CCN(C(=O)Nc2ccc(-n3nnc4ccccc43)cc2)[C@@H]1C 1467336055 WYXXJQWIMGNWHI-UONOGXRCSA-N 335.411 3.683 0 50 EHAA COC(=O)c1scc(C)c1NC(=O)N1CC[C@@H](c2ccccc2)C1 170602769 BNLOZWFJYZHJIY-CQSZACIVSA-N 344.436 3.865 0 50 EHAA COc1cccc(Cl)c1CNC(=O)N[C@@H](C)c1ncc(C)s1 189477192 HXMFDBDSJLKDAT-JTQLQIEISA-N 339.848 3.674 0 50 EHAA Cc1cc(C)c(N2CC[C@H](Sc3nnc(C4CC4)[nH]3)C2=O)c(C)c1 189999591 XSRFHKHCBGLRRN-AWEZNQCLSA-N 342.468 3.505 0 50 EHAA Cc1n[nH]nc1C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 194091860 ZZBPTMLDKFJUEM-UHFFFAOYSA-N 342.786 3.598 0 50 EHAA C[C@@H](NC(=O)NCc1ccc2occc2c1)c1nc(C(C)(C)C)no1 661081692 STPBXDAPIXLLPA-LLVKDONJSA-N 342.399 3.674 0 50 EHAA O=C(NCc1cccc(OC2CC2)c1F)N[C@H]1CCCC(F)(F)C1 664481423 JEMFDNXXJPASON-LBPRGKRZSA-N 342.361 3.744 0 50 EHAA CCCOCCNC(=O)[C@](C)(Nc1ccc(C)cc1)c1ccccc1 1506404004 ANYSKISGKHHQJL-OAQYLSRUSA-N 340.467 3.865 0 50 EHAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc2c3ccccc3n(C)c2c1 1772700857 FLQDZOAKNZNDKR-NVXWUHKLSA-N 347.462 3.527 0 50 EHAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)s1 13327036 KTRHDJBAPQDYSF-UHFFFAOYSA-N 334.828 3.890 0 50 EHAA O=C(c1ccccc1)c1ccc2cc(OP(=O)(O)O)ccc2c1 2169109 IMOOIRRVPMIBOL-UHFFFAOYSA-N 328.260 3.542 0 50 EHAA in-vitro C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12 4104859 CYKYBWRSLLXBOW-VTBMCCKRSA-N 334.500 3.568 0 50 EHAA biogenic,in-vitro Cc1cc(CO)oc1C(=O)NCC(c1ccccc1)c1ccccc1 253405478 MZDBYNMMJOZRLU-UHFFFAOYSA-N 335.403 3.642 0 50 EHAA COc1ccc([C@H](NC(=O)c2oc(C(=O)O)cc2C)C2CCC2)cc1 911063413 VQASOLBJPDFDRV-MRXNPFEDSA-N 343.379 3.566 0 50 EHAA CNC(=O)C1CCC(Nc2nc(Cl)cc3c(F)cccc23)CC1 1875294532 IFXKCMABOLPUPB-UHFFFAOYSA-N 335.810 3.744 0 50 EHAA CCc1cccc2ccc(C(=O)NCC[C@H]3CC(C)(C)CO3)nc12 1875357504 JTPSPSYDPBCMCK-INIZCTEOSA-N 326.440 3.732 0 50 EHAA c1ccc2c(c1)oc1c(N3CC(c4ncc(C5CC5)cn4)C3)ncnc12 894898943 XBDSOZRWMYNIGP-UHFFFAOYSA-N 343.390 3.647 0 50 EHAA Cn1nc(C(F)(F)F)cc1-c1ccc([C@@H](N)Cc2ccccn2)cc1 2325859199 QVGZSSQQYLSQBU-HNNXBMFYSA-N 346.356 3.743 0 50 EHAA COC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CCC2 98198 NUVOMXSEIPWASV-UHFFFAOYSA-N 329.421 3.893 0 50 EHAA COc1ccc(CC(=O)Nc2ccc(Br)c(C)c2)cc1 228096 JTZWDWMECMBFHF-UHFFFAOYSA-N 334.213 3.947 0 50 EHAA O=C(COc1ccccc1)Nc1ccccc1C(=O)c1ccccc1 406705 SXZMYEUZJVAWNT-UHFFFAOYSA-N 331.371 3.935 0 50 EHAA COc1ccc(Br)cc1/C=C/C(=O)NCc1ccccc1 447706 MBQSKOVZPIQMPK-JXMROGBWSA-N 346.224 3.787 0 50 EHAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccc(Cl)cc1Cl 2575633 HGGWEUIYPYFHNX-NSHDSACASA-N 348.226 3.904 0 50 EHAA CCCCOc1ccc(C(=O)NCCc2ccccc2)cc1OC 2832797 TUHKCURACLWWTH-UHFFFAOYSA-N 327.424 3.847 0 50 EHAA O=c1c2ccccc2cnn1CCCCOc1ccc(Cl)cc1 4845330 LJLKDGGROQJJFR-UHFFFAOYSA-N 328.799 3.909 0 50 EHAA CC(C)OC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 5002939 OSMMTMKDUSZPCL-CSODTCANSA-N 336.387 3.546 0 50 EHAA biogenic Cc1ccc(-c2nnc(Cn3c(=O)oc4ccc(Cl)cc43)o2)cc1 6758906 KHLPZPDDZMNIJK-UHFFFAOYSA-N 341.754 3.655 0 50 EHAA Cc1cc(S[C@@H](C)C(=O)NCc2ccco2)nc2ccccc12 9593782 GCRGSUUXDBEUJB-ZDUSSCGKSA-N 326.421 3.933 0 50 EHAA CSc1ccc(C(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1 12754232 RCXKKQHTPSQNJI-GOSISDBHSA-N 341.476 3.882 0 50 EHAA COc1cc(NC(=S)N2CCC[C@H](C)C2)c(OC)cc1Cl 13497376 DWTZCYQJCYKXHX-JTQLQIEISA-N 328.865 3.786 0 50 EHAA CCOc1ccc(NC(=O)Nc2nnc(-c3ccncc3)s2)cc1 18067238 VMNNRUQXALXRQH-UHFFFAOYSA-N 341.396 3.643 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1Cl 20255556 RTNJBEWIUJYGDF-UHFFFAOYSA-N 344.842 3.733 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)Cc2c(Cl)nc3sccn23)c1 55088814 RJWXHIINISPOGL-GFCCVEGCSA-N 334.876 3.816 0 50 EHAA COc1ccc(C)cc1C(=O)N1CCCN(CC2CC2)[C@H](C(C)C)C1 71735846 DPELOCKBDUDWBA-IBGZPJMESA-N 344.499 3.586 0 50 EHAA CCc1oc2ccccc2c1-c1nccn1C[C@@H]1CC(=O)N(CC)C1 71752094 MLHYGMYNADQMDD-CQSZACIVSA-N 337.423 3.727 0 50 EHAA CC(C)[C@@H](Nc1nccc(CCC(F)(F)F)n1)c1nccn1C 71765202 DOKMIFWWYYUSCT-GFCCVEGCSA-N 327.354 3.514 0 50 EHAA O=C(c1ccc(Cl)cc1F)N1CCC[C@@H](OCc2ccccn2)C1 82115439 DTKUPCHKRWHYMN-OAHLLOKOSA-N 348.805 3.696 0 50 EHAA Cc1ncsc1CCC(=O)N1CCC[C@@H]1c1cc(C(C)C)on1 82116204 MYULMAWNJKCLDT-CQSZACIVSA-N 333.457 3.859 0 50 EHAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 82120244 JFNLRTLWBPRXJB-KRWDZBQOSA-N 336.439 3.758 0 50 EHAA O=C(NCC[C@H]1CCCCO1)c1ccc2nc(-c3ccccc3)cn2c1 82156940 MSJFVYNBVGUFCZ-GOSISDBHSA-N 349.434 3.690 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)NCc1cc(-c2ccco2)on1 91595034 CHSBVBVMMJKFHM-UHFFFAOYSA-N 331.397 3.753 0 50 EHAA CSCCc1nc(-c2csc(C(C)=O)c2)n(CC(F)(F)F)n1 95525942 JPQYHCCQQWUWJS-UHFFFAOYSA-N 349.403 3.677 0 50 EHAA CN1[C@H]2CC[C@H]1CC(OC(=O)C(c1ccccc1)c1ccccc1)C2 100061828 IUTYUDPWXQZWTH-OALUTQOASA-N 335.447 3.987 0 50 EHAA biogenic Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccnn1C 123069016 LTLQEJBEYAOXNY-UHFFFAOYSA-N 332.816 3.758 0 50 EHAA Cc1noc(-c2ccccc2)c1C(=O)NCCc1cc(F)ccc1F 153470141 OBMBZALJAILPEN-UHFFFAOYSA-N 342.345 3.901 0 50 EHAA CC(C)(C)OC(=O)N[C@@H]1CCCc2cnn(Cc3ccccc3)c21 170595702 KHSOKTZOWSXHKP-MRXNPFEDSA-N 327.428 3.834 0 50 EHAA COC(=O)Nc1ccc(NC(=O)N2CCCc3sccc3C2)cc1 170623068 UASGLTHLSWTWTJ-UHFFFAOYSA-N 345.424 3.907 0 50 EHAA CC(C)c1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1Cl 189483964 XXFMNLPPJRGKDO-GFCCVEGCSA-N 346.862 3.882 0 50 EHAA Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCOc4ccccc43)c2C)o1 192481215 AFJATOZQIWQMFA-AWEZNQCLSA-N 337.379 3.791 0 50 EHAA O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N[C@H]1CC=CCC1 193040372 MXGAKZRDTTVBBU-ZDUSSCGKSA-N 339.361 3.795 0 50 EHAA C[C@@H](c1ccccn1)N(C)C(=O)c1cc2c(OC(F)F)cccc2[nH]1 195101565 JWYJIOCZXQJJKT-NSHDSACASA-N 345.349 3.998 0 50 EHAA Cc1ccc(-n2cc(CN3CCC(c4ccn[nH]4)CC3)cn2)cc1C 215864643 AHUPJHSCCADSEP-UHFFFAOYSA-N 335.455 3.592 0 50 EHAA O=C(NCCc1cccc(Oc2ccccc2)c1)[C@H]1CCC[C@H](O)C1 220285487 JSJOUJMFOQJIIG-ROUUACIJSA-N 339.435 3.689 0 50 EHAA Cn1ccc2c(OCC(=O)Nc3ccc(C(F)(F)F)cn3)cccc21 252485327 GRHZISFLYLLZJD-UHFFFAOYSA-N 349.312 3.610 0 50 EHAA CCc1ccc([C@H](NC(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)C(C)(C)C)o1 252585712 KKWPXPALZFUFQN-UJHHCITNSA-N 346.471 3.748 0 50 EHAA O=S(=O)(c1ccccc1)N(Cc1cscn1)c1ccccc1 253416709 CTHWLGURYKAQRL-UHFFFAOYSA-N 330.434 3.539 0 50 EHAA Cc1cccc(-n2cc(CN(C)Cc3ncc(C)c(O)c3C)cn2)c1 253537191 AWRFMILUZVMGCL-UHFFFAOYSA-N 336.439 3.530 0 50 EHAA CC(C)C[C@H](C(=O)N[C@@H](C)c1nc2ccccc2n1C)n1cccc1 263588187 QELWQPVHQQBERZ-MAUKXSAKSA-N 338.455 3.839 0 50 EHAA C[C@]1(c2ccccc2)CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 268935190 BSOAXCLXVRVDRT-XLIONFOSSA-N 338.455 3.550 0 50 EHAA CC(C)(CCCO)CNC(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 376943519 AAENJVOZKRZALK-QRVBRYPASA-N 344.499 3.763 0 50 EHAA O=C(NCC[C@H]1CCOC1)c1ccc(CSc2ccccn2)cc1 534586274 NPVUXORJIZDGTQ-HNNXBMFYSA-N 342.464 3.530 0 50 EHAA Cc1ccc(NC(=O)c2cccn2C2CC2)cc1NC(=O)C(C)C 827621806 ROPGWIKVBYQGMQ-UHFFFAOYSA-N 325.412 3.978 0 50 EHAA CN1C[C@@H](C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)CCC1=O 827714514 RXBSHIPIDIJTPU-HNNXBMFYSA-N 342.826 3.814 0 50 EHAA CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 899785184 FIHWJMFLFXCTLY-QFBILLFUSA-N 340.379 3.559 0 50 EHAA O=C(Nc1ncc(-c2ccccc2)s1)N1CC[C@@]2(CCCCN2)C1 900475610 YJPWYOCDPGFCPQ-SFHVURJKSA-N 342.468 3.560 0 50 EHAA Fc1cccc(-c2cnc([C@@H]3CCCCN3Cc3nncs3)[nH]2)c1 930254667 GXYOIIPPZCYJHQ-HNNXBMFYSA-N 343.431 3.795 0 50 EHAA CN(C(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2)C1CC1 1322035848 IVTZNEBIPYYWJD-UHFFFAOYSA-N 327.403 3.650 0 50 EHAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)[C@H]1Cc2ccc(F)cc21 1875305055 DUPZJFBKTKOYMS-QRFRQXIXSA-N 339.410 3.972 0 50 EHAA C[C@@H](NCc1ccn(CC(F)(F)F)n1)c1ccc2ncccc2c1 2325773964 JDWUZIABFMQIJM-GFCCVEGCSA-N 334.345 3.844 0 50 EHAA Cc1oc2ccccc2c1CCNCc1cnn(C)c1Br 2325856520 SMPXWXKCVKABHB-UHFFFAOYSA-N 348.244 3.570 0 50 EHAA CC(C)c1ccc([C@@H](NC(=O)c2occ3c2CCCC3)C(=O)O)cc1 2325865893 UDPOHXNXJZBXQS-QGZVFWFLSA-N 341.407 3.838 0 50 EHAA Cc1ccc(C)c(-c2n[nH]cc2CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)c1 2356140352 FWUCUCIWYUPFPV-AMBYYYRHSA-N 339.483 3.675 0 50 EHAA COc1ccc(-c2ccc(CN3CCC[C@@H](CO)C3)s2)cc1OC 2356148700 NXNPPBQDLOAIHJ-CQSZACIVSA-N 347.480 3.637 0 50 EHAA COc1ccccc1Cc1nc(CCC=C(C)C)n([C@@H]2CCOC2)n1 2356156840 SWRJHIRRVHEPIR-QGZVFWFLSA-N 341.455 3.738 0 50 EHAA CCC[C@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 43463 STJLVHWMYQXCPB-WFASDCNBSA-N 342.226 3.653 0 50 EHAA biogenic,in-vitro Nc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)s1 51796 RHJBJDJWUBWXNJ-UHFFFAOYSA-N 342.449 3.577 0 50 EHAA COc1cc(C(=O)OCc2ccc(Cl)cc2)cc(OC)c1OC 482445 AHLQDGYWHVVBLD-UHFFFAOYSA-N 336.771 3.723 0 50 EHAA CC1CCN(C(=O)CSc2ccc(Br)cc2)CC1 613608 LGVDZVIKTZWNCA-UHFFFAOYSA-N 328.275 3.800 0 50 EHAA C[C@H](NC(=O)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 2920667 DKGGCUXLLNXZDJ-JTQLQIEISA-N 344.212 3.816 0 50 EHAA Cc1ccc(C)c(-n2c(-c3ccc4c(c3)OCO4)n[nH]c2=S)c1 6533785 UUUBHSDLUIDMLH-UHFFFAOYSA-N 325.393 3.942 0 50 EHAA CCCCc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 10314883 VFQSWCHCMOWXSN-UHFFFAOYSA-N 346.452 3.653 0 50 EHAA COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 13945983 NWLJFCLKAKBLCQ-UHFFFAOYSA-N 338.451 3.583 0 50 EHAA O=C1N(CC2CC2)CCC[C@@]12CCN(Cc1ccccc1Cl)C2 14958656 VMNCILNJBXNQTP-IBGZPJMESA-N 332.875 3.565 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 36371015 NFVCQZNBRFPYOP-SFXQLGODSA-N 334.500 3.566 0 50 EHAA COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 36620763 FPNKBKSQFHRGGI-QGZVFWFLSA-N 342.370 3.981 0 50 EHAA CCOc1cccc(CN(C(=O)c2ccncc2Cl)C2CC2)c1 55042601 DNKBBRWOQRSYJX-UHFFFAOYSA-N 330.815 3.939 0 50 EHAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc(Cl)s2)C1 55060539 XCVIIUDAWVSNFY-INIZCTEOSA-N 345.892 3.583 0 50 EHAA CC[C@H](C)N(Cc1ccncc1)C(=O)c1cccc(Cn2cccn2)c1 55132447 PIPUMBZCIHAQLW-KRWDZBQOSA-N 348.450 3.767 0 50 EHAA Cc1ccc(NC(=O)C2CCCCC2)c(NC(=O)[C@@H]2CCCN2C)c1 55307743 FMBYMMXWKKIYEB-SFHVURJKSA-N 343.471 3.547 0 50 EHAA c1ccc(CCN2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 65406352 CPROQOGLMXKKSQ-GOSISDBHSA-N 334.423 3.554 0 50 EHAA Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(CCO)CC1 67697449 AODWABDVJJDTOA-UHFFFAOYSA-N 334.847 3.898 0 50 EHAA Cc1ccsc1-c1nc(COc2ccc(CC(N)=O)cc2)c(C)o1 67712755 WBRFDVXCVCYZCI-UHFFFAOYSA-N 342.420 3.627 0 50 EHAA O=C(N1CC(c2ccccn2)C1)[C@@]1(c2ccccc2)CC12CCCC2 72129502 ARGDRJHISJYBOT-QFIPXVFZSA-N 332.447 3.910 0 50 EHAA CC[C@H]1CN(Cc2cnc(C3CCCCC3)nc2)CCN1C(C)C 72167654 LBXZYAGHIIKTAI-IBGZPJMESA-N 330.520 3.829 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)NCC[C@H](C)n3ccnc3)c2c1 77298526 BPPZEDIYLNROAA-INIZCTEOSA-N 336.439 3.738 0 50 EHAA Cc1csc(CCCNC(=O)c2csc(-c3cccs3)n2)n1 82083859 OAIJMZCEFWXFKY-UHFFFAOYSA-N 349.506 3.999 0 50 EHAA CCc1ccccc1OC1CN(C(=O)c2nccc3ccccc23)C1 82108746 WSMMCZOQWQNWRF-UHFFFAOYSA-N 332.403 3.701 0 50 EHAA Cc1cc(C)c2[nH]c(C(=O)N(C)Cc3nncn3C(C)C)c(C)c2c1 91452167 LENQSKQHTNRCRK-UHFFFAOYSA-N 339.443 3.538 0 50 EHAA Cc1cc2cc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)ccc2o1 91769821 SMFKPARGDWLBLI-INIZCTEOSA-N 348.402 3.871 0 50 EHAA FC(F)(F)c1nccc(NC2(CN3CCCC3)CCCCC2)n1 91914704 HBZGRHQOOZKBOE-UHFFFAOYSA-N 328.382 3.706 0 50 EHAA CCCCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 95367281 OYNSZYWCGFLGGS-CWFSZBLJSA-N 348.437 3.544 0 50 EHAA CC(C)(C)OC(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 95628803 FBQOOFIJZVCVDR-UHFFFAOYSA-N 329.375 3.576 0 50 EHAA Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCc2c(C)n[nH]c2C)C1 120981606 MOXSRLOJGMQTEU-RHSMWYFYSA-N 325.456 3.672 0 50 EHAA CC(=O)Nc1cccc(NC(=O)N2CCC[C@H]2c2ccncc2)c1C 126336661 HOFCHSAMIYGYHV-SFHVURJKSA-N 338.411 3.717 0 50 EHAA O=C(OCc1ccccc1)N1CCC(CSc2ncccn2)CC1 170601449 CZUKAYGFASARFE-UHFFFAOYSA-N 343.452 3.618 0 50 EHAA CC(C)c1nnc2ccc(NC(=O)N(C)CCc3cccs3)cn12 170609610 NWYNCPHCUILWLU-UHFFFAOYSA-N 343.456 3.621 0 50 EHAA COc1cc(NC(=O)N2CCO[C@@H](c3cccs3)C2)ccc1F 187040215 NMCOVWNQAAHBEY-CQSZACIVSA-N 336.388 3.501 0 50 EHAA CCOc1cccc2[nH]cc(CC(=O)N(C)[C@H](C)c3ccccn3)c12 188400477 YXPISLDFOUEDBO-CQSZACIVSA-N 337.423 3.724 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc([C@@H]2C[C@@H]2C)o1 190424263 GVUNRNNFCPEDJA-DNMXQMFDSA-N 329.444 3.629 0 50 EHAA Cc1nc(-c2ccccc2)oc1C(=O)Nc1cc(C(=O)O)cs1 191376170 WWGGHCIOKYROHJ-UHFFFAOYSA-N 328.349 3.662 0 50 EHAA C[C@@H](Oc1ccc(CN(C)Cc2ccccc2)cc1Cl)C(=O)O 222979663 YECZZVYKCMYXLX-CYBMUJFWSA-N 333.815 3.824 0 50 EHAA O=C(Cc1ccccc1C(F)(F)F)NCCCC[C@@H]1CCCO1 222995565 WWBYFLQRKUVXFQ-CQSZACIVSA-N 329.362 3.713 0 50 EHAA COc1ccc(F)cc1[C@@H](C)NC1CCN(c2ccccn2)CC1 237177314 MYLWTRDIBZUQIV-CQSZACIVSA-N 329.419 3.549 0 50 EHAA Cc1nc2cc(C(=O)N[C@H]3COC4(CCCCC4)C3)ccc2s1 244816957 SRSKXTUSCBHCJE-CQSZACIVSA-N 330.453 3.826 0 50 EHAA Cc1cccc(CC(=O)NCC[C@@H]2CCN(Cc3ccccc3)C2)c1 252489042 JDXWGHZXQZULTH-HXUWFJFHSA-N 336.479 3.566 0 50 EHAA CO[C@H](CSc1nc(=O)ccn1C(C)C)c1ccc(Cl)cc1 252493378 NAVRULIBEQMDJQ-CQSZACIVSA-N 338.860 3.957 0 50 EHAA Cc1ncc(S(=O)(=O)N2CC(C)(C)C[C@@H]2c2ccccc2)s1 331684458 WUTMEUQEKZQVCK-CQSZACIVSA-N 336.482 3.613 0 50 EHAA Cc1c(Cl)cc(F)c(NC(=O)N[C@H](C)c2cnn(C)c2)c1F 341788413 DSKLLJFZUTWEDB-MRVPVSSYSA-N 328.750 3.543 0 50 EHAA COc1ccc2oc([C@@H](C)NCCc3nnc(C)s3)c(C)c2c1 353572111 QPEVSZJQJOMDTK-LLVKDONJSA-N 331.441 3.803 0 50 EHAA CSC1(C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)CCC1 362601730 JAFHHRPJAFBFSZ-UHFFFAOYSA-N 341.436 3.558 0 50 EHAA CN(C)CCOc1ccc(NC(=O)[C@@H]2CCC(F)(F)C2)cc1Cl 390833272 FLESBVAIQRJOMB-LLVKDONJSA-N 346.805 3.654 0 50 EHAA NCC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3F)cc2)CC1 426410419 CYGJPDOEMITFIN-UHFFFAOYSA-N 346.833 3.957 0 50 EHAA Cc1cc(O)cc(C)c1-c1ccc2c(c1)OC[C@@H](N1CCCC1)[C@@H]2O 426429115 VVNLROCXJCNBQF-WIYYLYMNSA-N 339.435 3.566 0 50 EHAA CCN(CCO)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 426551966 KLOFABIQIRSARF-UHFFFAOYSA-N 337.341 3.827 0 50 EHAA CCc1nc(-c2ccc(C(=O)NC[C@H](C)n3ccnc3)cc2)ccc1C 584902199 WZBHHJUZVBMMJW-INIZCTEOSA-N 348.450 3.807 0 50 EHAA CN(C)Cc1nc(C(=O)N[C@H](CC(C)(C)C)c2cccnc2)cs1 670470293 XKAIHHCXCGADAC-CQSZACIVSA-N 346.500 3.507 0 50 EHAA NC[C@H]1CCCCN1C(=O)NCc1ccc(-c2cccc(Cl)c2)o1 827268038 QXXNEOZIYBBKGL-OAHLLOKOSA-N 347.846 3.623 0 50 EHAA CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ccc(F)cc2C(F)(F)F)C1 888079241 NZNYOCRZYLZSJX-TZMCWYRMSA-N 343.324 3.530 0 50 EHAA CCc1nc(C2(NC(=O)c3ccc(F)c4occc34)CCCC2)no1 934066052 LOXKYIAVKZUPOK-UHFFFAOYSA-N 343.358 3.717 0 50 EHAA Cc1csc(CNc2cccc(C(=O)N3CCC(C)(C)C3)c2)n1 952994317 ZOAUGAQFQWOSPY-UHFFFAOYSA-N 329.469 3.936 0 50 EHAA CCCC[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H](C2CC2)O1 1857717181 YDAADHCUFVAWFM-YLJYHZDGSA-N 340.467 3.907 0 50 EHAA O=S(=O)(Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)no1 1875360060 XZARJBDSRFPNFX-UHFFFAOYSA-N 334.784 3.796 0 50 EHAA COc1cccc(-c2c[nH]cc2C(=O)N[C@H](C)c2nc(C)c(C)[nH]2)c1 2325731482 BCGKJXSGSBLHFK-CYBMUJFWSA-N 338.411 3.521 0 50 EHAA O=C(O)c1csc(C[C@H]2CCCN(C/C=C/c3ccccc3)C2)n1 2325777137 GLHYCUMUMMFKJG-KZJSRBBCSA-N 342.464 3.809 0 50 EHAA CC1CCN(C(=O)NC[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 2325900167 NNWCPSNBKANLSL-OAHLLOKOSA-N 335.879 3.608 0 50 EHAA O=C(c1cccc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 84477 VLJJABHBGDXSRX-UHFFFAOYSA-N 335.234 3.956 0 50 EHAA COc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C 103663 MKMWBFLKELMTTD-UHFFFAOYSA-N 347.724 3.511 0 50 EHAA Cn1c(=O)n(CCOc2ccc(Cl)cc2Cl)c2ccccc21 195449 VAATXGICUHXDAV-UHFFFAOYSA-N 337.206 3.726 0 50 EHAA CCOc1ccc(CN2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 212359 UKVLMUAKVYCBPY-LJQANCHMSA-N 344.499 3.700 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(C)c1 382074 ODKBIFZCHFWJJG-QGZVFWFLSA-N 336.435 3.912 0 50 EHAA CN(C)c1ccc(C(=S)N2CCCCC2)cc1Br 555885 IFSOGJDSAMELNI-UHFFFAOYSA-N 327.291 3.677 0 50 EHAA COc1ccc([C@H]2CC(=O)c3cnc(NCc4ccco4)nc3C2)cc1 2110054 FXMVAIWAXLKLCY-CQSZACIVSA-N 349.390 3.603 0 50 EHAA biogenic O=C(NCCNC1CCC(c2ccccc2)CC1)c1ccc(F)cc1 2851829 GJVRZACSKIGGPY-UHFFFAOYSA-N 340.442 3.872 0 50 EHAA CC(C)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1 4384054 XCXROYZPOGGKMX-UHFFFAOYSA-N 335.407 3.549 0 50 EHAA CC(=O)Nc1ccccc1NC(=O)COc1ccc(Cl)cc1C 4740402 WHTGJPXRYCYABY-UHFFFAOYSA-N 332.787 3.624 0 50 EHAA COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)s2)cc1OC 6726392 UGRAPFOTMXJUKL-SECBINFHSA-N 325.817 3.910 0 50 EHAA Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1Cl 25695065 WTXNDOWVNXQLLQ-UHFFFAOYSA-N 343.858 3.998 0 50 EHAA Cc1nc(Cn2ccc(-c3cccc(-c4cnn(C)c4)c3)n2)cs1 23145196 PYECJHPAXGKMFC-UHFFFAOYSA-N 335.436 3.764 0 50 EHAA CC(C)(C)OC(=O)Nc1ccc(F)cc1I 65336866 RVFPJEXQORZVIR-UHFFFAOYSA-N 337.132 3.777 0 50 EHAA Cc1ccc(-c2nnc(NC(=O)NCCc3ccc(C)o3)s2)cc1 23429683 AQZQVESNKWPESA-UHFFFAOYSA-N 342.424 3.779 0 50 EHAA S=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)NC1CC1 2778154 UHOLFBMFMGYLPD-UHFFFAOYSA-N 341.267 3.687 0 50 EHAA Cc1cc(N2CCCN(Cc3c(F)cccc3Cl)CC2)ccn1 72131887 IWTPKAHNUWWYPQ-UHFFFAOYSA-N 333.838 3.895 0 50 EHAA CC[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 328592473 VGRFNLCPSQTBJW-INIZCTEOSA-N 349.789 3.982 0 50 EHAA COc1cc(OC)c([C@H]2CC(O)=Nc3c2cnn3C(C)C)cc1OC 71280357 HHZYNGFMKZVQDQ-LLVKDONJSA-N 345.399 3.613 0 50 EHAA CCc1[nH]c2c(CNC(=O)c3nc(C)oc3C)cc(F)cc2c1C 71759672 BYRJBEKPXVIDMM-UHFFFAOYSA-N 329.375 3.713 0 50 EHAA Cc1cc(N2CCCN(c3cc(C)c4ccccc4n3)CC2)ccn1 77343003 NODROZRDGBIDBD-UHFFFAOYSA-N 332.451 3.963 0 50 EHAA c1ccc(Cn2ccnc2CN2CCCC[C@@H]2CCn2cccn2)cc1 77299945 MVGMGDGBANONAM-HXUWFJFHSA-N 349.482 3.573 0 50 EHAA CCc1nc(N)sc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 77284637 ZDQFNYCQNLAUNE-UHFFFAOYSA-N 347.459 3.522 0 50 EHAA Cc1cc(N2CCC(Cc3cccnc3)CC2)nc(-c2ccccn2)n1 367484765 JFSVHFDMROXWCQ-UHFFFAOYSA-N 345.450 3.701 0 50 EHAA FC(F)(F)CCc1ccnc(NCc2noc(C3CCCC3)n2)n1 71614551 RXSRWOZOCPYRHS-UHFFFAOYSA-N 341.337 3.624 0 50 EHAA Cc1cc(=O)oc2cc(NC(=S)N3C[C@@H](C)C[C@@H](C)C3)ccc12 13081302 GXFYWXNKLZRAAG-TXEJJXNPSA-N 330.453 3.776 0 50 EHAA CCOc1cc(CN(C)C(=O)c2csc(C(C)=O)c2)ccc1OC 215274961 XMNFXDSOYNVMFK-UHFFFAOYSA-N 347.436 3.630 0 50 EHAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)cc1 72474404 PSWDDYDXHZFCAH-INIZCTEOSA-N 349.434 3.803 0 50 EHAA COCC(=O)Nc1ccc(Cl)c(-n2ccnc2[C@@H]2CC=CCC2)c1 77356657 NNNGRBOZOKHRRL-CYBMUJFWSA-N 345.830 3.934 0 50 EHAA C[C@@H]1CC[C@@H](N(CCO)Cc2ccc(OCc3ccccn3)cc2)C1 240551708 GVMGBYIZLTYKPN-YLJYHZDGSA-N 340.467 3.644 0 50 EHAA Cc1ccc(Nc2nc(CN3C[C@@H](C)C[C@H](C(=O)O)C3)cs2)cc1 263110616 BSDSXXDVMLSKHH-KBPBESRZSA-N 345.468 3.738 0 50 EHAA COc1ccc(NC(=O)c2csc(NC(C)C)n2)cc1Cl 40287536 WTGJMZHFUNUUMR-UHFFFAOYSA-N 325.821 3.878 0 50 EHAA CN(Cc1ccc2ccccc2n1)C(=O)CCC(=O)Nc1ccccc1 223324175 FEHWCCPQUGLQEQ-UHFFFAOYSA-N 347.418 3.612 0 50 EHAA CCn1cc(CN(C)Cc2cnc(C3CCCCC3)nc2)c(C)n1 426488277 PSCDUKBEAXEFSN-UHFFFAOYSA-N 327.476 3.681 0 50 EHAA Cc1cc(N2C[C@@H]3CCN(Cc4cc5ccccc5o4)[C@@H]3C2)ccn1 82155924 CDMGTVVLKUAQHJ-FXAWDEMLSA-N 333.435 3.847 0 50 EHAA CC(C)N1C[C@@]2(CCCN(c3ccnc4ccccc34)C2)CCC1=O 82120701 ZJTVZOAUKHGQKJ-NRFANRHFSA-N 337.467 3.852 0 50 EHAA CCCc1ccc(C(=O)N2CC(Oc3cccc(OC)c3)C2)cc1 91819633 XBELIXPTFUJCHC-UHFFFAOYSA-N 325.408 3.551 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N[C@@H](c1ccccc1)[C@H]1C[C@H](O)C1 244899793 ZQFCUAPLQUGRGU-JYJNAYRXSA-N 344.480 3.817 0 50 EHAA c1ccc(-c2cnc(N[C@H]3CCO[C@H](c4cccnc4)C3)cn2)cc1 295865460 YQXKNDRCEFUVHI-HKUYNNGSSA-N 332.407 3.871 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 257345933 NFVCQZNBRFPYOP-YOIHCPPUSA-N 334.500 3.566 0 50 EHAA Cc1ccc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)nc1 184212118 YHWMHWZNYGMAEJ-AEFFLSMTSA-N 325.412 3.679 0 50 EHAA C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(C2CCCCC2)cc1 299783503 ZSRCXSHUFGDXLZ-AWEZNQCLSA-N 327.432 3.536 0 50 EHAA Cc1c(NC(=O)CCc2ccc(F)cc2F)cccc1C(=O)N(C)C 828070144 LLQPUWNWVLSPLV-UHFFFAOYSA-N 346.377 3.546 0 50 EHAA CCNC(=O)c1cccc(NC(=O)[C@@H]2C(C)=C2c2ccccc2)c1C 952987464 MMOGXRLVCZXKOD-LJQANCHMSA-N 334.419 3.787 0 50 EHAA CCO[C@@H](C)c1nc(Cc2ccc(OC)cc2)nn1CC(F)(F)F 952869373 JDPKPIACIPXNHJ-NSHDSACASA-N 343.349 3.537 0 50 EHAA CCCn1cc(C(=O)Nc2ccccc2CN2CCCCC2)c(C)n1 952985873 BECFGUGIADACEU-UHFFFAOYSA-N 340.471 3.840 0 50 EHAA O=C1N(CC2CC2)C2(CCC(C(F)(F)F)CC2)NC12CCCC2 164325230 RVDBOICXMVPHFF-UHFFFAOYSA-N 330.394 3.590 0 50 EHAA CC(C)(C)c1cc(CN[C@@H]2CCCN(Cc3cccs3)C2)[nH]n1 952965010 CMKGHGNKPBZWLT-CQSZACIVSA-N 332.517 3.523 0 50 EHAA COc1ccccc1CN1CCC[C@H](N(C)Cc2ccccn2)CC1 275705831 NNSDBTDZZKXWQN-FQEVSTJZSA-N 339.483 3.577 0 50 EHAA CC(=O)c1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nc1 278953230 XNBIXTWPKHMWRR-UHFFFAOYSA-N 326.371 3.523 0 50 EHAA CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C(C)(C)C)C1 408515309 FBUBHXKRSBVXCD-BQFCYCMXSA-N 347.503 3.826 0 50 EHAA Cc1ccccc1-c1noc([C@H](C)N2CCC[C@@H](c3ncc[nH]3)C2)n1 221818178 SJPPVDJSRIFZNX-LSDHHAIUSA-N 337.427 3.709 0 50 EHAA CC1(CN2CCC[C@H](C(=O)CCc3ccccc3)C2)CCOCC1 1506397487 UIGTXKAOSOXGJE-IBGZPJMESA-N 329.484 3.717 0 50 EHAA CSc1cccc(CN2CCC(Cc3ccc(O)nc3)CC2)c1 1772809053 KTRDJTCMPAVZHY-UHFFFAOYSA-N 328.481 3.964 0 50 EHAA Oc1cc(C2CCN(CCCOc3ccc(F)cc3)CC2)ccn1 1772819995 ZROMFORMZGQZGH-UHFFFAOYSA-N 330.403 3.575 0 50 EHAA O=C(CCc1ccsc1)N1CCO[C@H](CCCc2ccccc2)C1 11873559 RHFNCVFHCUOUQK-LJQANCHMSA-N 343.492 3.931 0 50 EHAA O=C(Nc1cccc(C(=O)N2CCCCC2)c1)NC1CCCCC1 14567952 CKIYMAWHMZKPBK-UHFFFAOYSA-N 329.444 3.767 0 50 EHAA COc1ccc(/C=C/C(=O)N2C(=O)OC[C@H]2c2ccccc2)c(C)c1 6266426 GYRCECKDAVJUMY-CKDFRHGISA-N 337.375 3.737 0 50 EHAA O=C(c1cccc(-c2cnco2)c1)N1CCOC2(CCCCC2)C1 408524347 ZRBKZBBZLQNDLX-UHFFFAOYSA-N 326.396 3.517 0 50 EHAA c1ccc2c(c1)CCC[C@H]2OCCCNc1ncnc2ncccc12 119478339 RXVDVFVQAWDXOS-GOSISDBHSA-N 334.423 3.921 0 50 EHAA COc1ccccc1[C@H]1CCCN(Cc2cncc(C(=O)O)c2)CC1 903912600 FGVHOEBHYQAISA-INIZCTEOSA-N 340.423 3.558 0 50 EHAA O=C(O)C12CCC(C(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)(CC1)C2 909728629 FJWDLYPQHKOKRW-ZGDXVETISA-N 341.451 3.549 0 50 EHAA CO[C@H](C)CCC(=O)N=S1(=O)c2ccccc2Nc2ccccc21 952995332 IXQQYKRGHHAODR-CYBMUJFWSA-N 344.436 3.971 0 50 EHAA Cc1ncc2n1CCN(Cc1coc(-c3ccccc3Cl)n1)C2 2325771895 ZFQJSOXUMYVIAJ-UHFFFAOYSA-N 328.803 3.516 0 50 EHAA O=C(NCCc1c[nH]c2cccnc12)c1ccc(-c2cccs2)cn1 2325823935 JEWMRZKOTAGLQQ-UHFFFAOYSA-N 348.431 3.659 0 50 EHAA c1cnc(Oc2ccc(CNc3ccc4c(c3)CNCC4)cc2)cn1 2325859427 YXKMURZQOXGPLW-UHFFFAOYSA-N 332.407 3.527 0 50 EHAA C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 14551 UYNVMODNBIQBMV-IERDGZPVSA-N 325.452 3.769 0 50 EHAA biogenic,world Cc1cc(C)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C 87118 AQDBVIXJRMCJEE-UHFFFAOYSA-N 328.437 3.815 0 50 EHAA Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N2 106842 WBANEZBZIRUWSH-NRFANRHFSA-N 337.419 3.705 0 50 EHAA O=C(NC(=S)Nc1ccccc1O)c1ccc(Cl)cc1Cl 456507 INBQXABDFURICG-UHFFFAOYSA-N 341.219 3.826 0 50 EHAA O=C(Nc1ccc(OC(F)F)cc1)c1ccc(Br)o1 1052388 BZOQBWREUGFGAB-UHFFFAOYSA-N 332.100 3.896 0 50 EHAA CC(C)(C)OC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 1164269 FEZQAKMEFIIEQN-UHFFFAOYSA-N 344.285 3.532 0 50 EHAA O=C(NCc1cccs1)c1ccc(COc2ccc(F)cc2)o1 2762640 BYTOEOBBWKJLNP-UHFFFAOYSA-N 331.368 3.989 0 50 EHAA O=C(CSc1nc2ccccc2s1)NCc1ccc(F)cc1 3503841 BXKXZORHPDECRH-UHFFFAOYSA-N 332.425 3.844 0 50 EHAA CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)cc1Cl 4011386 BECJYDHFTWZCLL-CYBMUJFWSA-N 343.210 3.575 0 50 EHAA CCOC(=O)[C@H](c1ccccc1)[C@H](C(=O)OCC)c1ccccc1 4776171 AMAMWUWLDQUKAP-QZTJIDSGSA-N 326.392 3.680 0 50 EHAA CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2ccccc2)CC1 7495629 UKOFXGJBUAKNCL-FQEVSTJZSA-N 338.451 3.501 0 50 EHAA NC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 9376702 LKVVWCKRPRKZAC-UHFFFAOYSA-N 330.387 3.556 0 50 EHAA CC(C)CCN1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2=O)C1 11818063 VNXGSLNBBSUNPG-HXUWFJFHSA-N 332.463 3.686 0 50 EHAA CC(C)N1CC[C@@H](CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)C1 11844088 UEBJHPRHGPDLLI-AWEZNQCLSA-N 348.878 3.552 0 50 EHAA Oc1cc(-c2ccccn2)cc2c1OCCN(Cc1ccsc1)C2 14969247 WDJPPSAJGKLTBB-UHFFFAOYSA-N 338.432 3.910 0 50 EHAA O=C(NCCc1cnc[nH]1)c1cc(-c2ccccc2)nc2ccccc12 15919412 XECSGZSYVINGGV-UHFFFAOYSA-N 342.402 3.597 0 50 EHAA Cn1ncc2c(C(=O)N[C@H]3CCCc4ccccc43)cc(C3CC3)nc21 20606965 SAMODAZRDTZGCM-SFHVURJKSA-N 346.434 3.653 0 50 EHAA Cc1cc(N2CCOCC2)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40216970 HPAUZYSTHCRNHU-UHFFFAOYSA-N 342.830 3.503 0 50 EHAA COCCN(Cc1ccc(C)cc1)Cc1ccc(NC(C)=O)cc1 55182716 ZQLVPNVUHSJDBA-UHFFFAOYSA-N 326.440 3.602 0 50 EHAA O=C1[C@H]2CCCN2[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 58047543 LJWJBMVGSLJWBD-SJORKVTESA-N 330.790 3.989 0 50 EHAA Cc1ccc2ncn(CC[C@H]3CCCCN3C3CCCC3)c(=O)c2c1 63845651 OPXNZTIIHHCBGT-GOSISDBHSA-N 339.483 3.892 0 50 EHAA COc1ccc(NC(=O)N2CCCC[C@@H]2CCn2ccnc2C)cc1 72168688 PBSZPHMNTBKLFJ-QGZVFWFLSA-N 342.443 3.677 0 50 EHAA Cc1cccnc1[C@H](NC(=O)c1cn2cc(Cl)ccc2n1)C1CC1 97137377 WVIZMCQFISLWFS-QGZVFWFLSA-N 340.814 3.572 0 50 EHAA CC(C)(C)Oc1ccccc1NC(=O)N(C[C@@H]1CCOC1)C1CC1 115778630 GHNGBGNNWRTRRI-AWEZNQCLSA-N 332.444 3.897 0 50 EHAA CC[C@H](SC)C(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F 132022690 STCRRTRWIOVVFQ-AWEZNQCLSA-N 339.411 3.598 0 50 EHAA Cn1ccnc1-c1cccc(NC(=O)N2CCc3sccc3C2)c1 150876238 WXCGBSNQGXLTJF-UHFFFAOYSA-N 338.436 3.739 0 50 EHAA CC[C@@H]1CCCCCN1C(=O)c1cc(N2CCCC2=O)ccc1F 157196781 PIYYZVRLLTWKJX-CQSZACIVSA-N 332.419 3.747 0 50 EHAA COC(=O)c1cc(NCc2ccsc2)ccc1Br 170593291 FSPSVGZQJMBYJF-UHFFFAOYSA-N 326.215 3.909 0 50 EHAA COc1cccc2[nH]cc(CC(=O)Nc3nc4c(s3)CCCC4)c12 180016508 PNAXBNKBNVTEEL-UHFFFAOYSA-N 341.436 3.693 0 50 EHAA O=S(=O)(Cc1noc2ccccc12)N1CCC[C@H]1C1CCCCC1 185706038 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O=C1CC[C@@H](CCNCc2ccccn2)N1C1CCCCCCC1 11913643 QTXSXBVMNVBVGF-IBGZPJMESA-N 329.488 3.665 0 50 EHAA CN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)C1CCCC1 12442254 BAQYAAAEGCEWFX-SFHVURJKSA-N 346.490 3.729 0 50 EHAA COc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1OC 13954776 PKGLSJJMEUJJCU-UHFFFAOYSA-N 326.396 3.556 0 50 EHAA COc1ccc([C@@H]2CCCN2C(=O)CCCn2cccc2)c(OC)c1 158698630 AEOSGELDNFLPSO-SFHVURJKSA-N 342.439 3.649 0 50 EHAA CCOc1ccc(C=Cc2nc3c(s2)CCC[C@H]3C(=O)NC)cc1 1857531874 CXDVIJWIXBUIHZ-OAHLLOKOSA-N 342.464 3.878 0 50 EHAA Cc1c(Cl)cncc1C(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1 457838707 QDECXDWGEWVZKK-HNNXBMFYSA-N 339.222 3.502 0 50 EHAA CC1(C)C(=O)Nc2ccc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)cc21 493442436 LWVXFYGBEDKLGE-UHFFFAOYSA-N 346.390 3.559 0 50 EHAA CCCCc1nc(Cn2cc([C@H](O)c3ccccc3)cn2)cs1 902852085 JYGGEWAHRJQBER-GOSISDBHSA-N 327.453 3.812 0 50 EHAA Cc1cc(NC(=O)N2CCC(C)(C)[C@@H](c3ccccc3)C2)nn1C 930500551 VYFNYXDQZBWGBK-MRXNPFEDSA-N 326.444 3.776 0 50 EHAA CC(C)[C@@H](c1cccnc1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 1875254603 WTRKZPFTPAKAEV-IBGZPJMESA-N 334.423 3.941 0 50 EHAA Cc1noc2nc(C(C)C)cc(C(=O)N[C@@H]3C[C@H]4C[C@H]3CC4(F)F)c12 1875358054 HSZDRRQRWZATAR-MISXGVKJSA-N 349.381 3.818 0 50 EHAA Cc1cnccc1-c1ccc(C(=O)N2CC[C@@]3(CC=CCO3)C2)s1 1875301835 SCRLPVXWKFRLGA-IBGZPJMESA-N 340.448 3.680 0 50 EHAA CC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(F)cc2)cc1 4581137 SOFQXERJWDXQTP-QGZVFWFLSA-N 345.370 3.559 0 50 EHAA CC(C)(C)n1nccc1CNc1ccc([C@@H](O)C(F)(F)F)cc1 2325774129 CKMTZKDEAKRQAN-CQSZACIVSA-N 327.350 3.846 0 50 EHAA Cc1cc(C)c2cc(CNC[C@]3(c4ccccc4)CCC(=O)N3)[nH]c2c1 2325788804 HRAFSXVWJDZYLN-QFIPXVFZSA-N 347.462 3.680 0 50 EHAA CSCc1nc([C@@H]2CCN3CCC[C@H]3C2)n(-c2cccc(F)c2)n1 2325848314 DHVDYTFWDAIERW-HIFRSBDPSA-N 346.475 3.611 0 50 EHAA CCCn1cnc2scc(-c3ccc(OC)c(OC)c3)c2c1=O 148893 PCCKFTDWQMLDAG-UHFFFAOYSA-N 330.409 3.552 0 50 EHAA CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 259662 KQQUINUVGGNOAQ-UHFFFAOYSA-N 327.380 3.730 0 50 EHAA Cc1cc(NC(=O)[C@H]2COc3ccccc3O2)ccc1Br 454197 OSDBOSPIWLGYSL-OAHLLOKOSA-N 348.196 3.536 0 50 EHAA COC(=O)c1cn(C(=O)COc2cc(C)ccc2C)c2ccccc12 533439 AZMOVSURZNIATH-UHFFFAOYSA-N 337.375 3.764 0 50 EHAA CCn1cc([C@@H]2CC(=O)N(c3cccc(OC)c3)C2=O)c2ccccc21 2126778 CEWCQDFZKNQARK-KRWDZBQOSA-N 348.402 3.717 0 50 EHAA biogenic Cc1cc(C(=O)N2CC[C@@H](c3ccccc3)[C@H](O)C2)ccc1Cl 2356137338 WFIOKLFRWUQHJC-FUHWJXTLSA-N 329.827 3.639 0 50 EHAA CCCCOc1ccc(C(=O)CCN[C@H](C(=O)O)[C@@H](C)CC)cc1 4195664 LWUHBOOSZNTMQV-KSSFIOAISA-N 335.444 3.527 0 50 EHAA CCN1C(=O)C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21 4302863 TZPXYCYKOYZUNZ-UHFFFAOYSA-N 345.398 3.799 0 50 EHAA C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 4777425 GINUYENTGIUWND-JTQLQIEISA-N 337.297 3.925 0 50 EHAA O=C(CCc1ccccc1)Nc1ccccc1C(=O)N1CCCCC1 6700755 ACSVDVPQRGSMAW-UHFFFAOYSA-N 336.435 3.884 0 50 EHAA CCOc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc1 10156059 GDAAOKSHWJQJKV-KRWDZBQOSA-N 341.407 3.895 0 50 EHAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]21 101391559 LGKLVUFOKKZNPJ-BQGCOEIASA-N 327.811 3.906 0 50 EHAA C[C@H](N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)N(C)Cc1cccc(F)c1 248110061 JYMASZPBWQIMJG-NDVSXACPSA-N 332.463 3.587 0 50 EHAA Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)c1 20277195 IPMNVBRCXYMTHX-KRWDZBQOSA-N 342.826 3.892 0 50 EHAA Cc1noc(C)c1Cn1cnc(-c2ccccc2)c1-c1ccc(CO)o1 65375475 WDSSSBQZYSQKFQ-UHFFFAOYSA-N 349.390 3.956 0 50 EHAA Cc1cncc(/C=C/C(=O)Nc2ccccc2-n2nc(C)cc2C)c1 119273614 LXYOSMHUAYZTEL-CMDGGOBGSA-N 332.407 3.844 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)no1 21718732 HMTMPXSFRAORIU-MRXNPFEDSA-N 341.342 3.754 0 50 EHAA CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@@H]2CCCC[C@@H]21 229432541 ZGUZRCVNFBUXKZ-RDJZCZTQSA-N 328.522 3.540 0 50 EHAA COc1ccc(-c2nccn2Cc2ccccn2)cc1CN1CCCC1 67725217 KAILMMXBSWMJMI-UHFFFAOYSA-N 348.450 3.598 0 50 EHAA O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1n[nH]c2ccccc12 144029456 QMLVJUFDAVFAIE-MRXNPFEDSA-N 347.378 3.543 0 50 EHAA CCOC(=O)[C@H](C)On1c(-c2ccccc2)nc2ccc(Cl)cc21 1389391 CVVVLVVQDQVXSK-LBPRGKRZSA-N 344.798 3.737 0 50 EHAA O=C(c1ccc(Cl)cn1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 72427184 RTJFFVVGXVSCLT-HNNXBMFYSA-N 344.777 3.728 0 50 EHAA C[C@@H](O)C[C@H]1CCCN1C(=O)Nc1nc2c(s1)CCCC2(C)C 331806291 WMVGICKTULLOBO-VXGBXAGGSA-N 337.489 3.524 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N(C)Cc3noc4c3CCCC4)c2c1 77427102 OOUFFSYNVPRLOL-UHFFFAOYSA-N 349.434 3.991 0 50 EHAA CS(=O)(=O)Cc1cccc(NC2CC(c3ccccc3F)C2)c1 126423501 UYEXYXQAGVHUIH-UHFFFAOYSA-N 333.428 3.728 0 50 EHAA O=C(c1cc2sccc2[nH]1)N1CCC2(CC1)OCc1ccccc12 253433652 ZTDXKZITVWFRBV-UHFFFAOYSA-N 338.432 3.891 0 50 EHAA CC(C)c1cc(Cn2ccnc2-c2cccc(Cn3cccn3)c2)on1 72163208 MDRPYNJINHMLRS-UHFFFAOYSA-N 347.422 3.955 0 50 EHAA O=C(Cc1ccncc1)N(Cc1cccs1)C1Cc2ccccc2C1 375969827 RKPMFCFRJHTKMH-UHFFFAOYSA-N 348.471 3.882 0 50 EHAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc(C)c(OC)c(C)c2)C1 71315170 UMSBIISNXXWGFK-MRXNPFEDSA-N 341.455 3.617 0 50 EHAA Cc1cc(NC(=O)NC2CCC(C(=O)O)CC2)c2ccccc2c1 263009580 HIACXGWGTSLYKW-UHFFFAOYSA-N 326.396 3.913 0 50 EHAA CCc1ccc([C@H]2CCCN2C(=O)NCc2nnc(C(C)C)s2)o1 241338623 MCOBSGPBQCQCOI-CYBMUJFWSA-N 348.472 3.864 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1 43681913 OUHZVJQYJUWAIE-MRXNPFEDSA-N 347.436 3.684 0 50 EHAA C[C@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cn3)cc2)C[C@@H](C)O1 426526794 DUHBEXJETQHVOV-BETUJISGSA-N 330.815 3.651 0 50 EHAA CN(C)c1ccc(C(=O)N2CCCC[C@@H]2CCCO)c2ccccc12 223251554 PLEKVEVHJUWESU-MRXNPFEDSA-N 340.467 3.673 0 50 EHAA O=C(NCCC12CCCN1CCC2)C1(c2ccc(Cl)cc2)CCC1 220152764 DPMIZTFWASQAAX-UHFFFAOYSA-N 346.902 3.896 0 50 EHAA CSc1ccc(CNC(=O)CCc2nc3ccc(F)cc3[nH]2)cc1 97547599 LPYPVIRLNCREMV-UHFFFAOYSA-N 343.427 3.673 0 50 EHAA Cc1ccnc([C@H](NC(=O)c2c[nH]nc2-c2ccccc2)C2CC2)c1 97711728 QXWPBGHMOPXDPZ-LJQANCHMSA-N 332.407 3.661 0 50 EHAA CC(C)(C)n1nc(C2CCOCC2)nc1-c1ccc2c(c1)CCO2 96138477 FIZVTEDLMZJTNO-UHFFFAOYSA-N 327.428 3.529 0 50 EHAA CCCc1nc(C(=O)N2CC(Oc3cccc(CC)c3)C2)cs1 91965496 KBDWNVIARHGJEV-UHFFFAOYSA-N 330.453 3.561 0 50 EHAA O[C@@H](c1c(-c2ccccc2)nc2ncccn12)C(Cl)(Cl)Cl 334163559 WWMULRGPNVVQHG-LBPRGKRZSA-N 342.613 3.800 0 50 EHAA CC(C)Cn1cncc1CNC(=O)N1CC=C(c2ccccc2)CC1 534639358 WNSUTZRSHYUKJB-UHFFFAOYSA-N 338.455 3.538 0 50 EHAA CCN(CC)CC1(NC(=O)N(Cc2ccc(C)s2)C2CC2)CC1 534646739 YQKPATUTHGZTFP-UHFFFAOYSA-N 335.517 3.605 0 50 EHAA CCc1ccc(CN(C)C(=O)N[C@@H](C)COc2ccccc2C)nc1 534589067 CHXRMZQOSUXZLO-INIZCTEOSA-N 341.455 3.561 0 50 EHAA CCc1nccn1CCC(=O)N[C@@H](CC)C12CC3CC(CC(C3)C1)C2 299777930 ICEQLOOCMSEDPJ-QQABJKMWSA-N 343.515 3.947 0 50 EHAA COCC1(NC(=O)[C@@H]2CCCc3c2[nH]c2ccccc32)CCCC1 952872377 NAWHOLLVBGFTQQ-MRXNPFEDSA-N 326.440 3.663 0 50 EHAA Cn1c([C@H]2CCCN2Cc2cnc(Cl)s2)nc2c1CCCC2 276144186 ZBZQIAZQROPNNF-CQSZACIVSA-N 336.892 3.746 0 50 EHAA OCC[C@H](Nc1ncc(Br)cc1Cl)c1ccco1 276917498 OKFMJSFOASENHN-JTQLQIEISA-N 331.597 3.626 0 50 EHAA O[C@H](CNc1nc(C2CC2)ns1)c1cccc(C(F)(F)F)c1 170022202 JBGSJCZMGMQLMQ-LLVKDONJSA-N 329.347 3.580 0 50 EHAA O=C(NC1(c2csc([C@H]3CCCO3)n2)CCCCC1)C(F)(F)F 408524397 TZAFVXLYIVCVFP-SNVBAGLBSA-N 348.390 3.833 0 50 EHAA O=C(O)c1cccnc1CN1CCCC[C@H]1Cc1ccccc1F 652507378 BNKCLGFIINGZLC-HNNXBMFYSA-N 328.387 3.516 0 50 EHAA CSc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)cc1 216583568 DTGKILKGJGFPPQ-RDJZCZTQSA-N 345.512 3.747 0 50 EHAA O=C(c1ccccc1C(F)(F)F)N1CCC[C@@]2(CCc3c[nH]nc32)C1 1775983086 RVTCRMIVUYGDMT-QGZVFWFLSA-N 349.356 3.549 0 50 EHAA Cc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)c(Cl)c1 1772816907 WVKIIDPDHCVDLK-UHFFFAOYSA-N 337.810 3.787 0 50 EHAA C[C@@H]1CCCCN1C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 11095932 UXVGRCGPMUYCCC-CQSZACIVSA-N 348.874 3.593 0 50 EHAA CN(C(=O)c1cccs1)[C@@H]1CCCN(CCc2ccccc2)C1 11717824 WKEPDDPZWZQBDA-QGZVFWFLSA-N 328.481 3.527 0 50 EHAA CC[C@@H](C)C(=O)NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 11790259 SGACGIQMWSTNTM-MLGOLLRUSA-N 344.842 3.868 0 50 EHAA c1ccc(C(C[C@@H]2CN(Cc3c[nH]cn3)CCO2)c2ccccc2)cc1 11819347 MXHBHQXZAQRGQI-OAQYLSRUSA-N 347.462 3.833 0 50 EHAA Cc1cccc(C(C)C)c1NC(=O)CCn1cnc2ccccc2c1=O 11867220 HWNAATJXUNMLAN-UHFFFAOYSA-N 349.434 3.857 0 50 EHAA C[C@H](CC(=O)N[C@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 12383389 JNDAQUMQXJWVKQ-BRWVUGGUSA-N 338.451 3.767 0 50 EHAA Cc1ccccc1CN1CCC[C@](CO)(Cc2ccccc2F)C1 15063844 AOGRTSVVLADOCG-NRFANRHFSA-N 327.443 3.951 0 50 EHAA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)[C@@H]21 18167875 DMPSOXOMPHMNQE-UIAACRFSSA-N 347.414 3.967 0 50 EHAA COc1cccc(-c2nc(C(C)C)[nH]c2-c2oc(C)cc(=O)c2O)c1 1857526612 OXEYRBVZHSXLLU-UHFFFAOYSA-N 340.379 3.843 0 50 EHAA CCc1oc(C(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)cc1CN1CCCC1 1857679940 BMVJBTILSRGSQG-JZXOWHBKSA-N 344.499 3.994 0 50 EHAA COc1cc(Cl)ccc1CNC(=O)N1CCC[C@@H]1c1cc(C)no1 331582459 JGICPMVFYPGPNN-CQSZACIVSA-N 349.818 3.692 0 50 EHAA CC(=O)Nc1cc(Cl)ccc1NC(=O)CCCc1nccs1 240900765 ITRJWPPPHPHQCV-UHFFFAOYSA-N 337.832 3.716 0 50 EHAA Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)[C@@H]1C[C@@H](C)CCO1 252509268 YIVFAOUNIAIQOB-WFASDCNBSA-N 343.427 3.922 0 50 EHAA Cn1cc(NC(=O)c2ccnc(NC3CCC3)c2)c(-c2ccccc2)n1 901318947 YGJDYSPHVAGLFX-UHFFFAOYSA-N 347.422 3.699 0 50 EHAA O=C(NC1CC1)c1ccc(Oc2ccnc(-c3ccccc3)n2)cc1 1875255526 YJBWRYGMCDIVPH-UHFFFAOYSA-N 331.375 3.828 0 50 EHAA Cn1c(-c2cccc(OC[C@H]3C[N@@]3CC3CC3)c2)nc2ccccc21 1875385275 PVUPUQLIKHUSJH-MZNJEOGPSA-N 333.435 3.713 0 50 EHAA Cc1cc(Oc2ccccc2)nc(Nc2cnn(-c3ccncc3)c2)n1 1875333799 MAFMIANQRZABLQ-UHFFFAOYSA-N 344.378 3.902 0 50 EHAA CCc1nc2c(-c3nc([C@H]4CCCCC4(F)F)no3)ccnc2[nH]1 2325772411 PTNYCUPBBOWVHY-SNVBAGLBSA-N 333.342 3.863 0 50 EHAA C[C@@H](NCc1cccc(C(=O)N2CCCC2)c1)c1cccc2[nH]ncc12 2325809758 IAJYSOCFSPQFHS-OAHLLOKOSA-N 348.450 3.650 0 50 EHAA Cc1cccc2c1OC[C@H](NCc1ccc(-n3cnc(C)c3C)cc1)C2 2325858937 HHKCDQVEBQSISC-HXUWFJFHSA-N 347.462 3.891 0 50 EHAA CCc1ccc(N2C(=O)C(Cl)=C(N(C)C3CCCCC3)C2=O)cc1 144913 VCQISMWRAWUMGO-UHFFFAOYSA-N 346.858 3.837 0 50 EHAA CCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)c1 361080 ZHHVLHWKSYKPBV-UHFFFAOYSA-N 334.828 3.866 0 50 EHAA COc1ccc(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)cc1 1060081 YPBCJJBDNPLFON-UHFFFAOYSA-N 337.331 3.760 0 50 EHAA COC1(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CCC(C)CC1 225429733 XJQVBKPIBBJDTR-SGJMOYSZSA-N 337.410 3.780 0 50 EHAA Cc1oc(-c2ccccc2Cl)cc1C(=O)NCc1csc(N)n1 55120036 AGNUIVKEQOYLQI-UHFFFAOYSA-N 347.827 3.877 0 50 EHAA COc1cccc(NC(=O)N2CCN=C2c2cccc(Cl)c2)c1 170283462 MKDGCTCPCINVES-UHFFFAOYSA-N 329.787 3.643 0 50 EHAA O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)NCc1ccccn1 170622097 ZNRUOFUAVYWGIF-GOSISDBHSA-N 339.826 3.832 0 50 EHAA Fc1ccc(C2=C[C@H](c3cccc(Cl)c3)n3nnnc3N2)cc1 100773332 ZAHWGPXZBKHYLE-OAHLLOKOSA-N 327.750 3.522 0 50 EHAA Cc1cncc(C(=O)N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1 65406170 NSKAOMUCASLEPV-LEWJYISDSA-N 346.430 3.534 0 50 EHAA Fc1ccccc1CN1CCC[C@@]2(CCN(c3nccs3)C2)C1 72168331 OTRAJUGJBODBSQ-GOSISDBHSA-N 331.460 3.775 0 50 EHAA Cc1csc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)n1 72474268 UXUPPFWDYOYLJW-CYBMUJFWSA-N 332.469 3.646 0 50 EHAA O=C(NCc1ccccc1-n1ccnc1)c1c[nH]nc1C1CCCCC1 69394382 XIPCOWDWGROVQH-UHFFFAOYSA-N 349.438 3.573 0 50 EHAA CCCc1cc2c(=O)n([C@@H](C)Cc3cccc(C)n3)cnc2s1 43082547 VLIBGBPDXVTKLG-ZDUSSCGKSA-N 327.453 3.918 0 50 EHAA CCCCc1nc2cc(C(=O)N(CC)CCN(CC)CC)ccc2o1 12023127 FEPBRTFSWCYUTN-UHFFFAOYSA-N 345.487 3.974 0 50 EHAA C[C@@H]1CCc2c(sc3ncn([C@H](C)Cc4cccnc4)c(=O)c23)C1 32577795 IEDUBZLQTRUNES-CHWSQXEVSA-N 339.464 3.782 0 50 EHAA Cc1ccccc1C(=O)Nc1ncn(Cc2c(F)cccc2Cl)n1 2795485 YBRFDQKVNLRICA-UHFFFAOYSA-N 344.777 3.680 0 50 EHAA O=c1c2ccccc2ncn1CC[C@H]1CCCCN1C1CCCC1 32577715 WPJSUSAEMWUDBL-QGZVFWFLSA-N 325.456 3.584 0 50 EHAA O=C1CCCN1CC[C@H]1CCCCN1Cc1cc(F)cc(Cl)c1 77427831 HIFSXRZQCGVARH-QGZVFWFLSA-N 338.854 3.846 0 50 EHAA COC(=O)[C@H]1CC[C@H](C(=O)Nc2cnccc2-c2ccccc2)CC1 253432059 ZRDPIBIATOLWQW-WKILWMFISA-N 338.407 3.667 0 50 EHAA Cc1ncc(NC(=O)N2CCC=C(c3ccccc3)C2)c(C2CC2)n1 367482161 AVJGXOJRDGGQQM-UHFFFAOYSA-N 334.423 3.984 0 50 EHAA Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)c1 36620876 JKVJDAGSNZFVNQ-QGZVFWFLSA-N 333.428 3.968 0 50 EHAA Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 374439353 UUASTVRNFFMSBY-HUUCEWRRSA-N 334.485 3.608 0 50 EHAA Cc1cccc(OC2CCN(C(=O)c3ccc4nccnc4c3)CC2)c1 77436480 YBIQASQXZZUFOF-UHFFFAOYSA-N 347.418 3.622 0 50 EHAA CCC(CC)(NC(=O)C[C@@H]1CCCC(=O)N1)c1ccc(Cl)cc1 288452570 RPBIHPQCPUCLCH-HNNXBMFYSA-N 336.863 3.530 0 50 EHAA CC1(C)CN(C(=O)Cc2n[nH]c3ccccc23)[C@H]1c1cccs1 288483487 COUQZIMRRRLXBT-KRWDZBQOSA-N 325.437 3.777 0 50 EHAA C[C@H](NC[C@H]1CCC=CO1)[C@H](OC1CCOCC1)c1ccccc1 241287502 LLZCFVYVWFMQID-DBVUQKKJSA-N 331.456 3.594 0 50 EHAA O=C(CCc1nnc(C2CCCC2)o1)N[C@@H]1CCc2cc(F)ccc21 177949079 XEKHSZBAUFMVMG-MRXNPFEDSA-N 343.402 3.603 0 50 EHAA C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)Cc2ccc(C(=O)O)cc2)C1 263366886 WKLWLRZHUBUGAX-ACJLOTCBSA-N 341.382 3.676 0 50 EHAA CC(C)Cc1cc(CN2CCc3n[nH]c(-c4ccccc4)c3C2)[nH]n1 19224644 IUQYAAHSIKWXCW-UHFFFAOYSA-N 335.455 3.557 0 50 EHAA CC1(C)CCC[C@@H](N2CCC3(CC2)Nc2ccccc2NC3=O)C1 82121671 DPRKPQUBJGJGNT-OAHLLOKOSA-N 327.472 3.854 0 50 EHAA COCC1(C(=O)NCC[C@H](c2ccc(F)cc2)c2ccco2)CCC1 97568899 NRXWJQWGMKBMCX-QGZVFWFLSA-N 345.414 3.874 0 50 EHAA CCc1oc2c(NC(=O)N(C)CCc3cnn(C)c3)cccc2c1C 97370335 IFGMHQVVUFOGNB-UHFFFAOYSA-N 340.427 3.744 0 50 EHAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)Nc1ncccn1 91966403 WBJOBPDETKNRKH-CQSZACIVSA-N 326.448 3.519 0 50 EHAA Cc1ccccc1CC1(NC(=O)c2cc(-c3ccccc3O)n[nH]2)CC1 91769730 QXQGYXPGICKWLN-UHFFFAOYSA-N 347.418 3.596 0 50 EHAA O=C(O)c1ccc([C@H]2CCCN(C(=O)CCc3cccs3)C2)cc1 95366318 VSOGPQQPXQOXBP-INIZCTEOSA-N 343.448 3.785 0 50 EHAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@H]1C=C[C@H]2C12CC2 244719198 LYQGQFOGIJZQNF-JYILRKAJSA-N 334.202 3.695 0 50 EHAA Cc1noc(Cl)c1CCC(=O)Nc1cc(C2CCCC2)nn1C 184048978 YGVWYSIKIQYFGD-UHFFFAOYSA-N 336.823 3.599 0 50 EHAA Cc1cc2cccc(NC(=O)NCc3cncn3CC(C)C)c2o1 299771744 WESSBOVDPWKZNF-UHFFFAOYSA-N 326.400 3.915 0 50 EHAA CC[C@@H](NC(=O)c1cccc(-n2cccn2)c1)c1nc(C)c(C)s1 822668752 BVGRVBBWKIISMQ-MRXNPFEDSA-N 340.452 3.827 0 50 EHAA COC(=O)c1scc(C)c1NC(=O)N1CC[C@H](c2ccccc2)C1 170602768 BNLOZWFJYZHJIY-AWEZNQCLSA-N 344.436 3.865 0 50 EHAA O=C(c1cncc(Cl)c1)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529180219 DQMYIZDZEDNTCH-ZWKOTPCHSA-N 342.826 3.727 0 50 EHAA Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 5347564 CCWJIADCBJMKSL-LBPRGKRZSA-N 347.798 3.826 0 50 EHAA Cc1ccsc1C(=O)N1CC[C@@]2(CCCN(CC(C)(C)C)C2=O)C1 11717496 CPXJCYOCYIFDPQ-IBGZPJMESA-N 348.512 3.557 0 50 EHAA C1=CC[C@@H](CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)CC1 12717792 HWAYNOZDDDKJOU-CQSZACIVSA-N 338.407 3.785 0 50 EHAA O=C(C1=CCCCC1)N1CCC[C@](CO)(CCOc2ccccc2)C1 14971135 DYUDCZXBSDNINK-NRFANRHFSA-N 343.467 3.557 0 50 EHAA Cc1ccc(C)c(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2N)c1 16649212 LOBMBQITDIXTHR-UHFFFAOYSA-N 349.438 3.842 0 50 EHAA COc1ccc(Cl)cc1CN(C)C(=O)c1nc2ccccn2c1C 1857695948 GCIBLJZXGSZDJI-UHFFFAOYSA-N 343.814 3.577 0 50 EHAA C=Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)cc1 241588207 PATYMIFUUFWIDK-AWEZNQCLSA-N 343.448 3.614 0 50 EHAA Cc1cnc(C(=O)N2CC(C)(C)c3cccc(C(F)(F)F)c32)cn1 864233218 IDYYLYXFYWEEMR-UHFFFAOYSA-N 335.329 3.742 0 50 EHAA Cn1cc([C@@H]2CCCCN2C(=O)C2CC[C@@H]3[C@@H](CC2)C3(F)F)cn1 1875276168 YPRMYWSYCCBXOI-OAGGEKHMSA-N 337.414 3.545 0 50 EHAA CN(C(=O)C[C@@H]1CCNC[C@@H]1F)c1ccc(Oc2ccccc2)cc1 888101860 PNLBINQLSTWINK-KXBFYZLASA-N 342.414 3.779 0 50 EHAA COC(OC)[C@H]1Nc2ccccc2C(=O)N1c1ccc(C)c(Cl)c1 1431496 HSWRWNAAHYWFHN-INIZCTEOSA-N 346.814 3.666 0 50 EHAA Cc1cnc([C@H](C)Nc2cnn(Cc3cc(F)ccc3Cl)c2)[nH]1 2325773879 QRYLCXMDXFJXCH-NSHDSACASA-N 333.798 3.929 0 50 EHAA O=C(COC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1)c1ccoc1 2325873937 ZNHGALIDLKJCCS-UHFFFAOYSA-N 346.342 3.863 0 50 EHAA O=S(=O)(NCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 459790 PMEGKWCXNRQEDY-UHFFFAOYSA-N 334.199 3.611 0 50 EHAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCCC1 528120 JWVHDNAXDKPKFE-UHFFFAOYSA-N 325.474 3.692 0 50 EHAA Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNCc2ccccc2)CCCC1 571521 MQJVMBQJHBLUAH-IBGZPJMESA-N 348.490 3.979 0 50 EHAA COc1cc2c(cc1OC)[C@H](c1ccc(SC)cc1)CC(=O)N2 612050 ISCKSHJFWWLCCQ-ZDUSSCGKSA-N 329.421 3.900 0 50 EHAA COC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 617018 GGBRGBIRIOYGSC-UHFFFAOYSA-N 347.436 3.508 0 50 EHAA COc1cc(NC(=O)CCSc2ccccc2)cc(OC)c1OC 4814550 YIWVCLHUNVPMNV-UHFFFAOYSA-N 347.436 3.833 0 50 EHAA c1ccc(SCc2nnc3sc(-c4ccncc4)nn23)cc1 6670436 WZGFOOBBVVBAMY-UHFFFAOYSA-N 325.422 3.540 0 50 EHAA CC(C)C[C@@H](C(=O)Nc1n[nH]c(CCC2CCCC2)n1)n1cccc1 409413182 FJJVPDDYNYWQFN-INIZCTEOSA-N 343.475 3.955 0 50 EHAA OC1(c2ccccn2)CCN(CCCc2ccccc2Cl)CC1 20322251 VSJKSITYWRYPTJ-UHFFFAOYSA-N 330.859 3.651 0 50 EHAA CCC1(CC)CCN(C(=O)c2cc(COc3cccc(F)c3)[nH]n2)C1 67691098 KZJFQDCHQALJMD-UHFFFAOYSA-N 345.418 3.780 0 50 EHAA COc1ccc(F)c(-c2nc(CN(C)[C@@H](C)c3ccon3)c(C)o2)c1 11842986 RCYOGDVVUDKWCX-NSHDSACASA-N 345.374 3.979 0 50 EHAA O=C(NC(=O)c1cccs1)Nc1ccc(OC(F)(F)Cl)cc1 91524 HQKARTRMJWSHFO-UHFFFAOYSA-N 346.742 3.878 0 50 EHAA CC(C)Oc1ccc([C@H](CC(=O)O)NC(=O)C2CCCCC2)cc1 104989 VFCHVBHBDLYYGY-KRWDZBQOSA-N 333.428 3.686 0 50 EHAA COc1cc(OC)c(CN2C[C@@H](C)C[C@@H](C)C2)cc1Br 757840 RHMRLBQJBNGYLK-TXEJJXNPSA-N 342.277 3.944 0 50 EHAA CC(C)(C)[C@@H](O)[C@@H](Oc1ccc(-c2ccccc2)cc1)n1cncn1 967750 VGPIBGGRCVEHQZ-RBUKOAKNSA-N 337.423 3.930 0 50 EHAA biogenic,in-vitro O=C(Nc1ccccc1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F 1402810 DSENVSORJPEBJV-HNNXBMFYSA-N 338.329 3.644 0 50 EHAA Cn1c(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)nc2ccccc21 2735565 UDJATMXEQPFERC-KBPBESRZSA-N 325.799 3.969 0 50 EHAA CC(=O)O[C@@H]1CS[C@H]2c3ccccc3C(=O)N2Cc2sccc21 4108890 FGEJKORVRVLUJI-PBHICJAKSA-N 345.445 3.754 0 50 EHAA Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)c1 72442072 GRSJNZBEMXOPIO-QGZVFWFLSA-N 338.451 3.631 0 50 EHAA CCc1noc(C)c1C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 77287697 WLALIBGYUBEQIR-CQSZACIVSA-N 346.402 3.616 0 50 EHAA CC[C@H](Sc1ccccc1)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C 253417784 MAZIMXRLHJJTJY-BQFCYCMXSA-N 332.513 3.643 0 50 EHAA CCOc1ccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)cc1 33321041 HIBQSQZHERXBCW-UHFFFAOYSA-N 347.724 3.743 0 50 EHAA C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ncn(-c2ccccc2)n1 154025323 CCPUNBGXKLXOLL-AWEZNQCLSA-N 346.390 3.847 0 50 EHAA OC[C@H]1CN(Cc2cc3ccccc3nc2O)CC[C@H]1c1ccccc1 367205177 HCGQPFHMIYLEDF-UXHICEINSA-N 348.446 3.538 0 50 EHAA CC(C)C[C@@H](O)C1CCN(Cc2cnc(CC3CCCC3)[nH]2)CC1 77505298 QQCOYFJJSUDGRG-LJQANCHMSA-N 333.520 3.761 0 50 EHAA Cc1oc2c(c1C(=O)N(C)Cc1csc(C(C)C)n1)C(=O)CCC2 222800841 AMPBHVDLSLRIJI-UHFFFAOYSA-N 346.452 3.959 0 50 EHAA COc1ccc(-c2ocnc2C(=O)N2CC3(CCC3)[C@H]2C2CC2)cc1 291834195 GFJUTKSSTRAPGM-GOSISDBHSA-N 338.407 3.755 0 50 EHAA COc1ccc(-c2ocnc2C(=O)N2CC3(CCC3)[C@@H]2C2CC2)cc1 291834202 GFJUTKSSTRAPGM-SFHVURJKSA-N 338.407 3.755 0 50 EHAA Cc1cnc(CNC(=O)N(C/C=C/c2ccccc2)CC(C)C)[nH]1 426485678 IMWBBXSUWYDJCH-JXMROGBWSA-N 326.444 3.599 0 50 EHAA CC[C@H](NC(=O)Nc1ccc(OC(F)F)cc1C)c1cnn(C)c1 97551492 SXZHJQJGEUSIFX-ZDUSSCGKSA-N 338.358 3.603 0 50 EHAA CNC(=O)c1cccnc1-c1ccccc1OCc1cccc(F)c1 97570980 WIFKPCXCNIOLIK-UHFFFAOYSA-N 336.366 3.826 0 50 EHAA Cc1sc2ncnc(N3C[C@@H]4CC[C@H](C3)N(CC3CC3)C4)c2c1C 95512223 OITWZYAMCSQAJL-HZPDHXFCSA-N 342.512 3.619 0 50 EHAA Cc1ccc2nc([C@@H](Nc3ncc(F)c(N(C)C)n3)C(C)C)[nH]c2c1 95358730 BLOYSPCKSFDFEB-HNNXBMFYSA-N 342.422 3.676 0 50 EHAA Cc1ccc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)nc1 184212081 YHWMHWZNYGMAEJ-SJLPKXTDSA-N 325.412 3.679 0 50 EHAA c1ccc(Nc2nc(-c3ccccc3)cc(N3CCOCC3)n2)cc1 144527409 VAHONKOMRSTKRT-UHFFFAOYSA-N 332.407 3.724 0 50 EHAA C[C@@H]1COCCN(c2ccnc3cc(OC(F)(F)F)ccc23)C1 899877800 WOXIIZOEGQTBAR-NSHDSACASA-N 326.318 3.606 0 50 EHAA Cc1noc(C)c1[C@H](C)CNC(=O)N(C)CC1(c2ccccc2)CC1 170602220 DEOMKYZOJSHDST-CQSZACIVSA-N 341.455 3.768 0 50 EHAA CCCCN(CCCC)C(=O)C1CCN([C@@H]2CCSC2)CC1 408520996 DXLWHJWYPYUOGB-QGZVFWFLSA-N 326.550 3.633 0 50 EHAA CCO[C@@H](C)c1ccc(-c2ccc3ncnc(NCCO)c3c2)cc1 1506425200 OEBZLOJAJZUCSA-AWEZNQCLSA-N 337.423 3.799 0 50 EHAA CN(Cc1ccccc1CN1CCCC1)C1CSCCSC1 1506396371 SGFFTJNBULXFJH-UHFFFAOYSA-N 336.570 3.563 0 50 EHAA CC(C)(C)OC(=O)N1CCc2c(cc(Cl)c(C(=O)O)c2Cl)C1 137764711 JXBQRXIJBFUZMR-UHFFFAOYSA-N 346.210 3.985 0 50 EHAA in-vitro CC(C)CC[C@@H](c1ccccc1)N(C)Cc1cnc(C(=O)O)cn1 1772706392 QDOBXUWENWQOPK-SFHVURJKSA-N 327.428 3.784 0 50 EHAA CC(C)N1C[C@H](CN(C)Cc2cccc(C(F)(F)F)c2)CCC1=O 1775983796 SQLBXMRFLPQQFR-HNNXBMFYSA-N 342.405 3.784 0 50 EHAA Cc1ccc(N2C(=O)C[C@H](NCc3cccc4ccccc34)C2=O)cc1 5112802 XFQSGMXUPVRKDU-FQEVSTJZSA-N 344.414 3.570 0 50 EHAA O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(CC2CCCCC2)C1 11934365 PQEPVQJRYDRCKI-QGZVFWFLSA-N 329.440 3.890 0 50 EHAA O=C(C1=CCCC1)N1CC[C@]2(CCCN(CCc3ccccc3)C2)C1 12583698 CMCWDPYGYNTSDN-QFIPXVFZSA-N 338.495 3.654 0 50 EHAA Cc1cc(C)n(C[C@H](C)NCc2cc(F)cc3c(C)c(C)[nH]c23)n1 15069669 WGCBFGZCFPKYLE-LBPRGKRZSA-N 328.435 3.915 0 50 EHAA CCN(CC)[C@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl 19799906 LMSFWQWRWIRPRA-ZDUSSCGKSA-N 337.678 3.763 0 50 EHAA Cc1cc(-c2ncc[nH]2)ccc1NC(=O)COCCc1ccccc1 1875349689 IZGCKNBGLYNEJZ-UHFFFAOYSA-N 335.407 3.583 0 50 EHAA CC(=O)c1cccc(CNc2nn3cc(-c4cccnc4)nc3s2)c1 1186881318 MASBHJCPNQSDNL-UHFFFAOYSA-N 349.419 3.668 0 50 EHAA c1ccc([C@H]2CCc3nnc(-c4ccc5c(c4)OCO5)n3CC2)cc1 2100539730 WBKRDWKZRRIDIY-HNNXBMFYSA-N 333.391 3.794 0 50 EHAA CCn1ncc2c1CC[C@H](NCc1cc(Cl)cc3cccnc13)C2 2325788474 ISYQGAGPFZTIAW-KRWDZBQOSA-N 340.858 3.752 0 50 EHAA C[C@]1(NCc2coc(-c3ccccc3C(F)(F)F)n2)CCC[C@@H]1O 2325798739 VALCAFSTQLOMSR-HOCLYGCPSA-N 340.345 3.754 0 50 EHAA Cc1cnc(N2CCC(Cc3cccnc3)CC2)nc1-c1cccnc1 2325802154 LUOPQOMHXOQFSS-UHFFFAOYSA-N 345.450 3.701 0 50 EHAA CCNC(=O)N1CCc2ccc(NCc3ccc4ncccc4c3)cc21 151732554 ITDURAWZDAFMHY-UHFFFAOYSA-N 346.434 3.939 0 50 EHAA CCc1ccccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O 83061 QGKCLPPCCQHBSF-MRXNPFEDSA-N 326.421 3.691 0 50 EHAA CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 134761 PGRKNQATCMRMRY-UHFFFAOYSA-N 340.404 3.599 0 50 EHAA O=C(CC(CC(=O)c1ccccc1)c1cccc[n+]1[O-])c1ccccc1 392529 LPBVYJYOHHQMQY-UHFFFAOYSA-N 345.398 3.950 0 50 EHAA CCCCOC(=O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 2995664 JFCQJJGGLPAWRN-UHFFFAOYSA-N 338.618 3.952 0 50 EHAA Cc1ccc(F)c(CN=c2[nH]oc(-c3ccccc3)c2C(=O)O)c1F 2356146680 PYWYZRNWLKWHOL-UHFFFAOYSA-N 344.317 3.660 0 50 EHAA O=C1N(C2CC2)CCC[C@@]12CCCN2Cc1ccc(Cl)c(F)c1 2356168592 KCTVNJSPNNXRKP-SFHVURJKSA-N 336.838 3.599 0 50 EHAA CC(C)Oc1cccc(CN2CCC[C@]23CCCN(C(C)C)C3=O)c1 2356169592 DKEJOROFCNDZGW-OAQYLSRUSA-N 344.499 3.839 0 50 EHAA Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)CC(C)C)cc1 4816446 DSEGMYMXXFHTDM-UHFFFAOYSA-N 349.438 3.947 0 50 EHAA CCOc1cc(Cl)c(CN2CCC[C@H]2Cn2cccn2)cc1OC 55225472 UBEDUJGWSIRHCB-HNNXBMFYSA-N 349.862 3.608 0 50 EHAA CC(=O)OCc1c(C)cc(C)c(CN(C)[C@@H](C)c2ccncn2)c1C 55327136 LQDXFBBRGXPAHR-INIZCTEOSA-N 341.455 3.658 0 50 EHAA Cc1nn(C)c(Cl)c1CN(C)Cc1cn[nH]c1-c1ccc(F)cc1 55361032 DHEGHAJUAPDQET-UHFFFAOYSA-N 347.825 3.543 0 50 EHAA CC[C@H](C)NC1CCN(c2ccc(N3C(=O)CC[C@@H]3C)cc2)CC1 55060984 HQIAKMYEODCDRY-HOTGVXAUSA-N 329.488 3.559 0 50 EHAA O=C(O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 22135490 UMJHXGNNNDYLQS-UHFFFAOYSA-N 344.417 3.725 0 50 EHAA Oc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCCNC2 67966074 AIPAWNGNGOIWDW-UHFFFAOYSA-N 344.720 3.608 0 50 EHAA CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1 13058910 QOYZAUSDTTTXRV-ZDUSSCGKSA-N 346.452 3.959 0 50 EHAA O=C(N[C@H]1CCCc2sccc21)N1CCO[C@H](c2ccco2)C1 136587859 CLMATFVEDSTRMN-ZFWWWQNUSA-N 332.425 3.502 0 50 EHAA c1ccc2c(c1)ncn2-c1ccc(N2CCC(NCC3CC3)CC2)cc1 63883002 DAICQRGWDQQJCU-UHFFFAOYSA-N 346.478 3.994 0 50 EHAA C[S@](=O)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1F 119162212 XQWRDJPGIPEWIR-OAQYLSRUSA-N 329.755 3.608 0 50 EHAA CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3cnn(C)c3)nc21 8782668 LMOJHODWZGDIOD-UHFFFAOYSA-N 337.349 3.959 0 50 EHAA Cc1nc(-c2ccccc2)c(C(=O)N(C)[C@H](C)c2ccon2)s1 65456203 FQPLFKOUDQQFRO-LLVKDONJSA-N 327.409 3.940 0 50 EHAA O=C([C@@H]1C[C@H]1c1ccco1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229538548 NYAGVBSUYWEBRL-BFYDXBDKSA-N 331.799 3.637 0 50 EHAA COc1ccc([C@H](C)NC2CCN(c3ccccn3)CC2)cc1F 121360149 FWQLGLGEIMBASE-AWEZNQCLSA-N 329.419 3.549 0 50 EHAA Cc1nn(C)c(C(=O)N[C@@H](C)c2cccc(-n3cccc3)c2)c1Cl 2785966 HJOZDMVNXYTBHV-LBPRGKRZSA-N 342.830 3.664 0 50 EHAA 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C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCn1ccnc1 12380663 ZPBYZRAGZJDBON-KRWDZBQOSA-N 349.434 3.524 0 50 EHAA CCN(C)C(=O)Cc1c2c(n(CC(C)C)c1C)CC(C)(C)CC2=O 12713558 PHFVOUOAOJMKBA-UHFFFAOYSA-N 332.488 3.628 0 50 EHAA Cc1cnnn1-c1ccc(NC(=O)c2cccc3ccccc23)cc1 13690747 OPCWNMWIBCREMZ-UHFFFAOYSA-N 328.375 3.981 0 50 EHAA c1coc(CNCc2ccc(OCc3ccc4c(c3)OCO4)cc2)c1 15083799 MJERVEHKUSDGJJ-UHFFFAOYSA-N 337.375 3.877 0 50 EHAA CCCCCC(=O)N[C@H](N1CCCCC1)C(Cl)(Cl)Cl 19228685 KHNUTTWZRWDCDH-GFCCVEGCSA-N 329.699 3.865 0 50 EHAA O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2o1 19376279 RUOGEMGNXBJZMR-UHFFFAOYSA-N 336.391 3.517 0 50 EHAA Fc1ccc(Br)c(Cl)c1I 169795548 RRXVVVHKJRXELS-UHFFFAOYSA-N 335.341 3.846 0 50 EHAA O=C(CCc1ccc(C(=O)O)cc1)NC1(c2cccc(Cl)c2)CC1 238064577 MSHNSAQWMUNJIZ-UHFFFAOYSA-N 343.810 3.776 0 50 EHAA CC(C)(C)n1nnc(CN[C@H]2CCC[C@H]2c2ccc(Cl)cc2)n1 653633859 BDXVVJJYTDCBLF-GJZGRUSLSA-N 333.867 3.507 0 50 EHAA O=C(c1ccc(OCCOc2cccc(F)c2)cc1)c1ccccn1 1875341830 JXMXBYIJZRFOQP-UHFFFAOYSA-N 337.350 3.910 0 50 EHAA O=C(Nc1cnn(-c2ncccc2Cl)c1)c1cc(Cl)ccc1O 2325748039 WLNINTVKXZQDOF-UHFFFAOYSA-N 349.177 3.532 0 50 EHAA c1ccc(-c2ccccc2CN2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 2325875422 RCSYCDGAZANTTP-RXVVDRJESA-N 337.463 3.981 0 50 EHAA CC(=O)Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 30074 YIMKUDKTBNXQMF-UHFFFAOYSA-N 336.435 3.740 0 50 EHAA Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 288381 QNFXKJAKLTZBHJ-UHFFFAOYSA-N 328.843 3.919 0 50 EHAA COc1ccc(OC[C@@H](O)Cn2c(C(C)C)nc3ccccc32)cc1 787278 DWOLAPLQFSKEGK-HNNXBMFYSA-N 340.423 3.608 0 50 EHAA NC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCCCC2 2749798 AODBVAASCJSNQF-UHFFFAOYSA-N 346.427 3.897 0 50 EHAA O[C@@]1(c2ccccc2)CCC[C@H]2CN(Cc3ccc4c[nH]nc4c3)C[C@H]21 2356151489 KTDNJVLOPPSJNG-CZTZKLFOSA-N 347.462 3.683 0 50 EHAA CCOC(=O)c1ncc(NC(=O)c2coc3ccc(CC)cc23)s1 342661419 JWUDGWVVVHFNAX-UHFFFAOYSA-N 344.392 3.881 0 50 EHAA CCCC1=NSC2=NCC(c3ccc(Br)cc3)=NN12 4531404 WYGODNXYKSGHKL-UHFFFAOYSA-N 337.246 3.685 0 50 EHAA aggregator COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccco1 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0 50 EHAA CCCN1CCN(C(=O)C[C@H]2CCCCC(O)=N2)c2ccc(F)cc21 329813420 STVGHMAFBIRXKU-OAHLLOKOSA-N 347.434 3.678 0 50 EHAA Cc1ccc(CC[C@H](C)NC(=O)N[C@@H]2CCOC3(CCCC3)C2)o1 253430891 SOUZPEQBTYYHAE-GOEBONIOSA-N 334.460 3.700 0 50 EHAA NC(=O)c1ccccc1NC(=O)c1ccccc1CCC(F)(F)F 253415790 QCLNDAUBOOKDGO-UHFFFAOYSA-N 336.313 3.533 0 50 EHAA C[C@@H]1CCN(C(=O)c2ccc3nc(O)n(C)c3c2)CC12CCCCC2 361248819 DGSBKOCBVWHAPE-CQSZACIVSA-N 341.455 3.711 0 50 EHAA CN(C)CCCOc1cccc2c(N)c(C(=O)c3ccccc3)oc12 39006311 LPOGLDFCOVWXRI-UHFFFAOYSA-N 338.407 3.577 0 50 EHAA CC[C@@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1ccncc1 72158601 HOCLDFBALFMBCA-MRXNPFEDSA-N 336.443 3.979 0 50 EHAA O=C(NCCN1CCC(c2ccccc2)CC1)[C@H]1CCc2ccccc21 216330943 FMDDJDJVHKHNJW-QFIPXVFZSA-N 348.490 3.712 0 50 EHAA COc1cc(CN2CCC(NC(=O)C3CCCCC3)CC2)ccc1C 242242289 XTODWYOCPRMONP-UHFFFAOYSA-N 344.499 3.665 0 50 EHAA C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(-c2ncon2)cc1 339199495 AOLUJAKNNPGYEY-GFCCVEGCSA-N 325.393 3.856 0 50 EHAA CC(=O)Nc1ccc(C(=O)N(C)Cc2cccc3ncccc23)cc1C 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EHAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3c[nH]nc3C3CCCCC3)[C@H]2C1 299763583 YCKIFMQSRAUIEP-CMKODMSKSA-N 347.503 3.616 0 50 EHAA CC(=O)Nc1ccc2nc(CN(C)CCC[C@@H]3CCCO3)ccc2c1 823709307 VXWVTKDZTFFFHV-LJQANCHMSA-N 341.455 3.584 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 185812083 CFBXTECGRFUCEG-DOTOQJQBSA-N 341.411 3.902 0 50 EHAA C[C@@H]1C[C@@H](CCNC(=O)Cc2cccc(C(F)(F)F)c2)CCO1 273613336 ULMJZFVGNSXPFI-OLZOCXBDSA-N 329.362 3.569 0 50 EHAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@@H](C)Cc1ccc(Cl)cc1 275600204 QHSLZVUEOVSVJW-JQFCIGGWSA-N 333.863 3.607 0 50 EHAA COc1ccc2c(c1)[C@@H](C(=O)NCCc1cccc3cccnc13)CC2 277151220 AOSGGVPLLAPXFI-IBGZPJMESA-N 346.430 3.632 0 50 EHAA Cc1c(C(=O)N2CCC[C@@](O)(C(F)(F)F)C2)oc2c(C)cccc12 408305574 LCTSJFOTXKYVDN-INIZCTEOSA-N 341.329 3.579 0 50 EHAA COC[C@@H]1CCCN(C(=O)c2oc(-c3ccccc3)nc2C)CC1 408520792 XFIPYUVBTPZXRM-OAHLLOKOSA-N 328.412 3.539 0 50 EHAA Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 189338979 RMBVVCFCJLEBHC-IRXDYDNUSA-N 325.456 3.983 0 50 EHAA O=C(c1ccncc1)N1CCC[C@H](CCc2c(F)cccc2F)C1 12075416 FSRIMNKPPYPZPC-CQSZACIVSA-N 330.378 3.845 0 50 EHAA C[C@@H]1CCc2sc(C(=O)Nc3nnc(C(F)(F)F)s3)cc2C1 13746654 VWRFNLHXVKSSNH-ZCFIWIBFSA-N 347.387 3.996 0 50 EHAA CCCCn1nc(Cc2ccccc2OC)nc1[C@@H]1C[C@@H]2CC[C@H]1O2 1857711630 BANDNFWSEUNORN-LZLYRXPVSA-N 341.455 3.713 0 50 EHAA Cc1csc(Oc2ccc(NC(=O)C[C@H]3CCCO3)cc2F)n1 408515206 FWDFXGKENUBCAK-GFCCVEGCSA-N 336.388 3.891 0 50 EHAA Cn1ccnc1[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)C1 333370655 WDEIIFODHTVZPB-IKGGRYGDSA-N 346.519 3.914 0 50 EHAA CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CCCO1 252484703 GFCHXFQNZBCPBA-LLVKDONJSA-N 333.762 3.583 0 50 EHAA O=C(N[C@H](c1ccccc1)C1CCC1)N1CCC(c2c[nH]cn2)CC1 253431090 GIYQIZXFARGEGW-LJQANCHMSA-N 338.455 3.840 0 50 EHAA CC(C)(C)OC(=O)N[C@](C)(C(=O)O)c1cc(Cl)cc(Cl)c1 395313837 XRUHHIRUUARMLC-AWEZNQCLSA-N 334.199 3.818 0 50 EHAA CC1=CC2(CCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)OCC1 1704316510 SIGJCJYMSBGKNQ-UHFFFAOYSA-N 329.469 3.839 0 50 EHAA C1=CCC2(C1)CN(Cc1nnc(N3CCCC3)o1)[C@H]2c1ccccc1 1875281824 ZHRQOGQJVMSACC-SFHVURJKSA-N 336.439 3.563 0 50 EHAA Cc1ccccc1NCCc1nc(-c2cccc([C@@H](O)CF)c2)no1 1775999664 TYDOMAXSTAGKRA-KRWDZBQOSA-N 341.386 3.703 0 50 EHAA Cn1cnc2c1CCC[C@H]2C(=O)Nc1ncc(C2CCCCC2)s1 2325779889 NJNPJGSCXXWPCO-CYBMUJFWSA-N 344.484 3.983 0 50 EHAA COc1ccc(CCC(=O)N2CCCC[C@@H]2C2CCOCC2)cc1F 2325810700 YNARTIDQRCNMLG-GOSISDBHSA-N 349.446 3.575 0 50 EHAA CCOC(=O)c1cnc(-c2ccccc2)nc1NCc1ccccc1 35377 CNDOADIUFVAYBP-UHFFFAOYSA-N 333.391 3.932 0 50 EHAA CCOc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1 98757 HYWPOGUSCHXXKY-UHFFFAOYSA-N 335.407 3.532 0 50 EHAA Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)c1C 302583 FMZHHVUOWRQLEH-SFHVURJKSA-N 338.407 3.905 0 50 EHAA Cc1ccc(C(=O)OCC(=O)c2ccccc2)cc1Br 453348 TYZPSIDFVJFTII-UHFFFAOYSA-N 333.181 3.797 0 50 EHAA COc1ccc(OC)c([C@@H](C)NC(=O)Nc2ccc(F)cc2F)c1 609679 MYEZZBXQPZHWDS-SNVBAGLBSA-N 336.338 3.865 0 50 EHAA CSc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 613206 BQQKQEXNSYNVAW-ZDUSSCGKSA-N 327.405 3.654 0 50 EHAA O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cccc(F)c1 1071885 BCKGFDHTJLTHDR-UHFFFAOYSA-N 343.383 3.530 0 50 EHAA COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3C)C2)cc1OC 1077245 CRMDNWUHUQEGGQ-GOSISDBHSA-N 338.407 3.710 0 50 EHAA CCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1 4011376 NBKGIFDPUOYUGZ-HNNXBMFYSA-N 336.819 3.701 0 50 EHAA Cc1cccc(C(C)C)c1NC(=O)c1ccccc1NS(C)(=O)=O 4757092 YKGVDXIFJSJDRJ-UHFFFAOYSA-N 346.452 3.742 0 50 EHAA CCOC(=O)C1CCN(CCCCOc2ccc(CC)cc2)CC1 6704016 GQWGKORKMYOREM-UHFFFAOYSA-N 333.472 3.683 0 50 EHAA C[C@@H]1CCN(C(=O)C2CCNCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 225562153 IGVONATZDIEUSU-WBMJQRKESA-N 340.389 3.615 0 50 EHAA COCc1cc(NCc2cnc(Cl)s2)nc(C(C)(C)C)n1 225812582 CVEYYDKYMQIXDI-UHFFFAOYSA-N 326.853 3.643 0 50 EHAA CCCC1(c2noc(CCc3nc(-c4ccncc4)no3)n2)CCC1 420519451 ZTCZVMKYWCDVAE-UHFFFAOYSA-N 339.399 3.522 0 50 EHAA CC(=O)c1c(F)cccc1N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C 229813771 LDURFSSIFHAFNK-KBXCAEBGSA-N 341.430 3.746 0 50 EHAA C[C@H]1CCC[C@@H](C)N(C(=O)c2cccc(OCC(F)(F)F)n2)C1 150775768 COFFFBNQOBFBAA-NWDGAFQWSA-N 330.350 3.673 0 50 EHAA CCCC(=O)c1c[nH]c(C(=O)NCc2cccc(C(F)(F)F)c2)c1 5524565 PPWBFFQZSOTZNG-UHFFFAOYSA-N 338.329 3.946 0 50 EHAA Cc1ccc(CN(Cc2scnc2C)C[C@@H]2CCNC2)cc1F 328645666 SGIQDPZOUKHBJY-MRXNPFEDSA-N 333.476 3.511 0 50 EHAA COc1ccccc1-c1nnc(CN2CCCOc3ccccc32)o1 253393753 NYUHERXEDVOPLZ-UHFFFAOYSA-N 337.379 3.534 0 50 EHAA O=C([C@H]1CC=CCC1)N1CCC(N2CCc3cc(F)ccc32)CC1 253393319 STLFHYYRRYHYRM-HNNXBMFYSA-N 328.431 3.536 0 50 EHAA Cc1ncsc1CCN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 253417416 DOVGSLIDZZVPFS-NSHDSACASA-N 344.406 3.616 0 50 EHAA Cc1ccc(Cl)c(N(Cc2cccnc2)C(=O)[C@@H]2CCCO2)c1 253432278 YCOJQDVJNNNNNI-KRWDZBQOSA-N 330.815 3.756 0 50 EHAA C[C@H](c1cccnc1)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 72432284 ZQSXHALRDCILIU-OAHLLOKOSA-N 326.440 3.618 0 50 EHAA CN1Cc2cc(-c3csc(C4CCOCC4)n3)ccc2NC1=O 376399180 YWGXXVYTWRRMJM-UHFFFAOYSA-N 329.425 3.681 0 50 EHAA CCc1nc(Cn2ccnc2-c2nc(-c3ccccc3)cs2)no1 71736375 PJDPQDSQDZOWRD-UHFFFAOYSA-N 337.408 3.667 0 50 EHAA Cc1nc(C)c(Cn2ccnc2-c2cc(CN(C)C)cs2)s1 77517970 BBGLQWBZQWLKQO-UHFFFAOYSA-N 332.498 3.795 0 50 EHAA C[C@H]1CN(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)CCCO1 179518114 NEWWCDOKAQBQLJ-SMDDNHRTSA-N 348.340 3.640 0 50 EHAA COCc1ccc(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)s1 97636644 BYFNVAXCSKFANB-IAGOWNOFSA-N 345.464 3.762 0 50 EHAA COc1cc(NC(=O)OC(C)(C)C)cc(OC)c1Br 143345813 BBTLGAJOVUTDPY-UHFFFAOYSA-N 332.194 3.813 0 50 EHAA CCc1ccccc1OC1CN(c2nc3c(C)cccc3cc2CO)C1 96150679 POSAYKLYORXXHG-UHFFFAOYSA-N 348.446 3.866 0 50 EHAA CCc1ncc(C(=O)N(C)Cc2ccc(-c3ccccc3)cc2)cn1 95358734 PPMMCZMVNBDSLV-UHFFFAOYSA-N 331.419 3.978 0 50 EHAA CSc1ccc(CN(Cc2noc([C@@H]3CCCO3)n2)C2CC2)cc1 244690905 IZEGJEMSLUWCNM-INIZCTEOSA-N 345.468 3.808 0 50 EHAA CO[C@H]1C[C@@H]2OC[C@@]23C(=CC[C@H]2[C@H]3CC[C@@]3(C)[C@H](O)CC[C@H]23)C1(C)C 253589866 NXOIYSNONWVRLS-NYANHTJCSA-N 346.511 3.950 0 50 EHAA COc1cccc(-c2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c1 252484863 GJRPINDGRXEHHN-GOSISDBHSA-N 326.396 3.663 0 50 EHAA COc1cc(C(=O)N[C@H](c2cccnc2)C(C)C)c2ccccc2n1 534648505 LCSOVTZZMUARHD-IBGZPJMESA-N 335.407 3.766 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)CCc2cccc(OC)c2)c(C)c1 822534964 DDCDWTISUFMXSS-UHFFFAOYSA-N 340.423 3.923 0 50 EHAA Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)c2cccnc2)c1 825162182 HJEAGBAYYQHBAR-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA Cc1cc(COCC(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)no1 1335874801 LUEIPDUFLLWMKY-QGZVFWFLSA-N 348.830 3.907 0 50 EHAA C/C(=C\c1ccccc1)CNCC1(N2CCCCC2)CCOCC1 221754782 JRCKDJRLTSCLAM-KNTRCKAVSA-N 328.500 3.715 0 50 EHAA C[C@@]1(O)CCCN(C(=O)Nc2cccc(CCC(F)(F)F)c2)CC1 279308613 DXOKAFGLSGRYGF-MRXNPFEDSA-N 344.377 3.950 0 50 EHAA O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1ccc(F)cc1 1010976 ZZAYRFTZKPVTAI-DHDCSXOGSA-N 329.352 3.768 0 50 EHAA COc1ccc(/C=C/C(=O)NCCCCc2ccccc2)cc1OC 2114678 VLAKUFCOFMXMAG-WYMLVPIESA-N 339.435 3.856 0 50 EHAA CCn1ccnc1CN1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 12314274 ITSDFZMVAJLIHR-OAHLLOKOSA-N 331.847 3.651 0 50 EHAA CC(=O)CCC(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 12474435 LFDSKAYGZDCCAL-LJQANCHMSA-N 337.419 3.630 0 50 EHAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)c1ccoc1 12704776 APDUQNUXABWATK-CQSZACIVSA-N 342.443 3.640 0 50 EHAA CN(Cc1ccoc1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 14975697 PTNZZLKXCLVTRS-SFHVURJKSA-N 330.447 3.805 0 50 EHAA CC(C)CCN1CC[C@]2(CCCN(CCc3ccccc3)C2=O)C1 19744494 LYLWYSHPZSHOHR-OAQYLSRUSA-N 328.500 3.590 0 50 EHAA O=C(Nc1ccccc1)c1cc2ccccc2cc1OP(=O)(O)O 2168228 KVIYXIWBXOQZDN-UHFFFAOYSA-N 343.275 3.564 0 50 EHAA in-vitro CC(C)N(C)c1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cn1 252483292 DYORCRRVQVJTGW-HNNXBMFYSA-N 341.455 3.548 0 50 EHAA CCC[C@@H](NC(=O)c1cccc(-c2ccccc2OCC)c1)C(=O)O 262916206 IDAUAPJDQRLIFE-QGZVFWFLSA-N 341.407 3.735 0 50 EHAA O=C(O)[C@@H]1CC[C@H]1C(=O)N(CC1CC1)c1cccc(C(F)(F)F)c1 902269218 PBUYQFXHAVLVJY-ZIAGYGMSSA-N 341.329 3.559 0 50 EHAA CCCc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCO3)cc(O)n1 826770884 DUMHEMPRELODIG-ZDUSSCGKSA-N 340.423 3.556 0 50 EHAA Cc1ccc(C(C)(C)CC(=O)N2CCC([C@@H]3CCNC3)CC2)cc1 952846238 RHTKHONPMCHQGC-GOSISDBHSA-N 328.500 3.511 0 50 EHAA O=C(NC[C@@H]1CCC[C@@H](F)C1)N1C[C@@H]2[C@@H](C[C@H]2c2ccccc2)C1 1875268549 LYVGBGCDFASQIM-LZBKUMLDSA-N 330.447 3.960 0 50 EHAA CN(C)C/C=C/C(=O)N[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 1875375504 FSCKVFZRYSEFOE-YOSLTCIPSA-N 340.389 3.576 0 50 EHAA Cn1ccnc1-c1cccc(NC2CCN(Cc3ccco3)CC2)c1 2325779196 NXTCQSHJQSPRQO-UHFFFAOYSA-N 336.439 3.757 0 50 EHAA CC(C)[C@H](NC(=O)c1nnc2c(F)cccc2c1O)c1ccccc1 2325842347 VLTIDRKIZFZRMN-HNNXBMFYSA-N 339.370 3.602 0 50 EHAA Cc1cncc(-c2nc(COC(=O)[C@H]3C[C@@H](C)CC(C)(C)C3)no2)c1 2325854585 LLIPPRBLOWXKPW-OCCSQVGLSA-N 343.427 3.946 0 50 EHAA Cc1ccnc(C2CCN(Cc3c(Cl)cccc3C(=O)O)CC2)n1 903963419 ZPLMAXKJGWFHFQ-UHFFFAOYSA-N 345.830 3.516 0 50 EHAA Cc1occc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 1056224 RGXVJYMTCBEWOF-UHFFFAOYSA-N 334.375 3.770 0 50 EHAA Cc1cccc(-c2noc(CN(C)C(=O)CCc3ccccc3)n2)c1 6697040 PXRQKXZLAOFDEF-UHFFFAOYSA-N 335.407 3.636 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)n1ncc2cc(Cl)ccc21 6768844 OUTAMKVHPNWGSW-UHFFFAOYSA-N 343.770 3.947 0 50 EHAA COc1cc(-c2noc([C@H]3CC(C)(C)Oc4ccccc43)n2)ccn1 417278635 HMDDGBVVPPQJGZ-AWEZNQCLSA-N 337.379 3.833 0 50 EHAA CC[C@@H](C)c1ccccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 59759752 SKQUAIPMYUYUGA-CQSZACIVSA-N 331.460 3.532 0 50 EHAA C[C@H]1CN(CCOc2ccc(Br)cc2Cl)C[C@H](C)O1 20166940 BONSDELIHFKTAA-QWRGUYRKSA-N 348.668 3.591 0 50 EHAA OCCn1ccc(-c2cccc(-c3ccc(C(F)(F)F)cn3)c2)n1 23214031 ZQAUZOVILNABSA-UHFFFAOYSA-N 333.313 3.623 0 50 EHAA Cc1ccc(OCC(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc1 10155813 DATDMZFTWBHVFP-KRWDZBQOSA-N 341.407 3.570 0 50 EHAA Cc1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 10315356 WZOASIYSJYUUGL-UHFFFAOYSA-N 342.870 3.930 0 50 EHAA Cc1ccsc1-c1c(-c2ccccc2)ncn1CCOCCO 65393507 FTXIEDMJENUOID-UHFFFAOYSA-N 328.437 3.596 0 50 EHAA O=C(c1csc(-c2ccco2)n1)N(CC1CC1)c1cccnc1 135545665 QUJNHFLWZWYGGL-UHFFFAOYSA-N 325.393 3.855 0 50 EHAA COCCOc1cc(C(=O)N2C[C@@H](C(C)C)c3ccccc32)ccn1 347592913 RZPVQSBFUBWSMF-KRWDZBQOSA-N 340.423 3.507 0 50 EHAA Cc1cccc(C)c1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl 21806938 DLTSLDUDIVZOPT-UHFFFAOYSA-N 331.725 3.961 0 50 EHAA Cc1ccnc(Oc2ccc(NC(=O)N3[C@@H](C)CC[C@@H]3C)cc2)n1 136182428 SHQUYQRAZSEMRZ-KBPBESRZSA-N 326.400 3.982 0 50 EHAA c1ccc(CCN2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 65406351 CPROQOGLMXKKSQ-SFHVURJKSA-N 334.423 3.554 0 50 EHAA C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1 172296039 GBLJLXSGVZCWFG-AWEZNQCLSA-N 339.439 3.507 0 50 EHAA CCOc1ccc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 4580644 WTNWNSGVEAYLRY-UHFFFAOYSA-N 349.496 3.580 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)N3CC(c4ccccn4)C3)c2c1 77354640 RPQAWMICPKWOTL-UHFFFAOYSA-N 331.419 3.795 0 50 EHAA Cc1nc2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2n1CCO 253404705 DJLNZMKXBCVLCH-UHFFFAOYSA-N 337.423 3.713 0 50 EHAA Cc1c[nH]c(CN2CCCC[C@H]2CCc2cccc(O)c2)c(C)c1=O 72163553 DUOYQZHVNLTKSB-SFHVURJKSA-N 340.467 3.685 0 50 EHAA Cc1cccn2cc(CN3CCC[C@H](Nc4ccc(F)cc4)C3)nc12 72174205 GWEIHXUIQFTLCV-SFHVURJKSA-N 338.430 3.858 0 50 EHAA CC(C)CCn1ncc(NC(=O)NCc2ccn(C)c2)c1C(C)C 487605925 JIOGWUKKRYQSNM-UHFFFAOYSA-N 331.464 3.713 0 50 EHAA C[C@H](c1cncs1)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 72408303 WVNMBMNWPRJTAM-CYBMUJFWSA-N 332.469 3.680 0 50 EHAA CC1(CNC(=O)c2c[nH]nc2-c2ccsc2)Cc2ccccc2C1 444283955 DKBFXWOMHRVXKC-UHFFFAOYSA-N 337.448 3.673 0 50 EHAA CC1(C)CN(C(=O)CCc2cccc(OC3CCCC3)c2)CC[C@@H]1N 261673181 CAHOKXSIXGFLOE-IBGZPJMESA-N 344.499 3.526 0 50 EHAA CC1(C)CCc2sc(NC(=O)N3CC(C)(C)[C@H]3[C@H]3CCCO3)nc21 333618895 ZDINUWKIHZFDCC-BXUZGUMPSA-N 349.500 3.788 0 50 EHAA Cc1nc(N(C)Cc2cc(-c3ccccc3)no2)c2c(C)noc2n1 77439460 ZBGXBCPYIWIMLF-UHFFFAOYSA-N 335.367 3.526 0 50 EHAA CCOC(=O)c1coc(N(C)Cc2csc(-c3cccs3)n2)n1 77455504 BKWSJJUPRBJDRG-UHFFFAOYSA-N 349.437 3.673 0 50 EHAA CCc1nc(N2CC[C@]3(CCCN(CCC4CCCCC4)C3)C2)no1 426399358 FZPFFUOWWLYCLN-FQEVSTJZSA-N 346.519 3.895 0 50 EHAA Cn1cccc1[C@@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)nc1 179363546 HJHOUWKHKSEKLA-ZDUSSCGKSA-N 338.333 3.808 0 50 EHAA OCCCN(Cc1cccnc1)Cc1ccc2cccc(Cl)c2n1 243901252 BALTVMRNDCJNAI-UHFFFAOYSA-N 341.842 3.668 0 50 EHAA CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2O)CCCO1 295092504 GCICNKDLWKFMTR-QGZVFWFLSA-N 327.424 3.506 0 50 EHAA CC(C)(CCC(=O)N[C@@H]1COc2ccccc2C1=O)c1ccccc1 181590881 FRLJPVWILGFHSZ-QGZVFWFLSA-N 337.419 3.505 0 50 EHAA O=C(CCc1ccc(O)cc1)N1CC[C@H](Cc2ccc(F)cc2)C1 183914134 FIGRXHSQHQVOIG-QGZVFWFLSA-N 327.399 3.555 0 50 EHAA COCC1(C(=O)N2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)CCC1 299790159 BLFLAGSQJOYJCL-HNNXBMFYSA-N 349.858 3.578 0 50 EHAA COc1ccc([C@@H](C)NC(=O)NC2CCC(F)(F)CC2)c(OC)c1 1343390648 XNQHJRPPYYUIRM-LLVKDONJSA-N 342.386 3.642 0 50 EHAA CC[C@H]1CN(C(=O)c2nn(-c3ccccc3)cc2C)c2ccccc2O1 186107612 GIRFZRZXRXLOLF-KRWDZBQOSA-N 347.418 3.999 0 50 EHAA CCc1oc2ccccc2c1CNC[C@H]1CC[C@@H](c2nc(C)no2)O1 275336170 RBCJZHCCAVACGT-ACJLOTCBSA-N 341.411 3.697 0 50 EHAA Cc1ccc(F)c(NC(=O)c2c(C)nn([C@@H]3CCCCO3)c2C)c1 408522475 JTLUNHYXDVNXJN-INIZCTEOSA-N 331.391 3.899 0 50 EHAA Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)c(Cl)c1 409422230 CWCVWYQXUQWCRI-CHWSQXEVSA-N 339.819 3.684 0 50 EHAA COCCC(=O)N1CCC(N[C@H](C)c2cc3ccccc3s2)CC1 188244608 XBRRQDBSBNEWHC-CQSZACIVSA-N 346.496 3.579 0 50 EHAA Cc1cccc(OC[C@H](C)NC(=O)c2cccnc2C(F)(F)F)c1 188360067 LYSFQGBWLSLPFA-LBPRGKRZSA-N 338.329 3.606 0 50 EHAA C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)CCO1 189354938 BKKPZZXOJCJXTF-LBPRGKRZSA-N 338.835 3.772 0 50 EHAA CCOc1cc(CN(Cc2ccnn2C)C2CCCC2)ccc1OC 1506408824 XSDHFCBVQHSHMZ-UHFFFAOYSA-N 343.471 3.772 0 50 EHAA CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1Cc1nc(C(=O)O)co1 1529133148 DVWVTLPMELNZII-SFHVURJKSA-N 339.395 3.610 0 50 EHAA CCOc1ccccc1C(=O)Nc1cccc(C(=O)N(CC)CC)c1 12138508 XZOALEYRHUKXAD-UHFFFAOYSA-N 340.423 3.820 0 50 EHAA Cc1ccccc1[C@H](CC(=O)N(C)Cc1cnn(C)c1)c1ccccc1 12442548 XRFUUCZDEYSMQM-OAQYLSRUSA-N 347.462 3.909 0 50 EHAA Cc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 16580634 OIGPBACWBKPSEV-UHFFFAOYSA-N 328.843 3.606 0 50 EHAA CC(C)(O)CCn1ccnc1-c1ccc(OCc2ccccn2)cc1 1857672881 JAIZAOPEQAQYNZ-UHFFFAOYSA-N 337.423 3.685 0 50 EHAA Cc1ocnc1C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 457356954 IGAYXSAJYJTPIB-AWEZNQCLSA-N 344.802 3.880 0 50 EHAA Cc1nc(CC(C)C)oc1C(=O)N[C@H]1COc2c(Cl)cccc21 252494974 OJIVSXBQTGHNHS-ZDUSSCGKSA-N 334.803 3.698 0 50 EHAA Cc1ccc(C)c(C2CCN(c3ncccc3C(=O)N(C)C)CC2)c1 1875272123 KFDQMNKNYQYBSL-UHFFFAOYSA-N 337.467 3.784 0 50 EHAA Cc1cc(=N[C@H](C)c2cccc(-n3ccnc3)c2)[nH]c(C2CCC2)n1 1875321886 ZXJKPSGVYLALPW-OAHLLOKOSA-N 333.439 3.833 0 50 EHAA c1ccc2c(c1)CCN(Cc1ccc(OC[C@@H]3CCCNC3)cc1)C2 299787712 ZWQZQEDNLUOBCG-LJQANCHMSA-N 336.479 3.623 0 50 EHAA O=C(N[C@@H](CO)c1cccc(Cl)c1)c1cc2ccc(Cl)cc2[nH]1 2325721418 FAZVZQHAQOKQSD-INIZCTEOSA-N 349.217 3.938 0 50 EHAA CC(C)(C)n1ccnc1NCc1cnn(Cc2ccc(F)cc2)c1 2325771085 LOYZXUUEMMZVGH-UHFFFAOYSA-N 327.407 3.634 0 50 EHAA CC[C@H]1CCC[C@@]1(C)C(=O)N1CCc2cc(CCC(=O)O)ccc2C1 2325775224 LRQVKRPTDJGEEK-GHTZIAJQSA-N 343.467 3.805 0 50 EHAA O=C(O)[C@]12CCC[C@@]1(F)CN(Cc1c(Cl)ccc3cccnc13)C2 2325788824 JIKLGUKLOGZLCO-QZTJIDSGSA-N 348.805 3.667 0 50 EHAA Cc1[nH]c2ccc(CN[C@@H](C)c3ccc(-n4cncn4)nc3)cc2c1C 2325800575 UVQVIKNCRHMXHX-HNNXBMFYSA-N 346.438 3.611 0 50 EHAA CC[C@H](NC(=O)c1ccc2nc(Cl)ccc2c1)c1ncc(C)[nH]1 2325855920 VAVJCFJEUMZZQW-ZDUSSCGKSA-N 328.803 3.801 0 50 EHAA CCc1cc(F)cc(C(=O)N2CC[C@@H]3C[C@@H](CC(=O)O)CC[C@H]3C2)c1 2325879904 LTHOBTDCEDNDTR-XHSDSOJGSA-N 347.430 3.741 0 50 EHAA Cc1cc(Cl)ccc1OCC(=O)Nc1c(C)ccc2nsnc12 97738 GQUXYPJSLQYUHZ-UHFFFAOYSA-N 347.827 3.979 0 50 EHAA COc1cc(NC(=O)Cc2ccccc2OC)c(OC)cc1Cl 121832 CTARPDYXBMIDKI-UHFFFAOYSA-N 335.787 3.547 0 50 EHAA O=C(CCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 183045 ZPSIXDJDBYYUEV-UHFFFAOYSA-N 328.843 3.621 0 50 EHAA O=C(Nc1ccccc1Cl)OCn1c(=O)sc2ccccc21 404979 UEJPZTKRCYBKJO-UHFFFAOYSA-N 334.784 3.923 0 50 EHAA CCc1c(C)sc(NC(=O)c2ccc(OC)cc2)c1C(=O)OC 473979 LTMBDBJUOXJDAH-UHFFFAOYSA-N 333.409 3.666 0 50 EHAA COc1cc(OC)cc(C(=O)NCc2ccc(Cl)cc2Cl)c1 617046 PFQPLZCLPBJFKU-UHFFFAOYSA-N 340.206 3.941 0 50 EHAA CCCCOC(=O)c1cccc(NC(=O)c2ccccc2OC)c1 1801406 IQWRVWRQJMNLDI-UHFFFAOYSA-N 327.380 3.904 0 50 EHAA biogenic CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccccc1C(F)(F)F 2585857 DYZRXQICSTZZKP-LLVKDONJSA-N 333.306 3.746 0 50 EHAA COc1cc([C@@H](C)Nc2nc(C)c(C)c(C)n2)cc(OC)c1OC 2356138995 UWANEUUREGOLGW-CYBMUJFWSA-N 331.416 3.601 0 50 EHAA COc1cc(C)ccc1OCCOCCN(C)Cc1ccccc1 2823041 ZIDVFGTVNOAXTE-UHFFFAOYSA-N 329.440 3.531 0 50 EHAA COc1cc2c(c(OC)c1OC)[C@H](c1cccc(Cl)c1)CC(=O)N2 2884516 ICSWEWUBOYYEMI-LBPRGKRZSA-N 347.798 3.840 0 50 EHAA CCc1nc2ccccc2c(NC(=O)CN2CCC(C)CC2)c1C 6711298 VZDWFCYNGDKFKC-UHFFFAOYSA-N 325.456 3.776 0 50 EHAA biogenic Cc1cc(CCC(=O)NC[C@H]2CCSC2)ccc1Br 225731148 MUBZGRUJIVQEDG-CYBMUJFWSA-N 342.302 3.559 0 50 EHAA CC(C)=C1[C@H]2C=C[C@H]1[C@H](C(=O)Nc1cccc(C)c1C)[C@H]2C(=O)O 100502446 RHVMIVDKAZJMAT-KNCCTNLNSA-N 325.408 3.711 0 50 EHAA CCCn1cnnc1CNCc1ccc(O[C@H](C)CC)c(Cl)c1 55211231 WFVXABRVFTYXCL-CYBMUJFWSA-N 336.867 3.809 0 50 EHAA Cc1cc(C)cc(-c2c(-c3ccccc3)ncn2[C@@H](C)c2nnn[nH]2)c1 67804569 ZJZAUMQPXASCBK-HNNXBMFYSA-N 344.422 3.956 0 50 EHAA COc1ccccc1-c1ccc([C@H](C)NC(=O)Cc2cnn(C)c2)cc1 356941220 VEWMREASCRDRNO-HNNXBMFYSA-N 349.434 3.516 0 50 EHAA COCCCN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67804846 DHHACLVYTYBTIU-UHFFFAOYSA-N 347.842 3.944 0 50 EHAA Cc1cc(O)c(C(C)C)cc1NC(=O)c1cn(C2CC2)c(C)cc1=O 252496437 PICXMAAFCMCUHO-UHFFFAOYSA-N 340.423 3.881 0 50 EHAA CC1(C)[C@@H]2C[C@@H]1CC(=O)[C@]2(C)OC(=O)c1ccnc(OC2CCC2)c1 252496295 PGEJTDVEYMQMFV-IAMHBRQHSA-N 343.423 3.564 0 50 EHAA CCc1nnc(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)o1 66851124 CSINPEVPOZMDAB-ZDUSSCGKSA-N 342.226 3.512 0 50 EHAA CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 1597269 RAPBNVDSDCTNRC-UHFFFAOYSA-N 325.191 3.792 0 50 EHAA biogenic,in-vitro O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc2nc(S)oc2c1 124184091 JNZRYOMTSLRNNU-CYBMUJFWSA-N 346.452 3.728 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1 72476437 OZUHINPOKPKSHY-UHFFFAOYSA-N 343.389 3.805 0 50 EHAA CC(C)(C)C(=O)Nc1cc(Br)cnc1Br 35270424 YAZQPRDSHZOORW-UHFFFAOYSA-N 336.027 3.591 0 50 EHAA CCc1ccc([C@@H]2CCCN2C(=O)N=c2nc(C(C)(C)C)[nH]s2)o1 331694543 YSIQTMRMWSFODN-LBPRGKRZSA-N 348.472 3.782 0 50 EHAA O=C(c1ccc(F)cc1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 261781544 TYLFICYPGVYCHE-KRWDZBQOSA-N 344.455 3.672 0 50 EHAA N=C(O)[C@@H]1CC[C@H](NC(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)C1 334126769 PZCZWUGTXXJLMO-IXDOHACOSA-N 341.455 3.670 0 50 EHAA C[C@H]1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)c2cccnc2O1 158555121 VDSRWIMNUBMIOT-VIFPVBQESA-N 340.276 3.667 0 50 EHAA Cc1ccccc1C[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O 221032928 VEISDHRYJDNLDB-CVEARBPZSA-N 333.428 3.638 0 50 EHAA CC(=O)N(C)c1cccc(NC(=O)c2cccc(OC(C)C)c2)c1 44821942 GLIOQPDTTXSSAK-UHFFFAOYSA-N 326.396 3.709 0 50 EHAA O=C(NCCN1CCCC1)Nc1ccc(SC(F)(F)F)cc1 95512959 WRTQJKYSWIIFGT-UHFFFAOYSA-N 333.379 3.516 0 50 EHAA O=C(Nc1ccc(Cl)cc1F)N1CCCC[C@@H]1CN1CCCC1 96148380 OMDKJCJNAZTDII-CQSZACIVSA-N 339.842 3.961 0 50 EHAA c1ccc([C@@H]2CN(Cc3cc(CN4CCCC4)cs3)CCO2)cc1 97775485 RJYOPNWYXOGEJW-FQEVSTJZSA-N 342.508 3.917 0 50 EHAA O=C1NCCC[C@]12CCN(Cc1ccc(SC3CCCCC3)o1)C2 91755215 URMSIBBMUKQMCD-LJQANCHMSA-N 348.512 3.807 0 50 EHAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc2ncsc2c1 95525917 FPIGGCTVWKATLC-UHFFFAOYSA-N 343.456 3.981 0 50 EHAA COc1cccc([C@@H]2CCN2C(=O)c2ccc3cccc(F)c3n2)c1 91657234 NZOYAHQSLPAZIO-SFHVURJKSA-N 336.366 3.970 0 50 EHAA COc1ccc(-n2ccnc2CN(C)Cc2cc(C(C)C)on2)cc1 97785289 QGJFLKWHELQBQS-UHFFFAOYSA-N 340.427 3.624 0 50 EHAA COc1ncc(-c2ccc([C@@H](C)N3CCCCC3)cc2)c(OC)n1 96161798 FOGHGDKDJQFJJI-CQSZACIVSA-N 327.428 3.708 0 50 EHAA CC[C@H](C)COC(c1ccccc1)(c1ccccc1)[C@H](O)C(=O)OC 334163552 WSGUVTRWNPKRPW-QFBILLFUSA-N 342.435 3.527 0 50 EHAA CC(C)c1nc(C2(NC[C@H](O)CCc3ccccc3)CCCC2)no1 182423122 QQWXEJPKDLFAFV-QGZVFWFLSA-N 343.471 3.546 0 50 EHAA Cc1ccccc1NC(=O)c1nc(C)n(-c2cccc(Cl)c2)n1 252508964 XZOLVWJTSLNXOS-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA Cc1noc([C@H]2CCCN(C(=O)c3cc4ccccc4s3)C2)n1 299077293 ISLUFMBBSBMUPG-ZDUSSCGKSA-N 327.409 3.613 0 50 EHAA O=C(C[C@@H](c1cccc2ccccc12)n1cccc1)Nc1ncc[nH]1 263588710 XMPSWATXVBVEHZ-SFHVURJKSA-N 330.391 3.983 0 50 EHAA O=C(c1ccc(CN2CCCC2)o1)N1CCc2c(Cl)cccc2C1 299791201 CRXJFQCGSSKFRE-UHFFFAOYSA-N 344.842 3.727 0 50 EHAA CC(C)(C)OC(=O)N1CCOc2ccc(Br)c(F)c21 74937907 JDMDEABOJMKGDQ-UHFFFAOYSA-N 332.169 3.722 0 50 EHAA in-vitro O=C(COc1ccc(F)cc1F)N1CCCC[C@@H]1c1nccs1 169979011 MBROXMJIRLEOFA-CYBMUJFWSA-N 338.379 3.554 0 50 EHAA CC[C@H](C(=O)Nc1ccccc1C[S@](C)=O)c1ccc(OC)cc1 192590915 OIKPAPUZHZXABH-XDHUDOTRSA-N 345.464 3.706 0 50 EHAA COc1cccc2c1CC[C@@H]2NC(=O)NCc1ccc2ncccc2c1 194250698 VLCJLBUJTZGOSF-IBGZPJMESA-N 347.418 3.730 0 50 EHAA Cc1cc(C)n([C@H](C)Cc2nc(-c3ccc(C(F)F)nc3)no2)n1 664957263 DFNHKHWNOLWWMD-LLVKDONJSA-N 333.342 3.686 0 50 EHAA COC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccncc1 1772491367 SCLOBMBKZIWZKD-INIZCTEOSA-N 326.396 3.699 0 50 EHAA CCCCN(Cn1nnc2ccccc21)c1cccc([N+](=O)[O-])c1 5309132 NBJVMRXYTKXOLG-UHFFFAOYSA-N 325.372 3.604 0 50 EHAA COc1ccc(CN2CCC(CO)(Cc3ccccc3)CC2)cc1 12228925 XXOJGWINCMNNLX-UHFFFAOYSA-N 325.452 3.512 0 50 EHAA CC(=O)c1cccc(CN[C@H](C)c2cnc(-c3ccncc3)nc2C)c1 12701337 PXXKYOHXVKMEKF-CQSZACIVSA-N 346.434 3.900 0 50 EHAA CCCc1sc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1Br 16602450 VSFPTDAAWUBOOO-GXSJLCMTSA-N 346.290 3.760 0 50 EHAA Cc1nc(CCN2CCC(Oc3ccc(F)cc3)CC2)c(C)s1 19837142 VYQLHNUIJHVPTN-UHFFFAOYSA-N 334.460 3.985 0 50 EHAA O=C(O)CC(=Cc1ccnn1CC1CCC1)c1nc2ccccc2o1 1857529367 QSJGDSZSFDWGOY-UHFFFAOYSA-N 337.379 3.840 0 50 EHAA CC[C@@H](C(=O)NC1(c2nc(C)cs2)CCOCC1)c1ccccc1 225745505 QMWKPBDBOOVROK-MRXNPFEDSA-N 344.480 3.767 0 50 EHAA CN(CCCn1ccnc1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 132279727 MCAUSMDAMHBGNU-UHFFFAOYSA-N 345.752 3.718 0 50 EHAA Clc1ccc2nc(CNc3nc(C4CCOCC4)ns3)[nH]c2c1 663588752 NAVSZPUZZLBSLT-UHFFFAOYSA-N 349.847 3.574 0 50 EHAA O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@H]1CCC[C@@H](c2ccccc2)C1 827811632 RUOHBGYFCNKTRC-UWVAXJGDSA-N 348.446 3.704 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)ccn3)C2)c1 932126409 QNCGWZXYXZEPBY-LJQANCHMSA-N 346.434 3.731 0 50 EHAA OC1CCN(c2ccnc3c(-c4ccc5ccccc5c4)cnn23)CC1 1857602654 BBOLAQNYANMCEW-UHFFFAOYSA-N 344.418 3.511 0 50 EHAA COc1cc(NCc2ccn([C@@H]3CC3(F)F)n2)cc(OC(C)C)c1 1875397257 SHERBPKWXUYALB-MRXNPFEDSA-N 337.370 3.871 0 50 EHAA Cn1nc2ccccc2c1C(=O)N[C@H]1CC[C@H](Oc2ccccc2)CC1 1875304964 APKOVKCXDSPZFT-JCNLHEQBSA-N 349.434 3.693 0 50 EHAA Cc1cc(NC(=O)c2cccnc2-c2nc3ccccc3s2)no1 6662534 GLZGPRUFCREOCF-UHFFFAOYSA-N 336.376 3.907 0 50 EHAA CO[C@]1(C)C[C@H](OC(=O)c2cnn(-c3ccccc3F)c2C)C1(C)C 2325868546 AQLVUJKTLSCIAP-QFBILLFUSA-N 346.402 3.680 0 50 EHAA Cc1cc(C)n(C(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1 142697 FMQOPIHXBWFHNP-UHFFFAOYSA-N 325.412 3.707 0 50 EHAA CCOC(=O)[C@@H](C(=O)Nc1cc(N(C)C)ccc1C)C1CCCCC1 198861 RSCQCPKZHUNIOA-GOSISDBHSA-N 346.471 3.759 0 50 EHAA O=C(Nc1nonc1-c1nc2ccccc2[nH]1)c1ccccc1Cl 211716 PGYQILWHLURRDA-UHFFFAOYSA-N 339.742 3.519 0 50 EHAA CC1CCN(c2ccccc2NC(=S)NC(=O)c2ccco2)CC1 558378 KKVIWJQOVHQMHK-UHFFFAOYSA-N 343.452 3.643 0 50 EHAA O=C1CS[C@]2(C(=O)Nc3ccccc32)N1c1cccc2ccccc12 1123388 DJXMUYNZHYTLFL-HXUWFJFHSA-N 346.411 3.725 0 50 EHAA CC(=O)c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 4090553 YENCIOVJZGHEGW-UHFFFAOYSA-N 338.388 3.762 0 50 EHAA O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cccc(Cl)c1 4128649 WOZXXHLZWJDNPP-CQSZACIVSA-N 332.812 3.782 0 50 EHAA CCOc1ccccc1C(=O)Oc1ccc2c(CC)cc(=O)oc2c1 4821353 GGNCTPGBHHZIKE-UHFFFAOYSA-N 338.359 3.973 0 50 EHAA Cc1cnn([C@@H](C)C2CC2)c1NC(=O)c1ccccc1-n1cccn1 55211757 JEBWAJFGBUCQPG-AWEZNQCLSA-N 335.411 3.601 0 50 EHAA O=C(Cc1c[nH]cn1)Nc1ccccc1OCCCc1ccccc1 55199160 SFHSNZSAJHVVPX-UHFFFAOYSA-N 335.407 3.603 0 50 EHAA CCOc1nc(C)ccc1C(=O)Nc1c(C)cc(OC)c(C)c1C 345415018 UGKDKJLQMNNMMW-UHFFFAOYSA-N 328.412 3.975 0 50 EHAA CN(C(=O)Nc1cn(C)nc1C(F)(F)F)[C@@H]1CCc2ccccc21 331687282 VUKHAWMMIZPUNY-CYBMUJFWSA-N 338.333 3.590 0 50 EHAA C[C@H]1[C@H](OC(=O)c2csc(-c3ncccn3)n2)C[C@H]2C[C@H]1C2(C)C 252516896 XPMVWCQXJFKUNL-HKUMRIAESA-N 343.452 3.828 0 50 EHAA COc1ccc(CNC(=O)/C=C/c2ccc(OCCCF)cc2)cc1 6181886 AHCCKOBSUFKSNE-KPKJPENVSA-N 343.398 3.763 0 50 EHAA CC(C)c1nnc(CNC(=O)N2CCC[C@H]2c2cccc(F)c2)s1 253429319 CRJKXQUOMJKIQD-AWEZNQCLSA-N 348.447 3.847 0 50 EHAA CCN(C(=O)c1ccc[nH]1)[C@H](c1cccnc1)c1ccc2c(c1)CCO2 253426121 ITEBGOWWDXGEGL-FQEVSTJZSA-N 347.418 3.596 0 50 EHAA Cc1ccc([C@H](C)NCCCS(=O)(=O)Cc2ccccc2)cc1C 127428013 GTQCYWHRLCUOAP-SFHVURJKSA-N 345.508 3.959 0 50 EHAA Cc1nccn1CC[C@@H]1CCCCN1Cc1ccc2nsnc2c1 77302067 DTDLCROHEGEJCL-INIZCTEOSA-N 341.484 3.641 0 50 EHAA COc1ccc2c(NC(=O)CCCOc3ccc(F)cc3)n[nH]c2c1 447254568 CEHLOCCLUSWKEU-UHFFFAOYSA-N 343.358 3.508 0 50 EHAA CC(C)[C@@H](NC(=O)c1ccn(C)c1C1CCC1)c1nc(C2CC2)no1 339845693 WMNPXLDAUIFVTO-OAHLLOKOSA-N 342.443 3.680 0 50 EHAA Cc1ccc2cccc(C(=O)N3CCC[C@H]3c3c(C)nn(C)c3C)c2n1 133040318 JGHJDZBNQVHBAU-SFHVURJKSA-N 348.450 3.871 0 50 EHAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)no1 33269839 PFJLLHYTCONDSX-INIZCTEOSA-N 337.379 3.924 0 50 EHAA CCn1c(C)ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1=O 77287404 IUZLGPSHLVJDBI-GOSISDBHSA-N 342.414 3.683 0 50 EHAA C[S@](=O)C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 173141894 CMCQXHHHMIPKRX-HXOBKFHXSA-N 349.883 3.509 0 50 EHAA Cc1csc([C@@H]2CN(C(=O)c3csc4ccccc34)CCO2)n1 283209741 NHSGHBMONNBKEJ-AWEZNQCLSA-N 344.461 3.880 0 50 EHAA COc1ccccc1C(=O)c1c(-c2ccccc2)nn(C)c1Cl 44125319 FNCJXHSHVKGSOE-UHFFFAOYSA-N 326.783 3.980 0 50 EHAA C[C@H]1C[C@@H](N)CCN1C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 237496959 YBIDRYLDGYOMOP-XUJVJEKNSA-N 328.378 3.537 0 50 EHAA O=C(c1ccncc1F)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 179002208 TZCIQMYXYMGAET-LPHOPBHVSA-N 342.414 3.729 0 50 EHAA CN1CCC[C@@H](CCc2ncnn2-c2cccc(C(F)(F)F)c2)C1 91444477 HPQFGDWSUMWUGK-ZDUSSCGKSA-N 338.377 3.561 0 50 EHAA Cc1ccnc([C@H](C2CC2)n2cc(-c3ccc(-c4cc[nH]n4)o3)nn2)c1 91986471 AFYCGGZSIFWSSA-IBGZPJMESA-N 346.394 3.631 0 50 EHAA CCOc1ccccc1NC(=O)N1CC[C@@](O)(c2ccccc2C)C1 299756262 FMSUALJXXYCDER-FQEVSTJZSA-N 340.423 3.519 0 50 EHAA COCC1(N(C)C(=O)c2cccc(-c3cccc(N(C)C)c3)c2)CC1 299769965 KMBDOIBGFKAQLJ-UHFFFAOYSA-N 338.451 3.671 0 50 EHAA CSCC[C@@H](CO)NC(=O)c1cccc(-c2cccc(C)c2)c1 824912915 INVXPJSMXPBKAV-SFHVURJKSA-N 329.465 3.506 0 50 EHAA COc1cccc(C)c1C(=O)N(Cc1ccc2c(c1)OCO2)C1CC1 952969444 NHZKQZRSMYTUFA-UHFFFAOYSA-N 339.391 3.537 0 50 EHAA Fc1cc(Cl)ccc1CNC1CCN(Cc2ccccn2)CC1 187580858 DNDUMRLDDVSAJA-UHFFFAOYSA-N 333.838 3.628 0 50 EHAA CCOc1ccc(-c2cn([C@H](CC)c3ccccn3)nn2)cc1F 656466959 LILSGPOQJDTZCK-QGZVFWFLSA-N 326.375 3.877 0 50 EHAA Cc1cc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc(C)c1Br 101510261 QABXOPSAHXPLOQ-BETUJISGSA-N 334.213 3.522 0 50 EHAA CCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1 207511 ZBLBMHKWFDIDOD-BJMVGYQFSA-N 325.364 3.508 0 50 EHAA CCOc1ccccc1N1CCN(C(=O)/C=C/c2cccs2)CC1 997590 GLFVTNMSLHRHMF-MDZDMXLPSA-N 342.464 3.509 0 50 EHAA O=C(Nn1cnnc1)c1cc(-c2cccc(Cl)c2)nc2ccccc12 5048599 FWNJZWJKLQBLRL-UHFFFAOYSA-N 349.781 3.531 0 50 EHAA CCn1ncc(CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c1C 12028609 TYKRKATUUFGBTM-INIZCTEOSA-N 334.414 3.566 0 50 EHAA COc1cc(-c2nc(CN3CCCC[C@H]3CCO)c(C)o2)ccc1F 12297733 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CC(C)C[C@@H]1CC[C@H](NC(=O)NCCc2nn(C)c3ccccc23)C1 1875354891 SFBCEISMZXXHSW-HOTGVXAUSA-N 342.487 3.630 0 50 EHAA Cc1cn2nccc2c(NC[C@H]2CCN(Cc3ccccc3)C[C@H]2C)n1 1875362012 LQQMDWUATWNYJN-VQIMIIECSA-N 349.482 3.608 0 50 EHAA Oc1cccc(CN2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c1 353541190 HIEXTJDCNGLSIM-QFIPXVFZSA-N 336.479 3.880 0 50 EHAA CN(Cc1ccc(C2CC2)cc1)C(=O)c1cc2occ(C(=O)O)c2[nH]1 2325788714 ZCAPNGMZKLJLJP-UHFFFAOYSA-N 338.363 3.609 0 50 EHAA Cc1cc2c(cn1)CCN2C(=O)c1cc2c(Cl)cc(F)cc2[nH]1 2325822957 ZAFVAAVRYUSXOH-UHFFFAOYSA-N 329.762 3.867 0 50 EHAA c1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1 94138 WPENLLOICBPYIE-UHFFFAOYSA-N 342.428 3.521 0 50 EHAA COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccccc1 455916 APZBXBYFWNHNPG-UHFFFAOYSA-N 336.416 3.975 0 50 EHAA Cc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 3135891 DUDMIDXPVZMMOJ-UHFFFAOYSA-N 348.368 3.976 0 50 EHAA CCc1nc(O)ccc1-c1nc(C2CCCC2)nn1-c1ccccn1 2356159004 HWRFBMAOHWWTRO-UHFFFAOYSA-N 335.411 3.650 0 50 EHAA CCc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccccc1 6702428 AANXNKZNQSNEGQ-UHFFFAOYSA-N 338.436 3.561 0 50 EHAA CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(NC(C)=O)cc1 6729957 GMQNPXFNCCPYIK-SFHVURJKSA-N 326.396 3.750 0 50 EHAA O=C(N[C@H](CO)c1ccccc1)c1cccc(-c2ccc(O)cc2)c1 55575593 DSLSOXMMTQGFBD-HXUWFJFHSA-N 333.387 3.523 0 50 EHAA CCOc1ccc(C(=O)CCC(=O)N(C)[C@H](C)c2ccon2)cc1C 55061101 GFHVQBDTVXTHKJ-CQSZACIVSA-N 344.411 3.564 0 50 EHAA Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccccc1Cl)N(C)C 22203766 XQBPCNUJIWRJEZ-QGZVFWFLSA-N 341.846 3.584 0 50 EHAA Cc1ccc(C(=O)N2CCC(C)CC2)cc1NC(=O)c1ccco1 10028961 SENNZRCFWLZEGA-UHFFFAOYSA-N 326.396 3.712 0 50 EHAA Cc1ccc(C(C)C)c(COC[C@H](O)CN2C[C@@H](C)C[C@H](C)C2)c1 22130504 AXXJCUIXRRRGQT-CMKODMSKSA-N 333.516 3.974 0 50 EHAA CN(C)c1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4cccs4)c32)cc1 65529176 BJNZVAPEGUHKFY-ZDUSSCGKSA-N 338.436 3.678 0 50 EHAA COC(=O)N1CCc2[nH]nc(-c3cc(F)c(Cl)cc3Cl)c2C1 23214568 XKNQDMXZZZQKLT-UHFFFAOYSA-N 344.173 3.647 0 50 EHAA Cc1ccc2c(C(=O)N3CCCCC3)cc(-c3cncnc3)nc2c1C 63869929 HQVCGWXWVKYHIP-UHFFFAOYSA-N 346.434 3.935 0 50 EHAA CC[C@H](c1ccccc1)c1nnc(NCc2c(Cl)cnn2C)o1 128800981 GNUVMZSLOMHIJA-GFCCVEGCSA-N 331.807 3.611 0 50 EHAA Cc1ccc2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)C(=O)N2C 4164765 DLEHJJPGKGNIMC-UHFFFAOYSA-N 345.398 3.717 0 50 EHAA O=C1C[C@H](c2cccc(Cl)c2)c2c(c3ccccc3[nH]c2=O)O1 4387071 UXTKNBCQCQZBRC-CYBMUJFWSA-N 325.751 3.623 0 50 EHAA CCC(CC)c1cc(CNC(=O)[C@@H](C)N2CCc3ccccc32)on1 174040095 JIZVMACNUOBGKJ-CQSZACIVSA-N 341.455 3.646 0 50 EHAA Cc1ccc([C@@H]2CN(C(=O)c3sccc3Cl)C[C@H]2N(C)C)cc1 77321136 FIKKLAMKESNJBW-GOEBONIOSA-N 348.899 3.880 0 50 EHAA CCn1nc(C(C)C)cc1C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 76011485 DNBFXJYLOPEIKW-ZDUSSCGKSA-N 345.443 3.535 0 50 EHAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1cccc(Cl)c1 77407233 KGXPKQXMGUVENC-QGZVFWFLSA-N 331.847 3.930 0 50 EHAA Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCOC[C@H]1c1ccco1 375390887 LXCSPHZNRSCXCX-INIZCTEOSA-N 343.427 3.568 0 50 EHAA CCCOc1ccc(Cl)cc1NC(=O)N1CCOC2(CCC2)C1 159336180 GDWOSQNUPULRCA-UHFFFAOYSA-N 338.835 3.916 0 50 EHAA C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)NC[C@@H]1CC[C@@H](C)O1 459157877 HQFKTLFQAFSTSY-XUJVJEKNSA-N 344.377 3.975 0 50 EHAA CCc1noc(C)c1NC(=O)c1ccc(N(C)c2ccccc2)nc1 178845560 PAJAGJMNBLIPJT-UHFFFAOYSA-N 336.395 3.961 0 50 EHAA Cc1nc(C(C)C)ccc1C(=O)Nc1cc(C(F)(F)F)cnc1O 292689251 CKBVOTFJXLOEOZ-UHFFFAOYSA-N 339.317 3.885 0 50 EHAA CCCn1ccnc1CNC(=O)Nc1ccccc1O[C@H](C)CC 97295388 IANZFZDRYKQQFD-CQSZACIVSA-N 330.432 3.792 0 50 EHAA CCN(C(=O)c1cc(-c2ccc(C)s2)n[nH]1)[C@H]1CCOC(C)(C)C1 91474243 BBOKDQVOBHXXPJ-ZDUSSCGKSA-N 347.484 3.866 0 50 EHAA CC(C)CCc1cc(C(=O)N2CCCC[C@H]2c2cccnc2)[nH]n1 263585406 IFPIJTSAYIRVQY-SFHVURJKSA-N 326.444 3.761 0 50 EHAA biogenic CC[C@H](CNC(=O)N(Cc1ccc(C)s1)C1CCCC1)N(C)C 534660331 HPCSJTLEHDXDLO-OAHLLOKOSA-N 337.533 3.851 0 50 EHAA O=C(O)[C@@H]1CCCN1c1nnc(-c2cc(Cl)cc(Cl)c2)s1 263445411 YJMBRXKERPYPIU-JTQLQIEISA-N 344.223 3.565 0 50 EHAA O=C(NC[C@@H]1CCCOC1)Nc1cccc(/C=C/c2ccccn2)c1 299797094 PZUFSRDBGKLFQI-FVNWOWOISA-N 337.423 3.800 0 50 EHAA CC(C)c1nc(CCNC(=O)Nc2ccc(C(F)(F)F)cc2)no1 299790675 CPEOSTQAPCLOJS-UHFFFAOYSA-N 342.321 3.576 0 50 EHAA Fc1ccc(Cn2nc(-c3ccco3)nc2C[C@H]2CCCOC2)cc1 826589714 MCEDWMIRAIGGJN-OAHLLOKOSA-N 341.386 3.695 0 50 EHAA Cn1ccc2cc(CN3CCC(OCc4ccccn4)CC3)ccc21 825640353 CCDJGVWKUFXSEL-UHFFFAOYSA-N 335.451 3.755 0 50 EHAA Cc1ccc([C@@H](NC(=O)Cc2c(C)noc2C)c2cccnc2)cc1C 827847066 YRPOROPXRSIBPG-OAQYLSRUSA-N 349.434 3.752 0 50 EHAA CN(Cc1cccnc1)C[C@H]1CC[C@@H](Cc2nccc3ccccc23)O1 952854518 WCHZYEXCTSWSFK-VQTJNVASSA-N 347.462 3.852 0 50 EHAA CC(C)Cc1ccc([C@H](NC(=O)Nc2ncn(C)n2)C(C)C)cc1 1476681505 KVJMDHLDOSLGEF-MRXNPFEDSA-N 329.448 3.532 0 50 EHAA Cc1noc(-c2ccccc2)c1NC(=O)[C@@H]1COc2ccccc2C1 186730387 HYZVZGBIIQQBMN-INIZCTEOSA-N 334.375 3.840 0 50 EHAA Cc1ccc(O)c(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2)n1 278602146 FTPOGMHOHUYPNO-OAHLLOKOSA-N 339.439 3.722 0 50 EHAA CCCc1cc(=O)n2nc(NCC3CCCCCCC3)sc2n1 170634201 PKWLPQKBMSVXNL-UHFFFAOYSA-N 334.489 3.876 0 50 EHAA COCCC(C)(C)C(=O)Nc1cc(CCc2ccccc2C)n[nH]1 191318782 GJNKPZKMXLPKPK-UHFFFAOYSA-N 329.444 3.505 0 50 EHAA O=C(Cc1noc2ccccc12)N(CC(F)F)c1ccc(F)cc1 193869349 VNEFXDRTVARPQN-UHFFFAOYSA-N 334.297 3.808 0 50 EHAA CC(=O)c1cc(CC(=O)N(C)[C@@H](C)c2nc(C)sc2C)cs1 1506405749 BRLLDQSKUBJPRY-VIFPVBQESA-N 336.482 3.786 0 50 EHAA CCC[C@@H](NC1CCN(C(=O)c2ccncc2)CC1)c1cccs1 1506420479 FHKNBBZEMKOTQR-QGZVFWFLSA-N 343.496 3.879 0 50 EHAA Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1 12731580 VYFKNJDFLQBLOZ-SILNSSARSA-N 348.446 3.778 0 50 EHAA CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl 15685005 KOJKQRKYZXNKTJ-UHFFFAOYSA-N 332.787 3.949 0 50 EHAA CC(C)c1ncc(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)cn1 1857688587 RQZKTXXJWJBJMS-FUHWJXTLSA-N 339.487 3.728 0 50 EHAA Cc1cc(C(=O)Nc2cc(C3CCOCC3)[nH]n2)c(Cl)cc1F 132724783 CPJLOOKERAEFMC-UHFFFAOYSA-N 337.782 3.657 0 50 EHAA Cc1nc(CC(C)C)oc1C(=O)NCCc1cnc2ccccc2c1 830897069 UTLWJCOJLFALRU-UHFFFAOYSA-N 337.423 3.702 0 50 EHAA CC(C)c1cc([C@@H]2CCCN(C(=O)Nc3cncc(Cl)c3)C2)n[nH]1 932129635 NJEJFPPLTSDXLK-GFCCVEGCSA-N 347.850 3.993 0 50 EHAA Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccnn1C1CCC1)CCC2 934706304 HZXQOXHXKKMEIL-CQSZACIVSA-N 345.472 3.914 0 50 EHAA Cc1ccc(Cl)c(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)c1 934795321 TXGXXOOJFFIMCM-HNNXBMFYSA-N 342.826 3.636 0 50 EHAA COCC1(Cn2ccc(=O)c3cccc(OC(F)(F)F)c32)CCC1 888090965 IGQKSZWUIWAHNY-UHFFFAOYSA-N 341.329 3.717 0 50 EHAA Fc1cccc(Cl)c1CCc1noc([C@]23CCC[C@H]2OCC3)n1 897180049 SUEKMZCHEXPHPI-PBHICJAKSA-N 336.794 3.858 0 50 EHAA N[C@@H](c1ccccc1)c1noc(-c2cc(OC3CCCC3)ccn2)n1 2325791761 JBUIKPPJPCLTOO-KRWDZBQOSA-N 336.395 3.501 0 50 EHAA CCC(CC)CC(=O)N[C@@H](C)CNC(=O)C1(C)CCC(F)(F)CC1 2325794511 DZFYSLDZTKNKLD-ZDUSSCGKSA-N 346.462 3.649 0 50 EHAA CCOc1ccc(C[C@@H](C)CNC(=O)C2CC3(CC[C@@H]3OC)C2)cc1 2325806422 SEPUZDBDAWKKJY-SAQLVXJXSA-N 345.483 3.585 0 50 EHAA Cc1nnc([C@@H](C)OC(=O)c2cc(Cl)cc(C(F)(F)F)c2)o1 123194027 BTJDNAAGYMHKCA-ZCFIWIBFSA-N 334.681 3.968 0 50 EHAA COc1ccc2c(c1)C1=NN(C(C)=O)[C@H](c3ccc(F)cc3)[C@H]1CC2 193201 NZVASBWFMHOING-FXAWDEMLSA-N 338.382 3.704 0 50 EHAA Cc1cc(SCC(=O)NCCc2ccccc2)nc2ccccc12 210988 XCRLFLKONYNXOS-UHFFFAOYSA-N 336.460 3.994 0 50 EHAA COc1cc(OC)c(NCc2ccc(OC)c(OC)c2)cc1Cl 395007 DUVXWBVIDOZCSB-UHFFFAOYSA-N 337.803 3.987 0 50 EHAA COc1ccc(CCC(=O)N2C(=O)OC[C@H]2c2ccccc2)c(C)c1 406140 OFDJMXHWOGQYPB-SFHVURJKSA-N 339.391 3.656 0 50 EHAA Cn1ncc(Br)c1C(=O)Nc1ccc(Cl)cc1Cl 468486 LIKHNONFKZVCMA-UHFFFAOYSA-N 349.015 3.742 0 50 EHAA COc1cc(C(=O)Nc2cccc3ncccc23)cc(OC)c1OC 528620 DWJVKOVVZRQBFA-UHFFFAOYSA-N 338.363 3.513 0 50 EHAA CCOc1ccc(Cc2nnc(S)n2Cc2ccccc2)cc1 1253898 LGGNHEJNQPJPIV-UHFFFAOYSA-N 325.437 3.605 0 50 EHAA Cc1ccc([C@@H]2CC(=O)c3cnn(-c4nc(C)cc(C)n4)c3C2)cc1 2199748 AZRHMNYSWNHMBV-INIZCTEOSA-N 332.407 3.500 0 50 EHAA CC1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1 6702608 ZKUZDLSWCHGBIA-UHFFFAOYSA-N 328.437 3.873 0 50 EHAA C=Cc1ccc(COC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1 6914285 ZEFFXECLPUCWOJ-UHFFFAOYSA-N 348.402 3.725 0 50 EHAA CC1CCC(N2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)CC1 115568086 QEFSSCZLLOQIPL-XUJQIHCRSA-N 336.907 3.570 0 50 EHAA CCN(C(=O)[C@H](C)OCC(C)C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 229687300 LZVFHDBCMJLOFT-CMKODMSKSA-N 346.515 3.732 0 50 EHAA O=C(c1ccccc1-n1cccc1)N1CCO[C@H](c2ccccc2)C1 20724531 BXLLSDZTCLVVRB-FQEVSTJZSA-N 332.403 3.691 0 50 EHAA CC(=O)N[C@H]1C[C@@H](c2cnn(-c3cccc(C)c3)c2)O[C@@H](C(C)C)C1 65376046 VKZHIVJFMPHMSO-RLLQIKCJSA-N 341.455 3.562 0 50 EHAA CC(C)C[C@H](C(=O)N1CCO[C@@H](c2ccccc2)C1)n1cccc1 409414158 OEGBEQXFESKYGY-RTBURBONSA-N 326.440 3.675 0 50 EHAA Cc1ccccc1NC(=O)[C@H](C)Oc1c(F)c(F)cc(F)c1F 2746517 LZJKMWWTNBOSHW-VIFPVBQESA-N 327.277 3.957 0 50 EHAA CC(C)c1ncncc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C 253431277 UYLAWAHNHVJSTE-HIFRSBDPSA-N 327.403 3.757 0 50 EHAA CS(=O)(=O)c1ccsc1NC(=O)CC1CC(c2ccccc2)C1 282094300 BABINSPLJHXYSY-UHFFFAOYSA-N 349.477 3.674 0 50 EHAA Cc1ccc(C)c([S@@](=O)Cc2ccn(-c3ccc(F)cc3)n2)c1 173145926 UYFGMQZHCZUDCG-QHCPKHFHSA-N 328.412 3.936 0 50 EHAA CCC[C@@]12CCCN1C(=O)N(C1CC(c3ccccc3OC)C1)C2=O 369143337 LKPAWECOUQDSLG-WSNMIEGMSA-N 342.439 3.538 0 50 EHAA CN1CCC([C@H]2CCN(C(=O)c3ccc(SC4CC4)cc3)C2)CC1 341111168 HSHVDWIPHPUOOT-KRWDZBQOSA-N 344.524 3.745 0 50 EHAA Cc1cccc(O[C@H](C(=O)N2CC(Oc3ccccc3)C2)C(C)C)c1 219636777 AUFLTAURZISGHG-FQEVSTJZSA-N 339.435 3.688 0 50 EHAA Cc1n[nH]cc1C1CCN(C(=O)c2cccc3ccsc23)CC1 375966363 ZBUWZGPZAQJUTR-UHFFFAOYSA-N 325.437 3.953 0 50 EHAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)CCc1cccs1 77518648 QKLQWSHPZLHVBI-UHFFFAOYSA-N 343.427 3.664 0 50 EHAA Cc1nc[nH]c1CSCCn1ccnc1-c1cccc(F)c1F 72453436 YRKWMZKJUIWSIF-UHFFFAOYSA-N 334.395 3.793 0 50 EHAA O=C1C[C@@H](c2cc(Cl)ccc2F)c2ncn(-c3cccnc3)c2N1 40288432 NSIWRQGYFWEWPE-ZDUSSCGKSA-N 342.761 3.534 0 50 EHAA C[C@H]1CCCCN1C1CN(C(=O)CCCc2ccc(Cl)cc2)C1 77469826 WVYKVDUOYMFYSA-HNNXBMFYSA-N 334.891 3.748 0 50 EHAA Cc1ccc(C(=O)CCCN2CCC[C@@H](c3nccn3C)C2)cc1 82086712 JICIJAGDFATWHG-GOSISDBHSA-N 325.456 3.571 0 50 EHAA Cc1cc(C)c(NC(=O)N(CCCO)Cc2ccncc2)c(Cl)c1 97742722 DLZSADKCEYNDTC-UHFFFAOYSA-N 347.846 3.768 0 50 EHAA CCCc1nc(C)cc(N2CCC(NCCCc3ccco3)CC2)n1 95496569 VDYFDODVFZCFQX-UHFFFAOYSA-N 342.487 3.522 0 50 EHAA O=C1CCCN1CC[C@H]1CN(Cc2cccc(O)c2)c2ccccc21 180778131 WNGGBACFLOFASL-KRWDZBQOSA-N 336.435 3.509 0 50 EHAA CS(=O)(=O)C[C@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 97474981 DZLLTHDHQFEVLA-HNNXBMFYSA-N 349.521 3.672 0 50 EHAA Cc1c(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cccc1-n1cccc1 95507402 DGBQZWRAZAJEDO-MRXNPFEDSA-N 349.438 3.920 0 50 EHAA CC[C@@]1(CO)CCCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 92097498 PJCBBQXGUOFGJX-LJQANCHMSA-N 345.874 3.782 0 50 EHAA O=C(CCn1cc(Cl)cn1)N[C@H]1CCCC[C@H]1CC(F)(F)F 295778747 LQDGWUMUAGCHKT-JQWIXIFHSA-N 337.773 3.554 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N1CC[C@@H](Oc2ccccc2)C1 299766798 FUTKUZKZXNWSOX-OAHLLOKOSA-N 330.453 3.868 0 50 EHAA Cc1ccccc1[C@@H](NC(=O)CSCC1CC1)c1ccncc1 299802247 KBTLQQZUOVMNOE-IBGZPJMESA-N 326.465 3.739 0 50 EHAA Cc1[nH]c(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c(C)c1C(=O)OC(C)C 170626372 XISDMFYUKQTKLY-SLEUVZQESA-N 334.460 3.751 0 50 EHAA CC(C)n1ncc2cc(CNC[C@H]3CCO[C@@H]3C(C)(C)C)cnc21 189233920 CPVICMLYBZADDU-WBVHZDCISA-N 330.476 3.553 0 50 EHAA CCC[C@]1(COC)CCCN1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 194739675 RLURQAOHHXUDLN-LJQANCHMSA-N 342.443 3.890 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Nc3cccc(SC)c3)C[C@@H]21 1704358572 NZDOIHQWRUPBIF-RPVQJOFSSA-N 334.485 3.813 0 50 EHAA Cc1cccc(CN(Cc2cnc(C(=O)O)cn2)C2CCCCC2)c1 1772709431 JRTYHVXTYOVQRZ-UHFFFAOYSA-N 339.439 3.818 0 50 EHAA c1csc(-c2noc(CN3CCC(c4ccncc4)CC3)n2)c1 11938339 WREOLQMJKLTINH-UHFFFAOYSA-N 326.425 3.573 0 50 EHAA O=C(c1ccc2ccccc2c1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 12303079 UMNYUEBFNVIDMX-HXUWFJFHSA-N 344.414 3.970 0 50 EHAA OC[C@@H]1CCCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)C1 13497380 MTROIGXNHBRXPK-OAHLLOKOSA-N 342.464 3.880 0 50 EHAA C[C@H]1CCc2sc(C(=O)Nc3nnc(C(F)(F)F)s3)cc2C1 13746656 VWRFNLHXVKSSNH-LURJTMIESA-N 347.387 3.996 0 50 EHAA CSc1cccc(NC(=O)c2ccccc2S[C@@H](C)C(N)=O)c1 225748212 VXCOEXBFSRQXFF-NSHDSACASA-N 346.477 3.627 0 50 EHAA COc1ccc2ccccc2c1CNC(=O)NC[C@@H]1CCC[C@@H](C)O1 660271873 GXSVKLPOCVFHNV-ZBFHGGJFSA-N 342.439 3.605 0 50 EHAA CC(C)(C)OC(=O)NCc1ccc(NC(=O)C(C)(C)C)c(Cl)n1 35270484 FNXWDMLQFVZMRQ-UHFFFAOYSA-N 341.839 3.744 0 50 EHAA in-vitro O=S(=O)(NC(c1ccccc1)c1ccccc1)c1cccs1 2504035 JZGHUKRFSHMYTN-UHFFFAOYSA-N 329.446 3.816 0 50 EHAA CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 455414 SKGQILMDVPJYKF-UHFFFAOYSA-N 347.798 3.843 0 50 EHAA COc1ccc(CNC(=O)CSCc2ccc(Cl)cc2)cc1 567343 ZEEFWMIUNBVDQY-UHFFFAOYSA-N 335.856 3.898 0 50 EHAA CCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 2052162 GPZIYJGKLROXKP-UHFFFAOYSA-N 345.424 3.535 0 50 EHAA CCc1nnc(NC(=O)CCCOc2ccc(Cl)cc2C)s1 2080187 LKFNSPXOBAWRBI-UHFFFAOYSA-N 339.848 3.860 0 50 EHAA CC1CCN(CCOCCOc2ccc(Br)cc2)CC1 2190771 IKNAQBOZMZGADT-UHFFFAOYSA-N 342.277 3.576 0 50 EHAA O=C1NCCC[C@@]12CCCN2Cc1cccc2c1oc1ccccc12 2356158501 MSCKYCJSERVJLR-OAQYLSRUSA-N 334.419 3.831 0 50 EHAA COc1cccc(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 6731195 XBIQVWHQJPVPRZ-UHFFFAOYSA-N 339.395 3.575 0 50 EHAA O=C(Nc1ccccc1-c1noc(-c2cccc(Cl)n2)n1)C1CC1 225591215 FQMPGOUTVMXUGW-UHFFFAOYSA-N 340.770 3.801 0 50 EHAA Fc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1 53536549 FDAJDIGYJZNBRG-KRWDZBQOSA-N 339.414 3.883 0 50 EHAA ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C=CC=C[C@@H]3[C@@]1(Cl)C21OCCO1 104129377 VYMWZHZIYFBOHN-VVJJBPBLSA-N 340.033 3.760 0 50 EHAA Cc1nonc1CN(C)Cc1nc(-c2ccccc2Cl)oc1C 20235001 IIVFITSFEFNZCN-UHFFFAOYSA-N 332.791 3.627 0 50 EHAA CSc1nc(N)c2c3c(sc2n1)CN(Cc1ccccc1)CC3 20814237 PUVFMZWLFZSDFL-UHFFFAOYSA-N 342.493 3.554 0 50 EHAA COc1cc(CN2CCCC[C@H]2c2cccnc2)cc2c1OCO2 22022976 HICQBPQOOOAKCS-INIZCTEOSA-N 326.396 3.546 0 50 EHAA C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc2[nH]ccc2c1)C1CC1 67713184 ZUCJOBNTAYGYDK-AWEZNQCLSA-N 325.456 3.580 0 50 EHAA COc1cccc(-c2c[nH]nc2C2CCN(Cc3ccncc3)CC2)c1 67885193 QNJVRTMAIOMIKR-UHFFFAOYSA-N 348.450 3.860 0 50 EHAA Cc1c(CN(C)Cc2c(-c3ccccc3)nc3ccccn23)cnn1C 67739762 MLOWAIXFPWTXTP-UHFFFAOYSA-N 345.450 3.675 0 50 EHAA c1ccc(-c2cc(CNc3ccc(Cn4cccn4)cc3)n[nH]2)cc1 119085069 GWWYPPKYJJTSMQ-UHFFFAOYSA-N 329.407 3.934 0 50 EHAA O=C(c1ccc2nc(S)oc2c1)N1CCOC2(CCCCCC2)C1 119898200 LMEGUUIPTVECBK-UHFFFAOYSA-N 346.452 3.682 0 50 EHAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)CCc1ccsc1 72479468 QBADXGPQCQSPQL-UHFFFAOYSA-N 325.437 3.525 0 50 EHAA O=C(c1ccoc1C1CC1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 253430497 JOLCJPXQLRLJDA-UKRRQHHQSA-N 331.437 3.947 0 50 EHAA FC1(F)CCN(Cc2ccc(OCCCn3ccnc3)cc2)CC1 216319726 JLPBZSBPOMZUSG-UHFFFAOYSA-N 335.398 3.583 0 50 EHAA COc1cc(I)c(Cl)cc1Br 36532749 DPYMUHPZDKXNNI-UHFFFAOYSA-N 347.377 3.716 0 50 EHAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc2ccccc2o1 328620681 HHVFBPUSCUHZIN-PXNSSMCTSA-N 349.434 3.593 0 50 EHAA O=C(O)c1ccccc1[C@@H]1CCN(Cc2ccnn2-c2ccccc2)C1 72140279 UBVPUZURBYCAKA-MRXNPFEDSA-N 347.418 3.560 0 50 EHAA C[C@@H](NC(=O)C1(c2cccnc2)CCCC1)c1nc2ccccc2n1C 365873368 DLDMNYPPWWSILL-OAHLLOKOSA-N 348.450 3.658 0 50 EHAA Fc1c(Cl)cccc1-c1nn2c(-c3ccccn3)nnc2s1 61720485 IGUJOYJWDVCSKA-UHFFFAOYSA-N 331.763 3.707 0 50 EHAA COC(=O)c1ccc(CSc2nnc(NCC(C)C)s2)s1 155448972 URAHNIWZZPZCKD-UHFFFAOYSA-N 343.499 3.746 0 50 EHAA c1cn(CC2CCOCC2)c(-c2cc(CN3CCCC3)cs2)n1 71753426 IKPPUCOUABLBPX-UHFFFAOYSA-N 331.485 3.634 0 50 EHAA CC(C)Cc1noc([C@H]2CCCN(c3ccc4cc[nH]c4n3)C2)n1 72157274 VHDSGALVXKDJGG-AWEZNQCLSA-N 325.416 3.528 0 50 EHAA Cc1cc(=O)[nH]cc1C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 129179961 FFTDUANXCOWXOD-SFHVURJKSA-N 335.407 3.532 0 50 EHAA COc1cccc(CSc2nnc(-c3ccccc3OC)n2C)c1 14117125 VBQOIAIACASTPH-UHFFFAOYSA-N 341.436 3.792 0 50 EHAA CNc1nc(-c2nc(C)nn2-c2ccc(C(F)(F)F)cc2)cs1 96135856 VAMIPLBCEPPIKP-UHFFFAOYSA-N 339.346 3.760 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)NCc1ccccc1-n1ccnc1 91594454 HVTQMANDSLLSCS-KRWDZBQOSA-N 331.419 3.609 0 50 EHAA Cc1ncsc1CCN(C)[C@@H](C(=O)O)c1c(F)cccc1Cl 95369876 DTFDVLSHEFPGMY-CQSZACIVSA-N 342.823 3.544 0 50 EHAA Cc1nccn1-c1ccccc1CNc1nccc(-c2ccccn2)n1 96153469 KPLNAGJCFKNTEQ-UHFFFAOYSA-N 342.406 3.645 0 50 EHAA CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 299064275 VNOLFUNOGOWENL-NHYWBVRUSA-N 348.786 3.549 0 50 EHAA C[Si](C)(C)CCOCn1cnc(C(F)(F)F)c1Br 261507636 KOHSMPVYZCEDNR-UHFFFAOYSA-N 345.235 3.977 0 50 EHAA Cc1c(NC(=O)Cc2cccc(F)c2)cccc1C(=O)NC(C)(C)C 828070193 XUHRGFVZNIYKAD-UHFFFAOYSA-N 342.414 3.844 0 50 EHAA CC(C)c1csc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)n1 670434020 LARIQOZFTSTBRD-ZDUSSCGKSA-N 349.525 3.722 0 50 EHAA CC[C@H](NCc1cc2cc3c(cc2nc1O)OCO3)c1cccs1 952870226 YJAONPFOVGIQJG-ZDUSSCGKSA-N 342.420 3.972 0 50 EHAA O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1C[C@H]2CCC[C@H]2C1 270376641 VBZFRPYGJVMKLG-IYBDPMFKSA-N 348.450 3.866 0 50 EHAA C[Si](C)(c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1CO 169745276 JZEALOHJMFHNHB-UHFFFAOYSA-N 330.503 3.573 0 50 EHAA in-vitro O=C(Cc1ccc(Cl)s1)Nc1ccc2c(c1)CCCC(=O)N2 193605403 VSUUDGFCEJBZFU-UHFFFAOYSA-N 334.828 3.858 0 50 EHAA O=C(NCC1(CF)CCOCC1)N[C@H]1CCCC12CCCCC2 661270401 KZLKZBOETYHNBC-HNNXBMFYSA-N 326.456 3.555 0 50 EHAA Cn1c(Cc2ccccc2O)nnc1N1CCC2(CCCCC2)CC1 668917005 KQLYBHYYPIFXNZ-UHFFFAOYSA-N 340.471 3.662 0 50 EHAA Cc1cccc(Cc2nnc(NC(=O)c3cccn3C3CC3)s2)c1 1506416039 GOXNIYAAXKYUAN-UHFFFAOYSA-N 338.436 3.826 0 50 EHAA Cc1ccsc1[C@H]1CCN(Cc2cc3ccccc3n2C)C[C@@H]1O 209928521 XKVCYPSJXZJVRO-HKUYNNGSSA-N 340.492 3.899 0 50 EHAA Cc1ncc2c(n1)[C@@]1(CCCN(Cc3ccc(Cl)s3)C1)CC2 1704358407 KOQDNYSZOXYMEV-KRWDZBQOSA-N 333.888 3.980 0 50 EHAA O=c1ccc(-c2ccc(F)cc2)nn1Cc1c(F)cccc1Cl 5399609 BDZWMAOTNQZBQA-UHFFFAOYSA-N 332.737 3.890 0 50 EHAA CC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)cc1 11770416 SVSVQKWGXLPXTN-LJQANCHMSA-N 340.398 3.745 0 50 EHAA CCNCC[C@H]1CCC(=O)N1CC(c1ccccc1)c1ccccc1 12204581 NANYIQYZERWMSK-HXUWFJFHSA-N 336.479 3.809 0 50 EHAA CC(C)Oc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1 12382810 DFRYJKHHYDBFQJ-UHFFFAOYSA-N 340.423 3.563 0 50 EHAA Cc1cccc(OCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1C 12651470 VEMUXGVCAWWWGQ-UHFFFAOYSA-N 340.423 3.915 0 50 EHAA CC(=O)c1cc(C(=O)NCCCN2CCCc3ccccc32)cs1 13996018 LWUZWRJDISIXPY-UHFFFAOYSA-N 342.464 3.523 0 50 EHAA Fc1ccc(-c2nc([C@@H]3C[C@@H]4CC[C@H]3O4)n(CC(F)(F)F)n2)cc1 1857715142 DGUFRXZAJUDVSK-YNEHKIRRSA-N 341.308 3.681 0 50 EHAA COc1cc(NC(=O)c2sccc2Cl)cc(OC)c1OC 225492618 OMCKESQOCOWYPE-UHFFFAOYSA-N 327.789 3.680 0 50 EHAA Cc1nc2ncnn2c(N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1C 225699581 JFXGDJYJIWUGBS-QZTJIDSGSA-N 331.423 3.566 0 50 EHAA CCn1cc([C@H]2OCCC[C@@H]2NCc2coc3ccccc23)cn1 328634047 MKYNPGOGTMFFLJ-PKOBYXMFSA-N 325.412 3.659 0 50 EHAA CC(C)N(C(=O)c1coc2c1C(=O)NCCC2)[C@@H](C)c1ccsc1 905968325 NLLUFQZBXGJNJE-LBPRGKRZSA-N 346.452 3.629 0 50 EHAA CCCOc1nc2ccccc2cc1C(=O)OC[C@@H]1C[C@@]12CCOC2 1875357748 VHGLZGFWFVPZLN-MGPUTAFESA-N 341.407 3.607 0 50 EHAA Cn1cc(-c2nc(-c3c[nH]c4cccc(F)c34)n(C3CCC3)n2)cn1 2325862132 KEBHIYPEMLLFRO-UHFFFAOYSA-N 336.374 3.691 0 50 EHAA CCOC(=O)[C@@H](C)n1cnc2scc(-c3ccc(C)cc3)c2c1=O 98448 FKXQLWWHTANTSJ-GFCCVEGCSA-N 342.420 3.558 0 50 EHAA COc1ccc(NC(=O)c2cncc(Br)c2)cc1Cl 145446 AOLKXWKPFHQLTG-UHFFFAOYSA-N 341.592 3.758 0 50 EHAA Cc1c(Cl)cccc1NC(=O)CSCC(=O)Nc1ccccc1 317006 ILNXQZIQEGAIKR-UHFFFAOYSA-N 348.855 3.959 0 50 EHAA O=C(Nc1cccc(O)c1)c1cccc(C(=O)Nc2cccc(O)c2)c1 342327 YPNSUNPIJSRQMY-UHFFFAOYSA-N 348.358 3.602 0 50 EHAA O=S(=O)(c1ccccc1)N1CCS[C@@H]1c1cccc(Cl)c1 440653 WOBGLIOGILLRRH-OAHLLOKOSA-N 339.869 3.776 0 50 EHAA COc1ccc(CNC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 460752 FCASITMGDWCZQQ-GXTWGEPZSA-N 328.239 3.903 0 50 EHAA NC(=O)c1c(NC(=O)CCCc2ccccc2)sc2c1CCCC2 476337 GTAYYLHALSJLSL-UHFFFAOYSA-N 342.464 3.687 0 50 EHAA CCc1ccc([C@H]2C[C@@H](c3ccccc3OC)n3nc(N)nc3N2)cc1 531441 PZZXIRBGXSTGKJ-SJORKVTESA-N 349.438 3.578 0 50 EHAA COC(=O)[C@@H](C(=O)NCc1ccc(Cl)cc1)C1CCCCCC1 616329 MWFZNLWJEUQSDU-MRXNPFEDSA-N 337.847 3.716 0 50 EHAA O=C(Nc1cccc(O)c1)c1ccc(NC(=O)c2cccs2)cc1 618942 HRDWARWHRBSCKR-UHFFFAOYSA-N 338.388 3.958 0 50 EHAA Cc1cc(SCCOc2ccc(Cl)cc2Cl)nc(N)n1 2813405 DJJHJVPZDLXYNN-UHFFFAOYSA-N 330.240 3.845 0 50 EHAA CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)cc1 3503531 AYOKXIIPUYQJRJ-GFCCVEGCSA-N 339.420 3.885 0 50 EHAA COc1ccc(Cl)cc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)O 6731396 GARMDYLWECVQLZ-QWHCGFSZSA-N 337.803 3.734 0 50 EHAA C[C@@H]1C[C@@H]1c1cc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)[nH]n1 225694285 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EHAA CC(C)c1cc([C@H]2CCCN2Cc2cnc(-c3ccccn3)nc2)no1 215215162 ZTMYZDQEUMRWPT-GOSISDBHSA-N 349.438 3.987 0 50 EHAA CC(C)n1cnnc1C1CCN(C(=O)c2sccc2Cl)CC1 285551661 URLHZLLJYZGQAB-UHFFFAOYSA-N 338.864 3.594 0 50 EHAA Cc1nn(C)c(C)c1-c1ccnc(N[C@@H](C)c2ccc(F)cc2)n1 48148046 OJKFIGUCQGMPGO-NSHDSACASA-N 325.391 3.806 0 50 EHAA COc1ccc(-c2ccc(N3CCCC3)nn2)c(-n2nc(C)cc2C)c1 426599530 ILFHINVEEDUGHM-UHFFFAOYSA-N 349.438 3.555 0 50 EHAA O=C(c1onc2c1CCCC2)N1CCCC[C@@H]1CCc1ccccn1 426430619 DXTKTGSVFMATAW-MRXNPFEDSA-N 339.439 3.576 0 50 EHAA CCc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)s1 20617184 XZYUWMYRDNFJAQ-GXSJLCMTSA-N 345.346 3.866 0 50 EHAA Cc1cc(C(F)(F)F)nn1CCNC(=O)Nc1cccc(Cl)c1 20606794 KSPPVABQGDEVSX-UHFFFAOYSA-N 346.740 3.685 0 50 EHAA O=C(O)c1nc(N2CCC[C@@H](C(=O)c3ccccc3)C2)ccc1Cl 95505433 MWGWDZGOJNGKCW-CYBMUJFWSA-N 344.798 3.533 0 50 EHAA COc1ccccc1CCCNC(=O)C1(c2ccc(F)cc2)CC1 91643429 PUUBTRDSEWICAL-UHFFFAOYSA-N 327.399 3.615 0 50 EHAA CCOc1ccc(Cl)cc1CN(C)C(=O)CCc1ccncc1 97815349 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O=C(N[C@H](c1cccc(Cl)c1)C(F)F)N[C@@H]1CCO[C@H]1C1CC1 932430056 VKGONQCZDAZGTQ-MCIONIFRSA-N 344.789 3.513 0 50 EHAA O=C(NCc1ccc2ccoc2c1)c1cncc(-c2ccccn2)c1 1875258448 AFDKVNQUYLABQI-UHFFFAOYSA-N 329.359 3.820 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(-n3nncc3C)cc2)c2cccnc12 1875342258 HIAJBEZQSCQVAO-UHFFFAOYSA-N 343.390 3.685 0 50 EHAA Cc1ccc2nc(C3CC3)cc(C(=O)NC34CCOC(C)(C3)C4)c2c1 1875312269 YUMZRGUVVHCYPG-UHFFFAOYSA-N 336.435 3.862 0 50 EHAA Cc1cc(NCCN(C)C)n2nc(C)c(-c3ccccc3Cl)c2n1 5245710 SDEVVMZTSPOVOR-UHFFFAOYSA-N 343.862 3.640 0 50 EHAA Cc1cnc(CCC(=O)N2C[C@H](c3ccccc3)c3ccccc32)[nH]1 2325858229 DWAOMHAFUDGBIS-GOSISDBHSA-N 331.419 3.829 0 50 EHAA CC(C)(C)NC(=O)COc1ccc2ccccc2c1Br 38914 VXSQRKUOCZKDLR-UHFFFAOYSA-N 336.229 3.896 0 50 EHAA CCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1 341957 NUJMZPSJSTZYNL-UHFFFAOYSA-N 340.408 3.503 0 50 EHAA Cc1occc1C(=O)Nc1sc(Cc2ccccc2)cc1C(N)=O 1054688 KSIODTYENSWLOS-UHFFFAOYSA-N 340.404 3.592 0 50 EHAA CCOc1ccc(NC(=O)Nc2nnc(-c3ccco3)s2)cc1 1168690 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3.941 0 50 EHAA Cc1cc(C(=O)N2CCC(C(=O)O)CC2)c(C)n1C1CCCCC1 237676418 UOVJKLAMWQVFFP-UHFFFAOYSA-N 332.444 3.547 0 50 EHAA C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)[C@H]1CCCO1 13321901 DIBLIKLNDVEPNF-JLTOFOAXSA-N 347.418 3.594 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N1CCO[C@@H](c2cccs2)C1 129964176 UUJZDZAVLXWZQX-GFCCVEGCSA-N 333.413 3.527 0 50 EHAA CC(C)c1nnsc1C(=O)Nc1cnc2c(F)c(F)ccc2c1 1439085960 WJTJDVVEZLTLGN-UHFFFAOYSA-N 334.351 3.740 0 50 EHAA CO[C@@]1(C)CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 239760924 CIKSFDORCYUJAE-INIZCTEOSA-N 329.362 3.666 0 50 EHAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)CC2 241719813 QPVCPXIFYLDTSO-XJNFMUPTSA-N 348.437 3.542 0 50 EHAA C[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2OCc2ccccc2)C[C@@H](C)O1 242106227 WHYLULXTBJLJFL-QQXMDYFESA-N 345.483 3.834 0 50 EHAA CCn1nc(C)c([C@@H](C)NC(=O)C2(c3ccc(C)cc3)CC2)c1C 223198979 BTSNQCQKPLOJSX-CQSZACIVSA-N 325.456 3.737 0 50 EHAA CC1(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)CCCC1 223825503 BCSBCAFQUVNFCG-GXOAENINSA-N 338.451 3.743 0 50 EHAA C[C@H](c1ccc(C(=O)NCCCOC2CCCC2)o1)N1CCCCC1 97679934 LMSHYMVPHOPZQY-MRXNPFEDSA-N 348.487 3.906 0 50 EHAA O=C(c1cc(C(F)(F)F)n[nH]1)N(Cc1cccc(Cl)c1)C1CC1 97546544 QSYGZQQSYMQDQC-UHFFFAOYSA-N 343.736 3.887 0 50 EHAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@H](c3ccncn3)C2)c1 97696166 YSXHHLLMLXLHEC-KRWDZBQOSA-N 347.466 3.863 0 50 EHAA Cc1cccn2c(CC(=O)N3CCCCC[C@H]3c3ccco3)cnc12 91625347 NXRNUZGNFVDTBD-KRWDZBQOSA-N 337.423 3.922 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N[C@@H](C)c1nncn1C1CCCC1 91626340 GMVLJTLLBZIOEE-LBPRGKRZSA-N 347.488 3.773 0 50 EHAA CC[C@H](NS(=O)(=O)c1ccccc1F)c1ccc(Cl)s1 252498368 RABXNQAZBPUEFW-JTQLQIEISA-N 333.837 3.970 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 253611235 AHRWWYGWQKBKBF-YBBHEWNQSA-N 330.468 3.982 0 50 EHAA CC(C)(C)C[C@@H](NC(=O)Cn1cc2ccccc2n1)c1cccnc1 534675260 GIVRYDOZCGPURY-GOSISDBHSA-N 336.439 3.725 0 50 EHAA O=C(NC1(c2ccc(Cl)cc2)CC1)N1CCC2(CCCO2)CC1 584902783 RXRZOEQTDKUPRS-UHFFFAOYSA-N 334.847 3.684 0 50 EHAA 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3.571 0 50 EHAA CCc1cc(C)cc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)c1 242896 APANHJUKHGWSMG-GOSISDBHSA-N 338.451 3.964 0 50 EHAA Cc1c(C(=O)NC(=S)Nc2ccc(Cl)cn2)oc2ccccc12 257682 XGTYFCDFVUCWSX-UHFFFAOYSA-N 345.811 3.916 0 50 EHAA Cc1cc2ncn(S(=O)(=O)c3ccc(C)c(C)c3C)c2cc1C 310658 FGLPSQMNSJBUBS-UHFFFAOYSA-N 328.437 3.815 0 50 EHAA O=C(/C=C/c1ccc(Br)cc1)NCCc1ccccc1 376366 OGJJREMOZSDJNY-DHZHZOJOSA-N 330.225 3.821 0 50 EHAA COC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CC[C@@H](C)C2 442557 AZCQXZSAIAFNNL-LXSSAFMLSA-N 345.420 3.904 0 50 EHAA COc1cc(-n2c(S)nnc2-c2ccccc2)c(OC)cc1Cl 1266739 OXOGXKPYLDFYEQ-UHFFFAOYSA-N 347.827 3.894 0 50 EHAA O=C(O)c1ccc(COc2ccc(Br)cc2Cl)o1 2521380 GMUGPBYRNBSZIP-UHFFFAOYSA-N 331.549 3.973 0 50 EHAA CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)s1 2777552 SFBIIGRAKCKHEC-UHFFFAOYSA-N 341.314 3.737 0 50 EHAA CCc1cc(C(=O)OC)c(NC(=S)N[C@@H](C)c2ccncc2)s1 2856126 PRYUGLHQLKPFRM-JTQLQIEISA-N 349.481 3.540 0 50 EHAA COc1ccc([C@H]2S[C@@H](C)C(=O)N2CCc2ccccc2)cc1 3098207 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330.472 3.865 0 50 EHAA CN(C)c1ccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1 65494481 FEODVWQKWMRBEO-INIZCTEOSA-N 332.407 3.617 0 50 EHAA Cc1n[nH]c(C)c1CN1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1 67688310 JVQJWBXKGYXDGO-UHFFFAOYSA-N 349.482 3.720 0 50 EHAA Cc1cc(-c2c(-c3ccccc3)ncn2Cc2ccc(CO)cc2)[nH]n1 67723859 VJTJEXWXQJDRIM-UHFFFAOYSA-N 344.418 3.789 0 50 EHAA COc1ccc(-c2nc(Cn3cnc(C4CCC4)n3)c(C)o2)c(F)c1 67881599 BMADKEJCGXIYEY-UHFFFAOYSA-N 342.374 3.705 0 50 EHAA Cc1cccc2cc(C(=O)N3CCC([C@@H](O)CC(C)C)CC3)n(C)c12 77505823 PJWQBGNLQIFVNL-IBGZPJMESA-N 342.483 3.746 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N(C)CCc3scnc3C)c2c1 77564899 CDJNPWSDRSQVQS-UHFFFAOYSA-N 339.464 3.931 0 50 EHAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1sccc1N 82134024 REJXWMNRXNWZFM-UHFFFAOYSA-N 335.479 3.788 0 50 EHAA C[S@@](=O)Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1 116027717 CWKLWHYVWNCNFM-XACMVJRISA-N 349.402 3.586 0 50 EHAA Cc1n[nH]c2ncc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)cc12 126530465 NFJANCLXRSJBBS-UWVGGRQHSA-N 326.322 3.574 0 50 EHAA CC(C)c1noc(-c2ccnc(NC[C@@H](O)c3cccc(F)c3)c2)n1 174703121 RMNFMBKUSQEIJA-OAHLLOKOSA-N 342.374 3.540 0 50 EHAA C[C@H](NCc1ccccc1-c1ccc(CN(C)C)cc1)c1ccnn1C 192649185 ACEVAWLABOGBIY-KRWDZBQOSA-N 348.494 4.000 0 50 EHAA Cc1cc(C)c2c(CC(=O)N3C[C@H](C)[C@@](O)(C4CCC4)C3)coc2c1 212841455 NFHAYHLBLIDTAL-YCRPNKLZSA-N 341.451 3.602 0 50 EHAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCC[C@H]2c2ccncc2)o1 253420077 LGEBRPFCWVLINH-KDOFPFPSSA-N 327.428 3.851 0 50 EHAA CC(=O)N1CC[C@@H](Nc2nnc(C(C)C)s2)c2ccc(F)cc2C1 253429561 SZDMNHCFZUXDHD-OAHLLOKOSA-N 348.447 3.706 0 50 EHAA Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCCc1cscn1 664480200 SYRBFZZCOQWFHV-INIZCTEOSA-N 329.469 3.849 0 50 EHAA O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1 768647198 QQKMBAWHQJGYKH-NHCUHLMSSA-N 346.382 3.887 0 50 EHAA COCCN(Cc1cccc(OC)c1)Cc1ccc2c(ccn2C)c1 824405482 QKTFAGYVTPAMDE-UHFFFAOYSA-N 338.451 3.836 0 50 EHAA CSCc1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)o1 824920079 CDTFQHRXRLLDMA-OAHLLOKOSA-N 347.436 3.953 0 50 EHAA O=C(c1conc1C1CCCC1)N1CCC[C@@H](C2CCOCC2)C1 886163372 LOKDMKFFWKOGER-MRXNPFEDSA-N 332.444 3.611 0 50 EHAA Cc1nc([C@H](C)N(C)C(=O)c2cccc3c2CCC3=O)c(C)s1 952986310 FHWWIVYXZAFMDQ-JTQLQIEISA-N 328.437 3.722 0 50 EHAA C[C@@H]1CCC[C@@H](OCc2nnc(-c3nnc(-c4ccccc4)o3)o2)C1 1328405583 ZJMHVIXPTZNASZ-TZMCWYRMSA-N 340.383 3.882 0 50 EHAA C[C@@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)CC[C@H]1O 1875270104 IKWCBOBSMQSZDR-ZWNOBZJWSA-N 349.887 3.554 0 50 EHAA CNC(=O)c1cccc(NC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C)c1 1875288453 DZPZLBVZLGJKNN-RHSMWYFYSA-N 343.471 3.869 0 50 EHAA Cc1cc(O)nc(C)c1NC(=O)Cc1c(C)[nH]c2ccc(F)cc12 1940198402 NXYCWJAMJRQGOU-UHFFFAOYSA-N 327.359 3.514 0 50 EHAA Cn1cncc1C1CCN(Cc2ccc(-c3ccsc3)nc2)CC1 2325775423 GIBYTYNRHKSULI-UHFFFAOYSA-N 338.480 3.923 0 50 EHAA Cc1ncccc1[C@@H](C)NCc1cn2cccc(Br)c2n1 2325792142 FOXIFDAKGSJRHW-GFCCVEGCSA-N 345.244 3.651 0 50 EHAA CCCc1ccc([C@H](C)NC[C@@H](CO)Cc2ccccc2C)nc1 2325842454 ZILXOMYIKISNDU-HKUYNNGSSA-N 326.484 3.844 0 50 EHAA CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCc2cc(C(=O)O)ccc2C1 2325880203 YKLFVBDKMQKSOW-BVGQSLNGSA-N 329.440 3.575 0 50 EHAA COCc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1 249658 KSDJEBVQGUWYGN-UHFFFAOYSA-N 325.393 3.604 0 50 EHAA CC(=O)c1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 331203 PZYFEBSXVDEDJF-UHFFFAOYSA-N 346.839 3.598 0 50 EHAA CCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(C)c1C 619292 PQFGAWSFIMVXBS-UHFFFAOYSA-N 325.474 3.655 0 50 EHAA Cc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1 2954384 IPZHIXOXKWVMGV-UHFFFAOYSA-N 346.184 3.782 0 50 EHAA COc1ccc(NC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 6698978 QVWUJVFMWRYXFW-LBPRGKRZSA-N 330.384 3.595 0 50 EHAA FC(F)(F)c1nc2nccc(-c3ccc(Br)cc3)n2n1 57530998 CNQVYKYXMBXGBA-UHFFFAOYSA-N 343.106 3.573 0 50 EHAA CCN(Cc1noc(C)n1)Cc1cnc(-c2ccccc2C)s1 65387169 SAKRUVLQJXZHPG-UHFFFAOYSA-N 328.441 3.832 0 50 EHAA CCc1nc(C2(NCc3cc(-c4ccccc4)[nH]n3)CCCC2)no1 135999154 JAIZCAKNDXGHOR-UHFFFAOYSA-N 337.427 3.581 0 50 EHAA Cc1cccnc1[C@H](C)NC(=O)Cc1csc(-c2ccccc2)n1 65404453 KKIWLOHDVSXJCE-AWEZNQCLSA-N 337.448 3.933 0 50 EHAA Cc1nnc(SCC(=O)N(C)[C@@H](C)c2ccc3ccccc3c2)o1 67713904 ZHIKRQSWJFPFNU-LBPRGKRZSA-N 341.436 3.843 0 50 EHAA Cc1cccc(C)c1C(=O)N1CCC=C(c2cn(C(C)C)nn2)CC1 328598548 MVXUOSOPODDRAA-UHFFFAOYSA-N 338.455 3.795 0 50 EHAA Cn1c([C@@H]2CCCN2Cc2noc3c2CCCC3)nc2c1CCCC2 328627419 GBYLPWKVQVSYIF-SFHVURJKSA-N 340.471 3.503 0 50 EHAA Cn1c([C@H]2CCCN2Cc2noc3c2CCCC3)nc2c1CCCC2 328627418 GBYLPWKVQVSYIF-GOSISDBHSA-N 340.471 3.503 0 50 EHAA O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccncc1)CC(O)=N2 71280054 XDBSAZIOYJXSGJ-AWEZNQCLSA-N 326.400 3.590 0 50 EHAA Cc1cc(C)n([C@@H](C)CNC(=O)c2cc3ccc(Cl)cc3n2C)n1 216254338 LJKZUQANOSCKLE-ZDUSSCGKSA-N 344.846 3.636 0 50 EHAA O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2ccn(C3CCCC3)n2)C1 340234143 CBMKOYCDERWUFI-APWZRJJASA-N 347.409 3.584 0 50 EHAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)Cc2c(F)cccc2F)C1 77378569 ZRVHKYOGIQUYDM-OAHLLOKOSA-N 343.373 3.629 0 50 EHAA CC[C@H](NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1)c1ccncc1 245312405 JAOHWIQVMQBHHY-QYZOEREBSA-N 339.439 3.610 0 50 EHAA CN1C(=O)CC[C@@H](c2nc(-c3ccsc3)no2)[C@H]1c1ccccc1 175436523 PSKBEEDJWFEDPN-GDBMZVCRSA-N 339.420 3.875 0 50 EHAA Cc1nc(C)c(C(=O)N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)o1 288094347 HPPLLDHPPKREMX-HZPDHXFCSA-N 328.412 3.610 0 50 EHAA c1cc(C2CCC2)ccc1CNC1CCN(C[C@H]2CCOC2)CC1 293708173 XQZXRVZJQLBXDC-GOSISDBHSA-N 328.500 3.545 0 50 EHAA COc1cccc(OC2CN(C(=O)Nc3ccc(C)c(C)c3)C2)c1 97425258 YWKXOPUPGRZDRI-UHFFFAOYSA-N 326.396 3.607 0 50 EHAA Cc1nc(CC(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)cs1 96153198 NOKZHSBMNZCQPM-ROUUACIJSA-N 344.480 3.638 0 50 EHAA CCC[C@@]1(C(=O)O)CCCN(Cc2ccc(C(F)(F)F)nc2)C1 91876497 PDHJIEBBAHLPET-OAHLLOKOSA-N 330.350 3.567 0 50 EHAA C[C@@H]1C[C@@H](C)CN(C(=O)CCCCC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 239090971 HNQLCWVJARYCJT-BRSBDYLESA-N 336.520 3.556 0 50 EHAA COc1ccc(-n2cccn2)c(CN2CCC[C@@H]2c2cc(C)no2)c1 97532567 LYMKGADMZOUSRN-GOSISDBHSA-N 338.411 3.514 0 50 EHAA CCCn1ncc(C(=O)NCc2ccc(C(F)(F)F)cc2F)c1C 91665201 WYDWARPEGVBQGJ-UHFFFAOYSA-N 343.324 3.689 0 50 EHAA Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4csnc4C)C3)nc2c1 182293273 LCJJZGANYMVBFI-CYBMUJFWSA-N 340.452 3.656 0 50 EHAA Cc1nc(C(C)(C)C)sc1C(=O)N(C)Cc1nccn1C(F)F 299425840 ZPRSCKHVVLJBPS-UHFFFAOYSA-N 342.415 3.613 0 50 EHAA Cc1oc(CN(C)C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)cc1C(=O)O 299753330 XVGNTKKUDHZOOB-LSDHHAIUSA-N 347.798 3.702 0 50 EHAA Cn1ccc(NC(=O)C[C@H](c2cccc3ccccc23)n2cccc2)n1 263588656 WTZNQCCVPVTOKP-LJQANCHMSA-N 344.418 3.993 0 50 EHAA Cc1oc(-c2ccccc2F)nc1CN(C)Cc1noc(C2CC2)n1 299758508 LWVZCENOVNEFJR-UHFFFAOYSA-N 342.374 3.682 0 50 EHAA O=C(Nc1ccc(NCc2ccnn2CC2CC2)nc1)c1ccccc1 656774667 YIBQYFHQOSZVTK-UHFFFAOYSA-N 347.422 3.553 0 50 EHAA CC1(C)C[C@H](C(=O)Nc2ccccc2CN2CCCCC2)CCO1 827763329 HHPHDNNIAWYTIQ-MRXNPFEDSA-N 330.472 3.816 0 50 EHAA O=C(CCc1cccnc1)NCC[C@H](c1ccccc1)c1ccco1 670455796 CGPUFKAHMNYCTC-LJQANCHMSA-N 334.419 3.946 0 50 EHAA Oc1cc(CN2CCO[C@H]3CCCC[C@@H]32)nc2c(Cl)cccc12 1565529588 SSXJFMVKUYVPQK-RDJZCZTQSA-N 332.831 3.737 0 50 EHAA OC[C@@H](N[C@H]1COC2(CCC2)C1)c1ccc(Cl)cc1C(F)(F)F 657999307 HEPKGFXHRPJADV-BXUZGUMPSA-N 349.780 3.693 0 50 EHAA O=C1OC(c2ccccc2)=N/C1=C/c1cccc(Br)c1 55310 LVBYPCCDULQAKE-GXDHUFHOSA-N 328.165 3.794 0 50 EHAA Cc1nc([C@H]2CC[C@@H]3CCC[C@@H]32)n(-c2cc(=O)n(C)c3ccccc23)n1 1857673291 NEAGVCDRRZVKIH-JYJNAYRXSA-N 348.450 3.721 0 50 EHAA C[C@H]1CCC[C@H](CNC(=O)N2CCC(Oc3ncccc3F)CC2)C1 333433666 NZYYUEPZNRVFAV-GJZGRUSLSA-N 349.450 3.600 0 50 EHAA O=C(Cc1cccc(C(F)F)c1)NCc1nccn1-c1ccccc1 338612782 VWUNIVCGFYHHKY-UHFFFAOYSA-N 341.361 3.669 0 50 EHAA Cc1cc(C(=O)NC(C)(C)c2c(C)noc2C)oc1Br 935963614 QXRULFMGTWIWCZ-UHFFFAOYSA-N 341.205 3.620 0 50 EHAA CC1CCC(O)(c2nc(Cc3c[nH]c4ccc(F)cc34)no2)CC1 952845676 NENUFVMGBFEPDB-UHFFFAOYSA-N 329.375 3.679 0 50 EHAA O=C(NCc1cccc(Cl)n1)c1cc(Oc2ccccc2)ccn1 1875260693 ASPKDHWJAQOEOZ-UHFFFAOYSA-N 339.782 3.852 0 50 EHAA CN1C(=O)C[C@@H](CNCc2cccc3ccccc23)[C@@H]1c1ccncc1 886056849 RNWAVXMVDZEVDH-UGKGYDQZSA-N 345.446 3.544 0 50 EHAA CC1(/C=C/C(=O)Nc2ccsc2Br)CCOCC1 888099602 SHVREMIXXLXUPZ-DUXPYHPUSA-N 330.247 3.822 0 50 EHAA CCOC(=O)[C@H]1CC2(CCC(O[Si](C)(C)C(C)(C)C)CC2)CN1 201747514 XAYBFASIKQZINL-SWKXRBFHSA-N 341.568 3.862 0 50 EHAA CC(C)Oc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(F)cc2)cc1 4581138 SOFQXERJWDXQTP-KRWDZBQOSA-N 345.370 3.559 0 50 EHAA N[C@H](Cc1ccc(C(F)F)cc1)C(=O)NC1CCC2(CCC2)CC1 2325787629 MCOUMCLWMITLCV-MRXNPFEDSA-N 336.426 3.723 0 50 EHAA COc1cc(OC)c2[nH]c(C(=O)N[C@H](C)C3CC4(CCC4)C3)cc2c1 2325822746 LZFIWSDDWLEJSS-GFCCVEGCSA-N 342.439 3.884 0 50 EHAA O=C(NCCC1=CCCCC1)C(=O)Nc1cccc(Cl)c1Cl 2339246 MONLCSHZULEHES-UHFFFAOYSA-N 341.238 3.939 0 50 EHAA O=C1N[C@]2(Nc3ccccc31)c1ccccc1C(=O)[C@@H]2c1ccccc1 2571263 SRDUOCKZHGTVPM-SIKLNZKXSA-N 340.382 3.675 0 50 EHAA Cc1c(CC(=O)O)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 4088129 DNRIWPCBIREDLI-UHFFFAOYSA-N 342.391 3.756 0 50 EHAA biogenic O=C(N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1cccnc1 4159899 FFZWMERUCJZCMT-ZDUSSCGKSA-N 345.613 3.587 0 50 EHAA CC1CCN(C(=O)c2ccccc2NC(=O)Cc2ccccc2)CC1 6703377 VTMFSMWIWCBHTJ-UHFFFAOYSA-N 336.435 3.740 0 50 EHAA Cc1ccccc1CN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)CC1 102950819 UCYSKLHQNBHXCM-XKGZKEIXSA-N 326.484 3.512 0 50 EHAA CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc(F)cc1Cl)C2 112670307 AQNVKFXFPWGRKC-UHFFFAOYSA-N 335.810 3.535 0 50 EHAA Fc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1 53536554 FDAJDIGYJZNBRG-QGZVFWFLSA-N 339.414 3.883 0 50 EHAA Cc1ccccc1-c1ncc(CN(C)Cc2[nH]nc3c2CCC3)s1 67515147 WYBVDYWYLAEESH-UHFFFAOYSA-N 338.480 3.962 0 50 EHAA O=C(CCN1CCCC[C@@H]1c1cn[nH]c1)Nc1ccccc1Cl 114203030 CGBQOAWQQGGPEZ-MRXNPFEDSA-N 332.835 3.619 0 50 EHAA Oc1cccc2ccc(CN3CCC[C@H](OCc4cccnc4)C3)nc12 67894845 FRPXPKHQWNOGOG-IBGZPJMESA-N 349.434 3.517 0 50 EHAA Cc1cc(C(=O)NCc2cccnc2Oc2ccccc2C)nc(C)n1 67878462 CBLYBHNZVCWPPW-UHFFFAOYSA-N 348.406 3.519 0 50 EHAA CC(C)c1cc([C@@H]2CCCN2C(=O)NCCc2ccccc2)on1 64667178 DBYUOSWFWDMIKR-KRWDZBQOSA-N 327.428 3.887 0 50 EHAA COc1ccc(OC)c(-c2nc(Cn3cc(C)nc3C)c(C)o2)c1 67805972 WWSQEAZKOJNCFH-UHFFFAOYSA-N 327.384 3.529 0 50 EHAA O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)N1CCCC1 36360397 HEGOHHLRZXFIFO-UHFFFAOYSA-N 334.419 3.843 0 50 EHAA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(Cl)c2)CC(=O)N1 4986923 YEKZYWPPGCSXFW-OAHLLOKOSA-N 333.815 3.703 0 50 EHAA CCCCN(Cc1ccco1)C(=O)c1c(C)cc(C)n(CC)c1=O 216439727 HMHYUBFDJORMBX-UHFFFAOYSA-N 330.428 3.521 0 50 EHAA NCC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 281940743 LFDLYQVPUWDAFU-CQSZACIVSA-N 344.405 3.833 0 50 EHAA C[C@@H](C1CCN(Cc2cc(CN3CCCC3)cs2)CC1)N(C)C 77437127 KAXOTIWINUVFIC-INIZCTEOSA-N 335.561 3.506 0 50 EHAA COc1ccccc1OC1CN(Cc2c(Cl)cncc2Cl)C1 72174644 VPKSCPUWVZQGLX-UHFFFAOYSA-N 339.222 3.660 0 50 EHAA CN(CC[C@H]1CCCCO1)C(=O)c1ccc(N2CCCCC2)cc1 216317676 ZDNUGFKRYDDURI-LJQANCHMSA-N 330.472 3.708 0 50 EHAA COc1ccc(F)c(F)c1-c1nccn1[C@H](C)Cn1nc(C)cc1C 71747898 VCZRMOMVIXMNSN-CYBMUJFWSA-N 346.381 3.911 0 50 EHAA CCCNc1ncc(CN2CCC(Oc3cccc(C)c3)CC2)cn1 72430584 ADNPJJQICHWKSU-UHFFFAOYSA-N 340.471 3.650 0 50 EHAA COc1cc(C)cc(NC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c1C 242167696 WYRUCNFSOBKAJF-MRXNPFEDSA-N 342.443 3.686 0 50 EHAA CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1cc(C)ccc1C 229973719 WXJDHIUYCWULNV-KJWYOANISA-N 325.408 3.711 0 50 EHAA COc1ccc2cc([C@H](C)NC(=O)N3CCC(OC)CC3)ccc2c1 426546055 CVTVAPZTKKBLAO-AWEZNQCLSA-N 342.439 3.730 0 50 EHAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(O)c(C)c2)C1 95520523 QHQKUXKKSBQERZ-KRWDZBQOSA-N 341.455 3.717 0 50 EHAA Cc1nc[nH]c1CSCCNC(=O)CC12CC3CC(CC(C3)C1)C2 91452239 CRCSANJXLALGDE-UHFFFAOYSA-N 347.528 3.674 0 50 EHAA c1ccc(-n2nc([C@@H]3CCOC3)nc2Cc2noc3ccccc23)cc1 97514941 GAIISPKSZVNWNE-CQSZACIVSA-N 346.390 3.503 0 50 EHAA O=C(Cc1ccsc1)N1CCC(c2nccn2CC2CCC2)CC1 91585591 DQZQOJJETMFPCZ-UHFFFAOYSA-N 343.496 3.693 0 50 EHAA C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)C[C@@H]1CCCC1(F)F 296096883 WXGBQQOAHDSVHR-AAEUAGOBSA-N 335.391 3.584 0 50 EHAA CC(=O)[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 257345648 FGDFFHLIMDMCJI-JREZKSJYSA-N 334.500 3.566 0 50 EHAA CCCCCn1cc(C(=O)N[C@H](C(=O)OC)C(C)C)c2ccccc21 299817350 XOVHYVWQBVNONJ-SFHVURJKSA-N 344.455 3.759 0 50 EHAA in-vitro C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 269944516 UONVWHJJCQEHCB-GXSJLCMTSA-N 335.753 3.734 0 50 EHAA CCN(C(=O)c1cc(NC(=O)NCC(F)F)ccc1Cl)C(C)C 278893819 JCFLQDKHCBCYDT-UHFFFAOYSA-N 347.793 3.597 0 50 EHAA COc1cc(F)cc(NC(=O)[C@@](C)(CC(=O)O)C2CCCCC2)c1 170663902 IUUXJAITWCWEHY-SFHVURJKSA-N 337.391 3.834 0 50 EHAA CCN(CC)CCSCC(=O)Nc1cnccc1-c1ccccc1 408516506 APBYVTTXACMSQJ-UHFFFAOYSA-N 343.496 3.762 0 50 EHAA Cc1n[nH]c(C)c1CC(=O)Nc1cc(Cc2ccccc2)ccc1O 187162912 CKIUPWKRYPAVHS-UHFFFAOYSA-N 335.407 3.504 0 50 EHAA COc1cc(C)c(NC(=O)N2CCC(c3ccncc3)CC2)cc1F 191937613 VCYDXUOTNFCNME-UHFFFAOYSA-N 343.402 3.949 0 50 EHAA CCc1ccccc1OCCN1CCC(c2ccnc(O)c2)CC1 1772817266 AKTITZZZXBMBMU-UHFFFAOYSA-N 326.440 3.608 0 50 EHAA COc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 12373461 WNIGYJOTATUTJH-OAQYLSRUSA-N 343.442 3.652 0 50 EHAA CCn1cc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c(C)n1 12759332 CAGJMSPGJVCJNG-INIZCTEOSA-N 345.874 3.960 0 50 EHAA CCOC(=O)c1cc(CC)sc1NC(=O)c1c(CC)noc1C 13326828 WHDAUBBACBWSTD-UHFFFAOYSA-N 336.413 3.598 0 50 EHAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2ccc(CO)o2)C1 19299831 LGQTUABIURCMID-AWEZNQCLSA-N 345.464 3.589 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)CSCC(=O)Nc1ccccc1 446274 XMICCDUWVBRCQD-UHFFFAOYSA-N 348.855 3.959 0 50 EHAA C[C@H](NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1cc2ccccc2o1 123814142 ZAHDBDUFQPASAB-PNPHSEOMSA-N 328.412 3.751 0 50 EHAA CC(C)CN(C(=O)N1CCC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1 1875353640 ARIUQJYKYXYPNC-OAHLLOKOSA-N 344.377 3.745 0 50 EHAA Cc1nnc([C@H]2CCCN(C(=O)C/C=C/c3ccc(F)cc3)[C@H]2C)o1 886084763 FVLYIRNQPVOFLW-WXVIGYHGSA-N 343.402 3.715 0 50 EHAA Cc1noc(C(C)C)c1C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1 890458875 LKQKHIYSVBROCR-UHFFFAOYSA-N 338.411 3.769 0 50 EHAA CC1(C)CC[C@]2(C[C@@H]2CNC(=O)/C=C/c2ccncn2)c2ccccc21 2325723195 FPPFCMDCMZSTDE-MPLMPLHSSA-N 347.462 3.635 0 50 EHAA CCc1c[nH]c(C)cc1=NC(=O)N[C@H](C)c1cccc2cnccc12 2325807701 NPPGSCLBZNAJHW-CQSZACIVSA-N 334.423 3.805 0 50 EHAA C[C@H](NC1=NC[C@H]2CC[C@@H](C)CN12)c1nc2c(s1)CCCCC2 2325863476 LHGAIVLZWNYKSO-HZSPNIEDSA-N 332.517 3.533 0 50 EHAA Cc1oc(-c2ccccc2)nc1C(=O)NCc1ccc(O)cc1Cl 2325864894 DACCALQKMKLCII-UHFFFAOYSA-N 342.782 3.939 0 50 EHAA COc1cccc(CNc2nc3ccc(NC(C)=O)cc3s2)c1 360653 JEQSAURBLMKFGF-UHFFFAOYSA-N 327.409 3.875 0 50 EHAA C[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 449343 JVYLBYDIKCJHHZ-GFCCVEGCSA-N 334.213 3.705 0 50 EHAA COc1cc(C=O)c(Br)cc1OCc1cccc(F)c1 454563 YADIIFQJFNDEKS-UHFFFAOYSA-N 339.160 3.988 0 50 EHAA Cc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1 470240 WYHSRPSWMFYLGN-UHFFFAOYSA-N 332.244 3.620 0 50 EHAA CC[C@@H](C)c1ccc(NC(=S)N2CCC3(CC2)OCCO3)cc1 609765 KOILSJJENAKWPM-CQSZACIVSA-N 334.485 3.736 0 50 EHAA CCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1OC 614893 BTMVXIUCRSPMKC-UHFFFAOYSA-N 343.423 3.811 0 50 EHAA Fc1ccccc1N1CCN(C(=S)c2ccc(Cl)cc2)CC1 616887 AYZJEEBEYTZUDC-UHFFFAOYSA-N 334.847 3.977 0 50 EHAA c1ccc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)cc1 3680517 UNIASJSFBDNNCL-UHFFFAOYSA-N 331.375 3.880 0 50 EHAA C[C@@H](NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1)c1ccccc1 3908195 HKYPGVLORCHTGR-GFCCVEGCSA-N 336.347 3.561 0 50 EHAA CC(C)CCC[C@H](C)NC(=O)CCCC(=O)OCC(F)(F)F 4819793 UAMOSLSHKSYLAI-LBPRGKRZSA-N 325.371 3.593 0 50 EHAA O=C(Nc1ccc(Br)cc1)C(=S)NC1CCCCC1 4827725 WLHNOBHJXMEYQE-UHFFFAOYSA-N 341.274 3.637 0 50 EHAA Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 4865782 LTBGRNHMIAPXEZ-UHFFFAOYSA-N 345.402 3.572 0 50 EHAA Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(C)C3=O 5561115 NMBYFZASVPUALW-INIZCTEOSA-N 339.778 3.930 0 50 EHAA COc1cc(OC)c(C(=O)Nc2ccc(Cl)cc2F)cc1OC 6388381 YROOQYICFPPOGV-UHFFFAOYSA-N 339.750 3.757 0 50 EHAA Cn1cc(Cl)c([C@H]2CCCCCN2C(=O)c2ccccc2F)n1 12119592 ZBZNZCRUOXGTFZ-OAHLLOKOSA-N 335.810 3.970 0 50 EHAA CCc1ccc(CN(C)Cc2nc(-c3cccc(Cl)c3)no2)nc1 12448305 JDUNCCGLDDENLF-UHFFFAOYSA-N 342.830 3.979 0 50 EHAA CCc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)s1 16603937 XLBJKKKQTDHSKV-UHFFFAOYSA-N 328.481 3.705 0 50 EHAA CC(C)c1cc(=O)[nH]c(-c2cccc(CN3CCCCCC3)c2)n1 19798872 ZYLZJBFDGQZYMK-UHFFFAOYSA-N 325.456 3.936 0 50 EHAA CCN1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 19939944 LBQWVRMSTVGYTG-IBGZPJMESA-N 340.492 3.684 0 50 EHAA Cc1cc(N2CCN(C(=O)c3cc(C)c(C)cc3C)CC2)cc(C)n1 20776508 HNSNLORNWNIAHZ-UHFFFAOYSA-N 337.467 3.586 0 50 EHAA Cc1noc(C)c1CN(C)C(=O)c1csc(Cc2ccccc2)n1 48164613 VWVBSYHIANKUNY-UHFFFAOYSA-N 341.436 3.611 0 50 EHAA CC[C@H](CO)N(Cc1cccc(-n2cccn2)c1)Cc1cccs1 55091032 VWWKYLCIWSMXSP-QGZVFWFLSA-N 341.480 3.707 0 50 EHAA COc1ccc(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c(OC)c1 64901431 KFIUYUYTOUUWMP-UHFFFAOYSA-N 338.407 3.732 0 50 EHAA CC(C)(CN1CCCC1)CN1CCN(Cc2ccc(Cl)cc2)CC1 72143190 AABNLXCJGUZJFC-UHFFFAOYSA-N 349.950 3.580 0 50 EHAA CN(Cc1ccc(F)cc1)C(=O)c1ccc(CCC(C)(C)O)cc1 72430237 HUSNBUPKOKDUIG-UHFFFAOYSA-N 329.415 3.801 0 50 EHAA O=C(c1ccc(Cn2ccnc2)o1)N1CCCCC[C@@H]1c1ccco1 76510455 KNQTYCZKLULYQC-MRXNPFEDSA-N 339.395 3.875 0 50 EHAA Cc1cc(C(=O)NCC2(Cn3cccn3)CC2)c2ccc(C)c(C)c2n1 77379677 VOKMFKPOZVKACA-UHFFFAOYSA-N 348.450 3.567 0 50 EHAA O=C1CC[C@@]2(CCCN(C3CCCC3)C2)CN1CCc1ccccc1 82087052 UTFSUKONGYKOPB-JOCHJYFZSA-N 340.511 3.876 0 50 EHAA O=C(c1cccnc1C[C@H]1COc2ccccc2C1)N1CCCCC1 91651221 XLJQDLIBRVYELI-INIZCTEOSA-N 336.435 3.502 0 50 EHAA CCCc1cc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)[nH]n1 91819525 BLVDDNDJRHOFBF-FQEVSTJZSA-N 348.450 3.893 0 50 EHAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 97610234 ZAVSKPOGPNWWLT-AWEZNQCLSA-N 335.407 3.750 0 50 EHAA FC(F)Oc1ccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 100716209 WNPYGICHRJEUIE-MRXNPFEDSA-N 340.333 3.936 0 50 EHAA COc1cccc(SCC(=O)N2CCCC[C@H]2c2nccs2)c1 115364804 SEAXELLSEUFFJS-HNNXBMFYSA-N 348.493 3.998 0 50 EHAA Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1ncc(-c2ccccc2)[nH]1 129234313 UYVKHYHCHDRXGX-MSOLQXFVSA-N 331.419 3.805 0 50 EHAA Cc1nnc([C@H](C)N2CCC[C@H](COc3ccccc3Cl)C2)o1 157042634 AMBUDGJKUAXCDO-JSGCOSHPSA-N 335.835 3.883 0 50 EHAA Cc1cc(C(=O)N(Cc2csc(Br)c2)C2CC2)no1 161949544 MXCTYTYXVURRNY-UHFFFAOYSA-N 341.230 3.612 0 50 EHAA CCN(C(=O)c1cnn(-c2ccncc2)c1C)c1ccc2[nH]ccc2c1 170088662 RQYZADQDGMLDLU-UHFFFAOYSA-N 345.406 3.724 0 50 EHAA Cc1cncc(C(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)c1 173874763 AFOUSSVOCSCIET-UHFFFAOYSA-N 334.379 3.878 0 50 EHAA CCN(CC)[C@H]1CCN(C(=O)c2sc3ccc(OC)cc3c2C)C1 174129869 JLLQZJJKYVWEPW-AWEZNQCLSA-N 346.496 3.775 0 50 EHAA CCc1nc(NC(=O)CN2CCCC[C@@H]2c2cccn2C)sc1C 175143130 JXHXPRGEMYEMLU-MRXNPFEDSA-N 346.500 3.518 0 50 EHAA CCc1ccnc(C(=O)N(Cc2ccc(O)cc2)Cc2ccco2)c1 180494495 IKNPTKYLQMUTPD-UHFFFAOYSA-N 336.391 3.785 0 50 EHAA O=C(Nc1ccncc1F)N1CC[C@H](Oc2ccccc2Cl)C1 184160252 SWZGRUUEMLROQH-NSHDSACASA-N 335.766 3.559 0 50 EHAA CCC[C@H]1CN(C(=O)Nc2cc(F)ccc2OCC2CC2)CCO1 191752985 OFIOSPDLUPSIDL-HNNXBMFYSA-N 336.407 3.647 0 50 EHAA COc1cccc2c1CC[C@@H](NCCc1ccc(-n3cccn3)cc1)C2 192438715 WEJBCJCQHOAHSL-LJQANCHMSA-N 347.462 3.571 0 50 EHAA Cn1cccc1[C@H]1CCCCCN1C(=O)[C@H]1CCCc2cccnc21 195374454 XHDKYBWLWXTESM-PKOBYXMFSA-N 337.467 3.984 0 50 EHAA c1ccc(CN(Cc2cc3ccccc3o2)[C@@H]2CCCNCC2)nc1 275648210 KKSQVIMKWAACRL-LJQANCHMSA-N 335.451 3.972 0 50 EHAA C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccnn1CC(F)F 279793151 IXEDTTWTYHJUQJ-UMVBOHGHSA-N 333.382 3.555 0 50 EHAA CCOc1ccc(C(=O)N(C)C[C@@H]2CCN(C)C2(C)C)cc1Cl 299793665 JZWICGVSOOKJQQ-AWEZNQCLSA-N 338.879 3.541 0 50 EHAA Cc1ccc(-c2noc([C@H]3C[C@]34CCOC4)n2)cc1N1CCCC1 329669806 MNKMGNDBLJMEEX-BEFAXECRSA-N 325.412 3.539 0 50 EHAA O=C(N[C@H]1CCCC12CCOCC2)N1CCCC[C@H]1c1nccs1 332708940 JWQXFJMFXDHIFI-GJZGRUSLSA-N 349.500 3.729 0 50 EHAA Cn1c(SC[C@]2(C)CC2(Cl)Cl)nnc1-c1cccnc1 408519695 RTJYBFITRHMQTA-LBPRGKRZSA-N 329.256 3.553 0 50 EHAA Cc1ccc(F)c(-c2ccc(C(=O)N3CC[C@H](N(C)C)C3)cc2)c1 426470761 AFTSYKNVTSLAKE-KRWDZBQOSA-N 326.415 3.577 0 50 EHAA CO[C@@H](CNC(=O)N(Cc1cccnc1)CC(C)C)c1cccs1 426486073 UAHFLQKGDZTVQY-INIZCTEOSA-N 347.484 3.698 0 50 EHAA O=C(NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1)N1CCCO1 460833566 UBVRFTCULRFIDM-UHFFFAOYSA-N 348.752 3.737 0 50 EHAA NC1CCN(C(=O)c2ccc(-c3cc(F)ccc3Cl)cc2)CC1 584889219 XPWRGAKKVXZRIR-UHFFFAOYSA-N 332.806 3.709 0 50 EHAA CCC[C@@H](NC(=O)N1CCC(c2ncon2)CC1)c1cccs1 584891260 GSJREAZCMWZVBX-CYBMUJFWSA-N 334.445 3.562 0 50 EHAA CCOc1ccc([C@@H](C)NC(=O)N(C)CCc2ccccn2)cc1F 584895048 OJEYOPOYRDRZAN-CQSZACIVSA-N 345.418 3.565 0 50 EHAA O=C(O)Cc1c(Cl)cccc1-c1cccc(CO[C@@H]2CCOC2)c1 657203780 YSNXBZXBHUBZLG-OAHLLOKOSA-N 346.810 3.940 0 50 EHAA NC(=O)c1cc2cc(Nc3cc(C4CC4)nc(C4CC4)n3)ccc2[nH]1 894862106 DDJKNLOMSKCHOA-UHFFFAOYSA-N 333.395 3.555 0 50 EHAA CC(C)n1cccc1C(=O)Nc1ccccc1OC[C@@H]1CCCO1 952986191 FRMITUIMNADYLW-HNNXBMFYSA-N 328.412 3.879 0 50 EHAA O=C1CC[C@H](NCc2ccc(-c3ccccc3)o2)CCN1CC1CC1 1506400952 AWLJOXBXGMRXOP-SFHVURJKSA-N 338.451 3.827 0 50 EHAA C[C@H](C(=O)NC1CCCCC1)N(C)Cc1cccc2cnccc12 1529158514 DOQZWGRCBWQUSQ-OAHLLOKOSA-N 325.456 3.504 0 50 EHAA Clc1ccccc1OCc1nnc2n1-c1ccccc1COC2 1772814644 LIGCTOSDZRGSIP-UHFFFAOYSA-N 327.771 3.530 0 50 EHAA CC(C)c1nc(C=Cc2ccnn2-c2ccccc2)ncc1C(=O)O 1857532222 JZJOJSXZPDRUJS-UHFFFAOYSA-N 334.379 3.654 0 50 EHAA C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccnc1)c1ccccc1 130295 GZBIULLANIWDFO-OAHLLOKOSA-N 345.402 3.825 0 50 EHAA O=S(=O)(c1ccccc1)N1CCS[C@@H]1c1ccc(Cl)cc1 194560 IUVJGHUBFWVJIL-OAHLLOKOSA-N 339.869 3.776 0 50 EHAA CCOC(=O)c1cccc(NC(=O)Oc2ccc3c(c2)CCC3)c1 399213 MNSRTPQEDRPYCS-UHFFFAOYSA-N 325.364 3.963 0 50 EHAA COc1ccc(OCCCC(=O)Nc2cc(OC)ccc2OC)cc1 1778197 FYZWBOXGAODIJI-UHFFFAOYSA-N 345.395 3.510 0 50 EHAA CCCN1CCC[C@@]2(CCCN2Cc2ccc3ccccc3n2)C1=O 2356138286 LCUSQSJTZJKDSZ-OAQYLSRUSA-N 337.467 3.602 0 50 EHAA COc1ccc(C)cc1NC(=O)Cc1ccc(Br)cc1 3410389 IURUKTHHGWCQRF-UHFFFAOYSA-N 334.213 3.947 0 50 EHAA COc1c(C)cccc1C(=O)Nc1ccc(Br)c(C)n1 4841045 JOOTXKUXOBWYNY-UHFFFAOYSA-N 335.201 3.722 0 50 EHAA COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1cccc(F)c1 4957029 TUQZDUVNIJLWCY-QUCCMNQESA-N 338.382 3.704 0 50 EHAA COc1ccc2nc(NC3=N[C@@H](c4ccccc4)CC=N3)nc(C)c2c1 6675507 LKNZQXYHVDXTQY-QGZVFWFLSA-N 345.406 3.931 0 50 EHAA CC[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 225759576 AGOJHLZNRXRQGA-JRGCBEDISA-N 336.479 3.817 0 50 EHAA CC[C@H](C)c1ccccc1OCC(=O)N1CCC(N2CCCC2)CC1 55119290 PSCFPHSUQYMRID-KRWDZBQOSA-N 344.499 3.666 0 50 EHAA Cc1ccsc1CN(Cc1nnc(-c2ccc(C)n2C)o1)C1CC1 65457306 CUZYWRGGUJXWQI-UHFFFAOYSA-N 342.468 3.918 0 50 EHAA COC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C)c2ccccc21 248041858 MDWJQIDHXRKAMM-GUDVDZBRSA-N 349.430 3.792 0 50 EHAA Cc1cc(N[C@@H](C)c2cn3ccsc3n2)nc(-c2cccnc2)n1 65494826 PURREZRSZUQWJP-LBPRGKRZSA-N 336.424 3.729 0 50 EHAA CCCO[C@@H]1CCCN(C2CCN(c3ccc(F)c(F)c3)CC2)C1 32541606 SCSJYCAIJHKQFO-QGZVFWFLSA-N 338.442 3.825 0 50 EHAA C[C@@H](C1CCN(Cc2cccc(OC(F)F)c2)CC1)N1CCCC1 72480586 RQRYBVCNPKFVHW-HNNXBMFYSA-N 338.442 3.984 0 50 EHAA Cc1nc([C@H](C)N2CCC[C@@H](COc3ccccc3Cl)C2)n[nH]1 331670833 OGUQACZGRBELDG-GXTWGEPZSA-N 334.851 3.619 0 50 EHAA Cc1ccc(C)c(-n2ncc(NC(=O)c3ccc4c(c3)CCO4)c2C)c1 151934033 QSEGRYQELQSRLT-UHFFFAOYSA-N 347.418 3.985 0 50 EHAA Cc1noc(CN2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 329833492 KSMABAMDXHYPOF-LBPRGKRZSA-N 342.226 3.728 0 50 EHAA O=C(CSCc1cccc(Cl)c1)Nc1nnc(-c2ccco2)o1 120616562 OTQCYGPUYSESOI-UHFFFAOYSA-N 349.799 3.855 0 50 EHAA CCCC1(CNC(=O)c2ccc(-c3nnc(S)o3)cc2)CCC1 127884193 DHLNSIVQRDXSGZ-UHFFFAOYSA-N 331.441 3.726 0 50 EHAA C[C@H]1Cc2cccc3c(=O)c(C(=O)NC4CCCCCCC4)cn1c23 33088947 KLSPXFFZRNDNHQ-AWEZNQCLSA-N 338.451 3.961 0 50 EHAA O=S(=O)(c1ccccn1)N1CC2(CCCCC2)[C@@H]1c1ccccc1 333887514 GDVUUNQULOEKFR-SFHVURJKSA-N 342.464 3.778 0 50 EHAA CCNc1ccnc(N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)n1 72458364 LHDUAGBPOOLITO-MRXNPFEDSA-N 345.878 3.638 0 50 EHAA Fc1ccc2nc([C@H]3CCCN3Cc3cccc4nonc34)[nH]c2c1 216472466 KSCSJEBTWSCOHG-MRXNPFEDSA-N 337.358 3.575 0 50 EHAA O=C1CCCN1CC[C@@H]1CCCCN1Cc1ccc(F)c(Cl)c1 77538189 OGULGTCNOMRSIM-HNNXBMFYSA-N 338.854 3.846 0 50 EHAA COC(=O)Nc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c1 241171085 KEAUFMZWANEZKY-GFCCVEGCSA-N 344.333 3.668 0 50 EHAA C[C@H]1CN(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)CCCO1 179518094 NEWWCDOKAQBQLJ-FZMZJTMJSA-N 348.340 3.640 0 50 EHAA Cc1nnc(CCNC(=O)c2ccc(-c3ccccc3Cl)o2)s1 91664537 BLQHHRUZPFTWMN-UHFFFAOYSA-N 347.827 3.732 0 50 EHAA O=C(/C=C/c1ccccc1)N1CCC[C@@H](c2nccn2CC2CC2)C1 95509845 FGLZRVLVERLSKA-GNISGLHKSA-N 335.451 3.713 0 50 EHAA Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)NC(C)(C)C)c1C 91663975 FGETUOGGTXEDAZ-INIZCTEOSA-N 340.471 3.964 0 50 EHAA O=C(Nc1cccc(CN2CCCC2)c1)c1cnc2c(c1)CCCC2 828199767 SAOPMMBTDBDKLK-UHFFFAOYSA-N 335.451 3.809 0 50 EHAA Cc1ccc(CN(CCCO)C(=O)C[C@@H](C)c2ccccc2)cc1 952983953 MJWIDTYXGNRZNC-GOSISDBHSA-N 325.452 3.900 0 50 EHAA COc1cccc(-c2nc(N3CC(C)(OC)C3)c3ccccc3n2)c1 1472732040 TULZXUCHFYQOHA-UHFFFAOYSA-N 335.407 3.531 0 50 EHAA C[C@@H](Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[C@@H]1CCOC1 272178240 FHWSMIDIWULZLY-UKRRQHHQSA-N 332.444 3.821 0 50 EHAA C[C@H](NC(=O)C[C@@H](C)N1CCCCC1=O)c1cccc2ccccc12 170607816 FOWYFUNLBLEFJX-CVEARBPZSA-N 338.451 3.808 0 50 EHAA CSCC[C@@H](NCc1ccc(-c2c(F)cccc2F)o1)C(=O)O 170612806 XIRXDPMAVLFBFB-CYBMUJFWSA-N 341.379 3.521 0 50 EHAA Cc1sc2nc(CN3CCCOc4ccccc43)nc(O)c2c1C 677764170 MYNLYZOTYDCZCC-UHFFFAOYSA-N 341.436 3.803 0 50 EHAA COc1cccc(-c2nnc(NC(=O)/C=C/c3ccccc3)s2)c1 184238 OKAYCIKCWBDWRA-ZHACJKMWSA-N 337.404 3.866 0 50 EHAA biogenic Brc1cccc(CN2CCC(N3CCCCC3)CC2)c1 4985650 CYENNPXAFDJUIP-UHFFFAOYSA-N 337.305 3.899 0 50 EHAA COc1ccc(C2(C(=O)Nc3ccncc3)CCCC2)cc1OC 5043016 RJQDIRCSJWBXOY-UHFFFAOYSA-N 326.396 3.549 0 50 EHAA Cc1nc(SCC(=O)NC2CCCC2)c2oc3ccccc3c2n1 5163775 DDEOIHBXUKSPNF-UHFFFAOYSA-N 341.436 3.835 0 50 EHAA CC(C)(C)OC(=O)N(Cc1ccccc1)Cn1nnc2ccccc21 5632430 VEMCFLZZQMXHNK-UHFFFAOYSA-N 338.411 3.826 0 50 EHAA COCC[C@@H]1CN(C(C)C)C(=O)C1(c1ccccc1)c1ccccc1 5640961 GPDFACRFUHVNRD-HXUWFJFHSA-N 337.463 3.876 0 50 EHAA O=C(CC1=CCCCC1)N1CC[C@@]2(CCCN(CC3CCC3)C2=O)C1 11754084 YHANXVIPXMBUJQ-NRFANRHFSA-N 344.499 3.518 0 50 EHAA Cc1cccnc1N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 12198934 QUFRQGMVVLRNAL-FQEVSTJZSA-N 336.483 3.524 0 50 EHAA COc1cc(OC)cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c1 15839620 RVXBEXYASSCWBB-FQEVSTJZSA-N 348.402 3.618 0 50 EHAA O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1ccc(F)c(Cl)c1 2549271 ZRKLJBIUTRBVTP-QHHAFSJGSA-N 333.746 3.902 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@@H](CCCc2ccccc2)[C@H]1C(=O)O 209933189 JJVIAYZDVHANGB-CVEARBPZSA-N 333.428 3.720 0 50 EHAA CCn1c(C)cc(=O)c2cc(C(=O)Nc3nc(C)c(C)s3)ccc21 12324457 ZGCDYZLMTWPPPE-UHFFFAOYSA-N 341.436 3.655 0 50 EHAA C[C@@H](CNC(=O)N[C@H]1CC[C@H](O)CC1)c1c(Cl)cccc1Cl 245527603 FVGWWVIWZACNKB-SRVKXCTJSA-N 345.270 3.700 0 50 EHAA Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cccc(C(N)=O)c2)cc1 133687345 BTAPNDUQQDTOJY-KXBFYZLASA-N 336.435 3.707 0 50 EHAA O=C(Nc1ccc(NC2CCOCC2)cc1)[C@H](O)CC1CCCCC1 252507433 WLPIKJLQDCQHSY-LJQANCHMSA-N 346.471 3.547 0 50 EHAA O=C(NCc1coc(-c2ccccc2)n1)NCc1cccc(F)c1F 1222033830 FSMBAYFSGXYKJY-UHFFFAOYSA-N 343.333 3.619 0 50 EHAA C[C@@H](NC[C@H]1CCc2cc(F)ccc21)c1nc(O)c2ccccc2n1 1875307377 CQIXPXKGZZCNHP-TZMCWYRMSA-N 337.398 3.855 0 50 EHAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1coc(C2CC2)n1 1875305113 HICWTKRGXMBULO-KOMQPUFPSA-N 326.396 3.672 0 50 EHAA O=C(Nc1ccnn1Cc1ccc(Cl)s1)c1ncoc1C1CC1 888255667 DBEMDJCSEVHWPT-UHFFFAOYSA-N 348.815 3.764 0 50 EHAA CC1(C)C[C@H](c2ccccc2)CN1C(=O)Nc1cnn2cccnc12 2325810493 NLBNXTFAUYHORK-HNNXBMFYSA-N 335.411 3.529 0 50 EHAA Clc1ccc(N2CC[C@@H](CNCc3ccnc4[nH]ccc34)C2)cc1 2325857310 WYVNDEHJEDLCFV-AWEZNQCLSA-N 340.858 3.832 0 50 EHAA CC(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C(C)(C)C)cc1)CC2=O 106536 RVHCEQWAIPYKLJ-CQSZACIVSA-N 337.423 3.645 0 50 EHAA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(F)c1 172998 XYKRBQHLDPZZBO-UHFFFAOYSA-N 326.371 3.704 0 50 EHAA COc1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)cc1OC 455198 SXAMNHNOVZQXKL-UHFFFAOYSA-N 330.771 3.998 0 50 EHAA Cc1cc(CNC(=O)COc2ccc3c(c2)CCC3)c2ccccc2n1 1426588 GHDKADGWOCYNSH-UHFFFAOYSA-N 346.430 3.727 0 50 EHAA COc1ccc2[nH]cc(CCNC(=O)c3ccc4ccccc4n3)c2c1 1431982 HMNUXMKXCBULFL-UHFFFAOYSA-N 345.402 3.697 0 50 EHAA O=C(Nc1ncn(Cc2ccccc2Cl)n1)c1ccccc1Cl 2794480 CMEJULADPSSJQY-UHFFFAOYSA-N 347.205 3.886 0 50 EHAA Cc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc32)c(C)c1 2841028 WSRJZHXLSUILDV-UHFFFAOYSA-N 344.208 3.795 0 50 EHAA CCSc1nnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1 5673890 WXKSOAAHECHGSU-UHFFFAOYSA-N 338.502 3.740 0 50 EHAA CN(C(=O)c1ccsc1)[C@H]1CCCN(CCCc2ccccc2)C1 12094210 HYZCHUGNAROATJ-IBGZPJMESA-N 342.508 3.917 0 50 EHAA COCC[C@H]1CCCCN1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 12305777 YVUHOZYOWQYEML-MRXNPFEDSA-N 347.434 3.615 0 50 EHAA COCc1ccc(CN2CCC[C@@H](C(=O)c3sccc3C)C2)o1 12314142 BEGRUZUZUIJRLW-CQSZACIVSA-N 333.453 3.891 0 50 EHAA O=C(NCCc1ccc(F)cc1)Nc1ccccc1Br 13745471 YMZJKINZSYTMJX-UHFFFAOYSA-N 337.192 3.952 0 50 EHAA CC[C@@H](C)c1ccc(OCCOCCN2C[C@H](C)O[C@H](C)C2)cc1 20167366 PCCPRLIMDXBZLG-KURKYZTESA-N 335.488 3.705 0 50 EHAA COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)cc(OC)c1 55031593 CTWZPBKQMGLUSB-UHFFFAOYSA-N 346.858 3.679 0 50 EHAA CCOc1ccc(CCCC(=O)N(C)[C@@H](C)c2ccncn2)cc1C 55152880 HRNVTQYHKTYTAL-INIZCTEOSA-N 341.455 3.726 0 50 EHAA Cc1nc(CN2CCC(c3cc(C(C)C)[nH]n3)CC2)c2ccccn12 67966747 YPORODIHHUXNKW-UHFFFAOYSA-N 337.471 3.869 0 50 EHAA CC(=O)N[C@H]1CCN(Cc2nc(-c3ccc4ccccc4c3)oc2C)C1 71748026 MPXUXARUDFTISI-IBGZPJMESA-N 349.434 3.514 0 50 EHAA CN1C[C@]2(CCCN(Cc3ccc4c(c3)Cc3ccccc3-4)C2)OC1=O 72423858 ONZSHHDWKZNZCE-QFIPXVFZSA-N 348.446 3.674 0 50 EHAA Cc1cc(C)nc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)n1 72436556 LVLIRAUYNIGWJQ-UHFFFAOYSA-N 330.395 3.644 0 50 EHAA CC(=O)c1ccc(C(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)s1 82091323 VHBHULXFOSDQQJ-OAHLLOKOSA-N 342.464 3.549 0 50 EHAA O=C(NCc1c(F)ccc(F)c1F)c1ccc([C@@H]2CCCO2)s1 97601004 LBBZPBUTTILVTO-LBPRGKRZSA-N 341.354 3.947 0 50 EHAA CCOc1cc(C)ccc1CNC(=O)N1CCCC[C@@H]1c1ncc[nH]1 129052898 VBVNJJWXLUAIFQ-MRXNPFEDSA-N 342.443 3.554 0 50 EHAA Cc1cc(C[C@@H](C)NC(=O)C2(c3cccs3)CCCCC2)n[nH]1 155838868 ICMFMZDEIYWHJA-CYBMUJFWSA-N 331.485 3.729 0 50 EHAA C[C@@H](NC(=O)[C@@](C)(N)C1CC1)c1ccc(Oc2ccccc2)c(F)c1 170681266 SSKFGYRUBWWYTQ-XCLFUZPHSA-N 342.414 3.923 0 50 EHAA C[C@H](NCc1ccncc1Cl)c1ccc(NC(=O)C2CC2)cc1 179774956 DHBYIIMHVQBPFY-LBPRGKRZSA-N 329.831 3.934 0 50 EHAA COc1cccc2[nH]cc(CCN[C@H](C)c3ccc4c(c3)OCO4)c12 181332257 PFFCCPZULRROIX-CYBMUJFWSA-N 338.407 3.799 0 50 EHAA CCCc1cnc(NCc2ccc(OCc3noc(C)n3)cc2)s1 185980171 REQNXLGAEAPSEM-UHFFFAOYSA-N 344.440 3.978 0 50 EHAA CCO[C@@H](CCNc1ccc2nnc(-c3ccsc3)n2n1)C(C)C 186119560 AWHHXDWJQZFVRB-AWEZNQCLSA-N 345.472 3.716 0 50 EHAA COc1ccc2nc(CN3CCC[C@H](N4CCCC4)CC3)sc2c1 187067031 RXDREEDNWRFCDM-HNNXBMFYSA-N 345.512 3.755 0 50 EHAA Cc1nnc(C[S@](=O)c2ccc(Cl)c(Cl)c2)n1C1CC1 194575596 RQZWIEHCJHMOGG-FQEVSTJZSA-N 330.240 3.536 0 50 EHAA Cc1ccc2[nH]c(CCNC(=O)c3ccc(Cl)cc3F)nc2c1C 222236296 BONXEHOJGVEZRZ-UHFFFAOYSA-N 345.805 3.945 0 50 EHAA CC(C)[C@H](C(=O)NCC1(c2ccc(F)cc2F)CC1)c1ccncc1 225749440 XGRGFQUBZDEGHU-SFHVURJKSA-N 344.405 3.947 0 50 EHAA Cc1cc2oc(=O)cc(CN(C)[C@H]3CCN(C)[C@@H](C)C3)c2cc1Cl 229820762 OVMFTOXSPVHTNF-ZFWWWQNUSA-N 348.874 3.669 0 50 EHAA COc1ccc([C@@H]2CCCN2CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 239654000 BMCHPPYMWVMZIL-FCEWJHQRSA-N 330.472 3.622 0 50 EHAA O=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1cc[nH]n1 263587926 MXGSHEKTYZHUGL-GOSISDBHSA-N 330.391 3.983 0 50 EHAA COC1(CNc2ccc(CN3CCC(C)CC3)cc2)CCOCC1 276972407 GCCNUGRMQOFREL-UHFFFAOYSA-N 332.488 3.526 0 50 EHAA CCc1ccc([C@@H]2CCCN(C(=O)CCc3ccc(O)nc3)C2)cc1 286654380 GOPDVGIJLLQJPM-LJQANCHMSA-N 338.451 3.688 0 50 EHAA CSCCN1CCC(NC(=O)Nc2ccc(Cl)c(C)c2)CC1 299771437 WYUDXOJQJNLCIQ-UHFFFAOYSA-N 341.908 3.597 0 50 EHAA CC(C)c1cnc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)s1 328625314 CYYJLARDSBGKKV-LPHOPBHVSA-N 344.528 3.786 0 50 EHAA O=C(Cc1cccnc1)N(Cc1ccccn1)c1ccc(Cl)cc1 346371112 GRWOTUGQBUEERQ-UHFFFAOYSA-N 337.810 3.906 0 50 EHAA CC(C)(C)n1cc(C(=O)N2CCCCc3c(Cl)cccc32)nn1 408355384 MHZCJTPNYWYBSC-UHFFFAOYSA-N 332.835 3.670 0 50 EHAA CSC[C@H]1CCCN(C(=O)NCc2ccccc2C(F)(F)F)C1 426428318 VMGXZKIVGSVFRB-LBPRGKRZSA-N 346.418 3.990 0 50 EHAA Cc1ccc(-c2c(C)sc3nc(Cn4cccn4)nc(O)c23)cc1 677413398 YYBSFPLEMFLODC-UHFFFAOYSA-N 336.420 3.926 0 50 EHAA C[C@@H](NCc1cc(F)c(F)c(F)c1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952966086 IBZGZWQLGYLZCP-NMSLGHFQSA-N 339.401 3.913 0 50 EHAA CC(C)c1ncc(CNCCCc2nc3ccc(Cl)cc3[nH]2)cn1 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Cc1ccc(OCCSc2ncccn2)c(Br)c1 2191213 KWJRSHZSULRJHE-UHFFFAOYSA-N 325.231 3.719 0 50 EHAA in-vitro CN(C)C(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1 2336912 XOCBOCVJYUQCKO-UHFFFAOYSA-N 327.771 3.759 0 50 EHAA CCOC(=O)c1cc(C(=O)c2cccs2)n2cc(C(C)=O)ccc12 2529484 OUCRVWYFSGTRHQ-UHFFFAOYSA-N 341.388 3.611 0 50 EHAA COc1cc(CNCc2cccc(Br)c2)cc(OC)c1 2738390 ODFPLNIQBISNKE-UHFFFAOYSA-N 336.229 3.756 0 50 EHAA Cc1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c2ccccc2n1 2746319 NEIMRIDUQDKQDY-OAHLLOKOSA-N 348.402 3.577 0 50 EHAA Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)s1 2855644 SAICIJRPLYAKEI-UHFFFAOYSA-N 334.253 3.884 0 50 EHAA CCO/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 3200255 YZDIATLXFRUMJE-KAMYIIQDSA-N 327.767 3.904 0 50 EHAA CCOC(=O)C(CCCCCOc1cccc(C)c1)C(=O)OCC 4949893 LDRYNRUTTHTDDW-UHFFFAOYSA-N 336.428 3.677 0 50 EHAA COc1ccc(-c2nnc(NC(=O)[C@H](C)c3ccccc3)s2)cc1 9879723 OSHSEKOUOFWZHX-GFCCVEGCSA-N 339.420 3.956 0 50 EHAA COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(Cc2ccncc2)C1 12319778 MGUGWRDRACUAMV-OAHLLOKOSA-N 344.842 3.839 0 50 EHAA CC(=O)c1cccc(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)c1 15952129 FHUSTLFVYWJVAY-LLVKDONJSA-N 326.352 3.501 0 50 EHAA Cc1ccccc1[C@H](Nc1ncnc2c1CCNC2)c1ccccc1 67675989 OUPJOHKULSBRNY-HXUWFJFHSA-N 330.435 3.632 0 50 EHAA OC[C@]1(Cc2ccc(F)cc2)CCCN(c2ccc(Cl)cn2)C1 67692738 VRWDRCPVIVIPRM-SFHVURJKSA-N 334.822 3.696 0 50 EHAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2n[nH]cc2Cl)C1 71416396 ZBXQKIFFQWIIIS-CQSZACIVSA-N 331.847 3.857 0 50 EHAA CC(C)Cn1cncc1CN1CCO[C@@H](c2ccc(Cl)cc2)C1 71764116 VCCXHFVYOYNSBZ-GOSISDBHSA-N 333.863 3.766 0 50 EHAA CCCn1ccnc1CN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 72131899 FCFJFXOFFFNCOC-MRXNPFEDSA-N 337.471 3.624 0 50 EHAA CCN(Cc1ccncc1)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 72156758 CFGVSNZRRZFLFQ-UHFFFAOYSA-N 348.450 3.606 0 50 EHAA COc1cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)ccc1O 77504209 WMQHAONHVSCHDG-MRXNPFEDSA-N 329.371 3.907 0 50 EHAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 77542248 HKLHXKZFYHYSPV-GOSISDBHSA-N 339.410 3.880 0 50 EHAA Cc1cccc2[nH]c([C@H]3CCCN3C(=O)c3cc(C(C)C)on3)nc12 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3.814 0 50 EHAA C[C@H](NC(=O)CCCc1nccs1)c1cccc(-n2ccnc2)c1 253404185 HOMUYRJWBDWQOB-AWEZNQCLSA-N 340.452 3.529 0 50 EHAA C[C@H](c1nc(O)c2ccccc2n1)N1CC[C@@]2(C1)OCc1ccccc12 253567395 QMMTXZZGOIVCHM-SZNDQCEHSA-N 347.418 3.528 0 50 EHAA Cc1ocnc1CNC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 280851331 KGIJLQCALPXGED-UHFFFAOYSA-N 347.846 3.900 0 50 EHAA Cc1ocnc1C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 281958390 KFHJYKDAKBKIDD-XYPYZODXSA-N 325.195 3.966 0 50 EHAA Cc1nc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)c(C)o1 293206306 ZUJTXSPAYZMCIJ-AWEZNQCLSA-N 348.830 3.876 0 50 EHAA CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@H]2C2CCCCC2)cn1 331915670 MGTUYVMHNSARAS-KRWDZBQOSA-N 344.459 3.641 0 50 EHAA CC(C)C[C@H](N)c1noc(-c2ccc(-c3nc(C4CC4)no3)cc2)n1 339387065 HBFBLFVAKKQLQR-AWEZNQCLSA-N 339.399 3.710 0 50 EHAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NC[C@H]1CCCC1(C)C 360857516 HNNLPXVUYQQZAM-CYBMUJFWSA-N 345.409 3.547 0 50 EHAA Cc1cc(CN(C)S(=O)(=O)c2cccc(Cl)c2)ccc1F 443904309 UGJXGJCKTSOKLB-UHFFFAOYSA-N 327.808 3.608 0 50 EHAA C[C@H](c1ccccc1)n1ccc(N[C@H]2CCN(c3ccccc3)C2=O)n1 675283515 HXEXPVSCVBFMLC-APWZRJJASA-N 346.434 3.710 0 50 EHAA Cc1nccn1Cc1ccccc1NC(=O)c1cc(CC(C)C)on1 821483365 NQFLUCKTMDFQCG-UHFFFAOYSA-N 338.411 3.679 0 50 EHAA COc1ccc(-n2nc(-c3ccco3)nc2[C@H]2CC[C@@H](O)CC2)cc1 824698932 OGWAJZSRLDGOBJ-OTVXOJSOSA-N 339.395 3.554 0 50 EHAA C[C@@]1(C2CC2)COCCN1C(=O)c1cc(Oc2ccccc2)ccn1 890585535 RDLGYCIHPVHKOY-FQEVSTJZSA-N 338.407 3.515 0 50 EHAA C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C[C@H]1CC(=O)O 910862690 HFFWJAMPSSDHSC-XEKGUZQTSA-N 337.419 3.513 0 50 EHAA CC[C@@H]1c2ccccc2CN1C(=O)Nc1c(C)nn(CCOC)c1C 930672746 PGIPRIWBPPKAOX-QGZVFWFLSA-N 342.443 3.645 0 50 EHAA Cc1nc(CC(=O)N2CCCC[C@H]2CCc2cccc(O)c2)cs1 952968218 PCFQRDBJKOVUHF-KRWDZBQOSA-N 344.480 3.714 0 50 EHAA Cc1nn(C)c(C)c1NC(=O)N[C@@H](Cc1ccccc1)c1ccccn1 1347695013 PCCUEBHFMDMYME-SFHVURJKSA-N 349.438 3.537 0 50 EHAA CN1CCN(Cc2cncn2C2CCCCC2)[C@H](c2ccccc2)C1 1506402429 YDCPPYBYLCEOAS-NRFANRHFSA-N 338.499 3.877 0 50 EHAA CC1=CC(C)(C)N2C(=O)[C@](O)([C@H]3CCCCCC3=O)c3cccc1c32 1740816870 YQSVFYREPRJDMI-BTYIYWSLSA-N 339.435 3.566 0 50 EHAA CCCOc1ccccc1-c1nnc(N[C@@H](C)CCn2cccn2)o1 1772705380 SIFUEJPVOSGCDN-AWEZNQCLSA-N 341.415 3.613 0 50 EHAA CC1CCC(C)(C(=O)N2CCc3cc(F)c(C(=O)O)cc3C2)CC1 1875294261 PPXXGHZBEOGGLC-UHFFFAOYSA-N 333.403 3.625 0 50 EHAA C=CC(=O)N(Cc1cccs1)C[C@@H]1CCN(c2ccccc2)C1 1875375824 JHJQPQULXDFHSK-MRXNPFEDSA-N 326.465 3.789 0 50 EHAA O=C(c1cc2c[nH]nc2s1)N1CC[C@H]2CC[C@]21c1cccs1 1875396674 QNMBYLZNDBYRBB-BDJLRTHQSA-N 329.450 3.837 0 50 EHAA Cc1nc([C@H]2CCCN2Cc2nnc(-c3ccc(F)cc3)o2)[nH]c1C 2325771758 NYWQJOBQZKUBOI-OAHLLOKOSA-N 341.390 3.553 0 50 EHAA COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(F)cc3)C2)cc1OC 110348 MBNSKEQYNSHMDI-QGZVFWFLSA-N 342.370 3.541 0 50 EHAA Nc1ccc(SCC(=O)Nc2ccc(Br)cc2)cc1 401156 PACVUCFBJXDJNI-UHFFFAOYSA-N 337.242 3.762 0 50 EHAA CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1Cl 609758 JNBGXVKVAPZUTA-UHFFFAOYSA-N 333.771 3.569 0 50 EHAA Cc1ccccc1Cn1cc(NC(=S)N2CCCCCC2)cn1 2799836 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O=C(c1cccc(-n2cccn2)c1)N1CC[C@H](Cc2ccccc2)C1 76506637 RBZYBGGNIYHSDH-GOSISDBHSA-N 331.419 3.577 0 50 EHAA CCOc1ccc([C@@H](C)NC(=O)CCCN2CCCCC2)cc1F 95352137 HYVWXDKWZBDECQ-OAHLLOKOSA-N 336.451 3.668 0 50 EHAA CC(=O)c1cnc(N[C@H]2CCCC[C@@H]2OCc2ccccc2)nc1C 95376956 WVTRAMKPMLTFNY-OALUTQOASA-N 339.439 3.928 0 50 EHAA Cc1cc(NC(=O)N(C)Cc2cnc3ccccc3c2)n(C(C)C)n1 96131323 KAARZWUKNOLFGS-UHFFFAOYSA-N 337.427 3.985 0 50 EHAA O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)C1(O)CCCCC1 175961200 URYWLQXDQGJYRK-UHFFFAOYSA-N 339.439 3.520 0 50 EHAA O=S(=O)(Nc1ncccc1Cl)c1cccc(C(F)(F)F)c1 180193851 XYYJPUXVKYYXQC-UHFFFAOYSA-N 336.722 3.555 0 50 EHAA O=C(NCc1ccc2ncccc2c1)c1ccccc1Br 193962074 MRAZALSJHXFSNC-UHFFFAOYSA-N 341.208 3.927 0 50 EHAA Cc1noc2ncnc(NCc3ccnc(OC4CCCCC4)c3)c12 195512106 VDCGNVJCSAESQQ-UHFFFAOYSA-N 339.399 3.645 0 50 EHAA COc1ccc(CN(C)[C@H](C)c2cccs2)cc1Cn1cncn1 219286587 OFTZEUXVNGXTOT-CQSZACIVSA-N 342.468 3.590 0 50 EHAA O=C(c1cccc(C(F)(F)F)c1)N1CCC2(CCOCC2)CC1 219906751 WLEUTXKEJUIAPG-UHFFFAOYSA-N 327.346 3.738 0 50 EHAA CC1(C)CC(NC(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC(C)(C)N1 222097845 KFTOILCJFBGEII-IAMHBRQHSA-N 335.536 3.810 0 50 EHAA C[C@@H](NC(=O)c1ccoc1)c1nc(-c2cccc(Cl)c2F)no1 225605235 LPWDHAFSLVVWPN-MRVPVSSYSA-N 335.722 3.613 0 50 EHAA Cc1nc(C2CC2)oc1C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 241774071 RMVHBQNYHFWIIT-MRXNPFEDSA-N 348.406 3.501 0 50 EHAA CC[C@H](NC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21)c1nc(C)cs1 246238830 SRSCVAHHHUZRJF-YYIAUSFCSA-N 341.480 3.930 0 50 EHAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCCc1ccc2c(c1)CC(=O)N2 246894819 LOXDUHIDQCMCRF-IDHHARJASA-N 340.467 3.684 0 50 EHAA Cn1c(COc2ccccc2)nnc1SCc1ccncc1Cl 252487231 HTGDEAUBUMCUMZ-UHFFFAOYSA-N 346.843 3.735 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)N1CCC2(CCO2)CC1 299764901 VZZVFRGRKWXXKW-UHFFFAOYSA-N 332.444 3.780 0 50 EHAA COC1CCN(C(=O)Nc2ccc(OCc3ccco3)cc2)CC1 299803057 VSHLHUXIDZFPRT-UHFFFAOYSA-N 330.384 3.501 0 50 EHAA Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1 374814263 LUARUFVQYYXZSD-ZNXRZULTSA-N 343.446 3.739 0 50 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O=C(O)[C@@H]1CC(=O)N(c2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1 1875253506 MFXAKPNQEWMZQD-CYBMUJFWSA-N 349.308 3.810 0 50 EHAA Cc1cn2nccc2c(NC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)n1 1875362010 LQQMDWUATWNYJN-LPHOPBHVSA-N 349.482 3.608 0 50 EHAA N[C@H]1CN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C2(CCCCC2)C1 1875394036 RYMATXGDRPWTJG-GUDVDZBRSA-N 326.484 3.833 0 50 EHAA CCC[C@H](NC(=O)c1nnc2ccccc2c1O)C1CCCCC1 2325727019 TVVLYXZQQQSNLY-HNNXBMFYSA-N 327.428 3.814 0 50 EHAA O=C(O)C[C@H]1CCN(Cc2cc3ncccc3s2)CCC1(F)F 2325788304 XEVPWHVBDHBBBU-LLVKDONJSA-N 340.395 3.618 0 50 EHAA Cc1cc2cc[nH]c2cc1NC(=O)c1cc2c(s1)CN(C)CC2 2325798154 QUAHYQSAKRMUIP-UHFFFAOYSA-N 325.437 3.778 0 50 EHAA CN(C(=O)CN1CC[C@@H](c2ccccc2)CCC1=O)C1CCCCC1 2356156538 GSDYVMTYQICGCH-SFHVURJKSA-N 342.483 3.574 0 50 EHAA CCCCn1nc(CC(C)C)c2c(N[C@@H]3C[C@@H]4CC[C@H]3O4)ncnc21 2356169377 ZUTHKFOQHZQLCZ-SQWLQELKSA-N 343.475 3.557 0 50 EHAA Cc1ccc(C(=O)N2N=C3CCCCC[C@@H]3[C@@]2(O)C(F)(F)F)cc1 78010 KOGWCOHMMGFNFU-XJKSGUPXSA-N 340.345 3.638 0 50 EHAA CC1=C(C(=O)OC2CCC(C)CC2)[C@@H](c2ccc(C)cc2)NC(=O)N1 191119 IXUSFIXDYADUET-PVCYVWKFSA-N 342.439 3.745 0 50 EHAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccn1 196256 NMORPZVMEXINEU-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA Cc1ccc2oc(=O)n(CCOc3ccc(Br)cc3)c2c1 386007 VUTXBMBQYKLAKM-UHFFFAOYSA-N 348.196 3.744 0 50 EHAA O=C(Nc1nnc(C(F)(F)F)s1)c1cc2c(s1)CCCC2 1054027 XMTIHCSNVONWMZ-UHFFFAOYSA-N 333.360 3.750 0 50 EHAA O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1cccs1 1059484 SKISRTSGTWSZJC-UHFFFAOYSA-N 330.434 3.535 0 50 EHAA CCOc1ccc2nc(NC(=O)c3ccccc3C(=O)O)sc2c1 4603998 LGQRAZRQFCLNDX-UHFFFAOYSA-N 342.376 3.646 0 50 EHAA CCOc1cccc(OCCCOc2ccc(C(=O)OC)cc2)c1 4702021 SXRKYSKSPJSTQN-UHFFFAOYSA-N 330.380 3.720 0 50 EHAA COc1ccc(OCCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 5043516 AKBKORLAHJVRDK-UHFFFAOYSA-N 343.467 3.797 0 50 EHAA CCCC(=O)/N=c1/[nH]c2ccc(NC(=O)c3cccs3)cc2s1 8744326 TVLJQCCSBYTPTR-UHFFFAOYSA-N 345.449 3.771 0 50 EHAA CC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(Cl)cc1 8778994 LIZNJWYWWZLUCB-GFCCVEGCSA-N 327.815 3.935 0 50 EHAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)cc1C 11821647 BPUIEKPAOWERJI-QGZVFWFLSA-N 327.428 3.625 0 50 EHAA O=C(CC[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1)N1CCCC1 12584684 NVAXIDBBESLKRZ-JUGMSXHOSA-N 344.474 3.954 0 50 EHAA CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 15066364 LQUNJYKGOUGBCA-KRWDZBQOSA-N 340.398 3.690 0 50 EHAA CCC[C@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccccc1 18007615 DCIRBJLVXMMCBR-NHYWBVRUSA-N 331.441 3.962 0 50 EHAA COC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccc(F)cc3)nc21 20615149 WOFKJCLDZLLHGQ-UHFFFAOYSA-N 349.312 3.656 0 50 EHAA Cc1noc(C)c1[C@H]1CCCN1C(=O)Cc1c(F)cccc1Cl 33086789 NVEHJPUKPQYAHF-OAHLLOKOSA-N 336.794 3.990 0 50 EHAA Cc1cc(Nc2ccc(NC(=O)C(C)C)cc2)nc(N2CCCC2)n1 65362633 AIRDBCUYYPFANP-UHFFFAOYSA-N 339.443 3.723 0 50 EHAA CSc1ccc(-c2nc(CN3C[C@@H](C)NC[C@@H]3C)c(C)o2)cc1 67804706 RZINQZSNJXUIRA-OLZOCXBDSA-N 331.485 3.554 0 50 EHAA COc1ccc2cc([C@@H]3CN(c4nccs4)CCO3)ccc2c1 71747572 ALERVHDKJMFTBX-KRWDZBQOSA-N 326.421 3.883 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)N[C@@H](C)Cc3cncs3)c2c1 77541210 GLXSYJRGIQFJTH-ZDUSSCGKSA-N 339.464 3.978 0 50 EHAA COc1c(F)cc(-c2nccn2Cc2cncn2C2CC2)cc1Cl 82092110 NOYOECBDETXPSM-UHFFFAOYSA-N 346.793 3.931 0 50 EHAA O=C(O)c1c(-c2ccc(Br)cc2)noc1C(F)(F)F 86033161 ITXIEESFOXYALY-UHFFFAOYSA-N 336.063 3.821 0 50 EHAA in-vitro CSc1ccccc1C(=O)N1CCC[C@H]1c1nc(C2CC2)no1 90681478 ZWPRKGONXNTQNE-ZDUSSCGKSA-N 329.425 3.646 0 50 EHAA Cc1ccc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1 95364285 DGEOPWOCBPTQMV-YTFSRNRJSA-N 348.490 3.763 0 50 EHAA COCc1cc(N2CCC[C@H](c3nc4ccccc4s3)C2)ncn1 95382330 ZORJXUAAWOVZSJ-ZDUSSCGKSA-N 340.452 3.617 0 50 EHAA COC(=O)c1ccc(NC(=O)N2C[C@H]3CC=CC[C@H]3C2)c(Cl)c1 95529640 RSQFUSOUTWQFNV-BETUJISGSA-N 334.803 3.557 0 50 EHAA C[C@H](C(=O)NC[C@H](O)c1ccc2ccccc2c1)c1ccccc1F 109689684 VOGKESQXLSIOLM-XOBRGWDASA-N 337.394 3.932 0 50 EHAA CCOc1cc(F)ccc1NC(=O)c1cccc(-n2cccn2)c1 116630329 MEHYRIVGXRHBSE-UHFFFAOYSA-N 325.343 3.662 0 50 EHAA 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CC(C)C(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1 9231717 OXPLQVADWOQLMR-AWEZNQCLSA-N 326.396 3.687 0 50 EHAA O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccccc2F)CC1 9341195 OAVJHMAVWPBMJH-UHFFFAOYSA-N 346.446 3.517 0 50 EHAA O=C(c1cccs1)N1CCC[C@@](CO)(CCc2ccccc2)C1 11814501 MBVOVTXWXVUSDI-LJQANCHMSA-N 329.465 3.596 0 50 EHAA CCn1cc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cn1 11841462 DOTUHSJRYLIXSZ-INIZCTEOSA-N 331.847 3.651 0 50 EHAA OC[C@]1(Cc2ccc(F)cc2F)CCCN(Cc2ccccc2)C1 11874732 GKRRTMNIFDTWEW-FQEVSTJZSA-N 331.406 3.782 0 50 EHAA CC(C)(C)C(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 12381288 QIINTHPVHGOILX-UHFFFAOYSA-N 329.271 3.684 0 50 EHAA Cc1cnc(CNC(=O)C[C@H](c2ccccc2)c2ccccc2C)cn1 12595002 QWOCLDNALRZMCP-OAQYLSRUSA-N 345.446 3.932 0 50 EHAA Cc1ccc2c(ccn2CCC(=O)Nc2nnc(C3CC3)s2)c1 40267125 GXKLLQISYJTEMK-UHFFFAOYSA-N 326.425 3.707 0 50 EHAA O=C(O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 45895553 BGXXEKUQVJLQMB-KRWDZBQOSA-N 327.424 3.956 0 50 EHAA CC[C@@H](C)[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)C(=O)O 62742116 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COc1ccc(O)cc1CN1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1875244912 AGKGRVMEJFDWGT-RTWAWAEBSA-N 341.451 3.999 0 50 EHAA Cc1nc(-c2cccs2)ccc1C(=O)N[C@H]1CCc2ncccc2C1 1875287700 VSWPVQQMRLLDER-HNNXBMFYSA-N 349.459 3.801 0 50 EHAA NC[C@@H](O)COc1ccc(-c2ccc3oc4ccccc4c3c2)cc1 1875309619 FPYDYAJIBUZCTF-MRXNPFEDSA-N 333.387 3.951 0 50 EHAA COc1ccc(/C=C/C(=O)N2CCC(C)CC2)cc1Br 117977 RAMHMPYGLDJXDQ-GQCTYLIASA-N 338.245 3.729 0 50 EHAA O=C(Nc1ccc(F)c(Cl)c1)c1cncc(Br)c1 255975 JSLLGAADXOHBBG-UHFFFAOYSA-N 329.556 3.889 0 50 EHAA CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)OC)c2)cc1 302302 XIPJXTSEOXGEKU-FMIVXFBMSA-N 325.364 3.524 0 50 EHAA C[C@H](O)c1c(OCc2ccccc2)ncnc1OCc1ccccc1 434330 GPFODBUBOBYKBV-HNNXBMFYSA-N 336.391 3.688 0 50 EHAA COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)NC3=O)c1 1404791 GIZVXUQJFABJHZ-OAHLLOKOSA-N 339.782 3.572 0 50 EHAA Cc1ccc(-n2c(N)c(C(=O)N3CCCCC3)sc2=S)cc1 2828758 BFXQLVOIGMTRRF-UHFFFAOYSA-N 333.482 3.785 0 50 EHAA O=C(COc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl 6128715 AJVWKNJSDRLETH-UHFFFAOYSA-N 340.162 3.740 0 50 EHAA Cc1cccc(C(=O)/N=c2\c(C)cccn2C(=O)c2cccc(C)c2)c1 6860270 WPQBJYHYDMKZHD-BSYVCWPDSA-N 344.414 3.843 0 50 EHAA Cn1ccc([C@H]2CCCCCN2C(=O)Cc2c(F)cccc2Cl)n1 12119527 WOBUVRJPORQDDG-QGZVFWFLSA-N 349.837 3.899 0 50 EHAA COc1ccc(C(=O)[C@@H]2CCCN(C3CCCCC3)C2)c(OC)c1 12373098 JIJVKJSSDXXYSA-OAHLLOKOSA-N 331.456 3.931 0 50 EHAA CC(C)(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 12381325 UJJJUWGCLMWZPE-CABCVRRESA-N 346.427 3.501 0 50 EHAA O=C(c1ccco1)N(Cc1cccc(OC[C@H]2CCCO2)c1)C1CC1 15068255 HWSNSWWCKBEQCU-GOSISDBHSA-N 341.407 3.642 0 50 EHAA CCCC(=O)Nc1cccc(C(=O)N2CCC[C@@H](CCCOC)C2)c1 55384946 BFDAJBIUTBOJRW-INIZCTEOSA-N 346.471 3.704 0 50 EHAA Cc1nnsc1CNC(=O)c1cccc(-c2cccc(F)c2)c1 65409746 JLJZOMSYVTWKOZ-UHFFFAOYSA-N 327.384 3.583 0 50 EHAA CCN(Cc1ccccc1)C(=O)CCN1CCC[C@H]1c1ccccn1 65455827 BSHLAEORTRDTCQ-FQEVSTJZSA-N 337.467 3.657 0 50 EHAA CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccnc3ccccc23)C1 67774932 XPIVWXSNDYHNMR-INIZCTEOSA-N 339.483 3.609 0 50 EHAA Fc1ccc(CCNc2nc(-c3ccccc3)nc3c2CCNC3)cc1 72165325 ORQLALDOFPICKE-UHFFFAOYSA-N 348.425 3.583 0 50 EHAA COCCC[C@H]1CCCCN1C(=O)c1cccc(CCC(C)(C)O)c1 72480045 STWKOWYVSKJOIX-LJQANCHMSA-N 347.499 3.811 0 50 EHAA Cc1ccc2nc([C@H]3CCCN3C(=O)CSCC3CC3)[nH]c2c1 77322696 OGYAPCASBMXWBV-MRXNPFEDSA-N 329.469 3.678 0 50 EHAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3nc(C)oc3C)C2)cc1 77503525 ZDWHMADFIOEKST-MRXNPFEDSA-N 328.412 3.531 0 50 EHAA CCCc1oncc1C(=O)N1CCC[C@H](COc2ccc(C)cc2)C1 82097453 ROQJLAAKXGZEGX-INIZCTEOSA-N 342.439 3.867 0 50 EHAA CC[C@]1(C(=O)O)CCCN(C(=O)c2cccc(-c3ccc(C)o3)c2)C1 91326991 NVMVJWNJXJQVKT-FQEVSTJZSA-N 341.407 3.972 0 50 EHAA COc1ccccc1[C@@H]1C=C(c2ccccc2Cl)Nc2ncnn21 100771165 OAYZATLOZZHQEV-INIZCTEOSA-N 338.798 3.996 0 50 EHAA O=C1[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccccc2)cc1 101703248 HOGVSPRDEKLFAH-FVCZOJIISA-N 347.414 3.801 0 50 EHAA CC(C)N(CCc1nccs1)C(=O)c1csc(C(F)(F)F)n1 170607626 GQCAJAQUMOMHEN-UHFFFAOYSA-N 349.403 3.712 0 50 EHAA Cc1nc2ccccc2n1CC(=O)Nc1cc(Cl)cc2c1OCC2 184342976 FCXOWTOEAUUVJF-UHFFFAOYSA-N 341.798 3.572 0 50 EHAA COc1cc(Cl)ccc1CNCc1ccc(N(C)C(C)C)nc1 190985515 BWVPMVUQMBCKLP-UHFFFAOYSA-N 333.863 3.878 0 50 EHAA Cc1ccc(C(=O)N2CC[C@H](c3sccc3C)[C@@H](O)C2)cc1C 210181909 MXGDHVCQDAQBOF-IRXDYDNUSA-N 329.465 3.664 0 50 EHAA COC[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2OC(C)C)C1 215954222 ORORABRNULBQAH-AWEZNQCLSA-N 341.879 3.994 0 50 EHAA COc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1C1CC1 225621554 GZBPBYOFRYKSJL-QRQLOZEOSA-N 343.467 3.728 0 50 EHAA COC[C@H](N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1 241869049 STYWTTLZSQMTHS-IKGGRYGDSA-N 341.904 3.672 0 50 EHAA O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cncc(Br)c1 241897216 TWPCBXVMDDVSDE-SLEUVZQESA-N 337.261 3.933 0 50 EHAA Cc1c[nH]nc1C1CCN(CCC(=O)Nc2ccccc2Cl)CC1 244872919 WGXFWJMWXQGZFH-UHFFFAOYSA-N 346.862 3.580 0 50 EHAA Cc1cccc2cc(CO)c(C[C@@H]3CC(=O)N(c4ccccc4)C3)nc12 252489263 JNFLRQRVPUULBV-MRXNPFEDSA-N 346.430 3.631 0 50 EHAA CCn1ccc(-c2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)n1 299756432 IESCCGIQVOEYMI-JQHSSLGASA-N 349.438 3.646 0 50 EHAA Cc1cc(CC(=O)N2CCC(Sc3ccccc3C)CC2)on1 299758216 POVZHZDKGLBMJZ-UHFFFAOYSA-N 330.453 3.617 0 50 EHAA CCCn1ccnc1CNC(=O)Nc1cccc(C(F)(F)F)c1 299769204 LVNUBNFVTBRSJW-UHFFFAOYSA-N 326.322 3.634 0 50 EHAA CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C(/C)C[C@H](C)[C@@H]1OC(=O)[C@H]1C 299888760 WOISDAHQBUYEAF-OLLZJPQYSA-N 338.488 3.769 0 50 EHAA O=C(c1ccnc(O)c1)N1CCC[C@@H]1C[C@@H]1CCCc2ccccc21 328588977 VXQZPCPJBBXROW-FUHWJXTLSA-N 336.435 3.902 0 50 EHAA C[C@H](O)C[C@H]1CCCN1C(=O)Nc1nc2c(s1)CCCC2(C)C 331806280 WMVGICKTULLOBO-NWDGAFQWSA-N 337.489 3.524 0 50 EHAA CC1(C)CN(C(=O)c2cn(-c3ccccc3)nn2)[C@@H]1c1cccs1 359915712 LXIMPZAWBKZCJP-MRXNPFEDSA-N 338.436 3.552 0 50 EHAA Cc1nc(CC(=O)Nc2ccc(OC[C@H]3CCCCO3)cc2)cs1 827855234 FAUZRZUSKCXBEQ-QGZVFWFLSA-N 346.452 3.581 0 50 EHAA CC1=C(c2ccccc2)[C@H]1C(=O)NCCC(=O)Nc1ccc(C)cc1C 828055665 KZFFLTWHJVKVCW-NRFANRHFSA-N 348.446 3.852 0 50 EHAA CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1scnc1-c1ccc(F)cc1 886041409 RDJQLDXPSUXAPC-DZGCQCFKSA-N 334.416 3.949 0 50 EHAA C[C@H](c1ccccc1)N(C(=O)c1c2c(nn1C)CCC2)c1ccccn1 906112354 OYOVWLLCOLFKNY-OAHLLOKOSA-N 346.434 3.712 0 50 EHAA Cc1cc(C(=O)N2CC(C)(C)Oc3ccc(C(F)(F)F)cc32)no1 906239232 SGMGHMUVLDUZAG-UHFFFAOYSA-N 340.301 3.820 0 50 EHAA CCOc1ccc([C@@H](C)Nc2cc(C(=O)N3CCCC3)ccn2)cc1 1161977445 PLVFWFACIYJCAX-OAHLLOKOSA-N 339.439 3.889 0 50 EHAA CCc1ccc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccccn2)C3)cc1 1565508055 JORZKPWMBPKYPP-IRLDBZIGSA-N 335.495 3.740 0 50 EHAA CCc1cccc(C)c1NC(=O)N1C[C@H]2CCC[C@](O)(CC)[C@H]2C1 1704345185 WWHSIGARBTVRJD-FUHIMQAGSA-N 330.472 3.962 0 50 EHAA CC(=O)c1ccc(N2CCOCC2)c(-c2cc(Cl)c(O)cc2F)c1 1772711836 GGOOXGAEVXWAGR-UHFFFAOYSA-N 349.789 3.891 0 50 EHAA Cn1ccc(C2CCN(Cc3cc(F)ccc3Cl)CC2)cc1=O 1772804793 UXFNUKREUZTABZ-UHFFFAOYSA-N 334.822 3.557 0 50 EHAA Cc1cc2cc(C(=O)N3CCC[C@]4(CCc5c[nH]nc54)C3)ccc2o1 1775979802 ZBSBIPUHCHYHSS-FQEVSTJZSA-N 335.407 3.585 0 50 EHAA Cc1cc(N2C[C@H]3C[C@H](O)C[C@H]3C2)c2ccc(C(F)(F)F)cc2n1 1857687945 MLLWQTCRWGNOPE-IMRBUKKESA-N 336.357 3.769 0 50 EHAA Cn1ccnc1[C@H](C1CC1)n1ccnc1-c1ccc2cccnc2c1 1857693125 IZYVNSDOESWJRI-SFHVURJKSA-N 329.407 3.831 0 50 EHAA CC1(C)CC[C@H](F)[C@H]1NC[C@H](O)COc1ccc(C(F)(F)F)cc1 1875354033 OUZMXLYPMVRZIR-AEGPPILISA-N 349.368 3.561 0 50 EHAA Cc1c(C(=O)NC2C[C@@H]3CSC[C@H]3C2)cc(Cl)nc1Cl 1875371237 URQJPUSUMWTSEB-RKDXNWHRSA-N 331.268 3.568 0 50 EHAA NC[C@]12CCCC[C@@H]1CN(C(=O)c1cc(Cl)cc(Cl)c1)C2 2325774899 DNOXVPLMUWBMQC-WBMJQRKESA-N 327.255 3.585 0 50 EHAA COc1ccc(NC(=O)COc2ccc(Cl)cc2C)c(OC)c1 435938 BVNMIWYXUKCYSC-UHFFFAOYSA-N 335.787 3.683 0 50 EHAA Cc1ccc(C(=O)[C@H](OC(=O)c2cnccn2)c2ccccc2)cc1C 460839 NOEFYEQSZJCHKO-HXUWFJFHSA-N 346.386 3.874 0 50 EHAA Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1 514552 TUWUFCDSEPSWML-UHFFFAOYSA-N 328.843 3.919 0 50 EHAA CC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc3c(c2)OCO3)c1 611664 RJSMGEZUKGSCNO-NSHDSACASA-N 342.420 3.666 0 50 EHAA CCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccccc1 1052954 ZHLZUCCAFTVJGD-UHFFFAOYSA-N 346.383 3.745 0 50 EHAA O=C1[C@H]2CS[C@@H](c3ccc(F)cc3)N2C(=S)N1c1ccccc1 1428611 HIVROSNAOLQSRB-ZBFHGGJFSA-N 344.436 3.573 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 1598712 HBZNLTGGGCUOMY-UHFFFAOYSA-N 326.215 3.558 0 50 EHAA COc1cccc(OC)c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F 2739909 XSOALEBFNZNJEY-UHFFFAOYSA-N 347.239 3.652 0 50 EHAA CCn1ncc([C@H](C)NC(=O)c2cc(-c3ccc(C)cc3)on2)c1C 2800746 FIVYUYNSTDVLHR-ZDUSSCGKSA-N 338.411 3.666 0 50 EHAA CCCCC(=O)N1CCN(c2cc(C)c(C(=O)CCC)cc2F)CC1 2843492 IDYQCTRAPIONQU-UHFFFAOYSA-N 348.462 3.956 0 50 EHAA CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 4113620 DRDGYVVWTKGCBU-ZDUSSCGKSA-N 343.210 3.575 0 50 EHAA Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)c(OC(F)F)c1 4804032 QXTJJSPWCFIZKA-UHFFFAOYSA-N 335.306 3.620 0 50 EHAA O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(S)oc2c1 5556417 CLCSMCQRGWEMEU-UHFFFAOYSA-N 340.813 3.571 0 50 EHAA CCCOc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 9780139 OPSSBOZNACONIY-UHFFFAOYSA-N 345.395 3.754 0 50 EHAA Cc1sc2nc(SCC(=O)c3ccccc3)[nH]c(=O)c2c1C 15822445 QQRBMFPACSIQLI-UHFFFAOYSA-N 330.434 3.576 0 50 EHAA CCOc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 19880272 ZLRIKJMGXXQLFB-UHFFFAOYSA-N 349.478 3.884 0 50 EHAA biogenic CCOC(=O)[C@@H]1CCCCN1Cc1ccc(OC)c2ccccc12 23281663 YETLUUUKLKHNTJ-SFHVURJKSA-N 327.424 3.766 0 50 EHAA Cc1ccccc1Cc1nnc(NC(=O)N(C)Cc2ccco2)s1 32561083 AWHFKXLLSGMHGF-UHFFFAOYSA-N 342.424 3.694 0 50 EHAA CCCN(CCC)Cc1ccc(C(=O)NCc2ccncc2)cc1 55307100 LGALWRXISLGWGX-UHFFFAOYSA-N 325.456 3.634 0 50 EHAA COCCC(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 65382331 SQDUNBVDTZUQIG-OAHLLOKOSA-N 343.389 3.913 0 50 EHAA CN1CCC[C@H](CCC(=O)N(C)Cc2cc3ccccc3s2)C1 65508999 VGMSVGKAZBSKOT-OAHLLOKOSA-N 330.497 3.982 0 50 EHAA O=C1CCC2(CCN1)CCN(Cc1ccc(-c3ccccn3)cc1)CC2 67674818 IVSCKTKVXKHRSJ-UHFFFAOYSA-N 349.478 3.631 0 50 EHAA O=C(NC[C@H]1CCN(Cc2ccco2)C1)Nc1ccccc1Cl 67908685 OPKUCQVBDJHOEU-CYBMUJFWSA-N 333.819 3.577 0 50 EHAA CN1CCC(N(Cc2cccnc2)Cc2ccc3occc3c2)CC1 72135251 XVYAWBAMYIGGLU-UHFFFAOYSA-N 335.451 3.924 0 50 EHAA Clc1ccc2c(c1)CN(C[C@@H]1CCCN3CCCC[C@H]13)CCO2 72167884 BJJNWSHYPQMXIP-MAUKXSAKSA-N 334.891 3.799 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@@H]2c2nccs2)c1 72423975 SOLQLTCLGDXFAG-MRXNPFEDSA-N 344.480 3.824 0 50 EHAA CCCc1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)o1 77302479 MZKVXLHTGHQQOJ-FQEVSTJZSA-N 330.472 3.599 0 50 EHAA CN(CCCCCO)CCOc1ccccc1Cc1ccccc1 96026614 LXSDRITVQNOVBJ-UHFFFAOYSA-N 327.468 3.751 0 50 EHAA O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(Br)cc1Cl 101060652 DSYRGAJLKKKQSJ-NXEZZACHSA-N 340.604 3.558 0 50 EHAA CCCCCCCCCCCC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O 111862917 AOHBGMDQHXJADT-GJZGRUSLSA-N 344.448 3.855 0 50 EHAA O=C(c1[nH]nc2c1CCCC2)N1CCC[C@H]1c1ccccc1Cl 130874202 FFQUIHJSXGVBSC-INIZCTEOSA-N 329.831 3.919 0 50 EHAA O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H]1CCCc2[nH]ncc21 134221741 XKWPTIPVYKZMIH-SFHVURJKSA-N 347.418 3.938 0 50 EHAA CCSc1cccc(NC(=O)N2CC[C@H](CN3CCCC3)C2)c1 170591713 RMMOZHBHVYIDDS-OAHLLOKOSA-N 333.501 3.748 0 50 EHAA Cc1ncc(-c2ccc(NC(=O)c3nc4cccnc4s3)cc2)o1 170617897 ZWSBJYNBWMFIEV-UHFFFAOYSA-N 336.376 3.907 0 50 EHAA Cc1nc(C)c(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)o1 174710487 XFYGJZDEOXARCL-UHFFFAOYSA-N 335.363 3.541 0 50 EHAA Cc1[nH]ccc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 175986023 KPGJODGDQYAUSL-UHFFFAOYSA-N 325.393 3.889 0 50 EHAA Cc1noc([C@H](C)OC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)n1 183555688 MGQZECHGLCGLRB-ZJUUUORDSA-N 336.775 3.545 0 50 EHAA Cc1c(CS(C)(=O)=O)cccc1NCc1cc(F)ccc1Cl 187285654 ZLJWHZOWNRRYOS-UHFFFAOYSA-N 341.835 3.944 0 50 EHAA Cc1ccc(C(=O)CCN2CCSC[C@H]2c2nccs2)cc1 187568150 VLJOYPZZTHLXSH-HNNXBMFYSA-N 332.494 3.814 0 50 EHAA O=C1CCCN1C[C@H](NCc1cc(Cl)cs1)c1ccccc1 193008947 GIMDBLWRXVWUHS-INIZCTEOSA-N 334.872 3.855 0 50 EHAA Cc1cccc2nc(C3CCN(c4ncnc(N)c4Cl)CC3)oc12 225488756 GJESTPCBQHAPMU-UHFFFAOYSA-N 343.818 3.546 0 50 EHAA CSc1cccc(NC(=O)c2ccccc2S[C@H](C)C(N)=O)c1 225748185 VXCOEXBFSRQXFF-LLVKDONJSA-N 346.477 3.627 0 50 EHAA COCc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCC(F)(F)C2)o1 253394912 CANFXWHPDAHJMN-TZMCWYRMSA-N 327.371 3.915 0 50 EHAA c1cnc(N2CCC[C@H](Cc3nc(C4CCCCCC4)no3)C2)nc1 370982752 QTDAXDDMHYCXID-OAHLLOKOSA-N 341.459 3.757 0 50 EHAA COc1ccc([C@H]2CCCN2c2ncnc3c2CCCC3)cc1F 664368759 VPQNMCCRQPTODS-QGZVFWFLSA-N 327.403 3.845 0 50 EHAA CC(C)(C)c1noc(-c2ccccc2C(=O)N[C@H]2CCC(F)(F)C2)n1 675691502 ZXDWLYJVQYJXCF-NSHDSACASA-N 349.381 3.952 0 50 EHAA CC[C@@H](C)n1ncc(C(=O)NCC2(c3ccccn3)CC2)c1C1CC1 802578459 RQVHGDMPZZOLLA-CQSZACIVSA-N 338.455 3.588 0 50 EHAA COc1ccc(Cl)c2c1CCC[C@@H]2NCc1nc(C2CC2)n[nH]1 903176676 CTWLEDDBJSWABW-ZDUSSCGKSA-N 332.835 3.511 0 50 EHAA CC(C)c1nc([C@@H]2CCCCN2C(=O)Nc2cncc(Cl)c2)n[nH]1 932126858 UNOVOEOHURJXIR-ZDUSSCGKSA-N 348.838 3.736 0 50 EHAA Cc1nc(C)c(C(=O)Nc2cc(C(=O)NCC(C)C)ccc2C)s1 952966576 XFFQMSIAIHDYPF-UHFFFAOYSA-N 345.468 3.706 0 50 EHAA CSc1ccccc1NC(=O)NCCC(=O)Nc1cccc(C)c1 952968749 GFSPXLYGNBDYAJ-UHFFFAOYSA-N 343.452 3.867 0 50 EHAA C[C@H]1CCC(=O)N1c1ccc(NC(=O)c2cccc3c2ccn3C)cc1 952979728 PKDJBMASSVDQNH-AWEZNQCLSA-N 347.418 3.946 0 50 EHAA CC(C)N(C)C[C@H](C)C(=O)Nc1ccc(-c2cccc(F)c2F)cn1 1529185388 MFQPUQVNVJWTHY-ZDUSSCGKSA-N 347.409 3.942 0 50 EHAA CC[C@H]1C[C@H](n2ccnc2C2=Cc3cc(OC)ccc3OC2)CCN1 1857699160 PVOHNOYZPLIGNK-DLBZAZTESA-N 339.439 3.528 0 50 EHAA C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc(F)c1 1875265184 UQXWEDWFOZSAPT-LLVKDONJSA-N 327.334 3.846 0 50 EHAA O=C(Cc1ccc(O)cn1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 1875293074 BGTCMYFTYYASCE-ZCNNSNEGSA-N 336.435 3.515 0 50 EHAA CC1(C)CCc2sc(CNC(=O)Cc3ccc(CN)cc3)cc2C1 2325865169 QBQWQCMDPAGLRH-UHFFFAOYSA-N 342.508 3.581 0 50 EHAA COc1ccc(C(=O)Oc2ccccc2OC)cc1Br 142444 PEYBZJZWBODFLU-UHFFFAOYSA-N 337.169 3.686 0 50 EHAA O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccccc1O 306638 CKRAYIHSAKFELO-UHFFFAOYSA-N 325.147 3.739 0 50 EHAA Cc1cc(C)c2cccc(NC(=S)NC(=O)c3ccco3)c2n1 313890 VYOLDLVPLMTMKO-UHFFFAOYSA-N 325.393 3.571 0 50 EHAA Cc1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 324454 MPRQXMZUDWUPAM-UHFFFAOYSA-N 338.388 3.515 0 50 EHAA O=C(C[C@@H]1COc2ccccc2O1)Nc1ccc(Br)cc1 376841 WHBWIBVYRDYHOV-CYBMUJFWSA-N 348.196 3.618 0 50 EHAA CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1C(=O)c1ccccc1 449637 DUXNVONEZBLCAU-UHFFFAOYSA-N 336.343 3.648 0 50 EHAA Cc1ccc(OCC(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1 451290 ADAXZWFUOQARKY-UHFFFAOYSA-N 328.437 3.504 0 50 EHAA COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 462485 FGIQIVGFIDZRAJ-UHFFFAOYSA-N 336.347 3.793 0 50 EHAA CC(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccccc1 610102 ULLSZOGJVSIYMU-UHFFFAOYSA-N 326.787 3.871 0 50 EHAA Cc1cccc(C(=O)O)c1NC(=O)COc1ccc2ccccc2c1 1163473 HPUHNKAYIUJGHB-UHFFFAOYSA-N 335.359 3.864 0 50 EHAA COC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc2c1CCCC2 2708054 XPFFDTYHTJHDRF-UHFFFAOYSA-N 347.436 3.886 0 50 EHAA CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 2858399 IQQDONXPCJMGFN-OAHLLOKOSA-N 344.455 3.595 0 50 EHAA O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(C2CCCCC2)C1 4814424 BGWCVFVVICITEJ-NSHDSACASA-N 338.810 3.599 0 50 EHAA CC[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(C)on1 9449772 KSCZTXRMIIZFEN-LBPRGKRZSA-N 339.189 3.542 0 50 EHAA O=C1N(Cc2ccccc2F)CCC[C@@]12CCN(C1CCCC1)C2 11844115 RCEBQBSJLHDSMD-FQEVSTJZSA-N 330.447 3.583 0 50 EHAA CN(C)c1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(F)cc2)C1 11938434 ALHDMLNCJCQDKH-QGZVFWFLSA-N 341.430 3.608 0 50 EHAA O=C(C1CCC1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccn1 12438132 FDCGIAOWWOXMBM-FQEVSTJZSA-N 331.419 3.837 0 50 EHAA COc1ccc(-c2cnnc(N3CC[C@@H]4CCCC[C@H]4C3)n2)cc1F 12587478 QHYQBFLYYZIWCE-ZFWWWQNUSA-N 342.418 3.703 0 50 EHAA CC[C@@H](C)NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 20100610 JYIJHNFELFWLLM-GFCCVEGCSA-N 326.843 3.606 0 50 EHAA C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@H]1C(=O)CO 34326509 QGWCZYPVHAHXQX-YDOWFDMNSA-N 340.463 3.638 0 50 EHAA Cc1cccnc1-n1nc(C2CC2)nc1[C@@H](C)n1cnc2ccccc21 65376204 SQCRJUUBYNJUFL-CQSZACIVSA-N 344.422 3.807 0 50 EHAA c1cncc(CN2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3o2)c1 67803745 VPUATVMLOSFKGQ-FQEVSTJZSA-N 330.391 3.699 0 50 EHAA CN1CCC(N(C)C[C@H]2CC[C@@H](Cc3ccc4occc4c3)O2)CC1 67872799 LRXGETKDHUKSIK-VQTJNVASSA-N 342.483 3.549 0 50 EHAA CN(CC[C@H]1CCCCO1)Cc1cc2ccc(Cl)cc2[nH]c1=O 67909146 KBAKLLBSCIYWGP-MRXNPFEDSA-N 334.847 3.573 0 50 EHAA CCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2C1CCCC1 72119402 ISHSPOJUMFZHQP-OAHLLOKOSA-N 325.412 3.871 0 50 EHAA CC(C)C[C@H](O)C1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 77470049 HQWDFDQDKAZTFR-INIZCTEOSA-N 341.398 3.547 0 50 EHAA Cc1cc(C)c(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cn1 91551629 WAYPLOZXJKZLOP-KRWDZBQOSA-N 348.406 3.726 0 50 EHAA COc1cccc(-c2ccccc2NC(=O)NC[C@@H]2CCCOC2)c1 97527830 PBAFLABXPLUNAL-HNNXBMFYSA-N 340.423 3.910 0 50 EHAA CCCn1nc(C)c(NC(=O)N2CCC[C@@H]2c2nccs2)c1C 97742774 LUABSEPZVVBBGT-CYBMUJFWSA-N 333.461 3.735 0 50 EHAA O=C(Nc1cc(F)cc(Cl)c1)c1cnc(-c2ncccn2)s1 158340182 YIULCGHIDULDPF-UHFFFAOYSA-N 334.763 3.645 0 50 EHAA C[C@@H](CNC(=O)c1cc(F)cc2nccnc12)c1ccc(F)cc1F 174333818 BCXGOPILNGFVTH-JTQLQIEISA-N 345.324 3.581 0 50 EHAA CN(C)c1cccc(CCC(=O)N2CCCC[C@H]2c2cccn2C)c1 189193361 GQLKGCMWQONMNC-FQEVSTJZSA-N 339.483 3.778 0 50 EHAA C[C@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)c1ccc(Cl)s1 190919446 URVPHIQOMRCTGA-JTQLQIEISA-N 337.828 3.862 0 50 EHAA OCCOc1ccc(CN2CCCC[C@H]2c2ccc(F)cc2)cc1 215925159 LMJOIFNOYTWIBQ-FQEVSTJZSA-N 329.415 3.924 0 50 EHAA COc1ccc(CN2CC[C@H](OC)C2)cc1OCc1cccc(F)c1 215990091 HZSHCBZZJKNKHP-SFHVURJKSA-N 345.414 3.634 0 50 EHAA CSCc1ccc(C(=O)N[C@H](C)c2ccccc2-n2cccn2)o1 222685852 OXKGSFUQPZCFIY-CYBMUJFWSA-N 341.436 3.819 0 50 EHAA CCC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1cccc(O)c1OC 225495264 MDLPBEHAKYCONU-QGZVFWFLSA-N 338.407 3.797 0 50 EHAA Cc1nc(N2CCC[C@H](C)C2)nc2c1C(=O)C[C@H](c1ccco1)C2 229913698 XPVWTNBMFRKEBU-GXTWGEPZSA-N 325.412 3.527 0 50 EHAA Cc1ccc(-n2cc(NC(=O)CCc3c(C)noc3C)cn2)c(C)c1 240412661 FNPMPHGIBXWUCO-UHFFFAOYSA-N 338.411 3.665 0 50 EHAA CC1=NN(c2ccc(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)cc2)CC1 241126155 JJWJSBWGPIJSFW-MTEHYEEQSA-N 337.467 3.827 0 50 EHAA O=C(O)[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)CC1 253429172 CCVYJVPFPYGVPC-BILUERTLSA-N 327.424 3.582 0 50 EHAA O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)[C@H]1CCCc2cccnc21 280611630 FXJUGWHGVJJKDD-HEHGZKQESA-N 346.352 3.591 0 50 EHAA C[C@@H]1CCN(C(=O)Nc2nc(C3CCC3)cs2)C[C@H]1n1ccnc1 283105979 WXTWLVROSPRQKH-IUODEOHRSA-N 345.472 3.722 0 50 EHAA COCCc1nc(CN[C@H](c2ccc(Cl)cc2F)C(C)C)no1 289497682 KGPCDJWZLIFKJT-INIZCTEOSA-N 341.814 3.538 0 50 EHAA Cc1nc(C)c(S(=O)(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)s1 330361964 YYXWDFJEHOZLLQ-HNNXBMFYSA-N 348.493 3.676 0 50 EHAA COc1cc(NC(=O)N(C)Cc2ccc(C)o2)c(OC)c(C)c1OC 338509480 HZSQQUOMVGJYSD-UHFFFAOYSA-N 348.399 3.586 0 50 EHAA Cc1cc(N2CC[C@H](Oc3ccccc3)C2)nc(-c2cccnc2)n1 362947374 LBCZWSIFGOKWRR-SFHVURJKSA-N 332.407 3.505 0 50 EHAA O=C(Nc1ncccc1OCC1CCCCC1)[C@@H]1CC12CCOCC2 365783920 DZDUQEXDHZERDQ-INIZCTEOSA-N 344.455 3.796 0 50 EHAA Cc1cc(Cl)c(C(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cc1C 431223176 ZTDMSZLTEURCLZ-MAZHCROVSA-N 335.831 3.815 0 50 EHAA Cc1c(CNC(=O)N(C)Cc2cc(C3CC3)on2)oc2ccccc12 584889992 PNASNUJBQBXUAO-UHFFFAOYSA-N 339.395 3.948 0 50 EHAA COC1CCN(C(=O)N[C@@H](c2cccc(C)c2)c2cccs2)CC1 584894726 PLEPEMRAKIUXCH-SFHVURJKSA-N 344.480 3.966 0 50 EHAA Cc1ccccc1C1(NC(=O)CCc2ccccc2C(=O)O)CCC1 652081093 DUBQJJUZUPQOKP-UHFFFAOYSA-N 337.419 3.821 0 50 EHAA Cc1ccc2oc(CNC(=O)N3CCC[C@H](c4ncc[nH]4)C3)cc2c1 666474768 KMZZSBLFPPLIID-AWEZNQCLSA-N 338.411 3.554 0 50 EHAA O=C(O[C@H](c1ccccc1)c1ccncc1)c1ccnc2ccncc12 810555787 OTTRTFOOYXZOFL-HXUWFJFHSA-N 341.370 3.971 0 50 EHAA Fc1ccc(Cn2nc(-c3ccco3)nc2C[C@@H]2CCCOC2)cc1 826589710 MCEDWMIRAIGGJN-HNNXBMFYSA-N 341.386 3.695 0 50 EHAA CC(C)(C)C[C@H](NC(=O)Cn1ncc2ccccc21)c1cccnc1 827864079 UXBZDYHSIAFNFD-KRWDZBQOSA-N 336.439 3.725 0 50 EHAA COc1cc(C(=O)Nc2cccc3c2OC(C)(C)C[C@@H]3O)ccc1F 885654569 RKGQPFSMSOFPTI-HNNXBMFYSA-N 345.370 3.681 0 50 EHAA C[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)nc2)CCc2ccccc21 888092886 NFFAADRQQQPDOG-CYBMUJFWSA-N 348.368 3.831 0 50 EHAA Cc1ccnc(-c2noc([C@@H](C(C)C)N3Cc4ccccc4C3=O)n2)c1 904945285 VRZSFICWHDREQW-QGZVFWFLSA-N 348.406 3.793 0 50 EHAA CC[C@@H](c1cccnc1)N(C)C(=O)CCC(=O)N(C)C1CCCCC1 952872074 IVKQAPOXMZOYTH-SFHVURJKSA-N 345.487 3.562 0 50 EHAA CC1=C(CNC[C@@H](c2ccccn2)N2CCOCC2)C(C)(C)CCC1 952974150 YNZJNBLFOBRNLC-FQEVSTJZSA-N 343.515 3.571 0 50 EHAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)c1cc(C)oc1C 952974480 MPCMQJKRMSEWBY-UHFFFAOYSA-N 327.340 3.516 0 50 EHAA CC(C)c1nnc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)s1 1529127073 ZWDPJYFNQMFCKG-UHFFFAOYSA-N 346.544 3.752 0 50 EHAA CN1C[C@H](n2ccnc2-c2ccc(OCc3ccccc3)cc2)CC1=O 1857666989 XZZDUSMNGLIFGQ-GOSISDBHSA-N 347.418 3.532 0 50 EHAA O=C(O)c1ccccc1CC1CCN(Cc2ccc3c[nH]nc3c2)CC1 1875270624 ORMNHDFGKXQLFT-UHFFFAOYSA-N 349.434 3.716 0 50 EHAA COCCN(Cc1cn(C/C=C(/C)Cl)nn1)[C@@H](C)c1ccccc1 2325761508 HEJGRKUCYBDJCF-TYWAAFNRSA-N 348.878 3.630 0 50 EHAA CC(C)(C)c1ccc(OCCCC(=O)N2CCc3cncnc32)cc1 2325805797 ZVIQUDRZKWFROI-UHFFFAOYSA-N 339.439 3.522 0 50 EHAA CC(C)C[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@@]1(C)C(=O)O 2325820730 VBYWTJOJAONSKV-FUHIMQAGSA-N 331.456 3.651 0 50 EHAA C[C@H]1CC(NC(=O)NCc2n[nH]c3ccc(Cl)cc23)C[C@H](C)C1 2325843049 RPDPYFCELHOEGO-GHMZBOCLSA-N 334.851 3.840 0 50 EHAA COC(=O)c1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1 116787 CTDNSFYIPHJIFG-UHFFFAOYSA-N 349.140 3.546 0 50 EHAA aggregator CCc1ccc(N2C[C@@H](C(=O)Nc3cc(C)cc(C)c3)CC2=O)cc1 1198393 KYDPQXDXNLLIGH-KRWDZBQOSA-N 336.435 3.857 0 50 EHAA CCOc1ccc2nccc([C@H](O)[C@@H]3C[C@H]4CCN3C[C@H]4CC)c2c1 1319903 SUWZHLCNFQWNPE-RPQNVMPDSA-N 340.467 3.787 0 50 EHAA biogenic,in-vitro CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Cl)c1Cl 4031447 CNEPNIBMUGJJTB-ZDUSSCGKSA-N 343.210 3.575 0 50 EHAA Cc1cc(NC(=O)c2ccco2)cc(C)c1I 4842662 VJVJVTNZJNRYND-UHFFFAOYSA-N 341.148 3.753 0 50 EHAA CC1=C(C)C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@H](C(=O)O)C1 4892879 ZSCYJINYFFACSA-VXGBXAGGSA-N 325.767 3.865 0 50 EHAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2ccncc2)C1 12194336 DVQCHUWVVNCRPL-MRXNPFEDSA-N 326.465 3.898 0 50 EHAA CCn1ccnc1CN[C@@H]1CCCc2nc(-c3ccccc3)ncc21 12434127 ICMUAWKBLMDMRK-QGZVFWFLSA-N 333.439 3.527 0 50 EHAA O=C(Nc1ccccc1F)N1CCN(Cc2ccccc2Cl)CC1 20668127 HLFBKXWILNLFCV-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA Cn1nc(-c2cccnc2)c2[nH]c(-c3c[nH]nc3C3CCCCC3)nc21 23580650 MVGWMRXFPLUWRX-UHFFFAOYSA-N 347.426 3.796 0 50 EHAA O=C1OCC2=C1[C@H](c1ccccc1Cl)CC(=O)N2c1ccccc1 35142781 BLWLVSKTCUJMGN-AWEZNQCLSA-N 339.778 3.671 0 50 EHAA CC[C@H](C)N(Cc1ccsc1)C(=O)CCn1nnc2ccccc21 55195543 PTUQHVMEKORYOX-AWEZNQCLSA-N 342.468 3.710 0 50 EHAA CCCCN(CCCCO)C(=O)c1cc(C)nc2cc(C)ccc12 55211937 SYISXXXUHGXDCJ-UHFFFAOYSA-N 328.456 3.866 0 50 EHAA Cc1nc(C(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)c[nH]1 55383542 URNSLTOYWIRLAS-UHFFFAOYSA-N 348.406 3.542 0 50 EHAA O[C@@H]1CN(c2ccc(Cl)nn2)CC[C@H]1c1ccc2ccccc2c1 67674157 GJSDWVOFXDVJPN-DLBZAZTESA-N 339.826 3.638 0 50 EHAA Cc1ccc([C@H](NC(=O)c2cccc3ccnn23)c2ccncc2)cc1 72141601 JWFJWYHSRFVASW-FQEVSTJZSA-N 342.402 3.557 0 50 EHAA COc1ccc(C(=O)Nc2cc(Cl)ccc2N(C)C)c(OC)c1 72495751 OWTKFIFFJKYNHI-UHFFFAOYSA-N 334.803 3.676 0 50 EHAA CCCc1cc(C(=O)N(C)Cc2cc(Cl)ccc2OCC)[nH]n1 91817594 QIANRNZHFIGBBF-UHFFFAOYSA-N 335.835 3.687 0 50 EHAA CC(C)N1CCC[C@@H](CN(C)C(=O)c2cc(F)cc(Cl)c2)C1 91846363 GXCJTEBMALCHII-ZDUSSCGKSA-N 326.843 3.672 0 50 EHAA O=C(NC1(c2ccccc2Cl)CC1)c1cc(=O)[nH]c2ccccc12 97334169 QFKJVMCVURQGFK-UHFFFAOYSA-N 338.794 3.601 0 50 EHAA CC(C)c1nc(CN(C)C[C@@H]2CCN(Cc3ccccc3)C2)co1 97743237 VQXPOSDMOOQKRE-SFHVURJKSA-N 327.472 3.752 0 50 EHAA FC(F)Oc1ccccc1[C@@H]1C=C(c2ccccc2)Nc2ncnn21 100716245 HBTLUEZXMQTZRV-HNNXBMFYSA-N 340.333 3.936 0 50 EHAA c1ccc(Oc2ccc(-c3noc([C@@H]4C[C@H]5CC[C@H]4O5)n3)cn2)cc1 110593077 FLVYFCSUGJEARN-BZUAXINKSA-N 335.363 3.959 0 50 EHAA Cc1cccn2cc(CC(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)nc12 170610997 XHIBGWYZMLQPJQ-PBHICJAKSA-N 337.423 3.560 0 50 EHAA Cc1nc(C)c(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)o1 174225218 YRPAFJFPEGBSEX-INIZCTEOSA-N 336.395 3.666 0 50 EHAA C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1nc(C(C)(C)C)no1 174699037 ZPQVUWKVMKSQGE-MRVPVSSYSA-N 325.771 3.651 0 50 EHAA Cc1nc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 175687734 XJFCITVIRFDWJN-UHFFFAOYSA-N 336.360 3.580 0 50 EHAA COc1ccc2[nH]c(C(=O)NC3CCC(OC(C)C)CC3)cc2c1 189535203 FVAVHXKDCKBLLN-UHFFFAOYSA-N 330.428 3.643 0 50 EHAA COc1ccccc1OC1CN(Cc2ccc([C@@H]3CCCO3)s2)C1 216467717 USWTYPXKYBGQKG-SFHVURJKSA-N 345.464 3.871 0 50 EHAA CCC(CC)C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 218844371 HOCDFIZYXUNMKM-GXOAENINSA-N 326.440 3.599 0 50 EHAA O=[S@@](Cc1ccn(-c2ccc(F)cc2)n1)c1cc(F)ccc1F 225424138 DJHQQTHMZMPBQT-QHCPKHFHSA-N 336.338 3.597 0 50 EHAA C[C@H](NC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1)c1cnn(C)c1 230186914 YZJRMCJOUNSOAF-QSFXBCCZSA-N 338.455 3.592 0 50 EHAA CC(=O)c1ccccc1C(=O)NCCC1CCN(C2CCCC2)CC1 252493402 NBMNSDXWUFPCKD-UHFFFAOYSA-N 342.483 3.664 0 50 EHAA Cc1nc([C@@H](Nc2ccc(C(F)(F)F)cn2)c2ccccc2)n[nH]1 253427742 DPGSGGHJZXAHBM-AWEZNQCLSA-N 333.317 3.728 0 50 EHAA Cc1ccc(Cl)cc1N1CC[C@H](CNc2nnc(C3CC3)o2)C1 278497378 WWEYFQHSHOLPSJ-GFCCVEGCSA-N 332.835 3.847 0 50 EHAA C[C@H]1C[C@@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCN1C 279244818 SEPZBKXTVPEASY-UWVGGRQHSA-N 332.778 3.610 0 50 EHAA Cc1noc([C@@H]2CC[C@H](CN[C@H]3CCC[C@H]3Cc3ccccc3)O2)n1 328624760 KEFXTYUICDYFQP-RDGPPVDQSA-N 341.455 3.599 0 50 EHAA Cc1cc(CN[C@H](c2nc(C(C)C)no2)C2CCOCC2)c(C)o1 328639642 WXOZWEBFYIUNFH-INIZCTEOSA-N 333.432 3.660 0 50 EHAA Cc1nc([C@H]2CCCCN2C(=O)Nc2ccccc2OC(C)C)n[nH]1 374571379 HQEIXFQTKMRXAV-OAHLLOKOSA-N 343.431 3.659 0 50 EHAA Cc1cccc(O[C@@H]2CCCC[C@@H]2NCc2cn(C(C)(C)C)nn2)c1 480304322 IGXPVWSXKSCTKU-RBUKOAKNSA-N 342.487 3.821 0 50 EHAA OC1(CNc2ncnc3c2oc2ccccc23)CCC(F)(F)CC1 664579056 BYWPJSURLMGQOV-UHFFFAOYSA-N 333.338 3.728 0 50 EHAA CC1(C)CN(c2cnc(F)cn2)[C@@H]1c1nccn1-c1ccc(F)cc1 952894830 QZNGLFAXRJCGHG-MRXNPFEDSA-N 341.365 3.528 0 50 EHAA Cc1cccc(CN(Cc2ccc(N(C)C)nc2)C[C@H]2CCCO2)c1 952972108 UWUCDBPAXBFUCE-HXUWFJFHSA-N 339.483 3.637 0 50 EHAA CCSc1nc(C)c([C@H](CC)C(=O)NC[C@@]2(C)CCOC2)s1 952994451 VEMYXHPXQQYROF-BLLLJJGKSA-N 342.530 3.600 0 50 EHAA Cc1cc2nc(C(=O)N[C@H]3CCCC[C@@H]3c3ccccc3)cc(C)n2n1 1565528724 MHTHLZDATKJZMW-MSOLQXFVSA-N 348.450 3.802 0 50 EHAA CO[C@@H]1CCC[C@@]12CCCN(Cc1cc3c(cc1Cl)OCO3)C2 1704325469 MJMVMMUBXQLPPZ-MSOLQXFVSA-N 337.847 3.850 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)C(C)(C)Oc3cccc(C)c3)C[C@@H]21 1704340334 GGTTZAWTGVQIAO-PLMTUMEDSA-N 345.483 3.552 0 50 EHAA Cc1nc(CN2CCC[C@H](NC(=O)C3(C)CCCC3)CC2)cs1 1875302888 LFDOJLXADPVCQE-HNNXBMFYSA-N 335.517 3.503 0 50 EHAA CSCc1cccnc1C(=O)Nc1ccc2n[nH]cc2c1Cl 2325862315 PQDHOKMBFCMCGO-UHFFFAOYSA-N 332.816 3.727 0 50 EHAA Cn1c(=O)c(N2CCCCC2)c2c3c(cccc31)C(=O)c1ccccc1-2 33457 FZASTPJEXBCPOJ-UHFFFAOYSA-N 344.414 3.740 0 50 EHAA Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)c(C)c1C 94570 CAKYMEZSBJGTDN-SFHVURJKSA-N 344.480 3.923 0 50 EHAA CC1(C)C[C@](CC(=O)Nc2nccs2)(c2ccccc2)CCO1 249376 KVVCJHMAMBCPCW-SFHVURJKSA-N 330.453 3.999 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 454391 WXTCTHOMAYQQLM-UHFFFAOYSA-N 325.817 3.848 0 50 EHAA COc1cccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)c1 549673 FHFXZTCAUXQMES-UHFFFAOYSA-N 329.355 3.748 0 50 EHAA O=C1NC(c2ccc(C(F)(F)F)cc2)=CCN1c1ccccc1O 1123523 RYNNCKCYBYCRIJ-UHFFFAOYSA-N 334.297 3.982 0 50 EHAA CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccccc2)n1 2183422 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CCc1ccc2nc(-c3cn[nH]c3)cc(C(=O)N3CCCCC3)c2c1 20472522 RYXFDTNXYWRCIH-UHFFFAOYSA-N 334.423 3.813 0 50 EHAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)C(=O)c1ccco1 55371083 YXNCBOPKSNCIRE-UHFFFAOYSA-N 341.392 3.592 0 50 EHAA Cc1ncc(CN2CCc3onc(-c4ccc(Cl)cc4)c3C2)[nH]1 67871856 IYYIZTPNDPEOQZ-UHFFFAOYSA-N 328.803 3.585 0 50 EHAA CC(C)c1nccc(-c2nccn2CCc2nc3ccccc3n2C)n1 71753425 QNNDTEXFBMSQPS-UHFFFAOYSA-N 346.438 3.593 0 50 EHAA CC(=O)c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)nc1 72157369 JLHWAIWMHWUMTC-UHFFFAOYSA-N 343.390 3.835 0 50 EHAA Cc1cccc(-c2nc(Cn3ccnc3[C@H]3CCOC3)cs2)c1 77469834 KXXDZEGVSQUAMN-HNNXBMFYSA-N 325.437 3.867 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)N[C@@H]3CCCc4nccnc43)c2c1 77504862 NXEIUFZHGMBRMI-GOSISDBHSA-N 346.434 3.757 0 50 EHAA CCCCc1nc2cc(C(=O)N[C@H](CC)c3nc(C)no3)ccc2o1 95524849 BMAWJXWHEQSMPJ-CYBMUJFWSA-N 342.399 3.743 0 50 EHAA Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H](C)c1cccc(O)c1)CCC2 112457853 HTDLXSBJVDKNOI-ZBEGNZNMSA-N 345.468 3.937 0 50 EHAA O=C(NOCc1cccnc1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 119021592 XCKGRNMQQBNSBC-AZUAARDMSA-N 337.423 3.624 0 50 EHAA CC(C)(C)c1cc(NCC2=CCCOC2)n(Cc2ccccc2)n1 126988322 IQQLIEMQCVWANM-UHFFFAOYSA-N 325.456 3.988 0 50 EHAA COc1ccc(Cl)cc1NC(=O)c1c(C)c2ccccc2[nH]c1=O 146397932 DVPDOUXHTCLGGG-UHFFFAOYSA-N 342.782 3.751 0 50 EHAA Cc1cc(C(=O)NCCc2nnc(-c3ccccc3)o2)ccc1Cl 150935304 NPAVDDWJWAGLTM-UHFFFAOYSA-N 341.798 3.671 0 50 EHAA CC(C)(C(=O)NCc1ccccc1-n1cccn1)c1cccs1 172067191 NASMAELUIFHCHF-UHFFFAOYSA-N 325.437 3.528 0 50 EHAA O=C(C1=CCOCC1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 187391286 YWFJBNASBGVAMB-NRFANRHFSA-N 333.431 3.702 0 50 EHAA O=C1NCCN1Cc1ccccc1N[C@H]1CCC[C@H](C(F)(F)F)C1 188326724 ZCMTYHGIBOKCFY-KBPBESRZSA-N 341.377 3.745 0 50 EHAA Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1CCCO[C@H]1C 189929211 HSDJAQPZXJUASD-FXAWDEMLSA-N 338.451 3.734 0 50 EHAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 239235606 WHPLJLKGBSEJLK-GYBADROVSA-N 343.732 3.894 0 50 EHAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H](C)OC[C@H]1CCCCO1 239807503 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338.411 3.599 0 50 EHAA CCOC(=O)c1sc(NC(=O)CC2CC2)nc1-c1ccccc1 342543386 MJWHSFCSNJNFBO-UHFFFAOYSA-N 330.409 3.725 0 50 EHAA O=C(NC[C@H](c1ccccc1)N1CCCCCC1)c1cncc(F)c1 670439497 BTNVEIJOORRLNY-LJQANCHMSA-N 341.430 3.568 0 50 EHAA CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1cc2nn[nH]c2cc1F 885234362 LATWNLQHKXBKTL-ZDUSSCGKSA-N 338.386 3.505 0 50 EHAA CC(C)(C)c1nc(CNc2cc(CO)ccc2Br)co1 901422211 KOEKEXAHYAOILF-UHFFFAOYSA-N 339.233 3.839 0 50 EHAA CC(C)c1cc(Cl)ccc1NC(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 902177048 HXNIIDNAFRBREY-AAEUAGOBSA-N 339.819 3.672 0 50 EHAA CC[C@@H](NC(=O)c1ccc(N2CCCC2)c(Cl)c1)c1ccnn1C 952972837 UUIWLBNYWAVCNU-OAHLLOKOSA-N 346.862 3.555 0 50 EHAA Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C4CCC4)[nH]n3)cc2)n1 1875243974 GUZWSEHIQFMOIZ-UHFFFAOYSA-N 335.411 3.732 0 50 EHAA COc1ccc(-c2cnn(-c3ccccc3)c(=O)c2)cc1OC(F)F 1875358541 ZYUCTHHYODJTIX-UHFFFAOYSA-N 344.317 3.510 0 50 EHAA c1ccc([C@@H]2CCc3nnc(-c4ccc5c(c4)OCO5)n3CC2)cc1 2100539731 WBKRDWKZRRIDIY-OAHLLOKOSA-N 333.391 3.794 0 50 EHAA COC1(CN(C)C)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 2356166020 TXTRRSWTCPITBU-UHFFFAOYSA-N 331.287 3.536 0 50 EHAA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccccc2)NC(=O)N1 194798 RGYCCVAXVWDEHR-QGZVFWFLSA-N 328.412 3.581 0 50 EHAA Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)O)cc3N2)cc1 226868 QAMKCWLSDIAWSU-PWSUYJOCSA-N 325.290 3.550 0 50 EHAA CC(C)N1CCC[C@]2(CCCN2Cc2ccc3ccn(C)c3c2)C1=O 2356152186 DESRKDFMDVHQOS-OAQYLSRUSA-N 339.483 3.544 0 50 EHAA CCc1c(C(=O)NCc2cc3ccccc3[nH]2)cnn1-c1ccccc1 349645258 NNKXXWVUKZAITB-UHFFFAOYSA-N 344.418 3.846 0 50 EHAA COc1ccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc1 61722026 NUNWATYCQQRNIS-UHFFFAOYSA-N 338.411 3.661 0 50 EHAA CCOc1cccc(CN(CCO)Cc2ccc3ccccc3n2)c1 63856906 XEWXETBYCAOLPJ-UHFFFAOYSA-N 336.435 3.628 0 50 EHAA C[C@H](NC(=S)N1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1)c1ccccc1 229778887 VRTMGQLBDBUGCZ-DWRORGKVSA-N 345.556 3.959 0 50 EHAA CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N2CCCC2)nc1 20785329 XWANHVFDHXMMIX-UHFFFAOYSA-N 346.434 3.502 0 50 EHAA O=C(Nc1cccc(-c2nccs2)c1)N[C@@H]1CCC[C@H]2OCC[C@@H]12 230129801 QWYICUPIUDZBJF-ARFHVFGLSA-N 343.452 3.889 0 50 EHAA CCCCc1nc(-c2c(-c3ccccc3)ncn2[C@H]2CCNC2)c[nH]1 65420505 RTLDOKRXXUOUMI-INIZCTEOSA-N 335.455 3.817 0 50 EHAA CN(C(=O)NCCc1nc(-c2cccc(Cl)c2)no1)C1CCCC1 172034934 LJXZZZUNMBLGBO-UHFFFAOYSA-N 348.834 3.517 0 50 EHAA Cc1cccc(OC2CCN(c3ccc(Cn4ccnc4)cn3)CC2)c1 77303739 ZFVKILWSGLRSMV-UHFFFAOYSA-N 348.450 3.683 0 50 EHAA O=C(O[C@H]1[C@H]2OC(=O)[C@H]3C[C@H]1C[C@@H]32)c1cc2c(s1)CCCCCC2 253424707 JVSIJTFXJMUGLM-HVCLXXKLSA-N 346.448 3.514 0 50 EHAA COc1cc(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)ccc1F 153558391 PGVKENVRPIQXBB-UHFFFAOYSA-N 344.386 3.533 0 50 EHAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1ccc(-c2ccccc2Cl)o1 237665041 BTMJUTXSSLOSNQ-FUNVUKJBSA-N 330.815 3.613 0 50 EHAA Cc1cccc([C@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)n1 72457852 JYWKHEVIASZIQQ-HNNXBMFYSA-N 326.440 3.585 0 50 EHAA CC(C)n1ccc(CN2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)n1 239352116 ABCNLPOWSXEZBN-NJAFHUGGSA-N 347.503 3.939 0 50 EHAA Cc1ccc(-n2cc(CN3CCC[C@@H](c4ccncn4)C3)cn2)cc1C 216032520 KTNOJYZHVOUALT-LJQANCHMSA-N 347.466 3.659 0 50 EHAA CC(C)C[C@@H](O)C1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 77470050 HQWDFDQDKAZTFR-MRXNPFEDSA-N 341.398 3.547 0 50 EHAA O=C(O)c1ccccc1CC1CCN(C(=O)[C@@H]2Cc3ccccc32)CC1 263177258 ZGTXTJWPBNESBA-HXUWFJFHSA-N 349.430 3.506 0 50 EHAA COCCC[C@H]1CCCCN1C(=O)c1ccccc1N1CCCC1 82108301 NYLWKTAZMISGFY-QGZVFWFLSA-N 330.472 3.708 0 50 EHAA Cc1c(C(=O)N(C)CCN2CCCCCC2)[nH]c2c(F)cccc12 426412367 JILSZLKPXYWGBQ-UHFFFAOYSA-N 331.435 3.563 0 50 EHAA CO[C@H](CNC(=O)N(Cc1cccnc1)CC(C)C)c1cccs1 426486075 UAHFLQKGDZTVQY-MRXNPFEDSA-N 347.484 3.698 0 50 EHAA CCCc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)o1 91586774 FBYVRSANDQCHPL-DOTOQJQBSA-N 345.512 3.785 0 50 EHAA CCc1nc2ccccc2n1[C@@H](CC)C(=O)N1CC(c2cccnc2)C1 91942950 BHDAZAUFLSVLSI-SFHVURJKSA-N 348.450 3.571 0 50 EHAA COc1ccc(NC(=O)c2ccc(Cl)cc2C)cc1C(=O)N(C)C 824704465 WHXSMIIEQGUIHW-UHFFFAOYSA-N 346.814 3.611 0 50 EHAA CN1CCC(c2n[nH]c(Cc3c(Cl)cccc3Cl)n2)CC1 670452714 PEQMEYYEGBKPEW-UHFFFAOYSA-N 325.243 3.512 0 50 EHAA O=C1CCCCN1Cc1nnc(-c2cc3c(s2)CCCCCC3)o1 952988863 ACIKKOXPCWBIQV-UHFFFAOYSA-N 345.468 3.970 0 50 EHAA CCc1cc(NC(=O)c2ccc(C(C)C)nc2O)sc1C(=O)OC 1875296257 MWPCGMRRJLMAHU-UHFFFAOYSA-N 348.424 3.573 0 50 EHAA O=C(Nc1cnc(Cl)c(F)c1)N1Cc2ccccc2C2(CC2)C1 1875296693 JMZNEEJVGVEACX-UHFFFAOYSA-N 331.778 3.953 0 50 EHAA Cc1ccc2cc(CNCCOc3ccccc3F)c(O)nc2c1 952967007 GKKNIICQELYLSM-UHFFFAOYSA-N 326.371 3.557 0 50 EHAA O=C(c1cnn(Cc2ccccc2)c1)N1CCCc2ccccc2C1 171529646 QLWVGQPBYWCEFQ-UHFFFAOYSA-N 331.419 3.520 0 50 EHAA CC(C)c1noc(CC2CCN(c3ncnc4ccsc34)CC2)n1 1775996595 FTBBBQMMUQPBIM-UHFFFAOYSA-N 343.456 3.657 0 50 EHAA CCOc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(F)cc1 1776004672 XNZLDXKRPQIDGK-UHFFFAOYSA-N 330.764 3.646 0 50 EHAA CCc1cccc(C)c1NC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 109738132 FVMZIYCIGOUIRZ-UHFFFAOYSA-N 337.423 3.688 0 50 EHAA Cc1noc(C)c1CN1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 280474321 PDEQVKRCEKCNCZ-LRDDRELGSA-N 340.345 3.618 0 50 EHAA CCCn1nc(C)c(CN[C@H]2CCOc3ccc(OCC)cc32)c1C 187545053 IKDQEIYCSWMNPN-IBGZPJMESA-N 343.471 3.922 0 50 EHAA Cc1nc(CCCC(=O)Nc2ccc3nnc(C(C)C)n3c2)cs1 189256489 FLLQIFRVMIDSMB-UHFFFAOYSA-N 343.456 3.579 0 50 EHAA O=C(c1ccoc1Cl)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 192438098 RGTCBBNQXQHXCB-DZGCQCFKSA-N 337.778 3.800 0 50 EHAA Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccc3n2)o1 375520 XBZNENPOSGUMQG-AWEZNQCLSA-N 336.391 3.712 0 50 EHAA CCCOc1ccc(CN2CCC[C@]3(CCC[C@H]3OC)C2)cc1CO 1704345473 ZINGLHPKZKREQW-NHCUHLMSSA-N 347.499 3.749 0 50 EHAA O=C1N(CC2CC2)CCC[C@]12CCN(Cc1ccccc1Cl)C2 14958660 VMNCILNJBXNQTP-LJQANCHMSA-N 332.875 3.565 0 50 EHAA c1ccc(CCNc2ncncc2-c2nc(-c3ccccc3)no2)cc1 169775611 XTJBWOOANAVEPE-UHFFFAOYSA-N 343.390 3.848 0 50 EHAA COc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 4314913 FOYFOZHORRPGTH-UHFFFAOYSA-N 335.407 3.591 0 50 EHAA CCCC[C@@H]1CN(Cc2ncc(C)c(OC)c2C)C[C@H](C2CC2)O1 1875245556 FNIDFGQXTMPMEA-IEBWSBKVSA-N 332.488 3.877 0 50 EHAA CN(CCN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253531176 NDAWUPLIPPNPGL-YGZDAZCWSA-N 348.575 3.649 0 50 EHAA biogenic O=C(O)[C@@]12CCC[C@H]1CN(Cc1c(Cl)ccc3cccnc13)C2 262138113 LNXYDHCQSMDIFE-SCLBCKFNSA-N 330.815 3.575 0 50 EHAA Cc1cccc(CN[C@@H](C)c2ccc(N3CCNC3=O)cc2)c1F 842739706 CAVBWWNFQCAKBH-AWEZNQCLSA-N 327.403 3.515 0 50 EHAA Cc1csc(C(=O)Nc2ccc(Br)c(C(=O)O)c2)c1 379185862 HLLHHKIXIIBNJT-UHFFFAOYSA-N 340.198 3.770 0 50 EHAA CCOCC(=O)Nc1ncc2c(n1)-c1cc(Cl)ccc1S[C@@H]2C 2100557431 SIKLNCOYRBRJMA-SECBINFHSA-N 349.843 3.939 0 50 EHAA CCc1cccc2c(C(=O)COC(=O)c3ccn(C(C)C)n3)c[nH]c12 2325729091 OEPDEYVPLPBTEJ-UHFFFAOYSA-N 339.395 3.547 0 50 EHAA CCC1=NO[C@H](CC(=O)N2C[C@H](C)C[C@H]2c2ccc(OC)cc2)C1 2325807858 YTLPZVOYQABVGI-BVGQSLNGSA-N 330.428 3.550 0 50 EHAA C[C@@H]1Oc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2[C@H]1C 2325841554 ZMLFTJOMKGXTIA-STQMWFEESA-N 330.472 3.610 0 50 EHAA C[C@](O)(CNC(=O)NCc1ccc2c(c1)CCCC2)C1CCCCC1 2325842448 ZAXCCZAPBGOJBE-NRFANRHFSA-N 344.499 3.696 0 50 EHAA Cc1nnc(NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)s1 151962959 AXVPBDJYLPLFOV-ZDUSSCGKSA-N 344.440 3.805 0 50 EHAA COC(=O)c1c(NC(=O)CSc2ccccc2)sc(C)c1C 91416 FYPAOCMJBHVQDE-UHFFFAOYSA-N 335.450 3.882 0 50 EHAA Cc1ccc(Cn2ncc3c(N4C[C@H](C)C[C@@H](C)C4)ncnc32)cc1 521830 KQUHRRWPAODPTP-HZPDHXFCSA-N 335.455 3.665 0 50 EHAA CCCCOc1ccc(Cl)cc1CSc1nnc(CC)n1N 2859724 KDNDMIOVUTZCNC-UHFFFAOYSA-N 340.880 3.679 0 50 EHAA CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 2993358 HNDRBJFAPGONBF-GFCCVEGCSA-N 344.377 3.977 0 50 EHAA O=C(C1CCN(C[C@H]2CC=CCC2)CC1)N1CCc2ccccc2C1 4613902 NKHWPZPXBYLZHZ-SFHVURJKSA-N 338.495 3.640 0 50 EHAA COc1cc(SC)ccc1C(=O)NCCOc1cc(C)cc(C)c1 4727643 FIURSYSJPAOBFW-UHFFFAOYSA-N 345.464 3.843 0 50 EHAA COc1ccc(-n2ccc(O)c(Cc3ccc(Cl)cc3)c2=O)cc1 5703243 FIPXXWWEZJOZQS-UHFFFAOYSA-N 341.794 3.796 0 50 EHAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1F 6697435 MAAXOKAXVVSDAO-UHFFFAOYSA-N 325.343 3.538 0 50 EHAA CCOCCOc1ccccc1NC(=O)COc1cc(C)cc(C)c1 10506240 XZPZCIBGJLNPLH-UHFFFAOYSA-N 343.423 3.736 0 50 EHAA C[C@H](CCCC(C)(C)O)NC(=O)c1ccc2nc(C3CC3)oc2c1 12762274 UDMGEVHQZVMEMF-GFCCVEGCSA-N 330.428 3.765 0 50 EHAA COc1ccc(C(=O)[C@H]2CN(C)C[C@@H]2c2ccc(Cl)cc2)cc1 13143356 BJLIVVSDLXNEDM-MSOLQXFVSA-N 329.827 3.877 0 50 EHAA C/C=C/c1ccc(OCCCCN2CCN(CC)CC2)c(OC)c1 20406358 NEYNGVZPWCJUMP-XBXARRHUSA-N 332.488 3.525 0 50 EHAA Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)on2)on1 33269749 XQIIXVKNPSSUTL-HNNXBMFYSA-N 341.342 3.754 0 50 EHAA O=C(c1cc2sccc2[nH]1)N1CCO[C@H](c2ccc(F)cc2)C1 67604494 LEFPQDBDZBZNFE-HNNXBMFYSA-N 330.384 3.582 0 50 EHAA O=C(c1ccncc1F)N1CCC[C@H](CCc2ccc(F)cc2)C1 71765268 ZUJDOMQDKZQMAY-OAHLLOKOSA-N 330.378 3.845 0 50 EHAA O=C(NCc1c(F)cccc1Cl)c1cccc(Cn2cccn2)c1 91390759 OPHVLDLIIFFBIM-UHFFFAOYSA-N 343.789 3.654 0 50 EHAA O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[C@H]1C[C@H]2CC[C@H]1O2 110676845 NYFKOUFFNMKSBZ-FCGDIQPGSA-N 325.383 3.599 0 50 EHAA Cc1cc(C)c(NNC(=O)CCc2csc3nc(C)cn23)c(C)c1 159829101 UPTGLKCSLUZEBK-UHFFFAOYSA-N 342.468 3.705 0 50 EHAA CN(C)c1cccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 170639533 MZKOOSBXJOPPPJ-LJQANCHMSA-N 330.859 3.980 0 50 EHAA O=S(=O)(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1ccccc1 176582244 JZOKLZGVRONABT-UHFFFAOYSA-N 327.409 3.631 0 50 EHAA CC(C)c1ncc(C(=O)N2CCC(Cc3ccccn3)CC2)s1 178527263 FRECTNSXSHTEDT-UHFFFAOYSA-N 329.469 3.756 0 50 EHAA O=C(c1scnc1C1CCCC1)N1CCCC[C@H]1c1ncon1 184938653 OYBUPKVIOAXKKA-LBPRGKRZSA-N 332.429 3.551 0 50 EHAA O=C(Cc1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 193136635 YIRQMLDOLFPLEZ-QGZVFWFLSA-N 333.391 3.643 0 50 EHAA O=C(NCc1nccn1C(F)F)Nc1scnc1-c1ccccc1 193972858 YAYHXUQKKJRKOS-UHFFFAOYSA-N 349.366 3.723 0 50 EHAA COc1ccccc1C1=NN(C(=O)c2ccco2)[C@@H](c2ccco2)C1 225782865 DMINBQJYULEJIQ-OAHLLOKOSA-N 336.347 3.873 0 50 EHAA CC[C@@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1cccs1 241720950 QTPHZYPCBNFQIZ-NVXWUHKLSA-N 328.481 3.951 0 50 EHAA CC(=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 253611294 WOUWWZYKGYDVMI-DJYLGVINSA-N 332.484 3.774 0 50 EHAA Cc1cc([N+](=O)[O-])c(NN=Cc2ccccc2Cl)c([N+](=O)[O-])c1 254401335 SGOXVBYJUWZHHS-UHFFFAOYSA-N 334.719 3.911 0 50 EHAA C[C@@]1(CCc2ccccc2)CCN(C(=O)CC2C[C@@H]3CC[C@H](C2)N3)C1 262622803 HEVPWXSOXJVNAJ-RKKYOWQMSA-N 340.511 3.779 0 50 EHAA CNC[C@H]1CCCN(C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)C1 269106707 KJDSTGGSFAHEPB-KADHNRKRSA-N 340.389 3.567 0 50 EHAA C[C@]1(F)CCCN(C(=O)Nc2nnc(-c3ccsc3)s2)C1 296484345 NIUVHHUULYDBEK-ZDUSSCGKSA-N 326.422 3.623 0 50 EHAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N(C)c2ccc(Cl)nn2)o1 366200864 ZDDKACLMLHCQSS-KXNHARMFSA-N 331.803 3.613 0 50 EHAA CC(=O)Nc1ccc(C(=O)NC2(C(F)(F)F)CCCCC2)cc1F 408514507 HDLXWCGUZRWOCY-UHFFFAOYSA-N 346.324 3.779 0 50 EHAA C[C@@H](NCc1csc(N(C)C2CC2)n1)c1nc2c(s1)CCC2 459636878 RNZCISDWQJLQSU-SNVBAGLBSA-N 334.514 3.538 0 50 EHAA OC1(CCCN[C@H](c2nc(Br)cs2)C2CC2)CCC1 817587564 YTWHEJXVEWGMML-LBPRGKRZSA-N 345.306 3.642 0 50 EHAA CC(C)C(=O)Nc1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1 827621747 MJVGGPCAXBQUQH-UHFFFAOYSA-N 342.361 3.696 0 50 EHAA CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCCC2)CC1(C)C 865215401 PWYHJXZYENNFEK-UHFFFAOYSA-N 334.464 3.508 0 50 EHAA Cn1nccc1[C@@H]1OCCC[C@H]1c1nnc(C=C(C2CC2)C2CC2)o1 886095145 MJRLYXDKGXBMHH-RDTXWAMCSA-N 340.427 3.642 0 50 EHAA Cc1cnc2c(cnn2CC(=O)N(C(C)C)[C@H](C)c2ccccc2)c1 905738463 HRXBKEAYSYOEHZ-MRXNPFEDSA-N 336.439 3.738 0 50 EHAA O[C@H](c1cccs1)C1CCN(Cc2nc3ccccc3[nH]2)CC1 952966736 JPHUQKAFLZDBIN-SFHVURJKSA-N 327.453 3.570 0 50 EHAA COc1ccccc1Oc1ccc(NC(=O)[C@H]2C[C@@H](C(=O)O)C2)cc1 1263625946 DXVGVYZTDSXHCJ-BETUJISGSA-N 341.363 3.537 0 50 EHAA CNC(=O)c1ccc(NC(=O)NCC[C@H]2CCCC[C@@H]2C)c(C)c1 1318617723 YBNKCBKCQOUJKN-DZGCQCFKSA-N 331.460 3.693 0 50 EHAA COC(=O)[C@@H]1C[N@]1C(c1ccccc1)(c1ccccc1)c1ccccc1 1857522671 QGSITPKXYQEFIR-URXFXBBRSA-N 343.426 3.836 0 50 EHAA CC(C)c1nc(C=Cc2cncc(Br)c2)ncc1C(=O)O 1857530044 WDSYPPBKPMQPTJ-UHFFFAOYSA-N 348.200 3.626 0 50 EHAA CC[C@@H]1CCC[C@]1(C)C(=O)N1CCc2cc(CCC(=O)O)ccc2C1 2325775225 LRQVKRPTDJGEEK-NQIIRXRSSA-N 343.467 3.805 0 50 EHAA O=Cc1ncc(Br)cc1OCc1ccc2ccncc2c1 2325895287 SIMUHKRBHOTOKA-UHFFFAOYSA-N 343.180 3.784 0 50 EHAA CC(C)(C)OC(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 45409 YVSRUFIRNJGGAT-CYBMUJFWSA-N 339.697 3.852 0 50 EHAA CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccc(Cl)cn1 193038 OOYBLRFMJPDARD-LBPRGKRZSA-N 336.848 3.651 0 50 EHAA CC(=O)c1ccc(COC(=O)c2ccccc2NC(=O)C(C)C)cc1 613854 NFLUAHBRZVAOQC-UHFFFAOYSA-N 339.391 3.841 0 50 EHAA CC1CCN(c2ccccc2NC(=S)NC(=O)C(C)(C)C)CC1 616084 QXDHZSDBHOMNNW-UHFFFAOYSA-N 333.501 3.782 0 50 EHAA O=C1c2ccccc2C(=O)N1CCc1csc(Nc2ccccc2)n1 1384529 PVCXIBHOKIHPHL-UHFFFAOYSA-N 349.415 3.725 0 50 EHAA COc1cccc(C(=O)c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)c1 2585615 JXPCKBBREBOFKN-UHFFFAOYSA-N 346.597 3.807 0 50 EHAA Cc1c(CCC(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 4045126 PLOVHSNHAJMCGX-UHFFFAOYSA-N 326.348 3.744 0 50 EHAA biogenic COC(=O)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 4343266 BEYXQOAQUIFIMR-UHFFFAOYSA-N 327.767 3.699 0 50 EHAA CCCN1C(=O)[C@](O)(CC(=O)c2ccccc2Cl)c2ccccc21 4784396 DAECDEKXNOVKNY-IBGZPJMESA-N 343.810 3.557 0 50 EHAA Cc1cc(=O)oc2cc(NC(=S)N3C[C@@H](C)C[C@H](C)C3)ccc12 6399701 GXFYWXNKLZRAAG-RYUDHWBXSA-N 330.453 3.776 0 50 EHAA C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3)c2)C[C@H](C)O1 6730230 NMCNIOMQGHJKDS-HOTGVXAUSA-N 325.408 3.515 0 50 EHAA C[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1 8576355 RJAAJWTUVISGCN-INIZCTEOSA-N 340.442 3.915 0 50 EHAA Cc1ccccc1CCN1CCC[C@@H](CN(C)Cc2cccnc2)C1 11937757 ZMYBSFFDIIGADH-NRFANRHFSA-N 337.511 3.777 0 50 EHAA CC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2cc(OC)ccc2O1 12279438 MZQJVMBJSQDAST-QGZVFWFLSA-N 327.424 3.877 0 50 EHAA O=C(c1cc(F)c(F)cc1Cl)N1CCN(C2CCCCC2)CC1 13325954 IGKCHVGQFQGYOV-UHFFFAOYSA-N 342.817 3.709 0 50 EHAA Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCCC2)o1 15860220 QKZAQFUMKBDNIA-INIZCTEOSA-N 332.831 3.808 0 50 EHAA COc1ccc(NC[C@]2(c3ccc(F)cc3)CCOC2)cc1OC 19853784 ARHXGPNHFREHPC-LJQANCHMSA-N 331.387 3.613 0 50 EHAA Cc1cccc(NC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1 20408275 UIOIAHKMTCVRQC-UHFFFAOYSA-N 343.858 3.998 0 50 EHAA CNC(=O)c1ccc(NC(=O)CCCc2ccc(Cl)cc2)c(C)c1 44523969 HFBWOMKSDXXUDX-UHFFFAOYSA-N 344.842 3.969 0 50 EHAA Brc1ccc(CN2CCN(c3ccccc3)CC2)cc1 55543514 WRAPDKOLIXFVMT-UHFFFAOYSA-N 331.257 3.771 0 50 EHAA c1ccc(COc2cccc(-c3nccn3Cc3cccnc3)c2)nc1 67459276 VYTGVYUZEWIXBH-UHFFFAOYSA-N 342.402 3.967 0 50 EHAA O=C(O)c1ccccc1CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 67774157 YALALDCDKKHNHD-HNNXBMFYSA-N 349.434 3.716 0 50 EHAA CCN(CC)C(=O)[C@H](C)C1(O)c2ccccc2CCc2ccccc21 71770007 BHHHROUZUPSOTH-INIZCTEOSA-N 337.463 3.526 0 50 EHAA COCCC[C@@H]1CCCCN1C(=O)c1ccccc1N1CCCC1 82108300 NYLWKTAZMISGFY-KRWDZBQOSA-N 330.472 3.708 0 50 EHAA C[C@@H](NC(=O)N1CCC(c2nccn2C)CC1)c1ccc(Cl)cc1 91665602 FSMHHJHHWYWGGB-CYBMUJFWSA-N 346.862 3.724 0 50 EHAA Cn1ccc2ccc(C(=O)N[C@H](Cn3cccn3)c3ccccc3)cc21 95512931 GSQBJKQVMRBBQM-LJQANCHMSA-N 344.418 3.546 0 50 EHAA ClC1=C(Cl)[C@@]2(Cl)[C@H]3C=CC=C[C@@H]3[C@@]1(Cl)C21OCCO1 100693693 VYMWZHZIYFBOHN-OSTYVCCYSA-N 340.033 3.760 0 50 EHAA C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1nc(-c2ccccc2)ns1 117614736 VDYFTGYZTVSCDM-NHYWBVRUSA-N 337.404 3.708 0 50 EHAA C[C@@H](Nc1ncnc2sc3c(c12)CCCC3)C(C)(C)CN(C)C 170639392 AWWDPZUJBFYWJB-GFCCVEGCSA-N 332.517 3.958 0 50 EHAA OCCc1cn(Cc2csc(C3CCCC3)n2)nc1C(F)(F)F 180451233 DMEXNNOCLKVDLU-UHFFFAOYSA-N 345.390 3.599 0 50 EHAA COc1ccc(-c2ccncc2)cc1CNc1nnc(CC(C)C)o1 187601891 JRYCTUICPFXGQG-UHFFFAOYSA-N 338.411 3.951 0 50 EHAA O=C(CC1CCC2(CC1)OCCO2)N(c1ccccn1)C1CCCC1 191198671 CQKISGVDDCMTPU-UHFFFAOYSA-N 344.455 3.681 0 50 EHAA CCNc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccncc1OC 191449165 ZTYUNLIWJRHIQI-NSHDSACASA-N 333.819 3.666 0 50 EHAA O=C(c1scc2c1CCCC2)N1CCC(Oc2cccnc2)CC1 219308561 IWYZAUQBTCFOCK-UHFFFAOYSA-N 342.464 3.706 0 50 EHAA CC(C)CC[C@@H](NCc1cccnc1N1CCOCC1)c1ccoc1 225632200 VCRFXZCPTHJABP-LJQANCHMSA-N 343.471 3.778 0 50 EHAA Cc1cc(C(=O)Oc2ccc(-c3nnc4n3CCCC4)cc2)c(C)o1 225689351 OJLAFEFOMFYZPQ-UHFFFAOYSA-N 337.379 3.710 0 50 EHAA C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 229420080 WOCBPCFBTUDGOL-UXIGCNINSA-N 345.830 3.752 0 50 EHAA CCc1nccn1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 231420341 OXFICRBLFWTAEQ-UHFFFAOYSA-N 339.631 3.643 0 50 EHAA C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC12CCNCC2 237408168 PWQRXHCGHWLNHS-RISCZKNCSA-N 341.282 3.903 0 50 EHAA O=C(CCCN1CCc2ccccc21)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 242284698 YJAFZTVHCPOTMW-WTIAFYNJSA-N 346.474 3.674 0 50 EHAA CCN(C(=O)c1cnn(C)c1SC)c1ccc(C(F)(F)F)cc1 252495606 OUKYUTHDPKTCDC-UHFFFAOYSA-N 343.374 3.828 0 50 EHAA CO[C@H](C)c1nsc(N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)n1 253398600 XSZQJEPBJMKLCC-BXUZGUMPSA-N 349.431 3.626 0 50 EHAA Cc1cccc(C(=O)N2CCCN(CC34CCC(CC3)C4)CC2)c1 253429070 MHDLFKMEBNLPJW-UHFFFAOYSA-N 326.484 3.723 0 50 EHAA CC(C)(C)c1nnc2ccc(N3CC[C@H](c4cccc(F)c4)C3)nn12 274801530 KECLXTOICPQSAO-AWEZNQCLSA-N 339.418 3.555 0 50 EHAA Cc1ccc(-c2csc(NC(=O)c3cc4n(n3)CCC4)n2)c(C)c1 294542986 ICZTYNXUPXNZSS-UHFFFAOYSA-N 338.436 3.822 0 50 EHAA CCCC[C@H]1C=CCN1C(=O)Nc1cc(-n2cnnc2)ccc1C 299756174 IWSYIFOEDNJORS-HNNXBMFYSA-N 325.416 3.538 0 50 EHAA Cc1cc(NC(=O)NCCCc2ccc(O)cc2)n([C@H](C)C2CC2)n1 299775758 JCCZJHUHMGYXMQ-CQSZACIVSA-N 342.443 3.622 0 50 EHAA CCCc1nc(C)c(-c2nc([C@H](Cc3ccccc3)OC)no2)o1 453207999 ACEDPKQUYGBGNU-AWEZNQCLSA-N 327.384 3.916 0 50 EHAA O=C(c1ccc(-c2ccccc2)cc1)N1CC2(CCC2)[C@H]2COC[C@H]21 458010760 QWJKBPAIMIQEGR-VQTJNVASSA-N 333.431 3.995 0 50 EHAA CC(C)c1noc(CN[C@H](c2ccccc2)C2(CO)CCCC2)n1 459529477 MAVLOFJNLFTDRH-QGZVFWFLSA-N 329.444 3.577 0 50 EHAA CC(C)c1cc(CNC(=O)c2ccc(CN3CCCCC3)cc2)on1 603852078 FOWMMPTVWIEEIZ-UHFFFAOYSA-N 341.455 3.714 0 50 EHAA CC(C)C[C@@H]1C[C@H]1c1nc(-c2ccc(N3CCCNC3=O)cc2)no1 665045056 BZPCHXTUHUSYJL-GDBMZVCRSA-N 340.427 3.806 0 50 EHAA O=C(CCc1ccccc1C(=O)O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 668304070 CHSISMRQVLOZOB-DLBZAZTESA-N 343.810 3.643 0 50 EHAA CC(C)c1ncc(C(=O)NCc2ccc(-c3ccnn3C)cc2)s1 685939828 WHNXQEFUEGEETN-UHFFFAOYSA-N 340.452 3.597 0 50 EHAA CN(C(=O)C[C@H]1CCNC[C@@H]1F)c1ccc(Oc2ccccc2)cc1 888101851 PNLBINQLSTWINK-BEFAXECRSA-N 342.414 3.779 0 50 EHAA COC1(c2nc(-c3ccc(-n4cccn4)nc3)no2)CCCCCC1 903972273 ZDXRYULNVWLWCT-UHFFFAOYSA-N 339.399 3.513 0 50 EHAA CN1CC[C@@H](CNC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1 933827886 YGZHOHANNZFPGB-HNNXBMFYSA-N 348.450 3.908 0 50 EHAA C[C@]12C[C@@H]1CN(Cc1cc(Cl)ccc1OCCCn1ccnc1)C2 1775982213 LYTQEEXUDRMXHW-VQIMIIECSA-N 345.874 3.847 0 50 EHAA Cc1ccc(-c2nccn2C[C@H](CO)Cc2ccco2)c2cccnc12 1857674690 UAGWTXWFGGROFB-MRXNPFEDSA-N 347.418 3.851 0 50 EHAA CCCn1ncnc1[C@@H](C)n1ccnc1-c1ccc2ncccc2c1 1857695245 ASQDTDALLGUNDK-CQSZACIVSA-N 332.411 3.709 0 50 EHAA Cc1nccn1-c1ccc(F)cc1CNC(=O)N(C)[C@H]1CC[C@H](C)C1 1875263727 GZHXMRPGPRBRKJ-GUYCJALGSA-N 344.434 3.650 0 50 EHAA Cc1cccc([C@H](CN)C(=O)N2C[C@H](c3ccccc3C)C[C@H]2C)c1 1875316826 IBSWHVBIIXKJON-QFUCXCTJSA-N 336.479 3.750 0 50 EHAA O=C(c1csc2nccn12)N1C[C@H]2CCCC[C@]21c1ccccc1 1875336419 ZPZQBCHGSLMDBV-BEFAXECRSA-N 337.448 3.937 0 50 EHAA Clc1cc2ccccc2c(=NC[C@H]2COc3ccccc3O2)[nH]1 1875337176 PQCPXUMCNOJMFL-ZDUSSCGKSA-N 326.783 3.562 0 50 EHAA O=C(Cc1ccccc1OCc1ccccc1)Nc1ccnc(O)c1 1940196865 ADPYGYPJEGYHFG-UHFFFAOYSA-N 334.375 3.547 0 50 EHAA COc1ccnc(O)c1C(=O)N[C@H](C)c1ccccc1-c1ccccc1 2325719587 MMQXTKCWBOVXMG-CQSZACIVSA-N 348.402 3.954 0 50 EHAA O=C(O)Cc1cccc(C(=O)N(Cc2ccccc2Cl)C2CC2)c1 2325775240 MIHBPAPKRAILJN-UHFFFAOYSA-N 343.810 3.772 0 50 EHAA CC(C)(C)n1ccnc1CNC[C@H](O)c1cc2ccccc2s1 2325806150 ZJVIASXCRFUNCD-AWEZNQCLSA-N 329.469 3.676 0 50 EHAA Brc1cncc(N2CC[C@]3(CCc4ccccc43)C2)c1 2325854498 HBAVCBAADSZMOW-QGZVFWFLSA-N 329.241 3.938 0 50 EHAA COc1ccc(-c2cc(CN3CCC[C@@H](OC)C3)ccn2)cc1F 2356148840 VVRYUFGQKZLZKR-MRXNPFEDSA-N 330.403 3.507 0 50 EHAA Cc1cc(NC(=O)CCN2CCCCCC2)ccc1Br 176182 XVQRNGIMMISOSA-UHFFFAOYSA-N 339.277 3.962 0 50 EHAA CC(=O)NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl 201028 BWMKFZLTXSRFQA-UHFFFAOYSA-N 345.805 3.556 0 50 EHAA COc1cc(OC)cc(C(=O)NCc2ccc(C(C)(C)C)cc2)c1 311720 PWJUDOQAUMYSFJ-UHFFFAOYSA-N 327.424 3.931 0 50 EHAA COc1cccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)c1 361086 WSDXZYBBMUDCAB-UHFFFAOYSA-N 336.416 3.975 0 50 EHAA COc1ccc(NC(=S)NC(=O)c2cccs2)cc1Cl 455018 VJYDJHJXRZEHHK-UHFFFAOYSA-N 326.830 3.537 0 50 EHAA CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1ccc(F)cc1 465014 ATWHOOBWCBHEAH-UHFFFAOYSA-N 335.806 3.995 0 50 EHAA COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 465322 REZOEQWPKQJIEE-AWEZNQCLSA-N 329.396 3.727 0 50 EHAA CCc1c(C)sc(NC(=O)Cc2ccc(OC)cc2)c1C(=O)OC 475860 XPCXPUHLHQDQMG-UHFFFAOYSA-N 347.436 3.595 0 50 EHAA CC[C@H](C)Sc1nc2ccc(NC(=O)/C=C/C(=O)O)cc2s1 1573710 ZYNLXGWOIYOXPN-UCUJLANTSA-N 336.438 3.766 0 50 EHAA COc1ccc(Br)cc1-c1noc(-c2ccncc2)n1 2330800 RVXINXXVYCGNAB-UHFFFAOYSA-N 332.157 3.570 0 50 EHAA CCCCc1c(C)nc(N)nc1N1N=C1SCc1ccccc1 2876231 CUIMIPRVTGNQSR-UHFFFAOYSA-N 327.457 3.734 0 50 EHAA Cc1cc(NC[C@H]2CCCO2)n2ncc(-c3ccccc3Cl)c2n1 5324757 RZKUMQWKGDDKOA-CYBMUJFWSA-N 342.830 3.949 0 50 EHAA CN1CCC(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1 6007760 DWDVPTQFMDYVRM-AWEZNQCLSA-N 334.529 3.723 0 50 EHAA Cc1c(C)n(-c2cccnc2)c2ncn3nc(-c4ccccc4)nc3c12 6671935 WOIMRNRJSLIDJY-UHFFFAOYSA-N 340.390 3.747 0 50 EHAA COc1ccc(-c2noc(CNC(=O)CCC3CCCCC3)n2)cc1 6674744 AJKJLXMSLRUARP-UHFFFAOYSA-N 343.427 3.722 0 50 EHAA CCCOc1ccc(-c2nonc2NC(=O)c2cccs2)cc1 6698116 LJZVDFQAGMDRCN-UHFFFAOYSA-N 329.381 3.839 0 50 EHAA CSc1cccc(NC(=O)Nc2c(O)c3ccccc3oc2=O)c1 6745895 RZMACAUMPBSJEM-UHFFFAOYSA-N 342.376 3.865 0 50 EHAA CCc1cccc(C)c1NC(=O)CSc1nc2ccncc2[nH]1 6752353 XFDSYYCPBAVADY-UHFFFAOYSA-N 326.425 3.560 0 50 EHAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1c(F)cccc1F 12137897 IZJZTMRXMBNCGN-AWEZNQCLSA-N 333.334 3.775 0 50 EHAA CC(C)c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1 12382865 DATRAYISCWTGJC-UHFFFAOYSA-N 332.444 3.973 0 50 EHAA CC(C)CC(=O)Nc1ccnn1C1CCN(C[C@@H]2CC=CCC2)CC1 14971916 NQTVLPJAGRQXGN-QGZVFWFLSA-N 344.503 3.861 0 50 EHAA Cc1ccc(C[C@H](C)CC(=O)NCCc2ccc3c(c2)OCO3)cc1 15799219 KQFOZDRSWAOUMJ-INIZCTEOSA-N 339.435 3.651 0 50 EHAA Cc1ccc(-c2nn3c(NC[C@@H]4CCCO4)cc(C)nc3c2C)cc1 40216949 MFIAHKRFOBJSGJ-KRWDZBQOSA-N 336.439 3.912 0 50 EHAA c1cncc(-c2cn(C3CCN(C4CCCCCC4)CC3)nn2)c1 55198993 GYTCLDBUIQIQJM-UHFFFAOYSA-N 325.460 3.700 0 50 EHAA COc1ccc2cc([C@H]3CN(CCc4ccccn4)CCO3)ccc2c1 71747940 QJZBYVJVXOHUKO-JOCHJYFZSA-N 348.446 3.859 0 50 EHAA O=C(O)C1(Cc2ccccc2)CCN(c2nccc3occc23)CC1 71768057 JMACXNJKVIZFAX-UHFFFAOYSA-N 336.391 3.742 0 50 EHAA CC[C@H]1CN(Cc2cc(Cl)c(OC)cc2OC)CCN1C(C)C 72149355 QTZVNEJTGUPMCP-HNNXBMFYSA-N 340.895 3.662 0 50 EHAA O=C(c1ccoc1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 77389126 MAAXXULLKQSSPI-UHFFFAOYSA-N 339.370 3.829 0 50 EHAA CC[C@H](NC(=O)c1c[nH]nc1-c1cccc(F)c1)c1nccs1 91808379 MJLVJJRIJJSRSE-ZDUSSCGKSA-N 330.388 3.553 0 50 EHAA O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@@H]1c1ccccn1 91876436 XDXOTOAQJAFBNI-GOSISDBHSA-N 345.406 3.593 0 50 EHAA CC(C)n1cc(NC(=O)N2CCCC[C@H]2CCc2ccccn2)cn1 97360297 IIPMPINIGMXTKP-SFHVURJKSA-N 341.459 3.878 0 50 EHAA CCN1CCCC[C@@H]1C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 97713678 IYMKUHQLXYVTSR-LJQANCHMSA-N 325.456 3.533 0 50 EHAA O=C(Nc1ccncc1F)C1(c2cccc(Cl)c2)CCOCC1 132150956 RPKUCMIBSNUCTE-UHFFFAOYSA-N 334.778 3.561 0 50 EHAA Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCc4[nH]ncc43)cn2)cc1 134610758 SUSHVUHXQCZQBL-MRXNPFEDSA-N 348.406 3.964 0 50 EHAA CC1(C)C[C@@H](NC(=O)c2ccc(Oc3cccnc3)cc2)CCO1 155609532 VJIQHKRNTOXTKP-HNNXBMFYSA-N 326.396 3.561 0 50 EHAA O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC[C@H](C(F)(F)F)C1 172728893 AMLWCQSWNUXGLV-XHVZSJERSA-N 333.300 3.869 0 50 EHAA Cc1ccc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)c(C)n1 176709187 MTLKZTYCNSDHMH-PKOBYXMFSA-N 339.439 3.988 0 50 EHAA CC(C)Cn1ncc(C(=O)N[C@@H]2CCOc3ccccc32)c1C(F)F 179347449 NHXHUZIXXHNQBV-CQSZACIVSA-N 349.381 3.730 0 50 EHAA CC[C@@H](O)CN(Cc1ccccc1)Cc1c[nH]c(-c2ccccc2)n1 179947870 ZEDYSMGWLYPGOM-HXUWFJFHSA-N 335.451 3.850 0 50 EHAA O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1coc(CC2CC2)n1 184312143 TVPSLPJBCGVEJA-CYBMUJFWSA-N 332.787 3.534 0 50 EHAA Cc1nc2ccc(NC(=O)Nc3cnn([C@H](C)C4CC4)c3)cc2o1 188495718 NYNWJIVTZOYELO-SNVBAGLBSA-N 325.372 3.948 0 50 EHAA O=C(Nc1ccc2c[nH]nc2c1)c1cccc(NC(=O)c2ccco2)c1 193593689 YOALZKQSEONAFW-UHFFFAOYSA-N 346.346 3.661 0 50 EHAA COc1ccccc1-c1ccc(C(=O)NCCC[C@@H]2CCOC2)cc1 220026154 QKUQLUMTQCMSST-MRXNPFEDSA-N 339.435 3.909 0 50 EHAA CNc1nc(CNC(=O)N(C)c2cc(Cl)cc(Cl)c2)cs1 225460260 DUQGUXUNUPGIKO-UHFFFAOYSA-N 345.255 3.838 0 50 EHAA CN(Cc1cc(-c2cccnc2)no1)Cc1nc2ccccc2s1 244719095 LWTVGZOHOVFSEV-UHFFFAOYSA-N 336.420 3.978 0 50 EHAA CN(C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@@H]1CCOC1 271277181 LEWZGIFMIWNAIX-CABCVRRESA-N 342.361 3.587 0 50 EHAA COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)CC1 280678430 QJXSOSDNNYIJLZ-JFIYKMOQSA-N 347.430 3.859 0 50 EHAA CCOC1(C)CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 298319326 QRFMDHJJRRGKPL-UHFFFAOYSA-N 344.480 3.770 0 50 EHAA CC(C)(C)n1cnc(C(=O)NCC(c2ccccc2)c2ccccc2)n1 359840332 DBACGWWKNGDBRJ-UHFFFAOYSA-N 348.450 3.595 0 50 EHAA COc1ccc(Cl)cc1Cn1nc(C)c([C@H]2CCCC(=O)N2)c1C 408525070 JVTHRSPZFOEXOH-OAHLLOKOSA-N 347.846 3.551 0 50 EHAA Cc1ccc([C@H]2CCCN2C(=O)NCC2(CF)CCOCC2)cc1 455382782 QVYGVMOGSBILFC-QGZVFWFLSA-N 334.435 3.608 0 50 EHAA O=C(Nc1ccccc1)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 899462922 ZVYMSGXYPIJBSH-LIRRHRJNSA-N 338.411 3.533 0 50 EHAA CCC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1O 1209231438 SWLBPRQWLCVXOU-YPMHNXCESA-N 331.865 3.683 0 50 EHAA CN(CCn1ccc2ccccc21)Cc1cc(-c2cccnc2)no1 1506400083 TVWGRMVPOZBRND-UHFFFAOYSA-N 332.407 3.823 0 50 EHAA CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)c1cnc(O)c(Cl)c1 1506430597 XNLCZFPXTRAQFE-IBGZPJMESA-N 344.842 3.881 0 50 EHAA Cc1cc(C)c(CC(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c(C)c1 1529105139 WUEMAUCMLSFBGF-FGYAAKKASA-N 342.527 3.732 0 50 EHAA C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2ccccc2C(F)F)cn1 1875281272 ZGQPYAGUQDKFSB-JTQLQIEISA-N 341.383 3.593 0 50 EHAA CCC[C@H](CC1CCCC1)C(=O)Nc1ncc(C(=O)OC)cc1O 1875347580 QIGBPUTVWAUJNL-CYBMUJFWSA-N 334.416 3.509 0 50 EHAA O=C(NC[C@@]12CCCN[C@H]1CCC2)c1ccc2ncccc2c1Cl 2325779251 SARQSKLSNXTOIN-QFBILLFUSA-N 343.858 3.540 0 50 EHAA C[C@@H](Cc1cccnc1)OC(=O)CCc1ccc2ncsc2c1 2325813479 HLNLDJFKNXMPAZ-ZDUSSCGKSA-N 326.421 3.798 0 50 EHAA O=c1ccc2ccc(OCc3cc4c(cc3Cl)OCO4)cc2o1 91124 OMQRYOQXLBLIMW-UHFFFAOYSA-N 330.723 3.754 0 50 EHAA biogenic CCOC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1 120547 UXAIXCWRSFMNPG-UHFFFAOYSA-N 348.196 3.878 0 50 EHAA CCC1=NN(C(=O)c2ccccc2Cl)[C@@](O)(c2ccccc2)C1 324104 VAUVISZHDWBMSA-SFHVURJKSA-N 328.799 3.797 0 50 EHAA O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 374408 RCWXNQPZQYFGJJ-DTWKUNHWSA-N 347.749 3.953 0 50 EHAA Brc1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1 468308 DWNPVOAMBLSFBH-UHFFFAOYSA-N 345.152 3.895 0 50 EHAA O=C(NC(c1ccccc1)c1ccccc1)[C@H]1COc2ccccc2O1 534787 FNMWTKMIUGTBPG-HXUWFJFHSA-N 345.398 3.732 0 50 EHAA CCOc1ccc(NC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 609675 ZVIRWINUYJBDTI-UHFFFAOYSA-N 327.384 3.712 0 50 EHAA O=C(N[C@H]1C=C[C@@H](C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 2243686 IWMUNNGMJRKNSV-KGLIPLIRSA-N 349.386 3.554 0 50 EHAA CC(C)OCCCNC(=O)C1c2ccccc2Oc2ccccc21 2876588 MZOHEQMACMEQQU-UHFFFAOYSA-N 325.408 3.856 0 50 EHAA COc1cccc(C=O)c1OCCCOc1cccc2cccnc12 4842235 CALGLCJSAWODOR-UHFFFAOYSA-N 337.375 3.904 0 50 EHAA C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3)cc2)C[C@H](C)O1 4870093 NETOYMOKAKXFFR-HOTGVXAUSA-N 325.408 3.515 0 50 EHAA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccccc2F)CC(=O)N1 4913447 OGJLWWCWFADJLE-MRXNPFEDSA-N 345.414 3.969 0 50 EHAA CC[C@H]1CCc2nc3sc(C(=O)N(CC)CC)c(N)c3cc2C1 6710430 GVLPRGCTWIPION-NSHDSACASA-N 331.485 3.875 0 50 EHAA CCn1ncc(CN2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c1C 12208013 ROWBJQWQWDSWPC-FQEVSTJZSA-N 326.488 3.905 0 50 EHAA COc1ccc(C[C@@H](C)NC2CCN(Cc3ccccc3)CC2)cc1 12383621 WZGMOGNJPLKFLD-GOSISDBHSA-N 338.495 3.880 0 50 EHAA CCn1cc(C(=O)N2CCC[C@@H](CCc3ccccc3F)C2)cn1 12469432 HKSKHMIDHNEOPE-HNNXBMFYSA-N 329.419 3.527 0 50 EHAA COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1O 13689511 QJOCXZVBGRBJNF-GDNBJRDFSA-N 327.361 3.642 0 50 EHAA Cc1cc(C)c(C(=O)N2CCCC[C@@H]2CCN2CCCC2=O)cc1C 19839563 QFHJJPZMBLMSCT-GOSISDBHSA-N 342.483 3.619 0 50 EHAA Cc1cnc(N2CCC[C@@H](c3ccccc3)C2)nc1-c1cnn(C)c1 19951973 HVYMOOLYVPKXIY-QGZVFWFLSA-N 333.439 3.570 0 50 EHAA c1cc2c(cc1CN1CCN3CCC[C@@H]3[C@H]1C1CCCCC1)OCO2 22078097 KHJGVIHWNXKXPN-WIYYLYMNSA-N 342.483 3.644 0 50 EHAA COc1ccc(CN[C@@H]2CCCN(CC3CCCCC3)C2)cc1F 23373125 MTTNCEAOECIPGF-GOSISDBHSA-N 334.479 3.969 0 50 EHAA O=C1C[C@@H](c2ccc(F)cc2Cl)c2ncn(-c3cccnc3)c2N1 40286803 SYHSTAFVPLIEGD-ZDUSSCGKSA-N 342.761 3.534 0 50 EHAA COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1OC 55543158 WIYKDSJZNWYSGC-UHFFFAOYSA-N 346.858 3.679 0 50 EHAA CCOC(=O)[C@H]1CCCCN1Cc1ccc(F)c(Br)c1 55543670 IOLOSEYDGIUBQL-CQSZACIVSA-N 344.224 3.506 0 50 EHAA Cc1cc(NC(=O)OC(C)(C)C)ccc1I 65336860 ZIHVBSTUTDALJV-UHFFFAOYSA-N 333.169 3.947 0 50 EHAA O=C(c1cc2sccc2[nH]1)N1CCO[C@@H](c2ccc(F)cc2)C1 67604500 LEFPQDBDZBZNFE-OAHLLOKOSA-N 330.384 3.582 0 50 EHAA Cc1[nH]c2ccccc2c1CC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67772169 ZIRJRYYEMCWYJW-UHFFFAOYSA-N 348.450 3.649 0 50 EHAA CCCn1nccc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 71405581 GDSBLLUWMDZRON-MRXNPFEDSA-N 343.446 3.917 0 50 EHAA O=C(NCc1cccnc1)c1cc(N2CCCCCCCC2)ccn1 71753663 SJOYCNJSGBPZQK-UHFFFAOYSA-N 338.455 3.567 0 50 EHAA O=C1CCCN1CC[C@@H]1CCCCN1Cc1cc(F)cc(Cl)c1 77427835 HIFSXRZQCGVARH-KRWDZBQOSA-N 338.854 3.846 0 50 EHAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1CC 77505333 CMJOJQYTZPIUML-CQSZACIVSA-N 342.439 3.678 0 50 EHAA CN1C[C@@H](c2ccccc2)CC2(CCN(Cc3cscn3)CC2)C1 92081315 XSOOLSQOCWPWHD-SFHVURJKSA-N 341.524 3.845 0 50 EHAA Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cc1 95382144 CKCGHBZWSKSZCQ-TZIWHRDSSA-N 334.463 3.732 0 50 EHAA c1ccc(COc2ccccc2Cc2nc([C@@H]3CCOC3)no2)cc1 96149011 NRHGGCHQYCPHDU-QGZVFWFLSA-N 336.391 3.743 0 50 EHAA CC[C@@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1ccc(F)cc1 97213154 RJEILIBNCMNCME-QGZVFWFLSA-N 336.370 3.559 0 50 EHAA Cc1cscc1NC(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O 124410731 ISEUNBQIJVOCCT-INIZCTEOSA-N 343.452 3.716 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)Nc1cccc(Cn2cccn2)c1 137118219 OFJASNHMVMARGE-UHFFFAOYSA-N 337.383 3.749 0 50 EHAA CN(Cc1ccco1)C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 175421792 FOACPABEAFGVTI-CQSZACIVSA-N 347.846 3.743 0 50 EHAA CCC1(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCC1 175684016 DAHQRYROYCWBOF-UHFFFAOYSA-N 325.412 3.924 0 50 EHAA Fc1ccc([C@H]2CN(Cc3ccc4cn[nH]c4c3)CCO2)c(Cl)c1 187505239 YLHDLQXOWNDSKF-GOSISDBHSA-N 345.805 3.929 0 50 EHAA CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@@H](c1ccc(Cl)cc1)c1ncccn1 195534852 JYDFMVYUHJGUNZ-INMHGKMJSA-N 341.842 3.724 0 50 EHAA Cc1nc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)c(C)s1 215179956 CEUHWJLCQVPYMB-NSHDSACASA-N 340.452 3.983 0 50 EHAA Cc1ccc(C2(C(=O)NC[C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 223388581 LMFNSAMGAXRNLF-HXUWFJFHSA-N 348.490 3.665 0 50 EHAA Cc1ccc(-c2ccc(C(=O)NC3CCC(N)CC3)c(F)c2)cc1 237714232 FQOPMKKZLGHMCN-UHFFFAOYSA-N 326.415 3.801 0 50 EHAA O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 239287340 CQAKHYZWTCUJJW-YXUGBTPSSA-N 349.386 3.940 0 50 EHAA Cc1csc(SCC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)n1 244678400 ICBRQZGFOBOSBU-CYBMUJFWSA-N 336.457 3.699 0 50 EHAA C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H]1CCc1ccccc1 252679911 SWOJKJVUWHYUIQ-NSHGMRRFSA-N 328.500 3.873 0 50 EHAA Nc1nc(CCNc2nc(-c3ccccc3)nc3ccccc23)cs1 253428961 MDEINRGAKKEPKL-UHFFFAOYSA-N 347.447 3.990 0 50 EHAA Cc1ccc([C@]2(C(=O)N(C)CCC3(O)CCCC3)CC2(C)C)cc1 299761176 VSVLLKPGIRKGNO-NRFANRHFSA-N 329.484 3.816 0 50 EHAA C[C@@H](CC(=O)NCC1(c2ccccc2F)CCCC1)n1ccnc1 299770930 OBTYOBPIEUFVIG-HNNXBMFYSA-N 329.419 3.602 0 50 EHAA Cc1cc(-c2ccnc(-n3ncc(C(=O)O)c3C3CC3)n2)c(C)s1 299774134 AXIMKPPTNSBLIV-UHFFFAOYSA-N 340.408 3.583 0 50 EHAA CCc1cccc2c(C3CCN(c4ccncc4C(N)=O)CC3)c[nH]c12 302238667 WUUDLPGMKYVTDD-UHFFFAOYSA-N 348.450 3.608 0 50 EHAA COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)[C@H]2CCOC2)cc1 328587390 KYXOHIMXBUTKST-QAPCUYQASA-N 339.435 3.918 0 50 EHAA O=C(c1cc(F)c(F)c(O)c1F)N1CC[C@@H](c2ccc(F)cc2)C1 328587481 ZRAIZOSYAYOPJW-SNVBAGLBSA-N 339.288 3.578 0 50 EHAA O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCc2ccc(O)cc2C1 332157214 UNVNZOVEKGGLCD-OAHLLOKOSA-N 342.361 3.581 0 50 EHAA O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N1CCC[C@H]1C1CC1 366162618 HIZIVSWQPGGHCJ-HNNXBMFYSA-N 349.356 3.906 0 50 EHAA Cc1nc2c(C)cccc2cc1C(=O)N1CCC[C@@H](c2ccncn2)C1 426420463 UZIPHGIRLMWECR-QGZVFWFLSA-N 346.434 3.661 0 50 EHAA C[C@]1(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)CC=CCC1 449991293 USZXEBBXYIXDAX-INIZCTEOSA-N 341.377 3.881 0 50 EHAA COC[C@@H]1CCCN(C(=O)Nc2cnc(C(F)(F)F)cc2C)CC1 455492341 YIDBOQMBGAIKOS-GFCCVEGCSA-N 345.365 3.689 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)NCCc1cn2ccccc2n1 497839710 QJBWUSNGPLHAMU-UHFFFAOYSA-N 337.467 3.600 0 50 EHAA C[C@H]1COCCN(c2ccnc3cc(OC(F)(F)F)ccc23)C1 899877799 WOXIIZOEGQTBAR-LLVKDONJSA-N 326.318 3.606 0 50 EHAA CC(C)c1nc(-c2nccn2Cc2noc(-c3ccccc3)n2)co1 1857695130 VHQSKGZKCMDDHW-UHFFFAOYSA-N 335.367 3.760 0 50 EHAA c1ccc(COc2ccc(-c3nccn3C3CCOCC3)cc2)nc1 1857706463 UEMHPLREJURYSO-UHFFFAOYSA-N 335.407 3.876 0 50 EHAA CN(Cc1cccc(-c2cc[nH]n2)c1)C1CCN(c2ccccn2)CC1 2325719776 KFFWXLHJJGMGCU-UHFFFAOYSA-N 347.466 3.573 0 50 EHAA Cc1cccc(C(=O)Nc2nnc(Cc3ccccc3F)s2)c1 435541 KAYJKJGYCMAIAL-UHFFFAOYSA-N 327.384 3.829 0 50 EHAA COc1ccccc1CN(C)c1noc(-c2ccccc2)c1C(=O)O 2356140398 HPMPYWWSOGRUIZ-UHFFFAOYSA-N 338.363 3.685 0 50 EHAA CCCc1cc(NC[C@@H]2CCCO2)n2ncc(-c3ccccc3)c2n1 7636170 KSOXOXWXSMTLMX-KRWDZBQOSA-N 336.439 3.940 0 50 EHAA Cc1occc1C(=O)Nc1ccccc1C(=O)Nc1nccs1 8909267 AYDQZIYPUPNMQV-UHFFFAOYSA-N 327.365 3.549 0 50 EHAA COCc1cc(C)nc2sc(C(=O)N[C@H]3CCCC[C@H]3C)c(N)c12 9236132 ZCWIVTULPZWVHG-MFKMUULPSA-N 347.484 3.642 0 50 EHAA Cn1c(SCc2ccccc2)nnc1-c1ccc2c(c1)OCCO2 9699454 HCRAYHIERGUNGI-UHFFFAOYSA-N 339.420 3.546 0 50 EHAA O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1C[C@@H]2CCC[C@H](C1)C2=O 247709618 IFIUWVMLMVJCGA-YJBUHQLJSA-N 331.378 3.619 0 50 EHAA CN(Cc1cccs1)C[C@H](O)COCC1=CC[C@H]2C[C@H]1C2(C)C 248056730 YJBNDPFUABDJQZ-XYJFISCASA-N 335.513 3.550 0 50 EHAA CCCO[C@@H]1CCCN(Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 67722923 YEVXJZMEMCRYOG-MRXNPFEDSA-N 334.847 3.573 0 50 EHAA COc1ccc(-c2nnc(-c3cccc(F)c3)o2)c(OC)c1OC 23279687 QNFGPDRFUQEVJA-UHFFFAOYSA-N 330.315 3.569 0 50 EHAA CS[C@H](C)C(=O)NCc1cccnc1Oc1c(C)cccc1C 67473513 CPSRYFRJMGKSNL-CQSZACIVSA-N 330.453 3.858 0 50 EHAA COc1cc(C)c(NC(=O)N2CCCC[C@@H]2c2ccnn2C)cc1F 328587814 IOLWLOHBBCNHGI-MRXNPFEDSA-N 346.406 3.635 0 50 EHAA CCCc1cc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)ccn1 67868197 ADNVTHHHWLSKQG-SFHVURJKSA-N 344.842 3.901 0 50 EHAA O=C(Nc1cccc(-c2cn[nH]c2)c1)c1ccncc1C(F)(F)F 328589428 GMCKECDQIMLYKK-UHFFFAOYSA-N 332.285 3.743 0 50 EHAA C[C@H](C(=O)NCCCO[C@H]1CCCc2ccccc21)c1ccccn1 252495500 ORVVNTGHBZMJPI-JXFKEZNVSA-N 338.451 3.786 0 50 EHAA Cc1ccc(N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)nn1 71524221 HGSTZIANQIEVPZ-KRWDZBQOSA-N 339.439 3.672 0 50 EHAA O=C(CCCc1c[nH]c2ccccc12)N1CCC(c2ccncn2)CC1 219704789 BRRUMEZXZSOQJL-UHFFFAOYSA-N 348.450 3.687 0 50 EHAA CN(C)C(=O)c1ccc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)[nH]1 361084437 BNNDVGWTFYNROS-UWJYYQICSA-N 337.467 3.618 0 50 EHAA OC[C@]1(CCc2ccccc2)CCCN(C2Cc3ccccc3C2)C1 12471387 AKQPFJTXYNGMGO-QHCPKHFHSA-N 335.491 3.861 0 50 EHAA Cc1cccc([C@H](C(=O)O)C2CCN(C(=O)OC(C)(C)C)CC2)c1 259722231 LCUBRBABQQZOIT-MRXNPFEDSA-N 333.428 3.810 0 50 EHAA Oc1nnc(-c2nc([C@H]3CCCc4ccccc43)no2)c2ccccc12 341630750 UIDZVAFTZBZAHG-HNNXBMFYSA-N 344.374 3.854 0 50 EHAA O=C1Nc2ccccc2/C1=C1\C(=O)Nc2c1cccc2C(F)(F)F 32687704 TWGDGDVRRKCWQQ-OUKQBFOZSA-N 330.265 3.520 0 50 EHAA C[C@]1(CN)CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1 261945628 JRUMYHOTRBZHRZ-QGZVFWFLSA-N 334.872 3.879 0 50 EHAA COc1ccc([C@H]2C[C@H](NC(=O)c3cncc(Cl)c3)C2)cc1F 451491616 PSTZCOHXYLMLGO-YEORSEQZSA-N 334.778 3.559 0 50 EHAA Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 374439348 UUASTVRNFFMSBY-CABCVRRESA-N 334.485 3.608 0 50 EHAA CCc1noc(-c2ccc(-n3ccnc3-c3cccc(O)c3)cc2)n1 77339119 YEPCGISDRNUXHS-UHFFFAOYSA-N 332.363 3.857 0 50 EHAA Cc1cnccc1N1CCCN(C(=O)c2ccc(Cl)cc2F)CC1 82137486 YSXSTOTYEAPSSH-UHFFFAOYSA-N 347.821 3.535 0 50 EHAA O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccco3)cc(C(F)F)c12 20603543 DDOPODHFCLAYOL-UHFFFAOYSA-N 335.335 3.987 0 50 EHAA COc1ccc(F)cc1-c1cccc(-c2ccn(CCN(C)C)n2)c1 20906975 IJFLDAFGJWHOGO-UHFFFAOYSA-N 339.414 3.926 0 50 EHAA Cc1nc(CN2CCC(c3nccn3CC3CCC3)CC2)cs1 91445122 LMDVLKIJUZJSKC-UHFFFAOYSA-N 330.501 3.828 0 50 EHAA CC(=O)c1cc(CC(=O)N2CCCC[C@H]2c2cccnc2)cs1 97784860 GBWQMVFERPKZLO-INIZCTEOSA-N 328.437 3.642 0 50 EHAA COC(=O)c1cccc(-c2cc(C(=O)OC)cc(C(F)(F)F)c2)c1 97757043 CYNHGXQSIMKZII-UHFFFAOYSA-N 338.281 3.946 0 50 EHAA c1ccc(OC2CCN(Cc3nnc(C4CC4)n3C3CC3)CC2)cc1 181146911 KZQUWTDHSWSWPC-UHFFFAOYSA-N 338.455 3.534 0 50 EHAA Cc1cc(C)n(C2CN(Cc3ccc([C@@H]4CCCCO4)s3)C2)n1 97137550 FCPBAFWAMGHDCK-KRWDZBQOSA-N 331.485 3.860 0 50 EHAA O=C(c1ccn(C(F)F)n1)N1CCC(CCc2ccccc2)CC1 95353750 IGHSAVUSBBQDHL-UHFFFAOYSA-N 333.382 3.763 0 50 EHAA CC(C)(C)C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)C(F)(F)F 183002409 WRZCVPVMHUBESL-CYBMUJFWSA-N 342.361 3.668 0 50 EHAA CC(C)c1ccc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1F 184459948 WORRSIFILRXBBC-ZDUSSCGKSA-N 330.407 3.704 0 50 EHAA CSCCCNC(=O)c1cccc(-c2ncc(C(C)C)cn2)c1 584891850 ISVNDBNMDDYDEO-UHFFFAOYSA-N 329.469 3.750 0 50 EHAA C[C@@H](Nc1ccc2oc(CC(C)(C)C)nc2c1)C1(O)CCOCC1 1875285692 WMZSYJDYZBYNQX-CYBMUJFWSA-N 332.444 3.758 0 50 EHAA CC12CC(NC(=O)c3cccc(Cc4ccccn4)c3)(C1)C1(CCC1)O2 1875299174 BPNHQYNRDCIPAX-UHFFFAOYSA-N 348.446 3.646 0 50 EHAA O=C(O)[C@@H]1CC[C@H](C2CCC2)N1Cc1ccc(Br)cc1 1875283574 WSCUMHAFJFMEGF-CABCVRRESA-N 338.245 3.667 0 50 EHAA CCc1occ(C)c1C(=O)NC[C@](C)(COCc1ccccc1)OC 1875285273 IOULFDNKUNYOLV-HXUWFJFHSA-N 345.439 3.502 0 50 EHAA O=C(O)[C@H]1CC[C@H](C2CCC2)N1Cc1ccc(Br)cc1 1875283576 WSCUMHAFJFMEGF-HUUCEWRRSA-N 338.245 3.667 0 50 EHAA CC(C)OC(=O)Nc1ccc(OC[C@H]2C[N@]2CC2CC2)c(Cl)c1 1875385162 NNOMPEVJRQUSCR-VLIAUNLRSA-N 338.835 3.770 0 50 EHAA Cc1c(F)cccc1C(=O)N[C@H](C)Cc1nc(-c2ccccc2)no1 1875316412 OXDQCHVTULRUJB-GFCCVEGCSA-N 339.370 3.545 0 50 EHAA CC[C@H](C)Oc1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 1875355950 HTJHLXGJMZPPES-NSHDSACASA-N 341.379 3.943 0 50 EHAA CNC(=O)c1cccc(CCN[C@@H]2C=C[C@](C)(c3ccccc3)CC2)c1 1875305252 NRTWQHQWBYHXIA-GGAORHGYSA-N 348.490 3.855 0 50 EHAA Cc1ccc(C2(C(=O)NC[C@H](C(=O)O)C3CCCCC3)CC2)c(F)c1 1875355063 YQFUVRZAINWJAK-HNNXBMFYSA-N 347.430 3.563 0 50 EHAA Cc1nc(C(=O)Nc2c(F)cccc2NC(=O)OC(C)(C)C)co1 1303473312 ZYTVQMBVSCYBBA-UHFFFAOYSA-N 335.335 3.721 0 50 EHAA Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(C(C)(C)C)s1 272453707 MYYGKAAHTORXAB-UHFFFAOYSA-N 349.428 3.816 0 50 EHAA C[C@H]1C[C@H](c2ccccc2)C[C@H](N[C@H]2CCO[C@@H]2c2nccn2C)C1 275550794 NJPRDARFMGDSGD-UVBQOVKKSA-N 339.483 3.812 0 50 EHAA CC(C)N1CCC(Nc2ccc3c(c2)CCC(=O)N3CC2CC2)CC1 186672461 IUVGSMRBRFDVND-UHFFFAOYSA-N 341.499 3.661 0 50 EHAA C[C@H](c1cnccn1)N1CCN(Cc2cccc3ccccc23)CC1 170596947 BYWUENMUIZDAGA-QGZVFWFLSA-N 332.451 3.509 0 50 EHAA CC(C)c1nnc2ccc(NC(=O)c3ccc4ncccc4c3)cn12 189251318 HUBFSSIOHOPCBX-UHFFFAOYSA-N 331.379 3.653 0 50 EHAA Clc1ccc([C@@H]2OCC[C@H]2NCc2cn3ccsc3n2)cc1 192055018 MDRQZBSJTZFWPM-CABCVRRESA-N 333.844 3.669 0 50 EHAA Cn1cccc1[C@@H]1CCCCN1C(=O)c1ncccc1Br 193416875 ALCBCRZXZNBYMQ-AWEZNQCLSA-N 348.244 3.550 0 50 EHAA CC(C)=CCN1C[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(F)cc1)C2 1073334180 SLKOXMAMKBEQEF-YJBOKZPZSA-N 331.435 3.720 0 50 EHAA Cc1cc(C)n(C[C@@H](C)NCc2cccc(C(F)(F)F)c2F)n1 1506396712 MWLDWOKWWQANBI-LLVKDONJSA-N 329.341 3.836 0 50 EHAA CC(C)(C)[C@H]1CN(C(=O)c2cncc(F)c2)C[C@@H](c2ccccc2)O1 1529159589 SYLUTSLXRBOFCR-ZWKOTPCHSA-N 342.414 3.849 0 50 EHAA CCCCn1ncc(C)c1NC(=O)[C@@H](C)Oc1ccc(F)cc1F 1529174210 QQTZYZHXIKNQCV-GFCCVEGCSA-N 337.370 3.676 0 50 EHAA COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)O)CCC3)cc1 349891 UGYVGIJEUITCSZ-JXMROGBWSA-N 343.404 3.596 0 50 EHAA COc1cc(CO)cc2c1OC(c1ccccc1)(c1ccccc1)O2 391530 ZAHVIOGTDHJOQE-UHFFFAOYSA-N 334.371 3.860 0 50 EHAA CCc1c(C)sc(NC(=O)c2cccnc2)c1C(=O)OC(C)C 483308 AWTFPQBAJHEZRB-UHFFFAOYSA-N 332.425 3.831 0 50 EHAA COc1ccccc1N1CCN(C(=O)CCC2CCCCC2)CC1 474676 TXLFHRVQPUWEEL-UHFFFAOYSA-N 330.472 3.704 0 50 EHAA CCCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C)cc(C)c1 16626787 JUOLPBZWXZZADD-UHFFFAOYSA-N 331.437 3.739 0 50 EHAA Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 131887207 FWEPRYBNNKMVIM-JKIFEVAISA-N 325.456 3.843 0 50 EHAA C[C@@H](c1ccco1)N(C)Cc1ccc(C(=O)O)c(Br)c1 901416741 FTBKASRWRHDXMW-JTQLQIEISA-N 338.201 3.933 0 50 EHAA COc1cc(COc2cccc(N=S3(=O)CCCC3)c2)sn1 824856923 KPKZKIDEOYBXQL-UHFFFAOYSA-N 338.454 3.624 0 50 EHAA Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(C)c(C)cn4)C3)[nH]c2c1 935034410 LOQNFJWNAKJHHW-INIZCTEOSA-N 348.450 3.903 0 50 EHAA O=C(c1cc2n(n1)CCOC2)N1CCC[C@@H]1c1cccc2ccccc12 2325755016 ZJPOVFWBPMUPOZ-HXUWFJFHSA-N 347.418 3.544 0 50 EHAA COC(=O)c1c(C)oc2ccc(OCC(=O)c3ccc(F)cc3)cc12 308078 MKCFQAGPNJVIBT-UHFFFAOYSA-N 342.322 3.929 0 50 EHAA biogenic Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)o2)cc1 361479 JNNBWVXYAIQVMD-UHFFFAOYSA-N 343.383 3.915 0 50 EHAA O=C(Nc1ccc(F)c(Cl)c1)Nc1nnc(C(F)(F)F)s1 1049536 FXBJJAKNKYUKKM-UHFFFAOYSA-N 340.689 3.993 0 50 EHAA Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)o1 1053727 OYZCPNSESUXTRK-UHFFFAOYSA-N 334.375 3.770 0 50 EHAA COC(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCCCC2 2747080 VWNYVRNKYYUNFN-UHFFFAOYSA-N 344.436 3.841 0 50 EHAA CCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)o1 4943115 APMUZZATLDWWHM-UHFFFAOYSA-N 345.346 3.772 0 50 EHAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccc(C(=O)O)cc1 5008231 PIPHJIAVRSNMCM-PWSUYJOCSA-N 328.195 3.915 0 50 EHAA O=C(NCc1ccncc1)Nc1ccc(Br)cc1Cl 6700217 APNLWWIKDYZYAF-UHFFFAOYSA-N 340.608 3.819 0 50 EHAA CCCCC(=O)Nc1cccc(-c2nn3c(CC)nnc3s2)c1 8071418 NOQCOHBPNSQUAI-UHFFFAOYSA-N 329.429 3.544 0 50 EHAA COc1ccc(F)cc1S(=O)(=O)Nc1ccc(Cl)cc1C 10301927 JLYVONZUUWGBBA-UHFFFAOYSA-N 329.780 3.597 0 50 EHAA CCn1c(C)cc(=O)c2cc(C(=O)Nc3cccc(OC)c3)ccc21 12324693 DGSOMINJPGNVHT-UHFFFAOYSA-N 336.391 3.591 0 50 EHAA Cc1nc(-c2ccccc2F)sc1C(=O)NCCc1ccco1 12391172 UOAUDEDZRCIATE-UHFFFAOYSA-N 330.384 3.823 0 50 EHAA CCOc1cccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 12404328 FSGHEOJWUPAEMS-UHFFFAOYSA-N 340.423 3.866 0 50 EHAA COc1ccc(CCNC(=O)Nc2ccccc2Br)cc1 13745479 MDJJGIBRUBHZFC-UHFFFAOYSA-N 349.228 3.822 0 50 EHAA Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(C)[C@@H]1CCOC1 15073504 CLBQKBZRYRPGIZ-CQSZACIVSA-N 340.345 3.890 0 50 EHAA Cc1ccc(C)c(NC(=O)Cc2noc(-c3ccc(F)cc3)n2)c1 16579270 DEBDGKBZUDLUOB-UHFFFAOYSA-N 325.343 3.674 0 50 EHAA COc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)c(OC)c1 17952031 CJOHJMDNGBUZGX-UHFFFAOYSA-N 344.392 3.574 0 50 EHAA Clc1ccc(-n2cc(CN3CCC[C@@H](N4CCCC4)C3)cn2)cc1 19836466 OJFPIJHFRKHJGI-LJQANCHMSA-N 344.890 3.586 0 50 EHAA Cc1ccccc1[C@H]1CC(=O)c2cnc(NCc3ccco3)nc2C1 20101986 ZHZPLWRTZKGPFE-CQSZACIVSA-N 333.391 3.903 0 50 EHAA Cc1ccc2c(=O)n(CC[C@@H]3CCCCN3C(C)C)cnc2c1C 32573451 PWAVOEVOHDVBFV-KRWDZBQOSA-N 327.472 3.666 0 50 EHAA COc1cccc(-c2n[nH]cc2-c2nc(CCc3ccccc3)n[nH]2)c1 65396025 NCJWTRBRNMZVHR-UHFFFAOYSA-N 345.406 3.656 0 50 EHAA C[C@@]1(O)CCN(C(=O)c2cc3ccccc3[nH]2)C[C@@H]1Cc1ccccc1 67675163 ZKJKQGZTLCKXKW-PGRDOPGGSA-N 348.446 3.624 0 50 EHAA Cc1c(CNC(=O)c2ccccc2[C@H]2CCNC2)oc2ccccc12 72140489 RERRMBBJVCSZQM-HNNXBMFYSA-N 334.419 3.748 0 50 EHAA CN(Cc1cnn(-c2ccc(F)cc2)c1)c1nc(-c2ccccc2)no1 77304030 GQCVYIUOYXNFQW-UHFFFAOYSA-N 349.369 3.698 0 50 EHAA O=C(c1cc2ccccc2cn1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 91550896 GWRCRYJJCZJCBW-YLJYHZDGSA-N 349.478 3.571 0 50 EHAA CCCCc1nc(CN2CC[C@@](O)(C3CCC3)[C@H](C)C2)c(Cl)[nH]1 91690343 QGXRGVIQXPDBFB-ACJLOTCBSA-N 339.911 3.779 0 50 EHAA O=C(O)c1ccc([C@@H]2CCCN(C(=O)c3cccn3C3CC3)C2)cc1 95389191 ZETYWPPSRZCCIN-MRXNPFEDSA-N 338.407 3.541 0 50 EHAA Cc1ccc2c(c1)OCCN2C(=O)c1ccc(-n2nc(C)cc2C)cc1 154711384 YOROXOCADGWTNQ-UHFFFAOYSA-N 347.418 3.837 0 50 EHAA C[C@H]1C[C@H](c2ccc(F)cc2)CN1CCOc1ccccc1C(=O)O 183925366 XRSYHZSCVDSWOC-HOCLYGCPSA-N 343.398 3.781 0 50 EHAA Cc1n[nH]nc1C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 193950555 RAVOAIXRJOISFY-UHFFFAOYSA-N 328.759 3.811 0 50 EHAA C[C@H](NC[C@@H]1CCC=CO1)[C@H](OC1CCOCC1)c1ccccc1 194526179 LLZCFVYVWFMQID-VDGAXYAQSA-N 331.456 3.594 0 50 EHAA CCOc1cccc(NC(=O)c2ccc(-n3nc(C)nc3C)cc2)c1 225423713 VOQGILGMSRWUCR-UHFFFAOYSA-N 336.395 3.535 0 50 EHAA C[C@H]1CCN(c2nnc(C3CC3)n2C[C@@H]2CCCCO2)CC1(C)C 240225355 DHJARAWFGKVSGV-HOCLYGCPSA-N 332.492 3.597 0 50 EHAA CN1[C@H]2CCC[C@H]1CC(NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 247010995 WGDIBTHPGNQNNG-XLAORIBOSA-N 332.875 3.575 0 50 EHAA C[C@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC=C2CC(=O)O 257358877 WXRCQADVBJRAON-AWNCOGSJSA-N 346.467 3.580 0 50 EHAA CC(C)Oc1cccc(CN(C)C(=O)c2ccc(C(=O)O)cc2F)c1 262734441 IHKPTYAXLUVSTH-UHFFFAOYSA-N 345.370 3.583 0 50 EHAA C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(-c2cncnc2)cc1F 372916659 WISGOMISTIKFLK-CYBMUJFWSA-N 325.387 3.687 0 50 EHAA C[C@H]1C[C@@H](C)C[C@H](c2nc(Cn3cc(Br)cn3)no2)C1 408228721 ZLYPIOCNOQZJCU-URLYPYJESA-N 339.237 3.617 0 50 EHAA COc1ccc(-c2ccc(C(=O)NC[C@H]3CCCOC3)cc2)c(C)c1 426445514 JAXPJLVYQSIAPJ-MRXNPFEDSA-N 339.435 3.827 0 50 EHAA CCCc1cc(CNC(=O)c2ccc([C@@H](C)N3CCCCC3)o2)on1 584885898 VLHFSVKHNOAJKE-CQSZACIVSA-N 345.443 3.697 0 50 EHAA COc1cc(CNC2(c3cccc(C(F)(F)F)c3)CCC2)on1 660199873 NCVOZCKTPGXTHS-UHFFFAOYSA-N 326.318 3.871 0 50 EHAA CCCc1ncncc1C(=O)N[C@@H](CC(C)(C)C)c1cccnc1 670455295 BAFITSGHAIPRFN-KRWDZBQOSA-N 326.444 3.731 0 50 EHAA CC(C)(C)C[C@@H](NC(=O)Cn1ncc2ccccc21)c1cccnc1 827864083 UXBZDYHSIAFNFD-QGZVFWFLSA-N 336.439 3.725 0 50 EHAA CC(C)n1nc(Cc2c(Cl)cccc2Cl)nc1C1(CO)CC1 828685339 HNUFHTNDSSNYOK-UHFFFAOYSA-N 340.254 3.781 0 50 EHAA CCCCN(Cc1cccnc1)C(=O)Cc1csc(C(C)=O)c1 952977843 RLYLIBBFPNTETF-UHFFFAOYSA-N 330.453 3.717 0 50 EHAA O=C1CCCCCN1CCC(=O)N1CCCCC[C@@H]1c1ccco1 952990924 MXRCGDOJMUDJBB-MRXNPFEDSA-N 332.444 3.516 0 50 EHAA CC[C@@H](C)N(Cc1ccsc1)C(=O)c1ccccc1-c1nc[nH]n1 1506416195 VGDPIPLRSQVWGL-CYBMUJFWSA-N 340.452 3.974 0 50 EHAA COc1ccc2c(c1)CC[C@H]1[C@@H]2OCCN1C(=O)CC(C)(C)C1CC1 1875327277 TUUVOYGWKYIIJZ-AZUAARDMSA-N 343.467 3.736 0 50 EHAA COC(=O)c1ccc([C@@H](O)CN2CCCCC[C@@H]2c2ccco2)cc1 1875332042 AQRQAVXPXQBOLI-MSOLQXFVSA-N 343.423 3.717 0 50 EHAA O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc2snnc2c1 2325824353 ZJWANCNXHYELRP-UHFFFAOYSA-N 349.375 3.526 0 50 EHAA C[C@@H](CCc1ccc2c(c1)OCO2)OC(=O)c1cncc(C2CC2)c1 2325854616 MOMAMYFHMNHLAU-ZDUSSCGKSA-N 339.391 3.866 0 50 EHAA Cc1[nH]c2ccccc2c1CCN1C(=O)OC2(CCCCC2)[C@@]1(C)O 36898 MGASALLCUBLWSO-LJQANCHMSA-N 342.439 3.882 0 50 EHAA CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 264142 IECYYKHKZBFEAY-UHFFFAOYSA-N 340.379 3.622 0 50 EHAA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCC2CCCCC2)c1 373853 ZNVNZZMXZQTXFC-UHFFFAOYSA-N 347.411 3.559 0 50 EHAA Clc1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1 471061 QGRHSUWKZZROKK-UHFFFAOYSA-N 330.727 3.698 0 50 EHAA Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)c1 615537 PSYREHPBQDAAPO-AWEZNQCLSA-N 342.826 3.948 0 50 EHAA O=C([C@H]1CCCN(CCCc2ccccc2)C1)N1CCCCCC1 4745278 NZRUILYHRIXQRG-FQEVSTJZSA-N 328.500 3.734 0 50 EHAA Cc1cc(CN2CCC[C@](CO)(CCOc3ccccc3)C2)oc1C 12197200 PGPBBFMUIHRBAE-NRFANRHFSA-N 343.467 3.940 0 50 EHAA Cc1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1 12552656 HRSPXIIMLMOJIQ-UHFFFAOYSA-N 331.224 3.806 0 50 EHAA CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 13710637 VGTNTKDONXPLQN-AWEZNQCLSA-N 326.396 3.668 0 50 EHAA Fc1ccccc1[C@H]1CN(C2CCOCC2)Cc2ccccc2O1 14973746 IKVLIBMZPJMCLR-HXUWFJFHSA-N 327.399 3.940 0 50 EHAA Cc1ccc(-n2nnc(C(=O)NC3CCCCC3)c2C(C)C)cc1 16626517 HCEWHYSIEDWNFJ-UHFFFAOYSA-N 326.444 3.762 0 50 EHAA Cc1cccc2c1ccn2CC(=O)Nc1ccn(Cc2ccccc2)n1 20854366 BJKUGSVLGGTEHS-UHFFFAOYSA-N 344.418 3.833 0 50 EHAA Nc1nc2c(s1)[C@@H](c1cc(Br)ccc1F)CC(O)=N2 36357366 VAPCAYDFDDVXLT-SSDOTTSWSA-N 342.193 3.751 0 50 EHAA CN(C)CCN(Cc1ccsc1)Cc1cccc2cnccc12 55281876 XDTDEGKIEWZESN-UHFFFAOYSA-N 325.481 3.860 0 50 EHAA CCOc1ccccc1CN1CCN(c2ccccc2OCC)CC1 55543078 WAUAJGMYTZXYOO-UHFFFAOYSA-N 340.467 3.806 0 50 EHAA CCOC(=O)[C@@H]1CCCCN1Cc1ccc(F)c(Br)c1 55543669 IOLOSEYDGIUBQL-AWEZNQCLSA-N 344.224 3.506 0 50 EHAA CCCCOCC(=O)N(Cc1ccncc1)Cc1ccc(C)s1 63848109 TYKCTLGUXYZQPU-UHFFFAOYSA-N 332.469 3.797 0 50 EHAA CC[C@H](c1nc(C2CC2)nn1-c1cccc2cccnc12)n1cccn1 65405348 APNRJBYOUKLUSE-MRXNPFEDSA-N 344.422 3.889 0 50 EHAA COc1ccc2[nH]c(=O)c(CN(C)Cc3sccc3C)cc2c1 67713637 OUZBACWXXAPWIW-UHFFFAOYSA-N 328.437 3.539 0 50 EHAA Cc1cc2c(c(-c3ccccc3-c3nnc(C)s3)c1)O[C@@H](CN)C2 67725739 KWGAQYABSUWQKE-CQSZACIVSA-N 337.448 3.751 0 50 EHAA Cc1ccsc1[C@@H]1CCN(C(=O)c2c[nH]c3ccccc23)C[C@H]1O 67878038 VLRYCGHAASWKNV-RHSMWYFYSA-N 340.448 3.528 0 50 EHAA CNC(=O)c1ccc(CN2CCC[C@@H](CCc3ccccc3C)C2)o1 72159290 QTNGYIXBYGVTRO-KRWDZBQOSA-N 340.467 3.792 0 50 EHAA COc1ccc(CN2CC[C@@H](Cc3ccc(C(=O)O)cc3)C2)cc1C 72408648 ZQQPKCAOJBHIMD-SFHVURJKSA-N 339.435 3.766 0 50 EHAA CCNc1ncc(CN(C)Cc2csc(-c3cccs3)n2)cn1 72418309 PJYRSTONYHYWLS-UHFFFAOYSA-N 345.497 3.725 0 50 EHAA O=C(c1cncc(-c2ccc(F)cc2C(F)(F)F)n1)N1CCCC1 97099547 GECNPBAFGKOZNS-UHFFFAOYSA-N 339.292 3.538 0 50 EHAA Cc1cnn(-c2ccncc2NC(=O)C[C@H](C)c2cccc(F)c2)c1 124209316 OZOQJZCVYBTOSD-AWEZNQCLSA-N 338.386 3.847 0 50 EHAA COc1cc(C(C)=O)ccc1OCc1ccn(-c2ccc(F)cc2)n1 133638918 BUUFNFIUOJEIBD-UHFFFAOYSA-N 340.354 3.802 0 50 EHAA CCOc1ccccc1[C@H](CC(C)C)NC(=O)Nc1cccnn1 151751771 TWZIDSFHKQYCML-HNNXBMFYSA-N 328.416 3.784 0 50 EHAA C[C@H](NCc1nnc2n1CCCC2)c1ccc(OC(C)(C)C)cc1 157430047 VENVJPRRDRZWIP-AWEZNQCLSA-N 328.460 3.643 0 50 EHAA C[C@@H](NCc1nnc2n1CCCC2)c1ccc(OC(C)(C)C)cc1 157430189 VENVJPRRDRZWIP-CQSZACIVSA-N 328.460 3.643 0 50 EHAA COc1ccc(CNc2nc3ccccc3o2)c(Br)c1O 170595379 VZMTYHFZCXQDSB-UHFFFAOYSA-N 349.184 3.917 0 50 EHAA COc1ccc2nc(N3CCO[C@H](c4nc(C)cs4)C3)ccc2c1 171363006 LLUOTLBPFRRWJW-INIZCTEOSA-N 341.436 3.586 0 50 EHAA CC(C)Oc1cncc(C(=O)N2CC[C@H](C)c3cccc(O)c32)c1 186273237 OPRQDRXLEIFGQH-ZDUSSCGKSA-N 326.396 3.728 0 50 EHAA Cn1c(CNc2cccc(CO)c2)nc2cc(C(F)(F)F)ccc21 191943954 QRYCSBGMJNTCRJ-UHFFFAOYSA-N 335.329 3.697 0 50 EHAA COc1ccc(C(=O)O)nc1-c1ccc([C@@H](C)N2CCCC2)cc1 222440737 XKUCXEBTBUROOA-CYBMUJFWSA-N 326.396 3.612 0 50 EHAA CCc1nc(C)cc(NC[C@H](c2ccc(OC)cc2)N2CCCC2)n1 253419514 ZNXHHSLFCKEMEM-GOSISDBHSA-N 340.471 3.605 0 50 EHAA CCc1nnc([C@H]2CN(C(c3ccccc3)c3ccccc3)CCO2)o1 282501599 NNYBYVPUIGLRFI-GOSISDBHSA-N 349.434 3.795 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1ccco1)NCCCc1cccnc1 299772221 SLAWADUDVBXAAK-IBGZPJMESA-N 334.419 3.946 0 50 EHAA Cc1cc(C)n(CCCN(C)C(=O)Nc2ccc3[nH]ccc3c2)n1 299783511 ZUUYRNRBXUXGIY-UHFFFAOYSA-N 325.416 3.535 0 50 EHAA CC(C)NC(=O)c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 343744928 RGPOLEQCJMXNQQ-UHFFFAOYSA-N 339.370 3.698 0 50 EHAA Cc1cc(Cl)ccc1-c1ccc(C(=O)N2CCC[C@H]2CO)cc1 426584607 DNRDSQQMEMVUGM-KRWDZBQOSA-N 329.827 3.912 0 50 EHAA CC(C)Cn1cc(C(=O)N[C@@H]2CCc3c(O)cccc32)c(C(F)F)n1 448984433 SJBHXGGHWXNXLB-CQSZACIVSA-N 349.381 3.600 0 50 EHAA Cc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](C(=O)O)c3ccccc32)cc1C 659145422 KUCAJHRCSLWHQC-RCCFBDPRSA-N 335.403 3.622 0 50 EHAA COC(=O)NCc1ccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 735260367 LRSUPYPMMQZRKH-CVEARBPZSA-N 330.428 3.720 0 50 EHAA Cc1oc(C(=O)N2CCC(C)(C)[C@H](c3ccccc3)C2)cc1CO 887579629 WLAZIUKVSRTDGR-KRWDZBQOSA-N 327.424 3.736 0 50 EHAA CCC[C@@H](C(=O)O)n1ccc(NC(=O)c2ccc(C)cc2Cl)n1 909950956 LMMLNBJUVQYPNL-ZDUSSCGKSA-N 335.791 3.523 0 50 EHAA Cc1nn(-c2ccccc2)c2ncc(NC(=O)N3CC[C@@H]3C3CC3)cc12 934801321 ZRHRURZKBUXFIT-GOSISDBHSA-N 347.422 3.745 0 50 EHAA C[C@H]1CCN(C(=O)Nc2ccc(-n3nnc4ccccc43)cc2)[C@H]1C 1467336053 WYXXJQWIMGNWHI-KBPBESRZSA-N 335.411 3.683 0 50 EHAA CCCn1ncc(C)c1NC(=O)CCc1nc2ccccc2s1 1506409858 AHKFMKIFNVABGI-UHFFFAOYSA-N 328.441 3.783 0 50 EHAA CCc1ccccc1OC1CN(C(=O)c2nc(C(C)C)cs2)C1 1506427503 WJTQUDSKOUYWCA-UHFFFAOYSA-N 330.453 3.732 0 50 EHAA Oc1cccc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)c1Cl 1857714151 UDRZXAXYZBAIPA-ZDUSSCGKSA-N 348.830 3.810 0 50 EHAA CCCC1(C(=O)NC[C@H](C)CNC(=O)[C@@H]2CCC[C@H](C)C2)CCC1 2325793053 DJSPSNFACMJLNF-GVDBMIGSSA-N 336.520 3.652 0 50 EHAA C[C@@H](F)CN1CCN(C(=O)c2ccc(-c3ccccc3)cc2F)CC1 2325874381 KMCDJDPYFUFILE-OAHLLOKOSA-N 344.405 3.609 0 50 EHAA O=C(Nc1ccccc1O)c1ccc(C(=O)Nc2ccccc2O)cc1 192586 DWMCVBVYKHYJET-UHFFFAOYSA-N 348.358 3.602 0 50 EHAA O=C1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C2(CCCCC2)O1 206027 JHYRTHJKLGOVSO-ZDUSSCGKSA-N 341.329 3.910 0 50 EHAA Fc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 222229 SYANRGJUXDCGLD-LSDHHAIUSA-N 329.766 3.612 0 50 EHAA CCOC(=O)c1c(C)nc2n(Cc3ccccc3)c3ccccc3n12 305201 JUBVSLGEXSIYGV-UHFFFAOYSA-N 333.391 3.822 0 50 EHAA Cc1cc(OCC(=O)NC2C3CC4CC(C3)CC2C4)ccc1Cl 455395 QFSFQRDTIRVNKG-UHFFFAOYSA-N 333.859 3.968 0 50 EHAA Cc1[nH]c2ccccc2c1Cc1nnc(S)n1Cc1ccccc1 610523 PZALNAAKWOYNGA-UHFFFAOYSA-N 334.448 3.996 0 50 EHAA COC(=O)c1ccccc1C1c2ccc(N)cc2Oc2cc(N)ccc21 4521394 FNEZBBILNYNQGC-UHFFFAOYSA-N 346.386 3.924 0 50 EHAA in-vitro O=C(O)[C@H]1CCCC[C@H]1C(=O)NCc1ccc(Cl)c(Cl)c1 4652569 LTDGNQBCXLPCMP-MNOVXSKESA-N 330.211 3.501 0 50 EHAA Cc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1Cl 5051470 SSYCFHSRIWDMSK-UHFFFAOYSA-N 343.858 3.653 0 50 EHAA O=C(Cc1cccs1)Nc1cccc(NC(=O)c2ccco2)c1 8909361 JZCSAIMIVZBXIW-UHFFFAOYSA-N 326.377 3.775 0 50 EHAA COc1cccc(CC[C@@H]2CCCN(C(=O)c3csc(C)n3)C2)c1 12718546 HPPYHNDGDVGEMO-INIZCTEOSA-N 344.480 3.945 0 50 EHAA Cc1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1 12863956 SAVXGXLUPKZZMF-UHFFFAOYSA-N 340.398 3.625 0 50 EHAA CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc(Cl)cc2)C1 15062645 DBAIZQCZINYLFF-SFHVURJKSA-N 339.863 3.522 0 50 EHAA Cc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1F 20252444 PAPYEXRABSAMRM-QGZVFWFLSA-N 340.398 3.686 0 50 EHAA c1cc2c(cc1CN1CCN3CCC[C@@H]3[C@@H]1C1CCCCC1)OCO2 22078100 KHJGVIHWNXKXPN-NQIIRXRSSA-N 342.483 3.644 0 50 EHAA O=S(=O)(c1cc(F)ccc1F)N1CCC[C@@H]1c1ccc(F)cc1 35476458 OJZWFFCQXNJDNK-OAHLLOKOSA-N 341.354 3.630 0 50 EHAA CCCn1cc(-c2ccnc(N[C@H](C)c3csc(C)n3)n2)c(C)n1 48501646 LWFZFFIWJYWUHV-GFCCVEGCSA-N 342.472 3.997 0 50 EHAA Cc1ccc(C)c(OCC(=O)N(C)Cc2cc(C(C)C)on2)c1C 55358122 GXBDXKWDBXUHRB-UHFFFAOYSA-N 330.428 3.761 0 50 EHAA CN(Cc1ccccc1)c1ncccc1CNC(=O)Cc1ccccc1 67871726 VWYHMMZMORSQDN-UHFFFAOYSA-N 345.446 3.577 0 50 EHAA O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cc(-c2ccccc2)on1 77338001 YZQCELHLJLNVLL-HNNXBMFYSA-N 347.296 3.770 0 50 EHAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cccn3C)CC2)c1 77521720 UXBGWBLVGYOQCC-UHFFFAOYSA-N 348.450 3.743 0 50 EHAA CC(C)c1cc(C(=O)N(C)Cc2ccccc2CN2CCCC2)no1 82120307 QFZDQJDQWIAHGK-UHFFFAOYSA-N 341.455 3.666 0 50 EHAA Cc1cc(F)ccc1CC(=O)N1CCC[C@H](c2nccn2C(C)C)C1 95368488 UZEWCAZNOYIHLK-KRWDZBQOSA-N 343.446 3.860 0 50 EHAA CCCc1cnc(C)nc1N1CCC[C@H](c2nccn2C(C)C)C1 95390991 SWHGUYGZNBXVMT-KRWDZBQOSA-N 327.476 3.899 0 50 EHAA Cc1c(C(=O)Nc2ccc(C(F)(F)F)nc2)cnn1-c1ccccc1 132658261 BCQVEBZKCNWFEN-UHFFFAOYSA-N 346.312 3.847 0 50 EHAA COC(=O)[C@H](N[C@H](C)c1cccc(Cl)c1Cl)c1cccnc1 152323559 DYQYWOMTQOIEAU-MEBBXXQBSA-N 339.222 3.953 0 50 EHAA O=C1[C@@H](NCc2cccc3[nH]ccc23)CCN1c1ccc(Cl)cc1 152694498 VSEVMUQFTQDNRD-SFHVURJKSA-N 339.826 3.716 0 50 EHAA C[C@H]1CN(C(=O)c2ccc(F)cc2C(F)(F)F)c2cccnc2O1 158762495 YMOJXROWFQOCQH-VIFPVBQESA-N 340.276 3.667 0 50 EHAA Cc1noc(C)c1C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 163145801 BMXIGFAISNDNPB-CYBMUJFWSA-N 345.468 3.647 0 50 EHAA Cc1cc(CC(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)no1 172125542 SSOWFVDUWDRHOV-UHFFFAOYSA-N 346.390 3.718 0 50 EHAA CN1CCC[C@H](CN(C)C(=O)c2ccc(-c3ccccc3)s2)C1 172233703 VLQYDSOZMLKGRY-HNNXBMFYSA-N 328.481 3.829 0 50 EHAA CCC(CC)n1nc(C)cc1C(=O)N1CCCc2cccc(O)c21 182947608 BEJLPJGZOFGLFB-UHFFFAOYSA-N 327.428 3.851 0 50 EHAA COc1cccc(Cl)c1CN[C@H](c1ccccc1)c1ncc[nH]1 188463151 IXOQCUHWNFFIOT-QGZVFWFLSA-N 327.815 3.951 0 50 EHAA CCOc1ccc2cc(C(=O)N3CC(C)(C)OC(C)(C)C3)[nH]c2c1 188935521 BIVDCFOTOYCARS-UHFFFAOYSA-N 330.428 3.596 0 50 EHAA O=C(Nc1ccccc1-c1ccncc1)N1CC[C@H]([C@@H]2CCOC2)C1 241126036 JJBNACDEBZSWAB-DLBZAZTESA-N 337.423 3.639 0 50 EHAA CC[C@H](NC(=O)c1ccccc1-c1ccc(F)cc1)[C@H]1C[C@@H](O)C1 244795765 RNBDMIKIZDCNPE-GMBSWORKSA-N 327.399 3.772 0 50 EHAA CN1CC[C@@H](CNC2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 245652943 CTHBCLQYGKXSJR-SUMWQHHRSA-N 342.911 3.957 0 50 EHAA CCSCCN(C(=O)c1cccc(C(=O)O)c1)C1CCCCC1 252500533 SXIMDFSEIFWJMA-UHFFFAOYSA-N 335.469 3.913 0 50 EHAA O=C(c1cccc([C@@H]2CCOC2)c1)N1CCS[C@@H]2CCCC[C@@H]21 270668033 PTAVEOJCQAHIBF-FGTMMUONSA-N 331.481 3.691 0 50 EHAA Cc1cc(C(C)(C)C)cc(C)c1Cc1noc([C@@H]2CC(=O)N(C)C2)n1 273852465 YJIAAYNTEZKKPF-CQSZACIVSA-N 341.455 3.520 0 50 EHAA O=C(CCOCC(F)(F)C(F)F)N1[C@H]2CC[C@H]1c1ccccc12 276569892 BFFZSUHSXATONB-STQMWFEESA-N 331.309 3.712 0 50 EHAA Cc1ocnc1CNC(=O)N[C@H]1CC(C)(C)CCc2ccccc21 282625650 HNAJNLKCDAIBSZ-INIZCTEOSA-N 327.428 3.886 0 50 EHAA CC(=O)CC(C)(C)Cc1nc(Cc2c[nH]c3ccc(F)cc23)no1 289013482 KLNLARFYHDHLAA-UHFFFAOYSA-N 329.375 3.829 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1coc(-c2ccc(F)cc2)n1 299743728 PCERSLSYZCOGLG-XKQJLSEDSA-N 344.386 3.698 0 50 EHAA CN(CCc1ccc(F)c(F)c1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328651980 WFSAJDLWIAIZPX-PXNSSMCTSA-N 345.437 3.527 0 50 EHAA Cc1cc(F)cc([C@]2(F)CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)C2)c1 337728812 VLZHWBJENUYFEF-BUXKBTBVSA-N 347.409 3.675 0 50 EHAA C[C@@H](C(=O)N1CCC(c2cc(-c3ccncc3)[nH]n2)CC1)C(C)(C)C 408522813 MBRVVIBRZKSPGT-AWEZNQCLSA-N 340.471 3.860 0 50 EHAA Cc1cccc2c1cc(C(=O)N1CCC(Cc3cccnc3)CC1)n2C 426435369 JOOFYKWELPHZOE-UHFFFAOYSA-N 347.462 3.977 0 50 EHAA Cc1cnc2c(cnn2CC(=O)N(C(C)C)[C@@H](C)c2ccsc2)c1 905968467 QAAGDSHYMLVCCV-AWEZNQCLSA-N 342.468 3.799 0 50 EHAA COc1cc([C@H](C)NCc2ccc(C(N)=O)cc2)cc2ccccc12 1203943994 GMGKRFPOLUFQJT-AWEZNQCLSA-N 334.419 3.798 0 50 EHAA CCCn1cnnc1CNc1ccnc2c(C(F)(F)F)cccc12 1529110859 SOBVYTQPEFJHLX-UHFFFAOYSA-N 335.333 3.867 0 50 EHAA CC(C)c1ccc(-c2csc(NC(=O)c3coc(CN)n3)n2)cc1 1529172903 KKSZVUGGTGGHDA-UHFFFAOYSA-N 342.424 3.633 0 50 EHAA O=C1Cc2cc(-c3csc(-c4cncs4)n3)cc3c2N1CCC3 1875303855 QKRWKAGVFFNVHB-UHFFFAOYSA-N 339.445 3.769 0 50 EHAA C[C@@H](C(=O)Nc1ccc2nscc2c1)n1ccc(C(F)(F)F)n1 1875313658 WAVUHJNPNJWMRB-QMMMGPOBSA-N 340.330 3.711 0 50 EHAA O=C(c1csc2nccn12)N1C[C@@H]2CCCC[C@]21c1ccccc1 1875336424 ZPZQBCHGSLMDBV-KXBFYZLASA-N 337.448 3.937 0 50 EHAA CC[C@]1(C(=O)O)CCCN1C(=O)[C@H](SC)c1cccc(Cl)c1 1875354929 UCBSDJOORCTPMA-CZUORRHYSA-N 341.860 3.600 0 50 EHAA O=C(Nc1ncc(C2CC2)o1)c1cnc(OCC2CC2)c(Cl)c1 2325799989 DGCPIBAMWRGHIH-UHFFFAOYSA-N 333.775 3.642 0 50 EHAA CC[C@@H](C)c1ccc(-c2csc(N3CCN(C(C)=O)CC3)n2)cc1 2325866727 XTFPQSQVPJZMHX-CQSZACIVSA-N 343.496 3.992 0 50 EHAA NC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 30334 IZIYHTDHUXJTBD-UHFFFAOYSA-N 344.414 3.946 0 50 EHAA Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)c(C)c1 54257 RDKYQXMHYGXNTG-UHFFFAOYSA-N 328.437 3.614 0 50 EHAA Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 270131 BNQPNGXCAZGJRS-MRXNPFEDSA-N 337.423 3.505 0 50 EHAA C[C@@]1(O)N(CCc2c[nH]c3ccccc23)C(=O)OC12CCCCC2 1424758 IHNHVDHRNXPJDD-SFHVURJKSA-N 328.412 3.574 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 1473877 YBZCNJSCFBNMLR-INIZCTEOSA-N 330.428 3.564 0 50 EHAA Cc1ccc(-c2n[nH]cc2CNCc2ccc3c(c2)OCO3)cc1C 6420774 MUHCYJOKPSUXSL-UHFFFAOYSA-N 335.407 3.712 0 50 EHAA Sc1nnc(Cc2ccc(Cl)c(Cl)c2)n1C[C@H]1CCCO1 6925723 IHVFIPSSXQRVRE-SNVBAGLBSA-N 344.267 3.643 0 50 EHAA O=C(NC[C@H]1Cc2cccc(-c3ccncc3)c2O1)c1ccc(F)cc1 11784023 ILBJPTZAKVECDQ-GOSISDBHSA-N 348.377 3.621 0 50 EHAA Cc1ccccc1C(=O)N[C@H]1CCCN(Cc2ccccc2F)C1 11947445 HVUDMFVFFKHEQP-KRWDZBQOSA-N 326.415 3.529 0 50 EHAA COc1cc(OC)c(NC(=O)N[C@H](C)c2cccnc2)cc1Cl 13331928 NVVBBLAPMJNJPY-SNVBAGLBSA-N 335.791 3.635 0 50 EHAA CC[C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2cnn(CC)c2C)cc1 14226780 CTKCCQMKORZHHS-CQSZACIVSA-N 349.500 3.546 0 50 EHAA CCn1c([C@@H](C)Oc2ccc(Br)cc2)n[nH]c1=S 15933427 XUAUVCCHEHLJCW-MRVPVSSYSA-N 328.235 3.863 0 50 EHAA CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1 20106051 HVCHCTHDSYAEGH-NSHDSACASA-N 325.430 3.587 0 50 EHAA C[C@H]1[C@@H]2CCCN2CCN1Cc1cccc(OCc2ccccc2)c1 22078355 WDSDWHQNSMKURR-AVRDEDQJSA-N 336.479 3.934 0 50 EHAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(Cl)c2)N1 36055677 OBFZEESSNDQCJI-IRXDYDNUSA-N 340.810 3.598 0 50 EHAA Cc1cccc(-c2ncc(CN[C@H](C)Cc3ncccc3C)cn2)c1 55405125 IKUCLTFNHZFPKY-QGZVFWFLSA-N 332.451 3.876 0 50 EHAA Cc1ccccc1NC(=O)CC(=O)NC1(c2ccccc2Cl)CC1 65529868 QWMXRYSEDPHMRN-UHFFFAOYSA-N 342.826 3.783 0 50 EHAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)C1CCC1)CCO2 67867078 UMPDYJNABDAZGK-UHFFFAOYSA-N 337.419 3.889 0 50 EHAA Cn1cccc1C(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 71479523 BYGFRZXMINJYNV-AWEZNQCLSA-N 332.394 3.788 0 50 EHAA O=C(NCc1ccccc1)c1ccc(-c2cccc3c2CCNC3)o1 71757081 ZOCAYWHLXKXSQJ-UHFFFAOYSA-N 332.403 3.522 0 50 EHAA Cc1ccc([C@@H](C)CCN2CCN(Cc3ncccc3C)CC2)o1 72157327 QYMOZIMUPSIZFK-KRWDZBQOSA-N 327.472 3.603 0 50 EHAA Cc1c(O)cccc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 77488580 SMJAHNQYFKKBQQ-MRXNPFEDSA-N 349.390 3.728 0 50 EHAA Cc1nc([C@H](C)N(C)C(=O)c2cccc(-n3cccn3)c2)c(C)s1 77535747 XSFNNNUJXBCRKF-LBPRGKRZSA-N 340.452 3.779 0 50 EHAA O=C1Nc2ccccc2NC12CCN(c1ccc3ccccc3n1)CC2 82107964 IUGSJGDSJCMVSC-UHFFFAOYSA-N 344.418 3.638 0 50 EHAA CC(C)c1cc(C(=O)NCc2cnc(-c3ccccc3)s2)no1 82147189 OWSFPFFWEFKPQO-UHFFFAOYSA-N 327.409 3.852 0 50 EHAA O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(F)c21 91691619 ASRXEBHNHZCNOT-UHFFFAOYSA-N 346.789 3.536 0 50 EHAA in-vitro O=C(c1ccc(Cl)cc1)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 91794489 RADSGNIYOFKODR-CRAIPNDOSA-N 332.875 3.677 0 50 EHAA Cc1ccccc1[C@H]1CCN(CCNc2nnc(C(C)(C)C)o2)C1 92065874 VXJKKZLGRCCBRW-HNNXBMFYSA-N 328.460 3.577 0 50 EHAA O=Cc1cc(F)c(OCc2cn(-c3ccc(Cl)cc3)nn2)c(F)c1 122954244 ALMNOIWKKBRKAI-UHFFFAOYSA-N 349.724 3.590 0 50 EHAA Cc1csc(CN2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1 130122174 STKSTXXNOOJSCC-GFCCVEGCSA-N 337.514 3.779 0 50 EHAA CCO[C@@H]1C[C@@H](N(C)C(=O)Cc2c[nH]c3cc(F)ccc23)C1(C)C 170636672 OGTJEJLVKISMOW-IAGOWNOFSA-N 332.419 3.512 0 50 EHAA Cc1cc(C)n(CCOC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)n1 170637447 NLFPFEJQRGGDFU-QWHCGFSZSA-N 336.794 3.639 0 50 EHAA O=C(O)[C@H]1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2cccs2)C1 183962511 QGMOXYBEFXYNLZ-KGLIPLIRSA-N 347.436 3.761 0 50 EHAA CS[C@@H](CO)[C@@H](C)NCc1ccc(F)c(-c2cccs2)c1 219036436 WSMLMFZMXWRBFT-BZNIZROVSA-N 325.474 3.756 0 50 EHAA Cc1cc2c(N3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)ncnc2s1 241693987 QJMSDTBEDKNACG-JMGFVUJMSA-N 331.485 3.766 0 50 EHAA CSc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c1C 241776860 RTEFOPISLSIBHI-HOCLYGCPSA-N 333.501 3.665 0 50 EHAA C[C@H](NC(=S)N1CCC[C@H](N2[C@@H](C)CC[C@H]2C)C1)c1ccccc1 242047982 VRTMGQLBDBUGCZ-ZMMAXQRCSA-N 345.556 3.959 0 50 EHAA CCC[C@@H](C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccn1 252500443 SVSYCUMPTQOJON-MRXNPFEDSA-N 337.423 3.879 0 50 EHAA C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 253369526 DRUAMCACCYSTNQ-SKDZVZGDSA-N 337.423 3.587 0 50 EHAA Cc1cc(C(=O)Nc2cccc3c2CN(c2nccs2)C3)co1 253430098 XBXURNDTDWXOOJ-UHFFFAOYSA-N 325.393 3.817 0 50 EHAA Cc1ccc(Oc2ccccc2)c(NCc2nnc3n2CCOC3)c1 253431818 IEGISMSATNVGSQ-UHFFFAOYSA-N 336.395 3.521 0 50 EHAA CN(C(=O)c1cccc(O)n1)[C@@H](c1ccccc1)c1ccc(F)cc1 253535155 QRLRXMGYKFGJGF-IBGZPJMESA-N 336.366 3.788 0 50 EHAA CCOc1ccccc1C(F)(F)C(=O)NC[C@H]1CCC(F)(F)C1 280493508 DHDZLXSLOAUDHX-NSHDSACASA-N 333.325 3.729 0 50 EHAA CO[C@@]1(C)CCCN(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)CC1 376127900 FPLAUNCEQYIWEG-ZFWWWQNUSA-N 336.398 3.708 0 50 EHAA Cc1cc2cc(CNC(=O)N(C)CCC[C@H]3CCCO3)ccc2[nH]1 426518814 PIFQCMPNRRZHOH-KRWDZBQOSA-N 329.444 3.577 0 50 EHAA CO[C@@]12CC[C@@H](OCC3CC3)C[C@@H]1N(Cc1ccc(C)s1)CC2 426689859 LYFBFGAGKJTUEG-NZSAHSFTSA-N 335.513 3.995 0 50 EHAA CN(C)CCN(Cc1ccsc1)C(=O)NCC1C(C)(C)C1(C)C 534636973 PRHRYFMHZJINDP-UHFFFAOYSA-N 337.533 3.504 0 50 EHAA CO[C@@H](C)CCNC(=O)N1CCC(Sc2cccc(C)c2)CC1 584899806 VKUVQOGOLFTAAT-HNNXBMFYSA-N 336.501 3.686 0 50 EHAA C[C@@H](c1ccccc1)n1ccc(N[C@@H]2CCN(c3ccccc3)C2=O)n1 675283517 HXEXPVSCVBFMLC-QFBILLFUSA-N 346.434 3.710 0 50 EHAA COc1ccc(CCCC(=O)Nc2ccc3n[nH]cc3c2)cc1OC 887952046 VBLLZKPSLDNCEE-UHFFFAOYSA-N 339.395 3.542 0 50 EHAA Cc1c(NS(=O)(=O)c2coc3ccccc23)noc1C(C)(C)C 903647724 NBJXHJBLUHZVOU-UHFFFAOYSA-N 334.397 3.828 0 50 EHAA CC[C@H](NC(=O)CCc1c(C)nn(C)c1C)c1ccc(C)c(C)c1 952967038 YRCHTCDODNMCAV-IBGZPJMESA-N 327.472 3.854 0 50 EHAA CC(C)c1nc(CNC(=O)Nc2ccc(F)c(C(F)(F)F)c2)no1 952970029 PQDXYWOITOCBDR-UHFFFAOYSA-N 346.284 3.673 0 50 EHAA Cc1cc(CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc(C)n1 1775983254 URCMHNQFGFTJRK-KRWDZBQOSA-N 349.434 3.788 0 50 EHAA CC(C)c1nc(-c2nccn2C[C@@H]2COc3ccccc3O2)co1 1857704232 JPANNOFLELUKHC-CYBMUJFWSA-N 325.368 3.502 0 50 EHAA CN(C(=O)OC(C)(C)C)C1(Cc2nc(-c3cccc(F)c3)no2)CC1 1875305839 JTEAINWELHXVSA-UHFFFAOYSA-N 347.390 3.818 0 50 EHAA O=C(CCc1ncc[nH]1)N1Cc2ccccc2[C@@H](c2cccs2)C1 2325792779 LRYUMRUAVIFNEE-INIZCTEOSA-N 337.448 3.578 0 50 EHAA O=C(O[C@@H]1CCC[C@@H]1Oc1cccc(F)c1)c1cc2cccn2cn1 2325824321 YBTLGCMIDPYHAL-ZWKOTPCHSA-N 340.354 3.630 0 50 EHAA O=S(=O)(Nc1ccc2c(c1)NCC2)c1scc(Cl)c1Cl 2325829697 PZMNRSKWFXSLSG-UHFFFAOYSA-N 349.264 3.824 0 50 EHAA COc1ccc2c(c1)CCC1=C2NC(=S)N[C@H]1c1ccc(F)cc1 195206 PUKPSVVFUXDPDW-KRWDZBQOSA-N 340.423 3.711 0 50 EHAA CCN(CC)c1ccc(NC(=O)[C@@H]2CC[C@@](C)(C(=O)O)C2(C)C)cc1 223918 DUOIEPVTIVMMNP-JXFKEZNVSA-N 346.471 3.998 0 50 EHAA COc1cc(OC)c(CN2C[C@@H](C)C[C@H](C)C2)cc1Br 757842 RHMRLBQJBNGYLK-RYUDHWBXSA-N 342.277 3.944 0 50 EHAA CCn1ncc(Cl)c1C(=O)Nc1ccc(C)cc1Br 1002413 QRUPWNNUKADSDE-UHFFFAOYSA-N 342.624 3.880 0 50 EHAA O=C(O)[C@H]1C=CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 2583140 YSQFCCXPDNQENP-AWEZNQCLSA-N 349.386 3.508 0 50 EHAA COc1cccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 2762094 DZTQXYSDIHFQQR-UHFFFAOYSA-N 341.798 3.846 0 50 EHAA CC(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1 2774195 PYZOOCLHHPPUGM-UHFFFAOYSA-N 329.224 3.837 0 50 EHAA CCCCN(C)C(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 6700776 WZVPIZIDCQBSFC-UHFFFAOYSA-N 328.195 3.972 0 50 EHAA C[C@@H](NCc1ccc(OCC(=O)NC(C)(C)C)cc1)c1ccccc1 8535331 KSGJBPSKDOKAHP-MRXNPFEDSA-N 340.467 3.831 0 50 EHAA CC(C)c1nc2cc(C(=O)N(C)C[C@H](O)c3ccccc3)ccc2o1 12029311 GJOPPDRPEAQERY-KRWDZBQOSA-N 338.407 3.757 0 50 EHAA OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccccc2)CC1 12057835 UUBFVUILLYKUNN-UHFFFAOYSA-N 348.446 3.911 0 50 EHAA C[C@H](Cc1ccsc1)NC(=O)[C@H]1CC(CCc2ccccc2)=NO1 12190590 DFMFDPCPPAPAHR-RDTXWAMCSA-N 342.464 3.573 0 50 EHAA O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)C1CC1 12343563 FRWNIHKPYAXNIL-UHFFFAOYSA-N 332.469 3.602 0 50 EHAA CC1(C)Cc2nc(C(C)(C)C)ncc2[C@@H](NC(=O)c2ccco2)C1 12441900 QJSZVMFTLKBPPW-ZDUSSCGKSA-N 327.428 3.811 0 50 EHAA O=C(C1CCCC1)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 12762380 GOLGHJOITIUMBQ-INIZCTEOSA-N 341.373 3.666 0 50 EHAA O=C(c1ccccc1N1C(=O)c2ccccc2C1=O)N1CCCCCC1 14002739 RHFFRZIMILMHET-UHFFFAOYSA-N 348.402 3.503 0 50 EHAA Cc1ccc(OC[C@H](O)Cn2c(C3CC3)nc3ccccc32)c(C)c1 16903737 OLJJPTPADNOTJG-QGZVFWFLSA-N 336.435 3.970 0 50 EHAA CCN(CC)CCN1CCn2c3c(c4cc(C)ccc42)CCC[C@@H]31 20608602 DLIMQMFEKLIBNI-FQEVSTJZSA-N 325.500 3.985 0 50 EHAA CCCCN(C(=O)/C=C\c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C 22590791 DCWKRBUZLUVFGF-JUXQWVBMSA-N 326.484 3.954 0 50 EHAA CC(C)(C)OC(=O)NCc1cc2ncc(Br)cc2o1 38534095 YJVWCTUDWFQTDA-UHFFFAOYSA-N 327.178 3.615 0 50 EHAA in-vitro COc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccccc1 65365047 KZKIOARHWXEYBY-MRXNPFEDSA-N 333.391 3.663 0 50 EHAA CC[C@H](c1nc(C2CC2)nn1-c1ccc(C)c(C)c1)N1CCOCC1 65398990 LZTSPFCTFSPOEL-GOSISDBHSA-N 340.471 3.545 0 50 EHAA COc1ccc(CN2CC[C@H](Cc3ccc(C(=O)O)cc3)C2)cc1C 72408647 ZQQPKCAOJBHIMD-GOSISDBHSA-N 339.435 3.766 0 50 EHAA CSCc1nc(CNc2cc(C)nc3c(C)c(C)nn23)cs1 72420450 JBFPZCPTMNSBSP-UHFFFAOYSA-N 333.486 3.586 0 50 EHAA CCCc1cc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)[nH]n2)no1 77337481 KMKMOBAHJFEOPL-ZDUSSCGKSA-N 338.411 3.850 0 50 EHAA Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(F)c3)C[C@H]2N(C)C)cc1 95500896 ZCRFLUKTZQTKQS-RBUKOAKNSA-N 341.430 3.696 0 50 EHAA Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCCC[C@@H]1c1cccn1C 151488400 TWIWDRAZORCKSO-SUMWQHHRSA-N 344.459 3.670 0 50 EHAA Cc1nc(NC(=O)[C@H]2CC[C@@H](N)C2)sc1Cc1cccc(Cl)c1 152248710 LOWIJYMVBWKMFZ-GXTWGEPZSA-N 349.887 3.762 0 50 EHAA CC(C)CN1CCC[C@H](CNC(=O)c2csc(-c3ccco3)n2)C1 163328608 UXQKITPCOOLSLO-CQSZACIVSA-N 347.484 3.501 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H]2C(=O)O 169333261 WLUUNDKHYAJMCU-JOCBIADPSA-N 327.424 3.935 0 50 EHAA CN1C(=O)CC[C@H](c2nc(-c3ccsc3)no2)[C@H]1c1ccccc1 175436564 PSKBEEDJWFEDPN-GOEBONIOSA-N 339.420 3.875 0 50 EHAA C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1cnn(CC(F)F)c1 177870370 HIKFEDSVMIRUAK-WFASDCNBSA-N 334.370 3.558 0 50 EHAA Cc1cnc([C@@H](C)NC(=O)Cc2nc(-c3ccccc3)oc2C)s1 177929162 RNLSTDGNXXDVHH-GFCCVEGCSA-N 341.436 3.835 0 50 EHAA CCCn1cc(C(=O)N(C)c2ccc(Br)cc2C)cn1 180765112 CKDHQUSYPHJWSF-UHFFFAOYSA-N 336.233 3.641 0 50 EHAA O=C(c1cc(N2CCCC2)ccn1)N(Cc1ccco1)C1CCCC1 188723787 VCGLJAJEIPBRAO-UHFFFAOYSA-N 339.439 3.860 0 50 EHAA CC[C@@H](C)NC(=O)c1ccc(NCc2c[nH]nc2-c2cccnc2)cc1 195117250 MNIZDZUFYQPJGT-CQSZACIVSA-N 349.438 3.612 0 50 EHAA Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cccc(F)c3)C2)n1 247924685 OXPMDBFJKNYETM-QYZOEREBSA-N 341.430 3.606 0 50 EHAA C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@@]1(O)CCc1ccoc1 248331669 HQLLRHCTVDVUJB-PPOGKFSKSA-N 332.440 3.721 0 50 EHAA biogenic O=C(CCC(F)(F)F)NC[C@H](c1ccc(F)cc1)N1CCCCC1 252489292 JNQYCPGWCRHLLY-OAHLLOKOSA-N 346.368 3.811 0 50 EHAA Fc1cc([C@H]2CCCN2Cc2cncnc2)ccc1Br 253432742 NINGISHZFFNFQR-OAHLLOKOSA-N 336.208 3.715 0 50 EHAA CC(=O)Nc1ccc(-c2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)cc1 276891008 HOZMEAUECVRNCF-AVGNSLFASA-N 328.416 3.629 0 50 EHAA Cc1c(CNC(=O)[C@@H]2CC(=O)OC23CCCCC3)oc2ccccc12 299768475 VMFDWOJFZBGXMN-HNNXBMFYSA-N 341.407 3.623 0 50 EHAA O=c1ccnc2sc(N[C@H](Cc3ccccc3)c3ccccc3)nn12 301129499 SQNJXGCOYIGNAZ-MRXNPFEDSA-N 348.431 3.547 0 50 EHAA CCS(=O)(=O)CCCCCN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 367157979 QDYMEZZXUOPZEX-ZCNNSNEGSA-N 349.540 3.860 0 50 EHAA COc1cc(NC2CCC(NC(C)=O)CC2)cc(OC)c1C(C)C 408514235 KTEVVUCSNAXTSC-UHFFFAOYSA-N 334.460 3.686 0 50 EHAA CCC(CC)n1ncc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccccc2)c1C 408520850 OUIRUJSTKKMMQM-PKOBYXMFSA-N 341.455 3.501 0 50 EHAA C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)NCc1cscn1 411792801 QACCATAXCNZJHS-SNVBAGLBSA-N 344.358 3.537 0 50 EHAA Cc1cc(-c2ccc(C(=O)NC[C@@H]3CCOC3)cc2)c2ccccc2n1 426504436 FPJZPRMKRAFPGN-INIZCTEOSA-N 346.430 3.977 0 50 EHAA CCO[C@@H](C)c1noc(COc2cc(C)ccc2Br)n1 451072966 PSJCEPRERKEKLX-JTQLQIEISA-N 341.205 3.817 0 50 EHAA Cc1cc(Cl)c(NC(=O)N2CC[C@@H](n3cccn3)C2)cc1Cl 463650146 PEDHOGXMXDCVFX-LLVKDONJSA-N 339.226 3.977 0 50 EHAA CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCCC1(F)F 672494780 PBZUAMVOCNXMSY-HNNXBMFYSA-N 349.381 3.579 0 50 EHAA CC1(C)[C@H](c2ccc(C(F)(F)F)cc2)CCN1C(=O)CCC(=O)O 864218208 TVAXQOJDOAPWDW-ZDUSSCGKSA-N 343.345 3.665 0 50 EHAA CCC(=O)Nc1cc(NC(=O)CCN2CCCCCC2)ccc1C 952860346 MWMRRADNFXZZGF-UHFFFAOYSA-N 331.460 3.548 0 50 EHAA O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)[C@@H]1CC1(F)F 1262653853 RJAGNMGDVTVQER-AWEZNQCLSA-N 338.741 3.799 0 50 EHAA Cc1ccc(CN(C(=O)Cc2cnc3c(C)cccn23)C2CC2)s1 1506425581 BOFRUOKMQDUJQA-UHFFFAOYSA-N 339.464 3.746 0 50 EHAA O=C(O)[C@@H]1CC[C@@H](C2CCC2)N1Cc1ccc(Br)cc1 1875283575 WSCUMHAFJFMEGF-GJZGRUSLSA-N 338.245 3.667 0 50 EHAA O=C(Nc1cccc(-c2ccccc2)c1)[C@@H](O)COCc1ccccc1 1875352773 DKQGTHDNKLHQQC-NRFANRHFSA-N 347.414 3.870 0 50 EHAA Cc1cccc(NC(=O)COC(=O)/C=C/c2ccc(F)cc2)c1C 130656 YJARIQJQMUDULI-DHZHZOJOSA-N 327.355 3.638 0 50 EHAA Cc1cccc(C)c1NS(=O)(=O)c1ccc(Br)cc1 282849 ZEIAXAVJDDUTMJ-UHFFFAOYSA-N 340.242 3.867 0 50 EHAA O=S(=O)(NCCC1=CCCCC1)c1ccc(Br)cc1 309218 UDWPVHDLXJKJHR-UHFFFAOYSA-N 344.274 3.618 0 50 EHAA Cc1cccc(NC(=O)COc2cc(C)c(Br)c(C)c2)n1 311578 CXMVHLWOFCZYIE-UHFFFAOYSA-N 349.228 3.787 0 50 EHAA CC1CCN(C(=O)c2cc(-c3ccc(Br)cc3)on2)CC1 423614 DUGYUHWPCWYDGY-UHFFFAOYSA-N 349.228 3.976 0 50 EHAA CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 465093 HWQPZVGGVABGDL-CQSZACIVSA-N 326.396 3.668 0 50 EHAA Cc1nc2ccc(NC(=O)NCc3ccc4c(c3)OCO4)cc2s1 619644 HSJOBCUBOPQPIE-UHFFFAOYSA-N 341.392 3.655 0 50 EHAA O=C(NCc1cccnc1)c1cc(-c2ccc(Cl)cc2Cl)on1 815123 XAFZYOJQRFXGFL-UHFFFAOYSA-N 348.189 3.973 0 50 EHAA Fc1ccc(-c2cn3cc(I)ccc3n2)cc1 1432384 UZQKQZDRUQNOQM-UHFFFAOYSA-N 338.123 3.745 0 50 EHAA CC(C)(C)c1cc(C(C)(C)C)c2c(c1)[C@@](O)(C(F)(F)F)C(=O)O2 2601326 RVNOANDLZIIFHB-INIZCTEOSA-N 330.346 3.951 0 50 EHAA in-vitro C[C@@H]1CCCCN1C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 2777812 NYYUOQLPBBPVDY-SNVBAGLBSA-N 334.370 3.559 0 50 EHAA CCCOc1ccc(OCCOCCN2C[C@@H](C)C[C@@H](C)C2)cc1 2823746 HPPAFXHZWSOYJV-HDICACEKSA-N 335.488 3.849 0 50 EHAA C[C@H](c1ccco1)N1C(=O)CC[C@@H]1CCNCc1ccc(F)cc1 11784067 QZPHZCTYLSLPIU-RHSMWYFYSA-N 330.403 3.651 0 50 EHAA CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)NC(C)C)c1 12404177 SWXQZQXRQCDPJO-GOSISDBHSA-N 340.423 3.621 0 50 EHAA Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2cncs2)C1 12711121 UEFUMHWCAZACNK-LBPRGKRZSA-N 348.855 3.840 0 50 EHAA COc1cccc(CNCC[C@@H]2CCC(=O)N2CC2CCCCC2)c1 14884124 BCGXVFVQGRBTEK-IBGZPJMESA-N 344.499 3.746 0 50 EHAA O=C(CC[C@@H]1CCCN(Cc2ccncc2)C1)Nc1ccccc1F 15065044 YPIBQFVRASVRFI-INIZCTEOSA-N 341.430 3.852 0 50 EHAA COc1cc(NC(=O)N2CCC[C@@H]2c2ccco2)cc(OC)c1OC 15837935 SYFDZEMPJMSXRL-CYBMUJFWSA-N 346.383 3.674 0 50 EHAA O=C(NCc1ccccn1)c1cc(-c2ccccn2)nc2ccccc12 17167769 NCXMCXKEQCOZCS-UHFFFAOYSA-N 340.386 3.622 0 50 EHAA Cc1nc(Cn2ccc(-c3cccc(-c4nccn4C)c3)n2)cs1 19301055 SHEXMOYFZPYEOW-UHFFFAOYSA-N 335.436 3.764 0 50 EHAA OCCCCNC1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1 20203999 HNBUXDBRSBZPIA-UHFFFAOYSA-N 342.458 3.824 0 50 EHAA Fc1ccccc1-c1noc(-c2ccc(NC3CCOCC3)nc2)n1 20541383 CFYFHRSLJBHRIV-UHFFFAOYSA-N 340.358 3.529 0 50 EHAA NCCN[C@@H](c1ccc(Cl)cc1)c1ccccc1C(F)(F)F 22917520 TURCTTRGNGELIE-HNNXBMFYSA-N 328.765 3.997 0 50 EHAA in-vitro Fc1ccccc1N1CCN(Cc2cccc(Br)c2)CC1 55544083 GBXWUGINWBNQBK-UHFFFAOYSA-N 349.247 3.910 0 50 EHAA CCCc1cc(=O)[nH]c(-c2ccccc2CN2CCCCCC2)n1 63847530 AISLXYCIHSHGJP-UHFFFAOYSA-N 325.456 3.765 0 50 EHAA C/C(=C\c1ccco1)CN1CCC[C@H]1c1nc(-c2ccccn2)no1 65372473 JOTYGJBDHKIHIF-VSOYFRJCSA-N 336.395 3.965 0 50 EHAA CCCCc1nc(-c2c(-c3ccccc3)ncn2[C@@H]2CCNC2)c[nH]1 65420502 RTLDOKRXXUOUMI-MRXNPFEDSA-N 335.455 3.817 0 50 EHAA CN1CCCC[C@@H]1CCC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 67805376 WKHAERVHZBHWIW-GOSISDBHSA-N 339.483 3.923 0 50 EHAA CCOc1ccc(-c2c[nH]c(-c3cnc(CC)nc3)n2)cc1OCC 67965995 OLPFXZICKQNCEJ-UHFFFAOYSA-N 338.411 3.894 0 50 EHAA CC(C)c1cc(N(C)Cc2noc(C3CCCC3)n2)n2nccc2n1 72170339 CBNMFPHMZYSZMA-UHFFFAOYSA-N 340.431 3.530 0 50 EHAA Cc1occc1C(=O)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 77356475 YFKYXTOHNHLNDT-KRWDZBQOSA-N 349.434 3.922 0 50 EHAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CCc1ccccc1F 82139324 NFYADNUJLJCYSX-QGZVFWFLSA-N 340.442 3.743 0 50 EHAA COc1ccnc(CN2CCC[C@@](C)(c3ccccc3)C2)c1OC 91306140 XSBOFKPVHSIQGW-HXUWFJFHSA-N 326.440 3.653 0 50 EHAA CN1CCC(n2nc(CC3CC3)nc2-c2ccc(F)cc2Cl)CC1 95496987 NXIIZYJENNIYAK-UHFFFAOYSA-N 348.853 3.957 0 50 EHAA Cc1ccc(OCc2occc2-c2nc([C@H]3CCOC3)no2)cc1 96162264 NFPWXVKOVBIXCA-ZDUSSCGKSA-N 326.352 3.721 0 50 EHAA COc1ccc(-n2ccnc2CN2CCC[C@H]2c2cc(C)on2)cc1 97785369 LXJVMJPDQFKWAA-SFHVURJKSA-N 338.411 3.514 0 50 EHAA C[C@H](NC(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccc2ccccc2c1 116521928 FIPLAFIIVKDCON-KXBFYZLASA-N 348.450 3.833 0 50 EHAA Cc1nn(C)cc1[C@H](C)NC(=O)NC(C)(C)c1cccc(Cl)c1 172598577 YBRLYDXMRTYLHY-NSHDSACASA-N 334.851 3.677 0 50 EHAA CN(Cc1noc(Cc2c[nH]c3ccccc23)n1)C(=O)OC(C)(C)C 225593339 OCAZCVUOFHJMCA-UHFFFAOYSA-N 342.399 3.509 0 50 EHAA Cc1cc2c(N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@H]3O)ncnc2s1 241693986 QJMSDTBEDKNACG-DDUYRFODSA-N 331.485 3.766 0 50 EHAA Cc1ccc(C2(O)CCN(Cc3coc(-c4ccccc4)n3)CC2)nc1 244788016 QHUOETIUBOAKNV-UHFFFAOYSA-N 349.434 3.529 0 50 EHAA CC[S@](=O)[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 249207568 WVPMWODPKGAPPX-NNULKFFLSA-N 325.440 3.777 0 50 EHAA Cc1noc(C)c1CN(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 249713183 GINWVIOHUJNLMK-CVEARBPZSA-N 341.238 3.688 0 50 EHAA CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CCC[C@H](N(C)C)CC2)cc1 252483033 DSVXHNICVMZXMD-LPHOPBHVSA-N 344.499 3.572 0 50 EHAA O=C(Nc1cccc(OCCF)c1)c1cnc(O)c2ccccc12 253536855 GSXVTZAEXYDZON-UHFFFAOYSA-N 326.327 3.541 0 50 EHAA C[C@@H](c1nc(-c2ccccc2)no1)N1CCCC2(CCOCC2)C1 266044523 WXJBIBVVHFVBAN-HNNXBMFYSA-N 327.428 3.690 0 50 EHAA Cc1nc(CNC(=O)[C@H]2CCCO[C@@H]2C)oc1-c1ccc(Cl)cc1 276968442 XLBUIPSTPUUEBE-DOMZBBRYSA-N 348.830 3.735 0 50 EHAA CCNCC1CCN(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)CC1 417684673 PQGIOOFEPBZTGA-LBPRGKRZSA-N 341.858 3.571 0 50 EHAA CC(C)Nc1ncc(C(=O)N2C[C@H](c3ccccc3)C(C)(C)C2)cn1 426551113 LRYVCFQCQLBXPK-QGZVFWFLSA-N 338.455 3.563 0 50 EHAA CCOCc1ccc(NS(=O)(=O)c2ccc3ncccc3c2)cc1 438729742 WQWMEAGJNJQARW-UHFFFAOYSA-N 342.420 3.572 0 50 EHAA Cc1cnn([C@H]2CCCN(C(=O)c3c[nH]cc3Cc3ccccc3)C2)c1 932125009 JJUYWOYBWDWYJM-IBGZPJMESA-N 348.450 3.588 0 50 EHAA Cc1nc(C(=O)NCc2cc(-c3cccc(Cl)c3)no2)cs1 952989685 XYSLQKPRSAPWLB-UHFFFAOYSA-N 333.800 3.690 0 50 EHAA C[C@H](NC(=O)C1CC2(CCOCC2)C1)c1cc2cc(F)ccc2o1 1875268314 RKGOTZQZIWEGQV-LBPRGKRZSA-N 331.387 3.956 0 50 EHAA Cc1cc(C)c2cc(CN(C)[C@@H]3CCN(c4ccncc4)C3)[nH]c2c1 2325859235 RSSWLTBSZTZRIR-LJQANCHMSA-N 334.467 3.890 0 50 EHAA O=S(=O)(c1ccccc1-c1ccccc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1C3 2325870103 KDKPVFWHVVPUKZ-IAAVTCLWSA-N 339.460 3.773 0 50 EHAA Cc1cc([C@H]2CCCCN2C(=O)c2ccc(O)nc2C(C)C)no1 2356143592 OQLHCUZOORYAGM-OAHLLOKOSA-N 329.400 3.574 0 50 EHAA O=P(NNc1ccccc1)(NNc1ccccc1)c1ccccc1 44444 IKOUTDFSNUJNLS-UHFFFAOYSA-N 338.351 3.738 0 50 EHAA CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)N=C1S 94069 QKHYYHQPMIESEW-YBEGLDIGSA-N 342.395 3.503 0 50 EHAA Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)O)cc3N2)cc1 226869 QAMKCWLSDIAWSU-JQWIXIFHSA-N 325.290 3.550 0 50 EHAA COc1ccc(OC)c(CN2CCC(N3CCCCCC3)CC2)c1 317587 CLLAAYNFTDRUEM-UHFFFAOYSA-N 332.488 3.544 0 50 EHAA Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)cc1C 581492 WFIJNSYHBHSYGH-UHFFFAOYSA-N 328.437 3.614 0 50 EHAA O=C(NCc1ccc(C(=O)O)cc1)Nc1ccccc1C(F)(F)F 609656 DLOYPXQQBVOFNB-UHFFFAOYSA-N 338.285 3.725 0 50 EHAA CCc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 613101 HCVSXUVMGJDXAU-INIZCTEOSA-N 326.421 3.691 0 50 EHAA CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(C)c1 617437 CAFBOXVCEVMEHP-UHFFFAOYSA-N 333.453 3.929 0 50 EHAA CCc1ccccc1OC[C@@H](O)CN[C@H]1CCCc2ccccc21 3812136 VFDHMSXXELYMRW-ICSRJNTNSA-N 325.452 3.656 0 50 EHAA biogenic,investigational Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(Cl)cc1 4866367 BCBAWOCCJGHYCG-UHFFFAOYSA-N 337.206 3.670 0 50 EHAA N=c1sc2ccccc2n1CC(=O)c1ccccc1OC(F)F 5571906 LGFIWISKWXUNGH-UHFFFAOYSA-N 334.347 3.667 0 50 EHAA Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(F)c3)n2)cc1 5865926 ZBJWKICATDGDOW-UHFFFAOYSA-N 342.399 3.650 0 50 EHAA Cc1ccccc1[C@H](CC(=O)N1CCCN(C)CC1)c1ccccc1 12072826 RFYJXEFTNXLIAV-OAQYLSRUSA-N 336.479 3.681 0 50 EHAA O=C(c1cscn1)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 12385293 VCLYXUWPJNCNEZ-LBPRGKRZSA-N 336.407 3.906 0 50 EHAA O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H]1c1cccs1 15836287 UGTBIAJCFVRLNI-SECBINFHSA-N 333.887 3.989 0 50 EHAA Cc1ccc(NC(=O)N2CCN(Cc3ccccc3C)CC2)cc1C 20418542 OASAZTWYCHTZNC-UHFFFAOYSA-N 337.467 3.962 0 50 EHAA c1ccc(C(CCNc2ccc3nncn3n2)c2ccccc2)cc1 20714563 MQZFQVFIOYXARK-UHFFFAOYSA-N 329.407 3.758 0 50 EHAA Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C)c3)nc2c1C 63856366 YEDIUSBXOHEOKD-CQSZACIVSA-N 348.450 3.877 0 50 EHAA Clc1ccc([C@@H]2c3nc[nH]c3CCN2Cc2cccnc2)s1 67847661 JRHNOYLZKMRCSN-MRXNPFEDSA-N 330.844 3.667 0 50 EHAA COc1ccc(CN2CCCC2)cc1Oc1ccc(F)c(CO)c1 67974271 HKOIEBMVNAXADT-UHFFFAOYSA-N 331.387 3.715 0 50 EHAA CSCc1noc(CN2CCCC[C@@H]2CCc2ccc(O)cc2)n1 72154809 VJDWPMUMNUQPTH-OAHLLOKOSA-N 347.484 3.626 0 50 EHAA C=Cc1cccc(CN2CCC3(CC2)CCN(C(=O)C2CC2)CC3)c1 72171166 SFOODNPVSGFHSZ-UHFFFAOYSA-N 338.495 3.944 0 50 EHAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3cnn4ccccc34)C2)cc1 77355622 AIMJMKCYZQMKDS-KRWDZBQOSA-N 349.434 3.574 0 50 EHAA Cc1cccc(C(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)n1 77357943 PKBDGHDDKUXIPD-HXUWFJFHSA-N 337.467 3.819 0 50 EHAA CCCCN1C[C@@]2(CCCN(Cc3cccc(Cl)n3)C2)CCC1=O 77440084 QUWWVRVNMPEDSK-IBGZPJMESA-N 349.906 3.740 0 50 EHAA C[C@@H](c1ccccc1)c1nccn1CCCOC1CCN(C)CC1 77454904 GXWDQZVJFZJBHX-KRWDZBQOSA-N 327.472 3.536 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(-n3ccnc3[C@@H]3CCOC3)cc2)o1 77488461 VZYNEXMEDSEFEE-CQSZACIVSA-N 337.379 3.530 0 50 EHAA Cc1ncsc1CN1CCC[C@H]1c1nc(-c2ccccc2)no1 77488778 PTSUCYXXDZFYLC-AWEZNQCLSA-N 326.425 3.839 0 50 EHAA C[C@@H](CCc1ccccc1)N1CCC2(CC1)Nc1ccccc1NC2=O 82137578 XSCGFJYGFKKPLN-KRWDZBQOSA-N 349.478 3.907 0 50 EHAA CCN1C[C@H](c2ccccc2)CC2(CCN(c3cnccn3)CC2)C1 91434802 GRLHHKBLPZJKPD-LJQANCHMSA-N 336.483 3.573 0 50 EHAA CC(C)c1ncc(CN2CCC[C@H](c3cccc(C(=O)O)c3)C2)cn1 95375675 RRMNYQUXVKMZSQ-SFHVURJKSA-N 339.439 3.678 0 50 EHAA O=C(CCN1CCC(Oc2ccccc2)CC1)c1ccc(F)cc1 96027207 TZQTUOQAPRMZDY-UHFFFAOYSA-N 327.399 3.942 0 50 EHAA Cc1ccnc([C@H](Nc2nc(C)nc3scc(C)c23)C2CC2)n1 128616547 NFZTXDJLJFPEJK-CQSZACIVSA-N 325.441 3.970 0 50 EHAA Cc1n[nH]c(C)c1NC(=O)Nc1ccn(-c2ccccc2Cl)n1 132817885 PNLJSPLVSNKAOS-UHFFFAOYSA-N 330.779 3.510 0 50 EHAA C[C@@H]1CN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)CC(C)(C)O1 133526134 QAIMRYMCSDXFEC-GFCCVEGCSA-N 348.443 3.518 0 50 EHAA O=C1C[C@@H](c2noc(-c3cccc(F)c3)n2)CN1C1CCCCC1 169762196 BNDWKINBOCWCNE-CYBMUJFWSA-N 329.375 3.524 0 50 EHAA Cc1nc(NC(=O)[C@@H]2CSCCS2)c(-c2ccccc2)s1 170595458 SNZZFIACISQZBI-LBPRGKRZSA-N 336.507 3.906 0 50 EHAA Cc1nccc(-c2cccc(NC(=O)CCn3ccnc3C(C)C)c2)n1 173908594 QCONMCZCEULGLT-UHFFFAOYSA-N 349.438 3.801 0 50 EHAA CC(=O)c1ccc(NC(=O)N2CCCN(C3CCCC3)CC2)cc1C 179052672 KRBSSHKQCGOHBV-UHFFFAOYSA-N 343.471 3.680 0 50 EHAA Cc1ccc(CC(=O)N[C@H](c2ccccc2)c2nccs2)cc1O 180332575 HFVNGTLRMCRFCT-GOSISDBHSA-N 338.432 3.605 0 50 EHAA C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H]2c2ccncc2)cn1 189646233 IDNRQDZAKNIEMG-SUMWQHHRSA-N 325.416 3.618 0 50 EHAA C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1nc2ccccc2s1 191449781 AXEGQNWSVSLIKF-QWRGUYRKSA-N 349.456 3.784 0 50 EHAA Cc1ccccc1CN(Cc1ccccn1)c1ncnc2onc(C)c12 192464649 BAUJGEJECLRLIV-UHFFFAOYSA-N 345.406 3.836 0 50 EHAA OCC1CCN(c2ccc(NCc3sccc3Cl)nc2)CC1 192751563 HTTKJLWPVXWKHS-UHFFFAOYSA-N 337.876 3.617 0 50 EHAA CC(C)[C@@H](O)CC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 194059471 MCDAUBMNAMHBPZ-ROUUACIJSA-N 341.455 3.537 0 50 EHAA C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1)c1ccccn1 239367069 AHEPDGHZWJOHMK-CQDKDKBSSA-N 345.240 3.825 0 50 EHAA CC(C)Cn1cncc1CN(C)CCc1nc2cc(Cl)ccc2[nH]1 244858661 VPSYGXWTLDLUCK-UHFFFAOYSA-N 345.878 3.743 0 50 EHAA C[C@H](NCc1ccccc1CN1CC[C@@H](O)C1)c1cccc(Cl)c1 248436699 GLMGOLARIGOMTN-MGPUTAFESA-N 344.886 3.757 0 50 EHAA CCc1nc2ccccc2c(C(=O)N2CCC(c3ccn[nH]3)CC2)c1C 253404007 BGMVBQSINWKKGO-UHFFFAOYSA-N 348.450 3.849 0 50 EHAA O=C(CCCn1cccc1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 456702327 QDYLSZVWLMHBQT-GOSISDBHSA-N 336.439 3.898 0 50 EHAA Cc1ccc(CCC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)o1 471692596 LKJWENVFUUCIGF-UHFFFAOYSA-N 335.407 3.713 0 50 EHAA O=C(O)[C@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)C1CCCC1 663040028 MWIHXCVRLPIVCL-NSHDSACASA-N 332.183 3.529 0 50 EHAA Cc1ccc2nc(CNC3CCN(c4ccccc4C)CC3)[nH]c2c1 825206904 YRJFCNHGPJNZCO-UHFFFAOYSA-N 334.467 3.938 0 50 EHAA COc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(F)c([C@@H](C)O)c1)C2 908175835 AZFDNEXMQFQRLZ-IUODEOHRSA-N 343.398 3.631 0 50 EHAA CC(C)c1ccc(O[C@H](C)CNC2CCN(CC(F)F)CC2)cc1 952845792 WXHCLVIPGKNQCW-OAHLLOKOSA-N 340.458 3.896 0 50 EHAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1cnc(SC)nc1 952969865 AYJVGWOSFJFNGT-OAHLLOKOSA-N 330.457 3.597 0 50 EHAA CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cnn2cccnc12 952978165 AXZMTAHZQYXDGG-HXUWFJFHSA-N 345.450 3.966 0 50 EHAA CCCn1ncnc1[C@H](C)NC1CCN(c2cccc(C)c2C)CC1 1506399468 NHJLYSFKJLBKFV-KRWDZBQOSA-N 341.503 3.625 0 50 EHAA CN(Cc1nc(C(F)(F)F)no1)C[C@]1(c2ccccc2)CC1(C)C 1506430051 XCWHCOIHUDWXQI-INIZCTEOSA-N 339.361 3.888 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CCc3ccc(Cl)cc3)C[C@H]2C1 1529196402 ZLBNVAMTZJRVKB-AMBYYYRHSA-N 348.918 3.850 0 50 EHAA CC(C)c1cnc(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)nc1 1704344185 QBRTUEBTSLTMJU-UZLBHIALSA-N 348.450 3.818 0 50 EHAA C1=CCC2(C1)CN(Cc1nnc(N3CCCC3)o1)[C@@H]2c1ccccc1 1875281823 ZHRQOGQJVMSACC-GOSISDBHSA-N 336.439 3.563 0 50 EHAA Cc1cnc(N(C)C(=O)c2ccnc(SCC(F)(F)F)c2)s1 1875298223 SEIQITUMMOSDQV-UHFFFAOYSA-N 347.387 3.778 0 50 EHAA COC1CC(NC(=O)Nc2cc(Cl)cc(-c3ccncc3)c2)C1 1875318715 TYEUZEXXSRLAOR-UHFFFAOYSA-N 331.803 3.701 0 50 EHAA Cc1c(Nc2ccc(CC(=O)N(C)C)cc2)cccc1N1CCCC1 2100556717 QLQZVFKUFIUQQS-UHFFFAOYSA-N 337.467 3.970 0 50 EHAA Cc1c(CN(C)C(=O)C[C@H](N)c2nccs2)oc2c(C)cccc12 2325768781 NGJXJFWKVKBUGK-AWEZNQCLSA-N 343.452 3.555 0 50 EHAA C[C@@H](NC(=O)Nc1cc(CN(C)C)ccn1)c1cccc2cccnc12 2325769555 XJHVDHOXNOXZTJ-CQSZACIVSA-N 349.438 3.574 0 50 EHAA C[C@H](O)CN=c1nc(-c2cccc(C(F)(F)F)c2)c2ccccc2[nH]1 2325816688 XMIHTSDMJFVELC-NSHDSACASA-N 347.340 3.530 0 50 EHAA C[C@@H]1CN(Cc2cnc(-c3ccccc3)nc2)c2ccccc2CN1 2325858331 IULGATJWVAALOS-MRXNPFEDSA-N 330.435 3.642 0 50 EHAA O=C(CSc1nnc2sc3ccccc3n12)c1cccs1 91795 SEUQWMSFPVOYCN-UHFFFAOYSA-N 331.447 3.981 0 50 EHAA Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1C 382064 WKKJUNVKXHBXIZ-CQSZACIVSA-N 342.826 3.948 0 50 EHAA Cc1ccccc1NC(=O)CCc1nc(-c2ccccc2F)no1 428188 STLWJIGCXVZQDY-UHFFFAOYSA-N 325.343 3.755 0 50 EHAA O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc(C(F)(F)F)s1 464632 GMMQDVLZOPPEOX-ZZXKWVIFSA-N 333.722 3.862 0 50 EHAA CCCOc1ccc(Br)cc1C1=CSC2=NCCN12 1837152 UPYVUILNRFRLEC-UHFFFAOYSA-N 339.258 3.955 0 50 EHAA CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccc(Cl)cc2)CC1 2553933 UVPSYFHQUVHQJE-UHFFFAOYSA-N 339.819 3.693 0 50 EHAA Cc1ccc(OCn2ccc(C(=O)NC3CCCCCC3)n2)c(C)c1 2795744 RQKPTSXERYCSAL-UHFFFAOYSA-N 341.455 3.989 0 50 EHAA C[C@@H]1CCC[C@@H](N2CCC(N3CCN(c4ccccc4)CC3)CC2)C1 4712151 SVKBQAXMGBRMLF-DENIHFKCSA-N 341.543 3.852 0 50 EHAA CC[C@@]1(C)OC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)[C@@]1(C)O 4727293 NFDZMYANUCAPEO-SJORKVTESA-N 336.819 3.693 0 50 EHAA CCOc1ccc([C@]2(C)N(O)[C@H](CC)C(c3ccccc3)=[N+]2[O-])cc1 4872677 ZDBDMQMQRXWMFY-UYAOXDASSA-N 340.423 3.741 0 50 EHAA O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccc(F)c1 4950175 LIVSUARFRAENQU-UHFFFAOYSA-N 332.338 3.788 0 50 EHAA COCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1cccc(C)c1 15078316 CHKVUYMBQXGZLX-OAQYLSRUSA-N 334.419 3.597 0 50 EHAA COc1cc2c(cc1OC)CN([C@H](C)CCc1ccc(O)cc1)CC2 23282515 FRJHNKLYKZVVNQ-OAHLLOKOSA-N 341.451 3.789 0 50 EHAA O=C(O)c1c(Cl)cc(Br)c(Br)c1F 36532831 QURNCQBTZOBERF-UHFFFAOYSA-N 332.350 3.702 0 50 EHAA CC[C@@H](C)N(Cc1ccccc1F)C(=O)c1cc(Cl)c[nH]c1=O 55168620 AJEBFYDNBFNEEW-LLVKDONJSA-N 336.794 3.608 0 50 EHAA CCOc1ccc(-c2c[nH]c(-c3cccnc3OC)n2)cc1OCC 71278755 XLKSCNBOKRJZEW-UHFFFAOYSA-N 339.395 3.945 0 50 EHAA Cc1cc([C@@H]2CCCN2Cc2nnc(-c3cccc(F)c3)o2)on1 75640497 IYGMRPJVPDZTBJ-AWEZNQCLSA-N 328.347 3.509 0 50 EHAA CCCc1ccc2oc(C(=O)N(CCO)Cc3ccco3)c(C)c2c1 77539717 RJADCLHADKWEJU-UHFFFAOYSA-N 341.407 3.921 0 50 EHAA O=C(c1ccc(Oc2ccccc2)o1)N1Cc2ccccc2[C@@H](O)C1 82108855 TWLWIPNVFJBBQS-KRWDZBQOSA-N 335.359 3.761 0 50 EHAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)CCc4cccnc4)C3)nc12 82145955 HGRNVKRUMPRMRG-KRWDZBQOSA-N 348.450 3.605 0 50 EHAA Cc1cc(N[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)nc(N)n1 91817739 ZNDSYOAOEYIDDV-CYBMUJFWSA-N 340.475 3.580 0 50 EHAA CCN1C[C@H](c2ccccc2)CC2(CCN(c3ncccn3)CC2)C1 92028540 DVYJDMDTZSQOGP-LJQANCHMSA-N 336.483 3.573 0 50 EHAA Cc1cc(C(=O)N(Cc2ccco2)c2ccccn2)c2c(C)noc2n1 119623858 NANOPGDEDCUWLV-UHFFFAOYSA-N 348.362 3.675 0 50 EHAA O=C(N[C@@H]1COc2ccccc2C1=O)c1sccc1-c1ccccc1 129036837 KRKXEUIVYVVMOO-MRXNPFEDSA-N 349.411 3.789 0 50 EHAA Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccncc1F 132839364 HBFKZUYRJURGOS-UHFFFAOYSA-N 335.382 3.767 0 50 EHAA COCCC1(C(=O)Nc2nc3c(OC)cc(F)cc3s2)CCC1 153475050 LKVLLYKMXTVFJP-UHFFFAOYSA-N 338.404 3.589 0 50 EHAA CCCn1nccc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 180503151 VQRFPDGRPPMLRT-ZBFHGGJFSA-N 348.834 3.598 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc([C@H]2C[C@H]2C)o1 190424321 GVUNRNNFCPEDJA-VKZRIFJHSA-N 329.444 3.629 0 50 EHAA CCCn1ccnc1CN1CCC[C@@H]1c1ccc(CN(C)C)cc1 216202916 MRIJCZBOSRZRLJ-LJQANCHMSA-N 326.488 3.692 0 50 EHAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)CC2 241719810 QPVCPXIFYLDTSO-DIECFANBSA-N 348.437 3.542 0 50 EHAA COC[C@H](N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1 241869050 STYWTTLZSQMTHS-ULQDDVLXSA-N 341.904 3.672 0 50 EHAA COc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccncc2F)cc1 253392311 UIWBEKRJDUTKLH-ACJLOTCBSA-N 343.402 3.837 0 50 EHAA CC(C)C[C@H](NC(=O)[C@@H](C)c1ccccn1)c1nc2ccccc2[nH]1 253404989 XBYZAUJOOXABCN-KSSFIOAISA-N 336.439 3.965 0 50 EHAA CC(=O)c1ccc2c(c1)CCN(C(=O)c1cc3sccc3[nH]1)CC2 253430761 FUONYRSKZAOMEP-UHFFFAOYSA-N 338.432 3.673 0 50 EHAA CC(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(C)s2)cs1 270254357 UEUWEGDXMKGQRX-ZDUSSCGKSA-N 349.481 3.520 0 50 EHAA CN1CCC(N(Cc2ccccc2)C(=O)c2ccnc(C3CC3)c2)CC1 341306968 JOFJPBGHUJWDIO-UHFFFAOYSA-N 349.478 3.696 0 50 EHAA O=S(=O)(c1ccco1)N1Cc2ccccc2[C@H](c2ccccc2)C1 445735482 UCQFYTRCRHCAEA-SFHVURJKSA-N 339.416 3.616 0 50 EHAA O=C(OC[C@@H]1CC[C@@H](c2ccccc2)O1)c1ncnc2ccsc12 851047136 VBRUURFVJVERKW-ZFWWWQNUSA-N 340.404 3.768 0 50 EHAA Clc1ccc(OCCCc2nnc3n2CCCC3)c(Cl)c1 863967177 KPIBBACEOQKTPU-UHFFFAOYSA-N 326.227 3.933 0 50 EHAA Cc1nc([C@@H](C)NC(=O)N2CC=C(c3cccc(C)c3C)CC2)no1 1333777343 RTFHDRSPVMNHSH-CQSZACIVSA-N 340.427 3.555 0 50 EHAA c1cncc(-c2nnc(CN3CCC4(CCc5ccccc54)CC3)o2)c1 1506405431 ADGXMGSMVHKJBQ-UHFFFAOYSA-N 346.434 3.612 0 50 EHAA C[C@@H](C(=O)NC1CCCCC1)N(C)Cc1cccc2cnccc12 1529158512 DOQZWGRCBWQUSQ-HNNXBMFYSA-N 325.456 3.504 0 50 EHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H]2CCC(=O)N(C)C2)ccc1F 1775984421 SVDNKLLLNKXDKG-KANFNMMFSA-N 344.474 3.713 0 50 EHAA C[C@H](Oc1ccc(Cl)nc1)c1nc(-c2cc(C3CC3)[nH]n2)no1 1875286365 RQLYFPYRJZBGHE-QMMMGPOBSA-N 331.763 3.526 0 50 EHAA CCn1nccc1NC(=O)NC1(C(F)(F)F)CCC(F)(F)CC1 1875289508 XRTZPVSGNDQSSO-UHFFFAOYSA-N 340.296 3.535 0 50 EHAA Cc1ccncc1NC(=O)c1ccc(NC(=O)Nc2cccnc2)cc1 1875327604 BJLPNVNPWHXEIY-UHFFFAOYSA-N 347.378 3.681 0 50 EHAA CC(C)[C@@H]1CCc2sc(C(=O)NC3([C@H]4CCCNC4)CC3)cc2C1 1875406042 VJRURFLPBNOGEV-ZBFHGGJFSA-N 346.540 3.771 0 50 EHAA O=C(Nc1ccccc1Cc1ccccc1)c1cc2cccn2c(O)n1 2325821541 XFPRBRKAYAHFKF-UHFFFAOYSA-N 343.386 3.883 0 50 EHAA O=C(Nc1ccc(I)cc1)c1ccc(F)cc1 54778 XCQDZOSGJCUQMO-UHFFFAOYSA-N 341.123 3.683 0 50 EHAA Nn1c(SCCc2ccccc2)nnc1-c1ccccc1Cl 151024 ABGJGMRCMRGDTG-UHFFFAOYSA-N 330.844 3.647 0 50 EHAA CC1(C)[C@H](C(=O)Nc2nc3ccccc3s2)CC[C@]1(C)C(=O)O 191664 MUKSDTCHANCPAN-DYZYQPBXSA-N 332.425 3.762 0 50 EHAA COC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 411250 NZGJTJOIRYYJIZ-UHFFFAOYSA-N 339.420 3.508 0 50 EHAA CC(C)CCNc1ncnc2c1cnn2Cc1ccc(Cl)cc1 521241 XJKMWAUGBUXMDJ-UHFFFAOYSA-N 329.835 3.986 0 50 EHAA CC(C)(C)[C@@H](O)[C@H](Cc1ccc(Cl)cc1Cl)n1cncn1 967742 URDNHJIVMYZFRT-KBPBESRZSA-N 328.243 3.776 0 50 EHAA biogenic,in-vitro O=C(NC(=S)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 2582361 OSKGYRYYAGHJHS-UHFFFAOYSA-N 340.326 3.712 0 50 EHAA CCCOc1ccc(OCCOCCNCc2ccccc2)cc1 2823488 XNRPKLWHKPOJCP-UHFFFAOYSA-N 329.440 3.661 0 50 EHAA N[C@@H](CC(=O)O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 4051280 NVKJHUJOTYZSCP-AWEZNQCLSA-N 325.286 3.972 0 50 EHAA O=S1(=O)N=C(Oc2ccc(-c3ccccc3)cc2)c2ccccc21 4405269 WAWHLAQDJRQRRD-UHFFFAOYSA-N 335.384 3.882 0 50 EHAA COc1ccc(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(Cl)cc2)cc1 5525672 BJLIVVSDLXNEDM-ZWKOTPCHSA-N 329.827 3.877 0 50 EHAA CCOC(=O)c1cnc(SC)nc1Oc1cccc2cccnc12 5710706 PEALGRHCWHNSGV-UHFFFAOYSA-N 341.392 3.716 0 50 EHAA O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(Cl)c1 12653819 UJCVCGMQSZENGI-UHFFFAOYSA-N 348.189 3.973 0 50 EHAA CCc1ccc(-c2n[nH]c3c2CN(c2ccc(Cl)nn2)CC3)cc1 20599732 XSPWETHIXYGCOH-UHFFFAOYSA-N 339.830 3.645 0 50 EHAA Cc1nsc(NC(=O)N2CCCC[C@H]2CCc2cccs2)n1 20600491 VEKYLTVIZQTDHN-LBPRGKRZSA-N 336.486 3.927 0 50 EHAA CCOC(=O)c1c(N)sc2c1-c1ccc(Br)cc1C2 31829550 HFCZZIISZKKSIO-UHFFFAOYSA-N 338.226 3.841 0 50 EHAA Cc1cc(Cl)ccc1NC(=O)c1cn2c3c(cccc3c1=O)CC2 33088747 GODMSQWMHVEOQI-UHFFFAOYSA-N 338.794 3.772 0 50 EHAA O=C(CCc1ccccc1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 44917153 IBVJUEMTUMZIPI-GOSISDBHSA-N 335.407 3.986 0 50 EHAA CCc1oc(C(=O)N(C)[C@H](C)c2ccon2)cc1CN(CC)CC 55269811 IBWMTFSYSQRBCS-CYBMUJFWSA-N 333.432 3.505 0 50 EHAA Cc1cccc(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)CC2)n1 65371895 YNPSOUYXCJTQEZ-NRFANRHFSA-N 334.419 3.861 0 50 EHAA CCOc1ccccc1NC(=O)N1CCC[C@H]1c1nc(C(C)C)no1 77300512 OGDLSLLXMYNCNA-AWEZNQCLSA-N 344.415 3.961 0 50 EHAA Cc1cc(N2CCC(c3nccn3Cc3cccnc3)CC2)cc(C)n1 91440188 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0 50 EHAA COc1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 2670038 MRZLWMYZXMVHKE-UHFFFAOYSA-N 346.883 3.846 0 50 EHAA COc1ccc(OC)c(-n2c(S)nnc2-c2cccc(C)c2)c1 4888918 SXZYPSMAZCHFQO-UHFFFAOYSA-N 327.409 3.549 0 50 EHAA CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)OC)c1C 8494154 BOGNQSWROWLGIV-QGZVFWFLSA-N 327.380 3.578 0 50 EHAA Cc1c(C)n(CC(C)C)c2ncn3nc(Cc4ccccc4)nc3c12 9183877 KBMJUWRGXBXDDT-UHFFFAOYSA-N 333.439 3.943 0 50 EHAA Cc1ccc(Oc2ncccc2CNc2ncccn2)c(F)c1F 12304596 HJJMQBBJXUCVHR-UHFFFAOYSA-N 328.322 3.863 0 50 EHAA Cc1ccc(CN2CCN(C(=O)c3ccccc3Cl)CC2)cc1 16602667 SBGVJNXIXPOWCL-UHFFFAOYSA-N 328.843 3.606 0 50 EHAA c1ccc(C(Cc2noc(-c3ccnnc3)n2)c2ccccc2)cc1 20820396 CIWMBKJICBXVGS-UHFFFAOYSA-N 328.375 3.901 0 50 EHAA O=c1cc(O)nc(SCc2ccc(Cl)cc2)n1-c1ccccc1 23114739 XFQCNCVVSPYSJC-UHFFFAOYSA-N 344.823 3.884 0 50 EHAA C=C[C@@](C)(CO)C[C@@H](OCOC)[C@@]1(C)C2=C(CCC2=O)CC[C@H]1C 43762546 BFZGQDFVOSRBKZ-JRJVTICQSA-N 336.472 3.646 0 50 EHAA Cc1ccn2c3c(nc2c1)CNC(=O)C[C@@H]3c1cc2ccccc2o1 65467657 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c1coc(Cn2c(SC3CCOCC3)nnc2-c2cccs2)c1 128874369 OGBWGMGCIXEUCU-UHFFFAOYSA-N 347.465 3.919 0 50 EHAA Cc1cccc(CNC(=O)c2ccccc2COC2CCOCC2)c1 134872167 ODHBEOOTQSTLNC-UHFFFAOYSA-N 339.435 3.621 0 50 EHAA CSCC[C@@H](NCc1ccc(-c2ccccc2)cc1F)C(=O)O 170612852 FQZGDZFLMDOPNN-QGZVFWFLSA-N 333.428 3.789 0 50 EHAA COc1cccc2c1OCC(C(=O)N1CCCc3cccc(F)c31)=C2 170613430 KBLUABVSUPBABG-UHFFFAOYSA-N 339.366 3.590 0 50 EHAA Cc1ncc(CNc2ccc(Cl)cc2C(=O)N2CCCC2)s1 172880249 YJMFSPSNCNGSGD-UHFFFAOYSA-N 335.860 3.953 0 50 EHAA Cc1cnc([C@H](NC(=O)c2cc(-c3ccco3)on2)C2CC2)s1 174033119 OPAVMNTVJPSLDA-CQSZACIVSA-N 329.381 3.581 0 50 EHAA Cc1nc(C)c(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)o1 174225201 YRPAFJFPEGBSEX-MRXNPFEDSA-N 336.395 3.666 0 50 EHAA O=C(c1cccnc1C(F)(F)F)N1CCS[C@H]2CCCC[C@@H]21 188970314 IHFYDPLVBMYDOE-RYUDHWBXSA-N 330.375 3.601 0 50 EHAA COc1ccc(Cc2noc([C@@H](C)N3CCc4ccccc4C3)n2)cc1 191166776 JFYUJBDTQGMYHH-OAHLLOKOSA-N 349.434 3.788 0 50 EHAA COc1cc(OC)c(CN2CCC([C@@H](O)C(C)C)CC2)cc1Cl 215130174 SEQFGJRBLLSDNG-SFHVURJKSA-N 341.879 3.586 0 50 EHAA Fc1cc(-c2ccc(CN3CCOCC3)cn2)cc(C(F)(F)F)c1 215828536 DWXQPLVDFQODAK-UHFFFAOYSA-N 340.320 3.739 0 50 EHAA COc1ccc([C@@H]2CCCCCN2C(=O)CSc2ncco2)cc1 241262061 LBBKALVMKDPWOE-INIZCTEOSA-N 346.452 3.919 0 50 EHAA Cc1ccc(C[C@@H](NC(=O)[C@@H](C)c2ccccn2)c2ccccn2)cc1 241739145 RAJXZCKKVZJGOY-LAUBAEHRSA-N 345.446 3.989 0 50 EHAA CN1CCC[C@H]1[C@H]1CCCN1Cc1cnc(-c2ccccc2)s1 252477853 WLJWOZWZZKPKTJ-ZWKOTPCHSA-N 327.497 3.869 0 50 EHAA O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1ccsc1 252489202 JKJNHEBMSMTMHW-ZDUSSCGKSA-N 337.242 3.787 0 50 EHAA CCN(C)c1ccc(CNC[C@@H](O)c2ccc3ccccc3c2)cn1 252492280 MHFKCTKRIDMFEK-HXUWFJFHSA-N 335.451 3.514 0 50 EHAA COc1ccc(C(=O)N2CCCCC[C@H]2c2ncon2)cc1C1CC1 278332324 FAPSQPJOIUDAOI-INIZCTEOSA-N 341.411 3.713 0 50 EHAA Cc1n[nH]c(C)c1-c1cccc(C(=O)N(C)CC[C@@H]2CCCCO2)c1 299777204 BGIZKADNYQXUBT-SFHVURJKSA-N 341.455 3.725 0 50 EHAA Cc1ccc2nc([C@@H]3CCCN(C(=O)C(C)(C)C(F)F)C3)[nH]c2c1 350658900 YZZCTXLPZLGCPS-GFCCVEGCSA-N 335.398 3.869 0 50 EHAA CCOc1ccc(OCc2nc([C@H]3CCCO3)n(C(C)(C)C)n2)cc1 584891193 FMFAEPIEOIGWRG-MRXNPFEDSA-N 345.443 3.862 0 50 EHAA Cc1noc(C)c1Cc1nc(Cc2cccs2)nn1C(C)(C)C 825306839 XPKGTSABOVWPMM-UHFFFAOYSA-N 330.457 3.881 0 50 EHAA NCCCC[C@H](N)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 952871696 BMRQXBWHQISKTF-INIZCTEOSA-N 347.846 3.527 0 50 EHAA Clc1ccccc1-c1cc(CNC2CSCCSC2)no1 1506398498 DSORNZSJPBSKRL-UHFFFAOYSA-N 340.901 3.933 0 50 EHAA CCc1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1 1775986612 ATEAUOZTOFFMAP-IBGZPJMESA-N 347.422 3.547 0 50 EHAA CN(C(=O)CCc1ncc(F)cn1)[C@@H]1CCCC[C@H]1c1ccccc1 1875284498 XFCZIUSMVITKQR-ZWKOTPCHSA-N 341.430 3.733 0 50 EHAA CC[C@@H](C)[C@@H](C)NC(=O)c1c(NC(=O)C(C)(C)C)cccc1OC 1875357458 IFLRLFYEVYXCJD-CHWSQXEVSA-N 334.460 3.844 0 50 EHAA CC(C)(C)c1ccc([C@@H](O)CCC(=O)NC2([C@@H]3CCCO3)CC2)cc1 2325781415 NJVHZJLIBHQASN-ROUUACIJSA-N 345.483 3.626 0 50 EHAA Cc1ccc(-c2cccc(CNS(=O)(=O)c3cncs3)c2)cc1 2325855345 SYQWJSJBRFKZDV-UHFFFAOYSA-N 344.461 3.597 0 50 EHAA N[C@H]1CCCc2ccc(C(=O)NCC[C@H]3CCc4ccccc43)cc21 2325864592 SWCCHSTYZWIOEX-UTKZUKDTSA-N 334.463 3.873 0 50 EHAA COc1ccc(CN2CC3(COc4ccccc4C3)C2)cc1Cl 2356151186 WFZVXGWEIQCJAE-UHFFFAOYSA-N 329.827 3.786 0 50 EHAA O=C(CCCOc1ccccc1)NCc1cccc2ncsc12 2356162268 FHZUOUOQIBYLJF-UHFFFAOYSA-N 326.421 3.772 0 50 EHAA CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3o2)c1 95829 BXBBAGWIVZTTEE-UHFFFAOYSA-N 326.377 3.761 0 50 EHAA O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc2c(c1)OCO2 176180 ITDXDDPJYAONPN-UHFFFAOYSA-N 332.768 3.931 0 50 EHAA CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 303100 BYVJTFVWOWIDDU-HNNXBMFYSA-N 340.398 3.941 0 50 EHAA COc1ccc2[nH]cc(CCNC(=O)Cc3c[nH]c4ccccc34)c2c1 408650 KRYKYFSLBYAUQN-UHFFFAOYSA-N 347.418 3.559 0 50 EHAA C[C@@H]1C[C@@H](NC(=O)c2cncc(Br)c2)CC(C)(C)C1 860171 OAIGEWRXTPQJMC-ZWNOBZJWSA-N 325.250 3.789 0 50 EHAA CCOc1ccc(OCCOc2ccc(C=O)cc2OCC)cc1 3299688 SLDKSLKSXJVBBX-UHFFFAOYSA-N 330.380 3.754 0 50 EHAA Cc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 6715656 GTTFDBFIJZWBNC-UHFFFAOYSA-N 327.403 3.797 0 50 EHAA CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 9259200 XXBHSYDLVRHPPG-HZPDHXFCSA-N 346.427 3.501 0 50 EHAA CC1(C)C[C@@H](NS(=O)(=O)Cc2ccccc2F)c2ccccc2O1 10544189 OUZAHXYMFGHAHU-MRXNPFEDSA-N 349.427 3.548 0 50 EHAA CC(C)CN1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 11667848 KRVFMECDRKDYJW-SFHVURJKSA-N 339.439 3.933 0 50 EHAA CSC(C)(C)C[C@@H](C)N1CCC(CCC(=O)NC2CC2)CC1 12763862 GVZYVPFTHBQUPB-CQSZACIVSA-N 326.550 3.677 0 50 EHAA O=C(Nc1ccc(Cl)cc1)N1CCN(Cc2cccs2)CC1 13322761 STZHNEZEUPOFCM-UHFFFAOYSA-N 335.860 3.751 0 50 EHAA COc1ccccc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C1CC1 16625268 KUVOASQKEJKQIF-UHFFFAOYSA-N 348.406 3.714 0 50 EHAA COc1ccc(-c2n[nH]cc2-c2nc3c(cnn3C3CCCC3)[nH]2)cc1 19227341 IIJRGDMOPIKOSI-UHFFFAOYSA-N 348.410 3.940 0 50 EHAA N=c1n(Cc2ccccc2)c2ccccc2n1C[C@@H](O)c1cccs1 19771395 FUSMUZNHMXYEGC-GOSISDBHSA-N 349.459 3.766 0 50 EHAA Cc1nnc(CN(C)Cc2nc(-c3cccc(Cl)c3)oc2C)o1 23367166 CKLBXBYDNXQSPC-UHFFFAOYSA-N 332.791 3.627 0 50 EHAA Cc1cc2cc(C(=O)NCc3noc(Cc4ccccc4)n3)ccc2o1 65410756 OBISQKVOHHDNKP-UHFFFAOYSA-N 347.374 3.645 0 50 EHAA O=C(O)c1ccc(C[C@@H]2CCN(C(=O)c3ccccc3Cl)C2)cc1 72448221 WNCSQVCHYAIYJX-AWEZNQCLSA-N 343.810 3.743 0 50 EHAA COCCC[C@H]1CCCCN1C(=O)c1ccc(OC)c(Cl)c1 82138614 CDZAXZCDXAHCQO-CQSZACIVSA-N 325.836 3.770 0 50 EHAA CC(C)c1cc(C(=O)NCCc2cccc(C(F)(F)F)c2)on1 91593688 QINPCZQSBHWMDD-UHFFFAOYSA-N 326.318 3.789 0 50 EHAA C[C@H](c1ccc(-c2cn(C3Cc4ccccc4C3)nn2)cc1)N(C)C 91663298 YXCRURLLNPCUSY-OAHLLOKOSA-N 332.451 3.908 0 50 EHAA CCC[C@@]1(CO)CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 92028437 LDDHKWRMBAXHCE-MRXNPFEDSA-N 329.362 3.720 0 50 EHAA CCCc1cncnc1N1CCC(NCc2cc3ccccc3[nH]2)CC1 95524591 QEXWJQREVGTOEP-UHFFFAOYSA-N 349.482 3.669 0 50 EHAA CCc1ncc(C(=O)N(CC)CCSc2ccc(C)cc2)cn1 97137385 JITHEEGWJAUDCC-UHFFFAOYSA-N 329.469 3.602 0 50 EHAA Cc1cc(C)n(-c2cccc(CN3CCC[C@@H](c4ccncn4)C3)c2)n1 97674251 SRYHSBXYCHJABF-LJQANCHMSA-N 347.466 3.659 0 50 EHAA C[C@H](NC(=O)c1ccc2nccnc2c1)c1cccc(OC(F)F)c1 121660715 UQABWGQTLINEOJ-NSHDSACASA-N 343.333 3.722 0 50 EHAA CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCCc3[nH]ncc32)o1 134401682 DMYSUDMJMMQHMP-PBHICJAKSA-N 327.428 3.739 0 50 EHAA Cn1ccnc1C[C@H]1CCCN(C(=O)Nc2ccccc2Cl)C1 151528237 BULXOTRYQPJDCM-CYBMUJFWSA-N 332.835 3.560 0 50 EHAA O=C(Nc1ccccc1Cl)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 151910013 PPCAYULKCHDFOG-CQSZACIVSA-N 349.862 3.643 0 50 EHAA C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)C3(C(=O)O)CC3)c2)C1 154836405 CBECHBJZNDQVJE-CZUORRHYSA-N 331.412 3.585 0 50 EHAA O=C1CCCCN1Cc1cccc(NC(=O)N2CC[C@H]3CCC[C@H]32)c1 170085934 SIJWGDQHRAURGN-SJLPKXTDSA-N 341.455 3.605 0 50 EHAA CCCCCCOc1ccc(CN[C@@H](C(=O)O)C(C)C)cc1OC 170612858 UVTFIKOZHKHNRA-GOSISDBHSA-N 337.460 3.853 0 50 EHAA COc1ccc2oc([C@@H](C)Nc3ncnc4c3cnn4C)c(C)c2c1 171676285 VQDSPZTWSXNDCI-LLVKDONJSA-N 337.383 3.600 0 50 EHAA CN(CC1(c2ccccc2)CC1)C(=O)NCc1nc(C2CC2)cs1 189399150 GKPABIWGJMCXQX-UHFFFAOYSA-N 341.480 3.894 0 50 EHAA COc1ccc(CN(C)Cc2ccnc(C)c2)cc1CN1CCCC1 215940358 XDRLRZSTKCNTKK-UHFFFAOYSA-N 339.483 3.626 0 50 EHAA CS[C@H](CO)[C@H](C)NCc1ccc(F)c(-c2cccs2)c1 219036653 WSMLMFZMXWRBFT-MEDUHNTESA-N 325.474 3.756 0 50 EHAA CNc1ccc(C(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)cn1 225704644 IBPHEUWIQHSVGF-HNNXBMFYSA-N 341.455 3.662 0 50 EHAA CC1=C[C@H](C)[C@H]([C@@H]2OCCN2C[C@H]2COC3(CCCCC3)O2)[C@@H](C)C1 247856591 CZMVBBLIMRQMTL-HVTWWXFQSA-N 349.515 3.959 0 50 EHAA O=C(CCCc1ccccc1)Nc1ccc2ncn(C3CC3)c(=O)c2c1 253414478 XPIMMUHDDBAQIO-UHFFFAOYSA-N 347.418 3.693 0 50 EHAA CCO[C@H](C)c1nc(CN2CCC[C@H]2c2noc(C3CC3)n2)cs1 257366226 OMMGREAVLPJWTD-RISCZKNCSA-N 348.472 3.838 0 50 EHAA Cc1ccc(NC(=O)CNC(=O)c2occc2C(C)C)c(Cl)c1 283989296 PNKIYNNIHDAAJF-UHFFFAOYSA-N 334.803 3.733 0 50 EHAA COc1cccc(CNCCc2cc(OC)c(Cl)cc2OC)c1 299817106 CSLNJUOCJZCEIR-UHFFFAOYSA-N 335.831 3.698 0 50 EHAA in-vitro Cc1nc2c(C(=O)N3C[C@@H](C)O[C@H](c4ccsc4)C3)cccc2o1 328588577 IZDBSGJVLSPGPS-BZNIZROVSA-N 342.420 3.800 0 50 EHAA Cc1ccsc1CNC[C@H]1CCc2nc(C(F)(F)F)cn2C1 328628439 HGNWHDOTOXRTSL-LLVKDONJSA-N 329.391 3.624 0 50 EHAA C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cnn(-c2cccnc2)c1 345255112 BLLHAXTYFFYQOA-ZDUSSCGKSA-N 340.814 3.754 0 50 EHAA COc1ccccc1[C@H]1CCCN1C(=O)c1oc(C2CC2)nc1C 363914694 VVMFDYFYBLAGHE-OAHLLOKOSA-N 326.396 3.846 0 50 EHAA O=C(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CCC[C@H]1CO 426726876 MFZIXTKCSWCUGJ-HNNXBMFYSA-N 349.352 3.969 0 50 EHAA Fc1ccc(OC[C@H]2CCCO2)c(-c2cncc(-c3ncc[nH]3)c2)c1 649428809 BRRPDUWJYHYGHX-MRXNPFEDSA-N 339.370 3.836 0 50 EHAA COCc1sccc1C(=O)NC(C)(C)c1ccc(F)cc1F 894769037 DRMRZHWQLVXKPC-UHFFFAOYSA-N 325.380 3.838 0 50 EHAA NC1(C(=O)Nc2ccc(OCCCc3ccccc3)cc2)CCCC1 952972952 JMZIWYUGQGRFOD-UHFFFAOYSA-N 338.451 3.908 0 50 EHAA COCCN1C[C@@H]2CC[C@H]1CN(Cc1oc3ccc(C)cc3c1C)C2 1565526531 ZRKHPRKBUDXPES-MSOLQXFVSA-N 342.483 3.592 0 50 EHAA O=C(NCc1nc2ncccc2o1)[C@H](c1ccccc1)C1CCCC1 1857682656 LHEHUHBMPZHSMW-GOSISDBHSA-N 335.407 3.813 0 50 EHAA O=C(c1csc2c1CCCC2)N1CCC(Nc2cccnc2)CC1 1875252763 KHEUNFPRXIWUSJ-UHFFFAOYSA-N 341.480 3.739 0 50 EHAA Cc1ccc(Cn2ccs/c2=N\C(=O)c2c[nH]c3ncccc23)cc1 1875254612 NYPGOBGZVUDKLC-QOCHGBHMSA-N 348.431 3.524 0 50 EHAA Cn1nc(C2CC2)cc1NC(=O)N1CCC[C@@H]1c1cc(F)ccc1F 2325781543 DNLACVPHCYEGPO-MRXNPFEDSA-N 346.381 3.945 0 50 EHAA C[C@H](NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2)c1cccc2ccccc12 2356152206 SWHFOGKUXMVRDS-UOVPBQLFSA-N 338.451 3.846 0 50 EHAA Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c(C)c1 121828 ZHAQHPGNEBMIMO-UHFFFAOYSA-N 340.810 3.735 0 50 EHAA O=C(CSCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 308859 FJYRDRSOJFINNJ-UHFFFAOYSA-N 335.812 3.941 0 50 EHAA COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2C)cc1Cl 310671 TZRWGNDBCLALOJ-SECBINFHSA-N 338.256 3.565 0 50 EHAA O=C(NC(=S)Nc1ccc(F)cc1F)c1ccccc1Cl 398730 ILRCPKWTYRTYMV-UHFFFAOYSA-N 326.755 3.745 0 50 EHAA CCOc1ccc(CC(=O)NCc2ccccc2Cl)cc1OCC 614898 SAPMLQHRMNGBQI-UHFFFAOYSA-N 347.842 3.996 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(Cl)c(Cl)c1 2385862 WJEUUKADFJNOHW-SNVBAGLBSA-N 348.226 3.904 0 50 EHAA in-vitro CC[C@@H]1CCc2c(sc3ncn4nc(-c5ccncc5)nc4c23)C1 2803057 SIIUXTFBNZXLOI-LLVKDONJSA-N 335.436 3.916 0 50 EHAA COc1ccc(NC(=O)CSc2ncnc3sc(C)cc23)cc1 4488366 JUIKQSDNEAZCHG-UHFFFAOYSA-N 345.449 3.739 0 50 EHAA Cc1cc2c(c(-c3ccccn3)c1)O[C@H](CNC(=O)CCC(C)C)C2 12242845 JYNXARAFTZLCDY-KRWDZBQOSA-N 338.451 3.913 0 50 EHAA CC(=O)c1cc(CC(=O)N2CCC[C@@H](Nc3ccccc3)C2)cs1 12439444 NJVMRLAOUJGUFL-QGZVFWFLSA-N 342.464 3.596 0 50 EHAA CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccccc1)C3 12653431 LRSVCMWUGDIRAJ-CYBMUJFWSA-N 338.436 3.539 0 50 EHAA COC(=O)[C@H]1[C@@H](C(=O)O)[C@H](c2ccccc2)C=C[C@H]1c1ccccc1 13154058 ZXGPHADSLBDYNB-CADBVGFASA-N 336.387 3.614 0 50 EHAA O=C1N(c2ccccc2)C(=S)NC1(c1ccccc1)c1ccccc1 13679313 VYCBHDCXQUZIJV-UHFFFAOYSA-N 344.439 3.852 0 50 EHAA O=C1Nc2ccccc2/C1=C/NCc1cccc(Br)c1 16675882 AXWOLTBBHAUOHA-UVTDQMKNSA-N 329.197 3.532 0 50 EHAA COc1ccc([C@@](O)(CNCc2ccccc2)c2ccccc2)cc1 19205315 XXJMRCSHZFLZPI-JOCHJYFZSA-N 333.431 3.721 0 50 EHAA Cc1cc(C)c(NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)c1 20271733 KYPGNJHVODOPQQ-UHFFFAOYSA-N 338.451 3.696 0 50 EHAA CCOC(=O)C1=C(c2ccccc2)O[C@@H](N(C)C)C(c2ccccc2)=C1 22339715 OXFAQXQBBDLEKD-OAQYLSRUSA-N 349.430 3.962 0 50 EHAA Cc1cc2ccccc2n1CC(=O)N1CCO[C@H](c2ccccc2)C1 23897608 ARRIPKFDXOXGBM-FQEVSTJZSA-N 334.419 3.550 0 50 EHAA CC(C)N1CCC(CN2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 71589622 ASMMIGBIDVQHHK-IBGZPJMESA-N 336.907 3.834 0 50 EHAA O=C1CC[C@]2(CCCO2)CCN1Cc1cccc(OC(F)(F)F)c1 72153626 HUUKXFDZZLOVLZ-MRXNPFEDSA-N 343.345 3.647 0 50 EHAA CSc1ccc(CN2CCC[C@@H](OCc3cccnc3)C2)cc1 72162691 UIQWCJLSCFPRKU-GOSISDBHSA-N 328.481 3.985 0 50 EHAA CCc1nnc(CN(C)Cc2nc(-c3ccccc3Cl)oc2C)o1 72409696 VMKNVVUMBQINBX-UHFFFAOYSA-N 346.818 3.881 0 50 EHAA CCc1cc(N[C@@H](C)c2ccc3c(c2)OCCCO3)n2nccc2n1 72411492 WKJVHIRWXPUJBA-ZDUSSCGKSA-N 338.411 3.626 0 50 EHAA Cc1cc(F)ccc1C(=O)N1CCC[C@H](C(=O)Cc2ccccc2)C1 77389005 UZXNBQUXILOXTN-KRWDZBQOSA-N 339.410 3.798 0 50 EHAA CC(=O)c1cc(CN2CC[C@H](Cc3cccc(CO)c3)C2)cs1 91724524 HCZUBFGFLYHGMI-MRXNPFEDSA-N 329.465 3.508 0 50 EHAA COc1ccc(-c2nnc(C)o2)cc1NC(=O)N1CCCCCCC1 95510355 JURNPUPJSWQJQY-UHFFFAOYSA-N 344.415 3.852 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H](C(=O)O)c1ccc(F)cc1 95520826 CJJSXJUHVLPDRI-HLJROMEYSA-N 345.414 3.674 0 50 EHAA Cc1ccc([C@@H]2CN(C(=O)c3ccc(F)c(C)c3)C[C@H]2N(C)C)cc1 95527820 FINRPRWPSFRJDH-AZUAARDMSA-N 340.442 3.612 0 50 EHAA COc1cccc(Oc2ncccc2CNC(=O)c2occc2C)c1 130066494 YWJQFHCPQUBMQG-UHFFFAOYSA-N 338.363 3.714 0 50 EHAA C[C@H](CO[C@H]1CCOC1)Nc1nc2cc(C(F)(F)F)ccc2s1 133816265 KWWQLCZBOUKHJR-KOLCDFICSA-N 346.374 3.921 0 50 EHAA CS[C@@H]1CCCCN(C(=O)Nc2cnn(-c3ccccc3)c2C)C1 157186540 QKEJAQDNEAMOAP-MRXNPFEDSA-N 344.484 3.930 0 50 EHAA Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1nnc(C2CC2)o1 181511287 JDDZASQVFGRVKO-UHFFFAOYSA-N 345.353 3.640 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(F)cc1F 183176616 MICIACXQABVSBR-HWPZZCPQSA-N 348.397 3.912 0 50 EHAA CCOc1ccc2c(c1)[C@@H](NCc1cnn(CC(C)C)c1)CCO2 187549059 JXPQPDGHJAXGRZ-SFHVURJKSA-N 329.444 3.551 0 50 EHAA O=C(NCc1ccc2ncccc2c1)N1CC[C@H](c2ccccc2)C1 194605713 RDXJFRVHUDIOCR-IBGZPJMESA-N 331.419 3.934 0 50 EHAA CCN(C(=O)Cc1cnn(C)c1)[C@H](C)c1cccc(C(F)(F)F)c1 194842148 RNQOFWRUFODXIE-GFCCVEGCSA-N 339.361 3.591 0 50 EHAA Clc1cccc(C2(CN[C@@H](c3cccnc3)c3ncc[nH]3)CC2)c1 195041663 CPINDEJUXACTFO-KRWDZBQOSA-N 338.842 3.869 0 50 EHAA C[C@@H]1CN(C(=O)CCC(C)(C)c2ccccc2)C[C@]2(CCCOC2)O1 225470988 HRAHSTBMFVVMMP-UTKZUKDTSA-N 345.483 3.541 0 50 EHAA COc1ccc(CN2CCCC[C@H]2c2nnc(C3CCC3)o2)cc1O 225503206 ONRKNRMPWVMLQE-HNNXBMFYSA-N 343.427 3.779 0 50 EHAA C[C@H](O)C[C@@H]1CCCCN1CCc1nc(-c2cccc(Cl)c2)no1 225728994 RILFARAQJKSPHG-BBRMVZONSA-N 349.862 3.558 0 50 EHAA COc1ccccc1C1=NN(C(=O)c2ccco2)[C@H](c2ccco2)C1 225782840 DMINBQJYULEJIQ-HNNXBMFYSA-N 336.347 3.873 0 50 EHAA CC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1c1ccc(OC)cc1 245393426 CTHYYUMGDOTWLX-HKUYNNGSSA-N 330.472 3.623 0 50 EHAA CC(=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 257358807 WOUWWZYKGYDVMI-CXYGEXQVSA-N 332.484 3.774 0 50 EHAA OC[C@]1(Cc2ccc(F)cc2)CCN(c2ccc3ccccc3n2)C1 289194183 WWDLERZABVZABK-NRFANRHFSA-N 336.410 3.805 0 50 EHAA Cc1cc(-c2ncccc2NC(=O)c2ncn(C(C)(C)C)n2)cs1 291944241 CCXSREYITUQPMS-UHFFFAOYSA-N 341.440 3.717 0 50 EHAA CCn1cc([C@@H]2N=C(O)CC[C@H]2N[C@@H]2CCC[C@H](C3CC3)C2)cn1 328635251 NETWSQKMOCQHBL-WFEDQXDTSA-N 330.476 3.621 0 50 EHAA O=C(c1coc(C2CCCCC2)n1)N(Cc1ccncc1)C1CC1 328679254 MWHATNWNBREQHF-UHFFFAOYSA-N 325.412 3.922 0 50 EHAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)C[C@H]1CCCC(C)(C)C1 329832641 GAHYWGXWJYCDGM-CABCVRRESA-N 333.476 3.859 0 50 EHAA CC(C)Oc1ncccc1NC(=O)N1CCc2c(F)ccc(F)c2C1 332579701 FJYOJVAGEKAELW-UHFFFAOYSA-N 347.365 3.737 0 50 EHAA C[C@]1(CNC(=O)c2csc(-c3ccccc3Cl)n2)CCCO1 446294618 BEMQDBKWEZGILZ-MRXNPFEDSA-N 336.844 3.762 0 50 EHAA COCC1(C)CCN(C(=O)CCc2ccc3ccccc3c2O)CC1 450394276 RYBMZAIGEFRYJW-UHFFFAOYSA-N 341.451 3.753 0 50 EHAA FC(F)(F)Cn1ccc(CSc2ncnc3ccsc23)n1 450758171 NUNNCMQULCDPAG-UHFFFAOYSA-N 330.360 3.742 0 50 EHAA Cn1cccc1CCNC(=O)N(Cc1ccncc1)C1CCCCC1 534585025 GHWNEECORFHTNQ-UHFFFAOYSA-N 340.471 3.507 0 50 EHAA O=C(NC[C@H](c1ccccc1)C1CCCC1)C1(Cn2ccnc2)CC1 534675368 SXRCPLKGFSFEJZ-LJQANCHMSA-N 337.467 3.754 0 50 EHAA COc1cccnc1CC(=O)N1CCCCC[C@H]1c1ccc(C)o1 684875533 ISCWSROAMJKTQU-INIZCTEOSA-N 328.412 3.678 0 50 EHAA COc1ccccc1CNC[C@H]1CCCc2ccc(C(=O)O)cc21 901882190 YMSMSIXFSNBPSQ-MRXNPFEDSA-N 325.408 3.603 0 50 EHAA Cc1nc([C@H](C)NC(=O)c2ccccc2C2CCC2)sc1C(=O)O 907626748 DQWIYUPEWPLRQX-NSHDSACASA-N 344.436 3.908 0 50 EHAA O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cc2ncccc2o1 936044944 XBHUKNDURIHGEA-LJQANCHMSA-N 348.402 3.652 0 50 EHAA c1ccc(CN2CCC(N3CCO[C@H](c4ccccc4)C3)CC2)cc1 952989169 CARITMOQLYPWDD-QFIPXVFZSA-N 336.479 3.725 0 50 EHAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cccc2c1NCCC2 1506398779 FRMQFPYWKYKNRG-UHFFFAOYSA-N 347.418 3.972 0 50 EHAA Cc1ccc(C(=O)Nc2nnc(SC(C)C)s2)n1C(F)F 1529133788 HWGCYRHSUJOKGR-UHFFFAOYSA-N 332.401 3.796 0 50 EHAA CC(C)CCCC(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1616080305 LOPBYDQSYIZINU-YLJYHZDGSA-N 340.467 3.735 0 50 EHAA Cc1ccc(Br)nc1-c1noc(-c2conc2C(C)C)n1 1776005825 KCIWAMONIPNNTN-UHFFFAOYSA-N 349.188 3.981 0 50 EHAA CC(C)Cc1nc([C@@]2(c3cccs3)CC2(C)C)n(CCCO)n1 1857671702 YCBRHYVGOUAQDB-SFHVURJKSA-N 333.501 3.637 0 50 EHAA CCCC[C@@H]1CN(Cc2nccc(OC)c2OC)C[C@H](C(C)C)O1 1857723111 TVEHIYNNFGCXGP-CRAIPNDOSA-N 336.476 3.514 0 50 EHAA C[C@H](c1ccccc1)n1cc(-c2ccc(NS(C)(=O)=O)cc2)cn1 1875326220 MRXLNRBPGJJJJY-CQSZACIVSA-N 341.436 3.531 0 50 EHAA Cc1cc(C)cc(C2=CCN(Cc3cc(S(C)(=O)=O)co3)CC2)c1 2325794724 OPVYHYFPYDPMSX-UHFFFAOYSA-N 345.464 3.589 0 50 EHAA CCCN1CCC[C@@]2(CCCN2Cc2ccc3[nH]ccc3c2)C1=O 2356134999 LTHOGAVZJLJVGR-HXUWFJFHSA-N 325.456 3.535 0 50 EHAA O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 262389 LKWVQGSCQRYJRE-UHFFFAOYSA-N 338.407 3.700 0 50 EHAA O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1C(F)(F)F 457188 DYYBWPPFHIJOAZ-BQYQJAHWSA-N 340.326 3.825 0 50 EHAA COc1ccc(CC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 859216 BLGRSAYFGAEEPC-UHFFFAOYSA-N 335.787 3.547 0 50 EHAA Fc1cccc(-c2nnc3sc(COc4ccccc4)nn23)c1 1018183 DKLRFNCDNZTAAU-UHFFFAOYSA-N 326.356 3.571 0 50 EHAA CCCCOc1cc(N)ccc1NS(=O)(=O)c1ccc(C)cc1 2812154 MJZAFGGCKSUBPO-UHFFFAOYSA-N 334.441 3.557 0 50 EHAA CC(C)C(NC(=O)c1ccc(I)cc1)C(C)C 2873863 RCSSOAXHSGORTD-UHFFFAOYSA-N 345.224 3.702 0 50 EHAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 4839831 FEFRJWVFJQKNDP-BONVTDFDSA-N 337.297 3.872 0 50 EHAA O=C(CSc1nccc(-c2ccc(F)cc2)n1)NC1CCCCC1 6926589 DPPXHEDMGOPCLH-UHFFFAOYSA-N 345.443 3.824 0 50 EHAA Cc1ccc(Cl)cc1-n1nnc(C(=O)Nc2ccccc2F)c1C 8021540 RGHBYGMNXKROJA-UHFFFAOYSA-N 344.777 3.929 0 50 EHAA Cc1nc(N2CCCC2)nc2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 9420146 QHBNETKHGVQGKP-AWEZNQCLSA-N 341.842 3.951 0 50 EHAA COc1cccc([C@@H](C)NC(=O)Cc2ccc(Br)cc2)c1 12383776 FQUDACFULVIVBS-GFCCVEGCSA-N 348.240 3.878 0 50 EHAA COc1ccc([C@@H](CC(=O)NCc2cccnc2)c2ccccc2)cc1 12434817 VYSDBVUDKVRFHJ-NRFANRHFSA-N 346.430 3.929 0 50 EHAA O=C(C[C@H](c1ccccc1)c1ccccc1Cl)N1CCOCC1 12439176 MJLCBWYOXMOCKR-QGZVFWFLSA-N 329.827 3.721 0 50 EHAA CC(=O)c1ccc(C(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)s1 12576925 BFKJCEDUYSREQQ-OAHLLOKOSA-N 348.512 3.868 0 50 EHAA CCOC(=O)c1ccc(NC(=S)Nc2cc(C)cc(C)n2)cc1 13496750 ZLVIDDHFZBYFPT-UHFFFAOYSA-N 329.425 3.684 0 50 EHAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cccnc1 15660015 ZIRKTNLAXJZIOC-UHFFFAOYSA-N 345.761 3.768 0 50 EHAA CCOc1cc(CN2CCN(C[C@@H]3CC=CCC3)CC2)ccc1OC 19789309 QLXLBFIIBKDILA-GOSISDBHSA-N 344.499 3.568 0 50 EHAA O=C(Nc1cccc(Cl)c1)N1CCN(Cc2ccc(F)cc2)CC1 20437494 QLUFKIDBSDFFTF-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA Fc1cc(Cl)ccc1-c1nn2c(-c3cccnc3)nnc2s1 36353197 BPFNSRJUIQUULO-UHFFFAOYSA-N 331.763 3.707 0 50 EHAA CSc1ccc(CN(CCO)C(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 55168507 KVDREMDXRNOIGB-RBUKOAKNSA-N 341.476 3.533 0 50 EHAA CC(=O)Nc1ccc(Cl)c(C(=O)N(C)Cc2sccc2C)c1 55271123 OVKRCVYGEFUUGU-UHFFFAOYSA-N 336.844 3.941 0 50 EHAA CCCCOc1c(CN[C@H](CC)c2nc(C)no2)cccc1OC 55403169 XGUSVCYWJWTUCS-OAHLLOKOSA-N 333.432 3.806 0 50 EHAA C[C@@H](Nc1nc(N)nc2ccc(C(=O)O)cc12)c1ccc(Cl)cc1 65410669 MXCSHFJIDLQSEG-SECBINFHSA-N 342.786 3.737 0 50 EHAA OC[C@@]1(Cc2ccc(F)cc2)CCCN(c2ccc(Cl)cn2)C1 67692737 VRWDRCPVIVIPRM-GOSISDBHSA-N 334.822 3.696 0 50 EHAA C[C@@H](c1nncn1C)n1ccnc1-c1ccccc1-c1ccccc1 72146705 KPGZXLLGPBRZFE-HNNXBMFYSA-N 329.407 3.955 0 50 EHAA CN1CCC(N(Cc2cccnc2)Cc2cccc3cnccc23)CC1 72152550 YYSSJTIFEONGFQ-UHFFFAOYSA-N 346.478 3.726 0 50 EHAA Cc1ccc(C)c2c(C)c(C(=O)N(C)Cc3ccc4nonc4c3)[nH]c12 91255544 OYFFUWJLXIYBFI-UHFFFAOYSA-N 348.406 3.902 0 50 EHAA C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccccn1 91439929 MNFHTCUTDGBFLE-INIZCTEOSA-N 334.419 3.751 0 50 EHAA c1ccc(COc2ccccc2Cc2nc(-c3cccnn3)no2)cc1 95530241 SDJLFJDTJQPXJX-UHFFFAOYSA-N 344.374 3.696 0 50 EHAA CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1cnc2ccccn12 97759417 SWMLGDPIHDCMKC-KRWDZBQOSA-N 325.412 3.801 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NCCC1=CCCCC1)[C@H]2C(=O)O 100866092 ZTUAJOYALITIFU-AHCXZYCDSA-N 331.456 3.686 0 50 EHAA CCCCCCC(=O)CC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2 102263185 FGWBQTCZZZYKTH-UHFFFAOYSA-N 333.472 3.570 0 50 EHAA O=C(C[C@@H]1OCCc2ccccc21)NCc1nc2ccccc2s1 115006761 XLLFDRHCEHBFPT-INIZCTEOSA-N 338.432 3.617 0 50 EHAA Cc1c(C(=O)N2CCCC[C@@H]2c2cccn2C)oc2c1C(=O)CCC2 173557459 IEJQVZRYKCEJGS-OAHLLOKOSA-N 340.423 3.813 0 50 EHAA CCC(CC)(CN[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 182753566 BMSRZMDPUJWSSI-INIZCTEOSA-N 343.920 3.565 0 50 EHAA Cn1ccc2ccc(NC(=O)Nc3ccccc3C[S@@](C)=O)cc21 190283819 IUTGETJOYYEXPD-XMMPIXPASA-N 341.436 3.701 0 50 EHAA COc1ccc(Oc2cccc(CN3C[C@H]4CCN(C)[C@H]4C3)c2)cc1 219757720 QZIQDTXJIRTDBH-UTKZUKDTSA-N 338.451 3.623 0 50 EHAA Fc1ccc(C2(CN[C@@H](Cn3cncn3)C3CC3)CCCCC2)cc1 225406584 FWQCXCGLISVGOD-IBGZPJMESA-N 342.462 3.688 0 50 EHAA O=C(Oc1ccccc1)N1CCCN([C@H]2C[C@H]2c2ccccc2)CC1 253432097 ZUTFTZCHIRQVDA-PMACEKPBSA-N 336.435 3.749 0 50 EHAA C[C@]1(C(=O)O)CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 269022393 IUWIMUHPHFNBRA-KRWDZBQOSA-N 333.771 3.537 0 50 EHAA Cc1ccncc1[C@H](C)NCC1CCN(Cc2nc(C)c(C)o2)CC1 271374078 HCEDMEKOWHFOBX-INIZCTEOSA-N 342.487 3.558 0 50 EHAA C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)C[C@H]1CCCC1(F)F 296096886 WXGBQQOAHDSVHR-DGCLKSJQSA-N 335.391 3.584 0 50 EHAA Cc1noc(C)c1Cc1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1 299749067 JBMRVDZXTQELPE-WMLDXEAASA-N 325.368 3.510 0 50 EHAA C[C@@H]1CCN(Cc2cnnn2C)c2cc(C(F)(F)F)ccc2S1 328593575 LCHIOHVMDVXFLS-SNVBAGLBSA-N 342.390 3.725 0 50 EHAA CC(C)c1noc([C@@H](N[C@H](C)CCc2ccco2)C2CCOCC2)n1 328622288 IKEZLZRVAKRJIB-PBHICJAKSA-N 347.459 3.865 0 50 EHAA CC1(CNC(=O)N2CCC[C@H]2C[C@@H]2CCCc3ccccc32)COC1 372783585 NLYHPPCWYVDCRN-ROUUACIJSA-N 342.483 3.707 0 50 EHAA CCO[C@@H]1CCN(C(=O)Cc2csc(-c3ccccc3)n2)C[C@H]1C 408519914 REHPHKCCIDWLBB-RHSMWYFYSA-N 344.480 3.626 0 50 EHAA CN(CCC1(O)CCCC1)C(=O)c1ccc(-c2ccc(O)cc2)cc1 426379579 BHDAJQXXBAPVGG-UHFFFAOYSA-N 339.435 3.826 0 50 EHAA CN(Cc1ccc(OC(F)F)cc1)C(=O)c1coc2c1C(=O)CCC2 448576339 ZMWJITWNSBYWHL-UHFFFAOYSA-N 349.333 3.672 0 50 EHAA CC(C)N(C(=O)c1ccccc1-c1cc(C(=O)O)n(C)c1)C(C)C 534670789 JLRPCKIFWFKTST-UHFFFAOYSA-N 328.412 3.649 0 50 EHAA COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cnc4ccccc4n3)C2)c1 654434416 DPSOUSPODABBAD-WKILWMFISA-N 347.418 3.657 0 50 EHAA CC(C)(C)c1coc(CNC(=O)NCc2ccc3occc3c2)n1 895695861 BCQNMMJYXTYNKB-UHFFFAOYSA-N 327.384 3.718 0 50 EHAA C[C@@H](CN1CCc2ccccc2C1)NCc1cccc(O)c1Cl 952982972 NHZMNGWEHWAMMG-AWEZNQCLSA-N 330.859 3.582 0 50 EHAA FC(F)(F)c1cccc(N2CCC[C@@H](OCc3ccccn3)C2)n1 1704304418 DUXKMLCNCSSDRQ-CQSZACIVSA-N 337.345 3.681 0 50 EHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H]2COCCO2)ccc1F 1857691949 HSTBJKZHSCMGGT-RDGPPVDQSA-N 333.447 3.650 0 50 EHAA Cc1ccccc1[C@H](C(=O)OCCc1cnc(O)nc1)C1CCCC1 1875277958 QEFSFUAHDBBZPS-GOSISDBHSA-N 340.423 3.550 0 50 EHAA COc1cccc(CN2CCC[C@@H](c3nc(C(=O)O)cs3)C2)c1C 2325787242 MCAFPNDUTLBVGO-CQSZACIVSA-N 346.452 3.538 0 50 EHAA O=C(CCc1ncc[nH]1)Nc1cc(Cl)cc(-c2ccncc2)c1 2325856407 OKVDBHVGBAGOME-UHFFFAOYSA-N 326.787 3.696 0 50 EHAA COc1ccc2nc(CN3C[C@H](C)NCc4ccccc43)sc2c1 2325860860 XMLCFEVZNISXOO-ZDUSSCGKSA-N 339.464 3.803 0 50 EHAA Cc1cc(C)n(C[C@H](O)COc2ccc3ccccc3c2Cl)n1 106573 VKGBFCYAWKEJJK-HNNXBMFYSA-N 330.815 3.746 0 50 EHAA CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccccc2)NC(=O)N1 126779 DCESZAMJZGJXJO-GOSISDBHSA-N 342.439 3.971 0 50 EHAA Cc1ccsc1CNn1cnnc1SCc1ccccc1F 386370 BHTAVZKOVCKAAO-UHFFFAOYSA-N 334.445 3.823 0 50 EHAA O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccccc1F 456379 BUFQQCQJYSAJFX-UHFFFAOYSA-N 343.427 3.553 0 50 EHAA CCn1c(SCC(=O)OC(C)C)nnc1-c1cccc(Cl)c1 1076956 SEKANYVUKBDSHL-UHFFFAOYSA-N 339.848 3.662 0 50 EHAA O=C1O[C@@](Cl)(C(Cl)(Cl)Br)C(Cl)=C1Cl 3075341 CPQSNKPSBAQYBF-SCSAIBSYSA-N 349.222 3.694 0 50 EHAA COc1ccccc1/C=C/CN1CCN(c2ccccc2F)CC1 4980793 PJLJLHIMQRDWES-SOFGYWHQSA-N 326.415 3.670 0 50 EHAA CC(=O)c1c(C)nc2nc(SCc3ccc(C)cc3)nn2c1C 6719482 ATUXSNAPTOBOKL-UHFFFAOYSA-N 326.425 3.544 0 50 EHAA O=C(O)c1cc(Br)ccc1OCc1ccc(F)cc1 7603896 NYIGHZWKHZIQCM-UHFFFAOYSA-N 325.133 3.865 0 50 EHAA O=C(Nc1ccccc1)c1nnn(-c2ccccc2)c1-c1ccco1 12274330 HFLOONMGZWGEPM-UHFFFAOYSA-N 330.347 3.780 0 50 EHAA Fc1ccc(N[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)cc1 12575577 NNVICDMGILPLAX-SFHVURJKSA-N 342.414 3.673 0 50 EHAA CC[C@H](C)Nc1cc(C)nc2cc(-c3ccc(OC)c(OC)c3)nn12 15670896 SPSXQULKKZELGN-LBPRGKRZSA-N 340.427 3.932 0 50 EHAA COc1ccccc1CN1CCN(Cc2ccccc2Cl)CC1 19372282 ULRFRUPVCZCLII-UHFFFAOYSA-N 330.859 3.666 0 50 EHAA CCOc1cc2c(cc1OCC)[C@H](c1c(F)cccc1F)NCC2 20506816 IKWUIQMKXXXZTJ-LJQANCHMSA-N 333.378 3.997 0 50 EHAA Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCOCC1 57351137 BFRWSACYFWFTCL-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA CCC(CC)n1ncc2c1NC(=O)C[C@H]2c1cccc2nsnc12 65405283 FKXLFOHMDLZJHR-LBPRGKRZSA-N 341.440 3.723 0 50 EHAA COc1ccc(CN2CCc3[nH]cnc3[C@H]2c2ccoc2)c(C)c1C 67856601 LDEBEXZETJJFBX-HXUWFJFHSA-N 337.423 3.776 0 50 EHAA COc1ccc(OC2CCN(Cc3ccnc(C(C)C)n3)CC2)cc1 72140537 WKBVKMVYKIRLAM-UHFFFAOYSA-N 341.455 3.652 0 50 EHAA CCOC(=O)c1c(C(C)C)n(CCc2ccccc2)c(C)cc1=O 72446949 NCKNYLFPPSDIRH-UHFFFAOYSA-N 327.424 3.700 0 50 EHAA COc1ccc(F)c(F)c1CN1CCC[C@H]1c1nc(C(C)C)no1 77503901 HXYMSBFAGJYPPW-ZDUSSCGKSA-N 337.370 3.817 0 50 EHAA Cc1noc(C)c1CCCNC(=O)c1ccc(N2CCCCC2)cc1 84808519 ACFTVSGEHZJGST-UHFFFAOYSA-N 341.455 3.644 0 50 EHAA O=C([C@@H]1CCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1 91575216 QZFGWBKAKVNIKF-FQEVSTJZSA-N 335.447 3.774 0 50 EHAA O=C(N1CCCC[C@H]1CCc1ccccc1)C1(Cn2cccn2)CC1 91663307 KAMASKHSACPZOD-IBGZPJMESA-N 337.467 3.677 0 50 EHAA COc1cccc2ccc(N3CCC([C@@H](C)N4CCCC4)CC3)nc12 95355734 GVEITCLHZYVNIM-MRXNPFEDSA-N 339.483 3.944 0 50 EHAA COc1ccc(N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cn1 120065805 WUINTYFNYRGGAY-NSHDSACASA-N 328.347 3.761 0 50 EHAA c1ccc(O[C@@H]2CCOC2)c(NCc2nc(-c3ccsc3)no2)c1 127374659 OJQLYSMZYUOILJ-CYBMUJFWSA-N 343.408 3.578 0 50 EHAA Cc1cccc(Cl)c1NC(=O)N1CCN(c2cccc(O)c2)CC1 132720431 NZWKRKKIJQWNAJ-UHFFFAOYSA-N 345.830 3.708 0 50 EHAA C[C@H]1C[C@@H](NC(=O)Nc2ccsc2)CCN1Cc1ccccc1 157155596 MNGQGRWQGKPIMI-HOCLYGCPSA-N 329.469 3.923 0 50 EHAA O=C(c1cnc[nH]1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 169974644 OONGWKXBMGUKBQ-UHFFFAOYSA-N 346.843 3.693 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)nn1-c1ccccc1 170591917 UEURNQDIAGBBQH-IBGZPJMESA-N 332.407 3.553 0 50 EHAA COc1ccc(NC(C)=O)cc1NC(=O)Nc1ccc(O)c(Cl)c1 170609673 FFQVGACWOXYDJU-UHFFFAOYSA-N 349.774 3.657 0 50 EHAA COc1cc2c(N[C@@H](C)c3ccc(Cl)cn3)ncnc2cc1F 170619619 HNVFXEGFILLCCJ-VIFPVBQESA-N 332.766 3.999 0 50 EHAA CC(=O)NC1(C(=O)Nc2ccc(-c3ccccc3)cn2)CCCCC1 170651458 DEEWRFLMYIMHTE-UHFFFAOYSA-N 337.423 3.526 0 50 EHAA CC(C)(C)c1nc2cc(NC(=O)Cc3c[nH]c4ncccc34)ccc2[nH]1 176340927 DCEVHBCFXUYMLF-UHFFFAOYSA-N 347.422 3.918 0 50 EHAA CC(C)c1cc(C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)nn1C 182555033 AUSIZYZAJKJNLC-CQSZACIVSA-N 347.846 3.841 0 50 EHAA CCc1c(C(=O)Nc2ccc3c(c2)CCO3)cnn1Cc1ccccc1 193137999 ZONULOYAYLYRML-UHFFFAOYSA-N 347.418 3.681 0 50 EHAA CC(C)CN(CC(F)(F)F)C(=O)c1ccoc1Br 193315741 QVAXSYWXZBWHFB-UHFFFAOYSA-N 328.128 3.703 0 50 EHAA Cc1ccc(CNC(=O)[C@@H]2CCCCN2Cc2ccccc2)s1 220750434 AXSIVYKMDMDSDI-SFHVURJKSA-N 328.481 3.727 0 50 EHAA CCC[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)CCN1C(=O)[C@H]1CC=CCC1 241586420 OVWIZQPGKKDXAJ-CEXWTWQISA-N 344.499 3.539 0 50 EHAA CN(CCC[C@H]1CCCO1)Cc1ccc2c3c(cccc13)C(=O)OC2 244858606 VOGAZANACSOPIM-KRWDZBQOSA-N 339.435 3.901 0 50 EHAA Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)cc1 248134987 CKCGHBZWSKSZCQ-FPOVZHCZSA-N 334.463 3.732 0 50 EHAA Cc1[nH]c2c(c1C(=O)NC1(c3ccccc3Cl)CC1)C(=O)CCC2 299794816 KYCUNMKWOWXOBM-UHFFFAOYSA-N 342.826 3.915 0 50 EHAA Cc1nn(C)c(C)c1NC(=O)N1CC[C@H](c2ccccc2)C1(C)C 332179789 NKNIIDWFWVIWSN-MRXNPFEDSA-N 326.444 3.837 0 50 EHAA Cc1ncsc1CCCNC(=O)N1CC[C@@H]1c1ccc(F)cc1 426588868 FGOAKGCQUNPQAB-OAHLLOKOSA-N 333.432 3.680 0 50 EHAA O[C@@H]1c2ccc(-c3ccc(F)c(F)c3)cc2OC[C@H]1N1CCCC1 426604694 ZEMJDKBIEJLCDS-IEBWSBKVSA-N 331.362 3.522 0 50 EHAA Cc1cc(=O)c(C(=O)N(CCc2ccccc2)C2CCCC2)c(C)[nH]1 426615353 CJRIDXHHTMYHDK-UHFFFAOYSA-N 338.451 3.619 0 50 EHAA CCN1CCC[C@@H](NC(=O)N2CCC(CCc3ccccc3)CC2)C1 518389561 SHEZKYYMMGSSOD-HXUWFJFHSA-N 343.515 3.525 0 50 EHAA CCNC(=O)c1ccc(NC(=O)c2sc(C(C)C)nc2C)c(C)c1 614943894 WFCPXKZOVYLHIF-UHFFFAOYSA-N 345.468 3.885 0 50 EHAA CN(C)[C@H]1C[C@@H](CNC(=O)Nc2ccccc2-c2cccs2)C1 653929747 GNTXYBBMDYODIK-OKILXGFUSA-N 329.469 3.877 0 50 EHAA Cc1n[nH]c(C)c1CNC(=O)C[C@@H](Cc1ccccc1)c1ccco1 670444392 QXTPZLNSYOJRNI-QGZVFWFLSA-N 337.423 3.652 0 50 EHAA Cc1cc(C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)n[nH]1 679167898 MTPIBOCVCKYVKL-UHFFFAOYSA-N 342.830 3.873 0 50 EHAA COCc1ccc(CN[C@@H]2CCCc3cn(C4CCCC4)nc32)o1 679582608 HVCRXQWXTPUCPE-GOSISDBHSA-N 329.444 3.905 0 50 EHAA C[C@]1(c2nc(CCC(F)(F)F)no2)CC(c2ccccc2)=NO1 874435205 MTAXBBOLTHGWOG-CQSZACIVSA-N 325.290 3.604 0 50 EHAA O=C(Cc1cccs1)Nc1ccc(-c2nc3ccncc3[nH]2)cc1 1289673263 OLTMPQIKAGTOEX-UHFFFAOYSA-N 334.404 3.868 0 50 EHAA CO[C@@H]1CCC[C@]12CCCN(C(=O)Cc1cn(C)c3ccccc13)C2 1704336066 FWIUUQYOQWVKOI-TZIWHRDSSA-N 340.467 3.529 0 50 EHAA CN1CC[C@@H](n2ccnc2-c2ccc(Oc3ccccc3)cc2)C1=O 1857680474 OEWNDJUFTSPCQP-GOSISDBHSA-N 333.391 3.746 0 50 EHAA COC(=O)CCCCN1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1857725562 CIZDZQQCMFCHMM-ZWKOTPCHSA-N 333.472 3.818 0 50 EHAA O=C(NC[C@H]1CCC[C@H](F)C1)N1C[C@@H]2[C@@H](C[C@H]2c2ccccc2)C1 1875268551 LYVGBGCDFASQIM-XFUTXVRSSA-N 330.447 3.960 0 50 EHAA COC1(C(F)(F)F)CC2(CN(C[C@H]3C[C@@H]3c3ccc(F)cc3)C2)C1 1875404437 IRTRHXQCBPRXGU-UKRRQHHQSA-N 343.364 3.973 0 50 EHAA COc1cncc(CCC(=O)OCc2nc3cc(C)ccc3s2)c1 2325774606 BZTWRBFGEARXJW-UHFFFAOYSA-N 342.420 3.684 0 50 EHAA C[C@@]1(CC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)CCCO1 2325779432 CIRGFIBVWOMKNS-QAPCUYQASA-N 347.846 3.839 0 50 EHAA COc1ccc(NC(=O)[C@H]2C[C@@H](OC(C)(C)C)C2)c2cnccc12 2325855452 BAMKBIWXXVLUIF-BETUJISGSA-N 328.412 3.776 0 50 EHAA CCn1c2ccccc2c2cc(CN3CCOC[C@H]3CF)ccc21 2325874406 LLVNCAZEOFBTLA-MRXNPFEDSA-N 326.415 3.985 0 50 EHAA C[C@@H](NC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CO)C2)c1cccc2ccccc12 2356152203 SWHFOGKUXMVRDS-AHCXZYCDSA-N 338.451 3.846 0 50 EHAA COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)nn(C)c1C 64659 FMSVOANOHUEPOW-UHFFFAOYSA-N 328.199 3.605 0 50 EHAA COc1ccc2[nH]cc(CCNC(=O)c3ccccc3Cl)c2c1 77337 RQDNGAFTCGPWID-UHFFFAOYSA-N 328.799 3.802 0 50 EHAA biogenic CC[C@H]1C(=O)C(C)(C)C(=O)O[C@H]1c1cccc(Br)c1 87346 WQODTAZBDZLKLW-NEPJUHHUSA-N 325.202 3.669 0 50 EHAA CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1OC)CCC2 432701 NOLZIHBLOKNDAN-UHFFFAOYSA-N 344.436 3.846 0 50 EHAA CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2ccccc2F)C1 2735053 NCLWIIMTAPDZEN-IBGZPJMESA-N 340.442 3.696 0 50 EHAA COc1ccccc1OCCNC(=O)c1ccc(C(C)(C)C)cc1 2870023 KMLWAHNRJMDIFK-UHFFFAOYSA-N 327.424 3.802 0 50 EHAA biogenic COc1cccc(OC)c1C(=O)Nc1ccc2nc(C)c(C)nc2c1 4520616 WIHGRLJFGOEJIY-UHFFFAOYSA-N 337.379 3.516 0 50 EHAA COc1ccc([C@H](C)NC(=O)c2ccc(F)cc2Cl)cc1OC 6726893 JXDXIORWNBSQQJ-JTQLQIEISA-N 337.778 3.987 0 50 EHAA CCOc1ccc(C(C)C)cc1S(=O)(=O)n1ccnc1C(C)C 7425055 FMRLGESATVTRFC-UHFFFAOYSA-N 336.457 3.766 0 50 EHAA CC(C)CN1CCC([C@@H]2CCN(C(=O)C3(C(F)(F)F)CC3)C2)CC1 11935054 GFELWEVJQHTDEC-OAHLLOKOSA-N 346.437 3.545 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 20279154 USOTZJVSWRKFGK-KRWDZBQOSA-N 342.826 3.892 0 50 EHAA Cc1ccccc1SCC(=O)N1CCc2[nH]nc(C3CCC3)c2C1 23214133 PPEYGNOTMCIPAP-UHFFFAOYSA-N 341.480 3.663 0 50 EHAA CC[C@H](C)CN1CCC(n2cc(-c3ccc(OC)cc3)nn2)CC1 55120595 WKNWBHRZXZKHCD-HNNXBMFYSA-N 328.460 3.637 0 50 EHAA COC[C@H](c1ccnn1C)n1cnc(-c2ccccc2)c1C=C(C)C 65370760 LRAPRJFUYPSGFV-LJQANCHMSA-N 336.439 3.943 0 50 EHAA NCCc1nc(N[C@H](c2ccccc2)c2ccco2)c2ccccc2n1 65396671 OLSHHAITLCLENM-HXUWFJFHSA-N 344.418 3.926 0 50 EHAA c1ccc(-c2ncn(CCCNc3cccnc3)c2[C@@H]2CCOC2)cc1 65534846 GZHGDYHDOVSDDI-GOSISDBHSA-N 348.450 3.951 0 50 EHAA O=S1(=O)C=C[C@H](n2ccnc2-c2ccc3c(c2)Cc2ccccc2-3)C1 72124040 VPGJAAZDBNBKMV-KRWDZBQOSA-N 348.427 3.605 0 50 EHAA COc1ccccc1/C=C/CN1CCC[C@@H](OCc2cccnc2)C1 72151377 JOZKRCGBVOSWBI-MVHVFESUSA-N 338.451 3.785 0 50 EHAA COc1ccnc(CN2CCCC[C@H]2CCc2ccc(O)cc2)c1 72161374 DBFKQXIPDXKHNP-SFHVURJKSA-N 326.440 3.783 0 50 EHAA O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](c2ncc[nH]2)C1 75553254 AQNDCASSDOSHLO-AWEZNQCLSA-N 338.436 3.553 0 50 EHAA CC1CCN(c2cccc(NC(=O)[C@H]3CCCc4[nH]ncc43)c2)CC1 135800010 PTOBOWXQNDTTSV-KRWDZBQOSA-N 338.455 3.705 0 50 EHAA CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc2c(s1)CCOC2 157110290 ONVAVSUARIKBMD-HNNXBMFYSA-N 330.453 3.829 0 50 EHAA CCOC(=O)c1cc2cc(C[C@@H](C)N)ccc2n1Cc1ccccc1 167331924 LPBUQDHKLGIXBJ-OAHLLOKOSA-N 336.435 3.756 0 50 EHAA CCc1cccc(C)c1NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 171575520 YASVDXCRLJQNQW-OAHLLOKOSA-N 342.443 3.735 0 50 EHAA C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)c1ccc(Cl)s1 175722870 WWZVWVGEJWXAKQ-SECBINFHSA-N 343.857 3.547 0 50 EHAA C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ncccc1-c1ccccc1 181441264 QZMXOGWEQUHKIZ-DOTOQJQBSA-N 340.423 3.661 0 50 EHAA C[C@H]1CCN(C(=O)Nc2cc(F)ccc2Br)CCS1 192279438 HPWVZABANRSGGD-VIFPVBQESA-N 347.253 3.948 0 50 EHAA CCc1nc(CNc2cccc(C[S@](=O)c3ccccc3)c2)no1 194733893 YGHRBAQYWHKEAA-DEOSSOPVSA-N 341.436 3.552 0 50 EHAA O=C(c1ccc(Cl)cc1)N1CCC(Nc2cccc(CO)c2)CC1 225601955 YVVLLEDYWDPXLJ-UHFFFAOYSA-N 344.842 3.549 0 50 EHAA CN(C(=O)CCn1cncn1)[C@H](c1ccc(Cl)cc1)C1CCCC1 225610052 STVKSDBDIRGVTJ-SFHVURJKSA-N 346.862 3.712 0 50 EHAA O=C(O)CC[C@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 238000672 FMRHZPNSVKHMPY-OAHLLOKOSA-N 337.847 3.766 0 50 EHAA COC(=O)c1cnoc1CN[C@H](C)c1ccc(Cl)cc1Cl 241316853 LVLUHIMBXZSOEI-MRVPVSSYSA-N 329.183 3.619 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)CCC(=O)Nc2ccc(F)c(F)c2)c1 244673703 HUBVUXSAEMBIGB-CQSZACIVSA-N 347.409 3.560 0 50 EHAA C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@H]1CCN2CCC[C@H]2C1 252511211 DZWFLHIDKSFIKW-UXPWSPDFSA-N 341.499 3.624 0 50 EHAA Cc1nc(C(=O)Nc2cccc(F)c2)nn1-c1cccc(Cl)c1 261490669 VJQCGEOCDSDIGF-UHFFFAOYSA-N 330.750 3.621 0 50 EHAA O=C(N[C@@H](CC(F)F)C(=O)O)c1ccc(C2CCCCC2)cc1 262982238 KVXSXIYDMRQOCN-AWEZNQCLSA-N 325.355 3.573 0 50 EHAA CN(Cc1cc(C2CC2)on1)C(=O)[C@@]1(c2cccs2)CC1(C)C 299800093 VTVMCPZBPFZRGU-SFHVURJKSA-N 330.453 3.940 0 50 EHAA COc1ccc(NC(=O)N(C)CC[C@H](C)O)cc1Cc1ccccc1 304881492 LWUJCAZUECKNSF-HNNXBMFYSA-N 342.439 3.521 0 50 EHAA CC[C@@H](CN(C)C)NC(=O)c1cccc(-c2cccc(C(C)=O)c2)c1 426503626 WGODFZHQXJYJOC-FQEVSTJZSA-N 338.451 3.626 0 50 EHAA CC[C@H](NC(=O)Cc1c(C)nn(CC(F)(F)F)c1C)C1CCCC1 456659915 MKMNGCWIMVCUKY-HNNXBMFYSA-N 345.409 3.690 0 50 EHAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2ccc3occc3c2)C1 888102885 SNMVZBXXLOWIIG-SJORKVTESA-N 325.412 3.735 0 50 EHAA Fc1ccccc1Oc1cc(CN[C@@H]2[C@H]3OC[C@H]4C[C@@H]2C[C@@H]43)ccn1 926314703 ZAGIVROIBZDRQQ-IHFNSMRLSA-N 340.398 3.526 0 50 EHAA Cc1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cccc1-c1nncn1C 952973760 VELJSPBRTSAELK-DLBZAZTESA-N 332.407 3.533 0 50 EHAA CN1C(=O)CCc2cc(NC(=O)c3c(F)ccc4ccncc34)ccc21 1435091316 QUYXEDGPOLCCLA-UHFFFAOYSA-N 349.365 3.535 0 50 EHAA CCCCc1ncc(CN2CCC3(CC2)OCCc2sccc23)[nH]1 1704339212 FPNZPMUQOHPIQK-UHFFFAOYSA-N 345.512 3.878 0 50 EHAA CCc1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1 1775986613 ATEAUOZTOFFMAP-LJQANCHMSA-N 347.422 3.547 0 50 EHAA O=C(N[C@@H]1C[C@H]2C[C@H]1CC2(F)F)c1ccnc(-c2ccccc2)c1 1875358243 OLKHREVJPJQANM-ZMSDIMECSA-N 328.362 3.912 0 50 EHAA CC(C)c1nc(O)ccc1C(=O)N1CCCC[C@H]1c1nccs1 1940197812 SUKZLCASCIAKTM-ZDUSSCGKSA-N 331.441 3.735 0 50 EHAA COc1ccc(OC)c(N2C(=O)c3cccc4cccc(c34)C2=O)c1 69271 LYIVPCGUFLFMCB-UHFFFAOYSA-N 333.343 3.658 0 50 EHAA Oc1ccc([C@@H]2N=C(c3ccccc3)N=C(c3ccccc3)N2)cc1 78694 IMZUDHOIMQSWBU-UHFFFAOYSA-N 327.387 3.888 0 50 EHAA Cc1ccc(C[C@@H]2CC(=O)N(c3ccc4ccccc4n3)C2=O)cc1 184519 BWDNVZOBJXLCIT-QGZVFWFLSA-N 330.387 3.665 0 50 EHAA Cc1cc(C)nc(SC[C@@H](O)COc2ccc(C(C)(C)C)cc2)n1 271659 DTGCMOOXUOOBLH-INIZCTEOSA-N 346.496 3.923 0 50 EHAA Cn1c(SCc2c(F)cccc2Cl)nnc1-c1cccnc1 529800 ONFJPTGWNZTPJK-UHFFFAOYSA-N 334.807 3.962 0 50 EHAA CCOc1ccc(NC(=S)Nc2cc(C(=O)OC)ccc2C)cc1 611082 MYGUOEFQZHSSPU-UHFFFAOYSA-N 344.436 3.989 0 50 EHAA CCCCOC(=O)c1ccc(NC(=O)c2c(Cl)cnn2CC)cc1 2763342 PZANDWSVPIIIMY-UHFFFAOYSA-N 349.818 3.766 0 50 EHAA CC(C)Oc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 4488932 VAPNCFWJSWPYHV-OAHLLOKOSA-N 339.391 3.719 0 50 EHAA O=C(NCc1ccc(NC(=O)c2cccs2)cc1)c1cccs1 4512255 BQHJELOCGNSCCZ-UHFFFAOYSA-N 342.445 3.992 0 50 EHAA CCc1ccc(OCCSc2nc3ccccc3c(=O)[nH]2)cc1 5044911 QLNMQDLFSXLCQL-UHFFFAOYSA-N 326.421 3.657 0 50 EHAA CCCOc1cc(S(=O)(=O)Nc2ccccc2O)ccc1Cl 8714699 UYRZEZKCPYSQOM-UHFFFAOYSA-N 341.816 3.635 0 50 EHAA COc1ccc(C(=O)CSc2nc3ccc(OC)cc3[nH]2)cc1 8759593 ISLWALKJSULJFP-UHFFFAOYSA-N 328.393 3.555 0 50 EHAA CN(Cc1ccc(-n2cccn2)cc1)Cc1nc(-c2ccccc2)no1 11818787 RPYANMZNQYGSCX-UHFFFAOYSA-N 345.406 3.554 0 50 EHAA Cc1noc2nc(-c3cccs3)cc(C(=O)NCc3ccco3)c12 13642177 RAOHAAYCKLLHMZ-UHFFFAOYSA-N 339.376 3.783 0 50 EHAA O=C(CCCc1cccs1)N1CCO[C@H](Cc2cccc(F)c2)C1 15062596 FVRNNEWIBSVDTL-QGZVFWFLSA-N 347.455 3.680 0 50 EHAA Cc1cnc(C)c(N2CCc3[nH]nc(/C=C/c4ccccc4)c3C2)n1 23541588 UAWBTHFTBZNJBD-CMDGGOBGSA-N 331.423 3.550 0 50 EHAA Cc1ccc(C)c(O[C@H](C)C(=O)N2CCc3[nH]nc(C(C)C)c3C2)c1 55153576 AIMUFGIQHARIRV-OAHLLOKOSA-N 341.455 3.502 0 50 EHAA CC[C@H](C)[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)C(=O)O 62742119 UOAPBVAOUIPKES-GZMMTYOYSA-N 327.306 3.560 0 50 EHAA C/C(=C\c1cc(Cl)ccc1O)CN1CCC[C@@H](N2CCCC2=O)C1 71681590 HCBHVGZEIOCNTF-IDKBZEPQSA-N 348.874 3.536 0 50 EHAA CN(Cc1csc(-c2cccs2)n1)C(=O)CCc1cccnc1 72474190 ONABXEKEKBUVTK-UHFFFAOYSA-N 343.477 3.858 0 50 EHAA CCCn1cc(C(=O)N2CCC[C@H](Cc3ccc(F)cc3)C2)c(C)n1 91616472 GDVPKOXMMGFJIZ-QGZVFWFLSA-N 343.446 3.836 0 50 EHAA CC[C@@H](c1nc(-c2cccnn2)no1)n1cc(C(C)=O)c2ccccc21 95497337 KOZJCHAJBYEDKS-INIZCTEOSA-N 347.378 3.683 0 50 EHAA COc1cc(C)cc(OC)c1-c1nc(N2CCCC2)nc(C)c1C 97076257 PNODLVLPDIFMGJ-UHFFFAOYSA-N 327.428 3.686 0 50 EHAA Cc1ccc2ncccc2c1CN1CCCN(Cc2cccnc2)CC1 97742825 UEJPQTLDCYIICV-UHFFFAOYSA-N 346.478 3.646 0 50 EHAA COc1ccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)cc1 100788795 IHAJKNUENNXWBV-AWEZNQCLSA-N 332.197 3.736 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1Cc1ccccc1 101597558 XOSPGPNKDYEJGU-RAUXBKROSA-N 333.431 3.864 0 50 EHAA Cc1csc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)n1 146337175 MCBYUYDHMZMBML-HUUCEWRRSA-N 331.441 3.741 0 50 EHAA COc1ccc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)nn1 158074165 FKZJPDTYSNIIFK-CQSZACIVSA-N 348.406 3.911 0 50 EHAA C[C@@H](NCc1ccc(Cl)nc1)c1ccc2c(c1)C(C)(C)C(=O)N2 165483650 JIMQNKDAIBPPMH-LLVKDONJSA-N 329.831 3.816 0 50 EHAA Cc1cn(CC(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)c2ccccc12 170630967 AAGQWFPQNZPWNS-UZLBHIALSA-N 342.483 3.907 0 50 EHAA Cc1c(Cl)c(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)nn1C 215083242 LWTHJDYWXCLECL-QMMMGPOBSA-N 345.752 3.892 0 50 EHAA Cc1ccc(CCC(=O)NC[C@H](c2ccnn2C)C(C)C)c(C)c1 240551446 GTTRITOWZMRWJE-SFHVURJKSA-N 327.472 3.526 0 50 EHAA Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2S(C)(=O)=O)cc1 252499932 SJJNZEUNMLOFLO-QGZVFWFLSA-N 348.855 3.759 0 50 EHAA O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)c2ccccc12 253429130 GPNIPPMDOANXIN-BFUOFWGJSA-N 345.439 3.763 0 50 EHAA C[C@H](NC(=O)c1cc2ccccc2c(O)n1)[C@@H]1C[C@H]1c1ccccc1 253532474 UVRFXRPSOJHGBM-KKXDTOCCSA-N 332.403 3.862 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257356309 HHUZGDMRRLQZIQ-KMZJBWRKSA-N 334.500 3.566 0 50 EHAA O=C(Nc1ccc(Nc2ncccn2)cc1)C1CCC(F)(F)CC1 277966308 NASLCDYKDORKGS-UHFFFAOYSA-N 332.354 3.984 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1coc(-c2ccc(F)cc2)n1 299743726 PCERSLSYZCOGLG-JQFCIGGWSA-N 344.386 3.698 0 50 EHAA COc1ccc(CNC(=O)C2CCN([C@@H]3CCC(C)(C)C3)CC2)cc1 347300413 DANPWJYCHUPJFD-GOSISDBHSA-N 344.499 3.602 0 50 EHAA Cc1ncccc1-c1noc([C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1 347581354 VKQFJPQGXJNENW-RDTXWAMCSA-N 334.423 3.676 0 50 EHAA OCC[C@@H](NCc1ccsc1)c1ccccc1Br 359000264 ZBBYFYXZDIOHGY-CQSZACIVSA-N 326.259 3.724 0 50 EHAA CC(C)c1nnc(CN2CCC(OCc3ccccc3F)CC2)s1 649406480 VTQMHMPJRDWIGJ-UHFFFAOYSA-N 349.475 3.982 0 50 EHAA O[C@H](C[C@H]1CCCN1Cc1n[nH]c2ccccc12)c1ccc(F)cc1 770327251 LVOYAXXMPRFQLC-OXQOHEQNSA-N 339.414 3.790 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)[C@H](OC)c2ccccc2)c(C)c1 952973647 OSJWXDCNQYZVCN-GOSISDBHSA-N 326.396 3.670 0 50 EHAA FC(F)(F)c1ccccc1[C@@H]1CN(c2nccc3nc[nH]c23)CCO1 1333737452 LGFPKERNCDECMS-AWEZNQCLSA-N 348.328 3.555 0 50 EHAA CCCn1ncc(C(=O)Nc2c(C)c(-c3ccccc3)nn2C)c1C 1506401022 HOMMQRQNKVCCEU-UHFFFAOYSA-N 337.427 3.563 0 50 EHAA CCC(CC)n1nccc1NC(=O)[C@@H](c1ccc(C)cc1)N(C)C 1529185342 LDDQXMHKWKCHGJ-GOSISDBHSA-N 328.460 3.794 0 50 EHAA CC(C)(C)C(=O)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704310174 QDUGJXIMTVTHKZ-QFIPXVFZSA-N 349.478 3.996 0 50 EHAA C[C@H](C(=O)Nc1ccccc1F)[S@](=O)CC=Cc1ccccc1 1857532155 LXMOIQUKGTWIBP-QKFKETGDSA-N 331.412 3.615 0 50 EHAA Cc1nc(N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c2[nH]ccc2n1 1857702764 CAAFTSMNTOYIDM-AWEZNQCLSA-N 346.438 3.602 0 50 EHAA Cc1nc(C(=O)OCc2cccc(-c3cccnc3)c2)c2ccnc-2[nH]1 1875335082 RRFCBLRJYXKYPM-UHFFFAOYSA-N 344.374 3.637 0 50 EHAA CC(C)(C)c1ccc(OC[C@H]2C[N@]2CC2CC2)c(-n2cccn2)c1 1875384057 CBLGUVMUJPEJTL-VGSWGCGISA-N 325.456 3.643 0 50 EHAA O=C(c1cccc2ncnn12)N1CCCCC[C@@H]1c1cccc(F)c1 2100483757 MGQSJJPKHBAZER-MRXNPFEDSA-N 338.386 3.626 0 50 EHAA Cc1ccoc1-c1nnc(N2CC[C@H](Cc3ccccc3)[C@H]2C)n1C 2325839894 IIQGTJFMRUSAGH-NVXWUHKLSA-N 336.439 3.841 0 50 EHAA COc1ccc(-c2cccc(CN3CCC[C@@H](OC)C3)n2)cc1F 2356167531 REQVSNKPHBKFGT-MRXNPFEDSA-N 330.403 3.507 0 50 EHAA Cc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1C 81133 BIJWKKGGOMXGSX-INIZCTEOSA-N 326.421 3.745 0 50 EHAA COc1ccc(NC(=O)c2ccccc2Br)cc1OC 299361 LWGOWJSOCHLLKC-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA Cc1cccc(N2CCN(C(=S)Nc3ccc(F)cc3)CC2)c1C 458736 JRPHKPRUBUIXAB-UHFFFAOYSA-N 343.471 3.962 0 50 EHAA Cc1cccc(C(=O)Nc2ncc3c(n2)C[C@@H](c2ccco2)CC3=O)c1 537107 VVQXQRPHRMMQRH-CQSZACIVSA-N 347.374 3.543 0 50 EHAA CCCOc1cccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)c1 2081094 WEOCXEWVHMNXIS-ATVHPVEESA-N 325.339 3.959 0 50 EHAA COc1cccc(OCc2cccc(C(=O)Nc3cc(C)on3)c2)c1 2785817 ZWYOIZMAQBYFFD-UHFFFAOYSA-N 338.363 3.823 0 50 EHAA COc1cc(OC)c(OC)cc1CN[C@H]1CCCc2ccccc21 4685496 RKUIWDOFEHKTTD-KRWDZBQOSA-N 327.424 3.880 0 50 EHAA O=C1CC[C@H](CCNCc2ccc(F)cc2)N1Cc1cccc(F)c1 12154242 RUYBRXWSCFZZAN-LJQANCHMSA-N 344.405 3.636 0 50 EHAA CC(=O)Nc1cccc(NC(=O)c2ccccc2OCC(C)C)c1 12406080 KVHHNONHYDHFFR-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA Fc1ccccc1COc1ccc(Cl)cc1CNc1ncn[nH]1 13943049 DEKITOVPUJYLQF-UHFFFAOYSA-N 332.766 3.788 0 50 EHAA O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(Cc1ccco1)CCO2 14990000 NCWWYZXPKWCEKA-OAQYLSRUSA-N 349.430 3.950 0 50 EHAA Cc1ccc(Oc2ncccc2CNCc2[nH]cnc2C)c(F)c1F 15063249 WZRXESGBRWTYCH-UHFFFAOYSA-N 344.365 3.782 0 50 EHAA COc1ccc(CN[C@H](C)c2cnc(-c3ccncc3)nc2C)cc1 20208655 FZJOQEKJGJHOHW-CQSZACIVSA-N 334.423 3.706 0 50 EHAA Fc1ccc(N2CCN([C@@H]3CCCN(C4CCCCC4)C3)CC2)cc1 22914565 BOFDCVVTLUVPAE-OAQYLSRUSA-N 345.506 3.745 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3cccnc3)[nH]n2)s1 29287407 TYYNOILJQSOVOJ-INIZCTEOSA-N 338.436 3.819 0 50 EHAA CCn1ccc2c(cnc3c(-c4ccc(Cl)cc4)c(C)nn32)c1=O 40397561 VAGVYDMTGFIQTR-UHFFFAOYSA-N 338.798 3.693 0 50 EHAA CCCCn1ncc(C)c1NC(=O)[C@H](C)n1cnc2ccccc21 55341313 JMLAHHSAQXWWOT-AWEZNQCLSA-N 325.416 3.541 0 50 EHAA COCCN1CCC[C@]2(CCN(Cc3ccc4ccccc4c3)C2)C1 67856766 QZBYYIIIWBGNDT-QFIPXVFZSA-N 338.495 3.774 0 50 EHAA Cc1cc(N2Cc3cnc(CC(C)C)nc3C2)nc(-c2ccccc2)n1 67886253 IAHCEMQXOUIOEZ-UHFFFAOYSA-N 345.450 3.961 0 50 EHAA OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccncc2)CC1 72142082 UCXYTYKEHJVXFH-UHFFFAOYSA-N 336.357 3.584 0 50 EHAA Cc1ccc(F)cc1NC(=O)N1CCCC[C@H]1CCn1ccnc1 72159454 BFVVDHZIDCYPFY-INIZCTEOSA-N 330.407 3.807 0 50 EHAA O=C(Cc1ccccc1)[C@@H]1CCCN(C(=O)CCc2ccsc2)C1 77553568 OUQIXQXYGLJFOA-GOSISDBHSA-N 341.476 3.731 0 50 EHAA Cc1ccsc1-c1nccn1C1CCN(c2cnccn2)CC1 82121392 HAOHYSLSXRECRI-UHFFFAOYSA-N 325.441 3.552 0 50 EHAA O=C([C@H]1CCCO1)N1CCCC(c2ccccc2)(c2ccccc2)C1 91830993 QZFGWBKAKVNIKF-HXUWFJFHSA-N 335.447 3.774 0 50 EHAA O=C(O)c1cccc([C@H]2CCCN(C(=O)c3cccn3C3CC3)C2)c1 95383407 OZBLCQNCHJHEJV-INIZCTEOSA-N 338.407 3.541 0 50 EHAA Cc1cccc([C@H]2CCCN(c3cc(C(=O)NC4CC4)ccn3)C2)c1 95508452 AMPHYAVWCJHIGB-SFHVURJKSA-N 335.451 3.666 0 50 EHAA CCCn1nc(C)c(NC(=O)N2CCC[C@H]2c2ccccn2)c1C 97179360 ZTYVTVFQUVQWEC-INIZCTEOSA-N 327.432 3.674 0 50 EHAA Cc1cc(Cl)ccc1N1C(=O)C[C@@H](Sc2ccccc2N)C1=O 100219900 ZFFCHDCZPGMHIA-OAHLLOKOSA-N 346.839 3.655 0 50 EHAA ClC1(Cl)[C@@H]2C[C@@H]3[C@@H](C[C@H]21)C3(Br)Br 101047527 IYBTUQYJFCIAQN-KVTDHHQDSA-N 334.866 3.932 0 50 EHAA Fc1ccccc1Cc1nc(-c2ccc(N3CCCCC3)nc2)no1 109566030 UISNFIPSWPXLBH-UHFFFAOYSA-N 338.386 3.852 0 50 EHAA CC(C)c1noc(NCc2cc(Br)cc3c2OCC3)n1 154809222 ZIZKEWAKRUGLHQ-UHFFFAOYSA-N 338.205 3.503 0 50 EHAA COc1ccccc1[C@H](C)NCc1ccc(Cn2ccccc2=O)cc1 161060123 OSISHSKTGPGCBS-KRWDZBQOSA-N 348.446 3.756 0 50 EHAA C[C@@H](NCc1ccc2c(c1)sc(=O)n2C)c1ccc(F)cc1F 170619054 GKZCAWQWTMWJDR-SNVBAGLBSA-N 334.391 3.729 0 50 EHAA COC(=O)[C@H](C)Sc1nccn1-c1ccc(C(F)(F)F)cc1 170624628 VUOKVMFXCNZHGO-VIFPVBQESA-N 330.331 3.545 0 50 EHAA Cc1noc(C2CC2)c1NS(=O)(=O)c1cccc(Cl)c1Cl 184910915 WAAJGECGONDSQP-UHFFFAOYSA-N 347.223 3.968 0 50 EHAA Cc1ccn2ncc(C(=O)N3CCCC4(CCCCC4)CC3)c2n1 188576117 RTVUOYDJLXTHJO-UHFFFAOYSA-N 326.444 3.614 0 50 EHAA Cn1cnnc1[C@H]1CCCN1C(=O)NC1CCC2(CCCCC2)CC1 190835338 MPPJAGQGCHNGAF-MRXNPFEDSA-N 345.491 3.555 0 50 EHAA CCOc1ccc([C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)cc1 221039696 USZJCPNSXWNJIA-CVEARBPZSA-N 349.427 3.653 0 50 EHAA O=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccccc1CC(F)(F)F 241139493 JRJQNISDKJAPCW-TXEJJXNPSA-N 326.318 3.519 0 50 EHAA Cc1cc(C)c(C(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)c(O)n1 252510447 ZLCOTJLSGSIAEH-UHFFFAOYSA-N 338.411 3.666 0 50 EHAA O=C(NC[C@@H]1CCCCC(F)(F)C1)c1noc2c1CCCCC2 329203080 YIZKZFHJJRCSBK-GFCCVEGCSA-N 326.387 3.889 0 50 EHAA Cc1ccc(C(=O)N(C)[C@H]2CCO[C@@H]2c2cccnc2)c(Cl)c1 346121501 GBKDFGZDOYRBCC-DLBZAZTESA-N 330.815 3.646 0 50 EHAA CCC1=C(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CCCO1 408514437 ACYQQAYPHJZKEF-QFBILLFUSA-N 347.430 3.979 0 50 EHAA CCC(CC)n1ncc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1C 408519899 NAKGOXIBMYVPKK-QXAKKESOSA-N 347.503 3.708 0 50 EHAA CC[C@@H]1CN(C(=O)c2cccc(-c3ccc(F)c(Cl)c3)c2)CCN1 426389637 LMIRVWXKTMQBJL-MRXNPFEDSA-N 346.833 3.970 0 50 EHAA CCC[C@@H](NC(=O)N(CCC)Cc1nccn1C)c1ccccc1 426549847 AGAWUIMMJNFKPG-QGZVFWFLSA-N 328.460 3.883 0 50 EHAA C[C@H]1CN(c2ccncc2)CCN1C(=O)c1ccc(F)c(C(F)F)c1 829792416 XUQJMQNXECUCMW-LBPRGKRZSA-N 349.356 3.509 0 50 EHAA Cc1cccc(C)c1OCCCOC(=O)c1ccc2cnccc2n1 840595851 JHDIJVWXIHHJFY-UHFFFAOYSA-N 336.391 3.873 0 50 EHAA COc1ccc(CNC(=N)NCC[C@H](C)c2ccccc2)cc1OC 849068385 BHGSIPGMOHSJNK-HNNXBMFYSA-N 341.455 3.512 0 50 EHAA Cc1nc(CNc2ccc3c(c2)nc(C)n3[C@@H](C)CO)sc1C 902592343 DOCDZJHKOOKAMT-JTQLQIEISA-N 330.457 3.583 0 50 EHAA Cc1nnc(N(C)C(=O)c2c(Cl)cccc2OCC2CC2)s1 906593472 WFGGFDOFVZDCKZ-UHFFFAOYSA-N 337.832 3.565 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)N1CCC12CCN(C)CC2 929226413 MXHXLDBVQYUMBQ-UHFFFAOYSA-N 345.487 3.695 0 50 EHAA Cn1ccc2cc(CN[C@@H]3CCCN(Cc4cccc(O)c4)C3)ccc21 952967470 BLLNTMPIVJAKAG-HXUWFJFHSA-N 349.478 3.638 0 50 EHAA Cc1ccc(C(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)n1C(F)F 952968248 IYBWQACXCZMXDL-NSHDSACASA-N 347.365 3.959 0 50 EHAA Cc1n[nH]c(C)c1CCCN(C)C1CCN(c2cccc(F)c2)CC1 952976650 XMJSFAHALFOOHO-UHFFFAOYSA-N 344.478 3.699 0 50 EHAA CN(Cc1cc(C(C)(C)C)n[nH]1)C[C@H]1CCN(c2ccccc2)C1 952980641 DYOQEFCCVQNSJM-MRXNPFEDSA-N 326.488 3.666 0 50 EHAA CO[C@@H](C)c1nnc(NC(=O)c2cc3cc(C)ccc3nc2C)s1 1506398984 JAQQIIVTYKTMCP-NSHDSACASA-N 342.424 3.663 0 50 EHAA Cc1ncncc1C(=O)Nc1cc(Cl)ccc1N1CCC[C@@H](C)C1 1506427384 JCNJGLOHIHJAFW-GFCCVEGCSA-N 344.846 3.927 0 50 EHAA Cc1cnn(C2CCCC2)c1NC(=O)c1cc(=O)c2ccccc2o1 1529169455 ZLMLXHISSZUXCD-UHFFFAOYSA-N 337.379 3.665 0 50 EHAA COc1cc(C(N)=O)c(Cl)cc1OCc1c(F)cccc1Cl 1857526067 GOBBUNXUVLONIZ-UHFFFAOYSA-N 344.169 3.819 0 50 EHAA CCCN1C[C@@H](n2ccnc2-c2ccc(-c3ccccn3)cc2)CC1=O 1857678599 OXDCNTWXCWIWEY-SFHVURJKSA-N 346.434 3.796 0 50 EHAA c1ccc([C@H]2CN3C[C@H](NC4CC5(CCCCC5)C4)C[C@H]3CO2)cc1 1857722994 SOAJEERGXPWIIB-HLAWJBBLSA-N 340.511 3.903 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2cccc(OC)c2C)C[C@H](C2CC2)O1 1857726728 DENPVKZRMGESJC-VQIMIIECSA-N 331.456 3.813 0 50 EHAA C[C@]1(C(=O)Nc2nnc(C3CCC3)s2)[C@H]2Cc3ccccc3[C@H]21 2325781910 CAUZUEOCHNBESA-IYOUNJFTSA-N 325.437 3.720 0 50 EHAA CC[C@@H](C(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1)n1ccnc1 2325855590 HERKDCAWFBCMOL-YJBOKZPZSA-N 343.471 3.715 0 50 EHAA C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 50880 PRBVKBGBGXBEGR-HIFRSBDPSA-N 342.826 3.570 0 50 EHAA CC(C)c1ccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 58918 IMMVBPRFCPEPJF-SXGWCWSVSA-N 335.359 3.883 0 50 EHAA CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Br)cc1 88675 IUWLIROZKXRONA-CQSZACIVSA-N 333.185 3.740 0 50 EHAA Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1C 121836 WCDAFZFFPCWMEP-UHFFFAOYSA-N 340.810 3.735 0 50 EHAA CC1(C)[C@@H](C(=O)Nc2nc3ccccc3s2)CC[C@]1(C)C(=O)O 191660 MUKSDTCHANCPAN-BMLIUANNSA-N 332.425 3.762 0 50 EHAA Cc1oc2ccc(O[C@@H](C(=O)O)c3ccccc3)cc2c1C(=O)O 308062 CNBJJORMHDLOTG-MRXNPFEDSA-N 326.304 3.644 0 50 EHAA biogenic CCc1cccc(C)c1NC(=O)C[C@@H]1Sc2ccccc2NC1=O 408318 YUICUTSNDOALGJ-INIZCTEOSA-N 340.448 3.999 0 50 EHAA O=S(=O)(NCc1ccco1)c1ccc(Oc2ccccc2)cc1 463667 OVGWDFGKQSAHIV-UHFFFAOYSA-N 329.377 3.550 0 50 EHAA COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1Cl 612672 TVFTVNAMCMXXKC-UHFFFAOYSA-N 329.849 3.517 0 50 EHAA COc1ccc(NC(=O)CCCOc2cccc(C)c2)c(OC)c1 1773719 SGIZREAZTYCKJP-UHFFFAOYSA-N 329.396 3.810 0 50 EHAA OCc1ccccc1OCCCN1CCC(Cc2ccccc2)CC1 2881333 LGLCVGFDURYVOD-UHFFFAOYSA-N 339.479 3.903 0 50 EHAA CCc1ccc([C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)s1 4519873 SDNXDHAPMBUPMM-CYBMUJFWSA-N 339.416 3.603 0 50 EHAA C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 4839827 FEFRJWVFJQKNDP-MEBBXXQBSA-N 337.297 3.872 0 50 EHAA CCC(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1 4977868 NNZOKPWXTLCHPG-UHFFFAOYSA-N 347.754 3.606 0 50 EHAA O=C(NCc1nc(-c2ccccc2)no1)c1ccc(Cl)c(Cl)c1 6702031 WCVRLHRTKPWWIE-UHFFFAOYSA-N 348.189 3.973 0 50 EHAA O=C(c1cscn1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 11950686 PORAYTPCUDCGLD-CYBMUJFWSA-N 336.407 3.906 0 50 EHAA CCCCN(C)Cc1cc2ccc(C)cc2n(Cc2ccccn2)c1=O 12244308 AZRKVWLAFRPZJZ-UHFFFAOYSA-N 349.478 3.985 0 50 EHAA CCOc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1 13131818 LZHAFSAWFPSVOP-MSOLQXFVSA-N 338.386 3.962 0 50 EHAA aggregator Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)c1ccoc1 15062005 BNJAQTPNOQNZFW-CYBMUJFWSA-N 342.443 3.638 0 50 EHAA COC(=O)c1ccc(C)c(NC(=S)Nc2ccc(F)cc2F)c1 17070689 PFOIGIQWHKMSAG-UHFFFAOYSA-N 336.363 3.869 0 50 EHAA COc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1 19781719 YOOAOEMLXLGJME-UHFFFAOYSA-N 330.859 3.666 0 50 EHAA CN(C)C(=O)CCc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 36565806 MNQBARVXTVZEMC-UHFFFAOYSA-N 344.842 3.542 0 50 EHAA Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2c(C)noc2C)cc1 64984261 NFGSJXRAESFNOY-QGZVFWFLSA-N 348.468 3.906 0 50 EHAA Fc1cc(Br)c(Cl)cc1I 65356412 GDIBVSLSICCPMY-UHFFFAOYSA-N 335.341 3.846 0 50 EHAA CCc1nc(C)c(C(=O)NCCc2cccc(C(F)(F)F)c2)o1 65395809 MQYLTLLEUGOONZ-UHFFFAOYSA-N 326.318 3.537 0 50 EHAA O=C(CCc1ccc(O)cc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 71767866 BFSJNDSWEVIRAT-SFHVURJKSA-N 345.826 3.578 0 50 EHAA CSCCCN1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F 72408301 RUBVOILMIDTAFW-MRXNPFEDSA-N 339.867 3.903 0 50 EHAA C[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ccc(O)cc1 72475376 RBFUFZUOWUMJLP-AWEZNQCLSA-N 327.424 3.587 0 50 EHAA CC(C)(C)OC(=O)N1C[C@H](c2cccc3ccccc23)[C@@H](C(=O)O)C1 74937985 XFLHWJLBGXTNJN-SJORKVTESA-N 341.407 3.875 0 50 EHAA CC(C)c1noc([C@H]2CCCN2Cc2cccc(-n3cccn3)c2)n1 77457799 FYFIQHPLSNFXFQ-QGZVFWFLSA-N 337.427 3.716 0 50 EHAA Cc1cccc(CSCCCNC(=O)c2cc(C(C)C)nn2C)c1 91587478 NWQCOBOULVIRAZ-UHFFFAOYSA-N 345.512 3.905 0 50 EHAA CCO[C@@H](C)c1ccc(-c2ccc(CN3CCN(C)CC3)cn2)cc1 97099461 HXHKPRVARAUILM-KRWDZBQOSA-N 339.483 3.594 0 50 EHAA NC[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 97334218 HBGRYZMJYHXFEO-OAHLLOKOSA-N 325.412 3.682 0 50 EHAA Cc1cccnc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 117183543 VLNAJXVGXQESKN-UHFFFAOYSA-N 330.815 3.727 0 50 EHAA CCCc1csc(NC(=O)c2ccccc2-c2nnc(C)o2)n1 127022011 IMOKSZLULWSDGQ-UHFFFAOYSA-N 328.397 3.706 0 50 EHAA Cc1oc2ncnc(NC(=O)Cn3cc(C)c4ccccc43)c2c1C 170630839 GQFBBGGXUDQEJJ-UHFFFAOYSA-N 334.379 3.741 0 50 EHAA c1ccc(COC2CCN(Cc3cccc4c3OCO4)CC2)cc1 179800119 MVYVBWBNKNIOFU-UHFFFAOYSA-N 325.408 3.597 0 50 EHAA CCc1noc([C@@H](C)N(C)CCOc2ccc(C(F)(F)F)cc2)n1 190369864 DZTJQCXQVOTRAZ-LLVKDONJSA-N 343.349 3.723 0 50 EHAA COC(=O)C[C@](C)(NCc1ccc(C)c(Cl)c1)c1ccncc1 194733816 QBUXGWCEVHTJHY-SFHVURJKSA-N 332.831 3.612 0 50 EHAA CC(=O)c1cc(CN2C[C@@H]3CC[C@H](C2)CN3CC2CCC2)cs1 216244343 NHKGAGNNGRVFCH-AEFFLSMTSA-N 332.513 3.647 0 50 EHAA CCc1ccc(NC(=O)c2ccccc2S[C@@H](C)C(N)=O)cc1F 225752998 CYFGFBQPYYELLS-NSHDSACASA-N 346.427 3.606 0 50 EHAA CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H]1CC12CCNCC2 237173815 YEBTXAXAYJMUGW-HXUWFJFHSA-N 334.463 3.702 0 50 EHAA Cc1nnc(N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)o1 241774196 RNVDXFSLRZWNCP-NSHDSACASA-N 340.358 3.943 0 50 EHAA CC(C)Oc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(F)c1 245305001 HLYDAZSPQKKPFE-APHBMKBZSA-N 336.407 3.548 0 50 EHAA Cc1ccc2[nH]c([C@@H]3CCCN(Cc4cccc(C(=O)O)c4)C3)nc2c1 263360115 RTLRVQBMSRZHQP-QGZVFWFLSA-N 349.434 3.949 0 50 EHAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1nnc(-c2ccco2)s1 267612188 RRDBINCLWYWBQZ-IJLUTSLNSA-N 332.429 3.983 0 50 EHAA Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc([C@H]2CCOC2)c1 270504565 DZTPIQOAFHXGBY-AZUAARDMSA-N 338.451 3.896 0 50 EHAA C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1cnccn1 328588439 PHMLHAYKZRCQSM-HRAATJIYSA-N 343.430 3.696 0 50 EHAA O=C(NCCc1ccc(F)cc1)N1CCCC[C@H]1c1cccnc1 426666923 BRRBRZQLKFQTQO-SFHVURJKSA-N 327.403 3.700 0 50 EHAA C[C@H](C(=O)N(C)Cc1cccc(C(F)(F)F)c1)N1CCCCCC1 510522230 HODZHBHHOXPIIC-CQSZACIVSA-N 342.405 3.928 0 50 EHAA Cc1nc(-c2ccccc2)[nH]c1C(=O)NCc1cc(CC(C)C)no1 670449729 YFVPIPXNYXXHPF-UHFFFAOYSA-N 338.411 3.502 0 50 EHAA CC(C)CCOc1ccc(NC(=O)N2CCOCC[C@@H]2C)cc1F 847253457 FJDVCHQGXSDLGO-AWEZNQCLSA-N 338.423 3.893 0 50 EHAA c1ccc(-c2nc(NCC3CCOCC3)c3ccsc3n2)nc1 858379120 WAJYMASFQTYEKJ-UHFFFAOYSA-N 326.425 3.592 0 50 EHAA Cc1cc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc(C)n1 952970878 WFDFTBBXJBJOAV-SFHVURJKSA-N 326.396 3.509 0 50 EHAA Cc1ncc(CN(CCN(C)C)Cc2ccc(CC(C)C)s2)[nH]1 1704326221 YHRSAYPPPMPXOB-UHFFFAOYSA-N 334.533 3.542 0 50 EHAA Cc1nn(C)c2ncc(C=Cc3ncc(Br)s3)cc12 1857531742 VYLYDPXJRXBCKE-UHFFFAOYSA-N 335.230 3.666 0 50 EHAA Cc1cc(N2CCN(c3ccc(F)cn3)[C@@H](C)C2)nc2ccccc12 1857680855 WWBPPBXBZSPDOQ-HNNXBMFYSA-N 336.414 3.792 0 50 EHAA Ic1cnn(CC23CC4CC(CC(C4)C2)C3)c1 1857777673 KVVAETMIQRIHRU-UHFFFAOYSA-N 342.224 3.704 0 50 EHAA CCCC[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H](C2CC2)O1 1875249439 SUMORJQDGUVFDP-YLJYHZDGSA-N 331.456 3.627 0 50 EHAA Cc1cc(Oc2ccccc2)nc(=NCc2nc3cnccc3s2)[nH]1 1875333788 LTHRPQWPYWKUQH-UHFFFAOYSA-N 349.419 3.616 0 50 EHAA Cc1nc(-c2cc(C(=O)OCCCc3ccncc3)co2)cs1 2325705549 AJOFPAZJOBDAML-UHFFFAOYSA-N 328.393 3.896 0 50 EHAA COc1ccc([C@H]2CC[C@@H](Sc3nc4ncccn4n3)C2)cc1F 2325778433 ZBBDDOMGPZACFH-WCQYABFASA-N 344.415 3.700 0 50 EHAA C[C@@]1(c2nc(Cc3cnc(C4CC4)o3)no2)CCOc2ccccc21 2325789701 GURIWDWCTKPSSM-LJQANCHMSA-N 337.379 3.614 0 50 EHAA Cc1cc(F)cc2[nH]c(C(=O)NCc3cc(-c4ccccc4)n[nH]3)cc12 2325869305 IDVHZWXKPBZPCX-UHFFFAOYSA-N 348.381 3.936 0 50 EHAA Cc1ccc(F)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 70101 WZHGQTLGRMXXLO-GFCCVEGCSA-N 346.789 3.779 0 50 EHAA COc1cc2c(cc1OC)CN(C(=O)c1ccccc1Cl)CC2 215991 VYIAAALBCSJXFM-UHFFFAOYSA-N 331.799 3.556 0 50 EHAA Cc1cc(Br)ccc1OCc1nc(-c2ccccn2)no1 235661 XUVBBVKKZAMDJO-UHFFFAOYSA-N 346.184 3.782 0 50 EHAA Cc1ccc(NC(=O)c2ccccc2I)cc1 260465 QCIOTGMBHQHDFB-UHFFFAOYSA-N 337.160 3.852 0 50 EHAA C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)O 268089 WUJPUDGNAYCPGB-MRVPVSSYSA-N 328.315 3.728 0 50 EHAA COc1ccc(/C=C/C(=O)Nc2nnc(C(C)(C)C)s2)cc1OC 464289 NRLXRUJIFJAYTN-VQHVLOKHSA-N 347.440 3.505 0 50 EHAA CC(=O)N1CCN(c2ccc(NCc3ccc(Cl)cc3)cc2)CC1 619804 XOFNMWRLWQVNJN-UHFFFAOYSA-N 343.858 3.621 0 50 EHAA CC(C)(C)NC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21 2859553 VFKHXYICIDVQOA-UHFFFAOYSA-N 340.448 3.849 0 50 EHAA O=S(=O)(NCCSCc1ccccc1)c1ccc(Cl)cc1 2968826 SLNUPDGWTCRALT-UHFFFAOYSA-N 341.885 3.552 0 50 EHAA CC(=O)c1nn(-c2ccc(F)cc2)nc1N[C@@H]1CCc2ccccc21 4858250 SQAGFRBNWOHXRA-QGZVFWFLSA-N 336.370 3.708 0 50 EHAA COc1ccccc1NCN1C(=O)c2cccc3cccc(c23)C1=O 4952035 IJRYAOBFKMARAW-UHFFFAOYSA-N 332.359 3.514 0 50 EHAA COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cn1 6706879 JFFNIPTVTGLZRU-UHFFFAOYSA-N 347.223 3.506 0 50 EHAA O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)C1CC1 11934180 IBZASWHWXRZPAP-UHFFFAOYSA-N 336.313 3.919 0 50 EHAA COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C)cc2C)cc1 13746724 YQCDJPJZJYAITC-CQSZACIVSA-N 326.396 3.973 0 50 EHAA COc1cc2c(I)c[nH]c2cc1C(F)(F)F 40566599 XATNKZPTOXCYNE-UHFFFAOYSA-N 341.070 3.800 0 50 EHAA CCN(Cc1nc2c(s1)CCCC2)Cc1c(C)nn(CC)c1C 55131988 YIUDHEMJTCKZMZ-UHFFFAOYSA-N 332.517 3.877 0 50 EHAA Cc1nn(C)c(C)c1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C(C)C 63882002 WHRAKESEDQDESW-ZWKOTPCHSA-N 325.456 3.578 0 50 EHAA CC(=O)NCCn1cnc(-c2ccccc2)c1-c1ccc(C)c(F)c1 65385939 JABXCBDHWLUISQ-UHFFFAOYSA-N 337.398 3.801 0 50 EHAA O=C(Nc1ccccc1F)c1ccc(-n2ccnc2-c2ccccn2)o1 65428083 ALAGSENDTUYDRD-UHFFFAOYSA-N 348.337 3.919 0 50 EHAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 67643393 NSHYCFMAPYHQCD-KRWDZBQOSA-N 333.439 3.868 0 50 EHAA Clc1cc(N[C@H]2CCCN(Cc3cccnc3)C2)nc2[nH]ccc12 72146089 FEEPRQHBJDIOPW-AWEZNQCLSA-N 341.846 3.688 0 50 EHAA COC(=O)c1cccc(C(=O)N2CCCC[C@H]2c2cccc(F)c2)c1 77299971 RGUZKECYNYPANS-SFHVURJKSA-N 341.382 3.980 0 50 EHAA CCc1ncc(C(=O)N2CCC(Sc3ccccc3C)CC2)cn1 77339725 DIZOCRNUUPIMFY-UHFFFAOYSA-N 341.480 3.744 0 50 EHAA Cc1n[nH]c(C)c1CCc1nc(C2CC2)nn1CCc1ccccc1 95516779 ZWDJTABXYMUYKF-UHFFFAOYSA-N 335.455 3.523 0 50 EHAA CC(C)n1cnnc1CN(C)Cc1ccc(C(F)(F)F)cc1F 97638020 GIVGSDLRPWYSRH-UHFFFAOYSA-N 330.329 3.649 0 50 EHAA C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2ccco2)cs1 117609843 HEVWVTDXMRCOFF-ZUZCIYMTSA-N 326.377 3.906 0 50 EHAA O=C(c1c[nH]c2ccccc2c1=O)N(Cc1ccco1)Cc1ccco1 125546345 HRNSUHHEKDHSGX-UHFFFAOYSA-N 348.358 3.557 0 50 EHAA c1cc(NCc2nc(C3CCCC3)no2)cc(OC[C@H]2CCCO2)c1 151630237 HBLMLALSHNMKKA-QGZVFWFLSA-N 343.427 3.897 0 50 EHAA Cc1nnc(-c2ccccc2C(=O)NC2CCC(OC(C)C)CC2)o1 159108077 QRAZJLHXVCLAEE-UHFFFAOYSA-N 343.427 3.511 0 50 EHAA C[C@H]1CC[C@H](C)N1C(=O)c1ccc(C(=O)N2[C@@H](C)CC[C@H]2C)s1 162015793 LEQOURZQKRJLNI-XDQVBPFNSA-N 334.485 3.774 0 50 EHAA CC(C)(C)c1cc(NC(=O)CNc2ccc3c(c2)C(=O)CCC3)on1 170653931 UJNAREOQXZWLHR-UHFFFAOYSA-N 341.411 3.542 0 50 EHAA Cc1ccc(C[C@@H](C)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1 186156237 JNVWSAOIYWRAIF-LLVKDONJSA-N 339.361 3.873 0 50 EHAA Cc1cc(N2CCCN(CC[C@@H](C)c3ccc(C)o3)CC2)ccn1 215041166 MDTLHDMDMZIYFT-MRXNPFEDSA-N 327.472 3.997 0 50 EHAA COc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1C(=O)O 215062168 GUFLRHBHOLQQGR-QGZVFWFLSA-N 329.371 3.870 0 50 EHAA COc1ccc(-c2cccc(C(=O)N3CCC[C@](C)(CO)C3)c2)cc1 223483611 JJOJXLFIZPKJRW-NRFANRHFSA-N 339.435 3.597 0 50 EHAA CSc1cccc(F)c1C(=O)Nc1cc(C(N)=O)ccc1Cl 225572731 NAAMVTGRIKIPKP-UHFFFAOYSA-N 338.791 3.552 0 50 EHAA O=C(CCc1c[nH]c2ccccc12)N[C@@H]1COC2(CCCCC2)C1 244690869 IYKSBAIRJPSDQJ-INIZCTEOSA-N 326.440 3.709 0 50 EHAA CC(C)c1nnc(CCC(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)o1 245415407 GFKOLGJKSUVJKM-BFYDXBDKSA-N 341.455 3.919 0 50 EHAA O=C(Nc1nc(C2CCC2)cs1)N1CCC(c2ncc[nH]2)CC1 283080090 ULSJCBKTVDRJFH-UHFFFAOYSA-N 331.445 3.545 0 50 EHAA CC(=O)c1cc(C(=O)N2CCOc3c(Cl)cccc32)c(C)nc1C 362818674 BBSLINZUOHBAGD-UHFFFAOYSA-N 344.798 3.594 0 50 EHAA CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@H]2CCO[C@H]2C(C)C)no1 365468370 VIGVKLSSSKNNPO-JYJNAYRXSA-N 349.475 3.698 0 50 EHAA CCC(CC)n1ncc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1C 408519900 NAKGOXIBMYVPKK-UHOSZYNNSA-N 347.503 3.708 0 50 EHAA CC[C@H](NC(=O)c1ccc(-c2ccnc(C)c2)cc1)c1cnn(C)c1 426412761 LGHDRZPEZLZWHO-IBGZPJMESA-N 334.423 3.672 0 50 EHAA C1=CC2(CCN(c3cc([C@@H]4CCOC4)ncn3)CC2)c2ccccc21 426428854 GHFJZTSIMYPOCL-QGZVFWFLSA-N 333.435 3.546 0 50 EHAA C[C@H](NC1CCN(c2ccccn2)CC1)c1ccc(C(F)F)nc1 657835771 HSBPWMHFOQTPSF-ZDUSSCGKSA-N 332.398 3.734 0 50 EHAA Cc1cc(C(=O)NCCn2cnc(C)c2C)sc1-c1ccccc1 828144050 JBGKBVPEGHOFRI-UHFFFAOYSA-N 339.464 3.967 0 50 EHAA O=C([C@@H]1C[C@H]1c1ccccc1)N1CCCN(Cc2ccsc2)CC1 1529180228 DZZDUZQGHAAQLZ-RBUKOAKNSA-N 340.492 3.586 0 50 EHAA CC(C)c1ccc(-c2noc(Cc3ccc(NC(N)=O)cc3)n2)cc1 1875260131 JSRBDWLRMNFFDP-UHFFFAOYSA-N 336.395 3.941 0 50 EHAA O=C(NC[C@H]1CCCSCC1)c1c[nH]nc1-c1ccc(Cl)cc1 1875348863 FILKSNUGJVHGBO-LBPRGKRZSA-N 349.887 3.993 0 50 EHAA O=C(NC[C@@H]1CC(C2CC2)=NO1)Nc1ccc(Cl)c2ncccc12 2325781393 MBIYCJPYSCXTPR-NSHDSACASA-N 344.802 3.565 0 50 EHAA C[C@@H](C(=O)N(C1CC1)[C@H](C)c1ccccc1)n1cc(C2CCC2)nn1 2325843631 LAWZOLGKPDDGQI-CABCVRRESA-N 338.455 3.859 0 50 EHAA CC1(C)OCc2c1n[nH]c2C(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C 2325865891 TZJVVHVODSSFPX-JSGCOSHPSA-N 330.428 3.714 0 50 EHAA CCN(Cc1ccc(C(=O)OCC[C@@H]2OCC[C@@H]2C)cc1)C1CC1 2325874254 FTCXRNOPVJAYMY-KXBFYZLASA-N 331.456 3.643 0 50 EHAA O=C(c1ccccc1Cl)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 196574 VFRCJZKXIMFQMA-IINYFYTJSA-N 346.736 3.593 0 50 EHAA CC(=O)Oc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 312853 YHIIQXZSSOULLX-UHFFFAOYSA-N 340.162 3.877 0 50 EHAA CC(=O)Nc1ccccc1NC(=O)c1ccc(Br)cc1 443616 YUSFRSZRZYZEEM-UHFFFAOYSA-N 333.185 3.660 0 50 EHAA COc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 452533 KONZUEQIEHSYBF-UHFFFAOYSA-N 334.828 3.784 0 50 EHAA CCCc1cc(=O)oc2c(C)c(OCC(=O)OC(C)(C)C)ccc12 454037 PUFORYZQLJPXTB-UHFFFAOYSA-N 332.396 3.774 0 50 EHAA O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCC[C@H]1C(=O)O 816575 VCETXPQBXFFOCP-VHSXEESVSA-N 336.438 3.701 0 50 EHAA aggregator Cc1[nH]c2ccc(Cl)cc2c1CCN1C(=O)OC(C)(C)[C@]1(C)O 1238615 UFUNZEXKYATNSR-KRWDZBQOSA-N 336.819 3.612 0 50 EHAA COc1ccc(C)cc1NC(=O)CC[C@@H]1COc2ccccc2O1 4851442 LNFZZLWUIWTHAQ-CQSZACIVSA-N 327.380 3.562 0 50 EHAA Cc1ccccc1[C@H](CC(=O)N(C)CCc1cn[nH]c1)c1ccccc1 11753733 JTJLQYKGKBHQKY-OAQYLSRUSA-N 347.462 3.941 0 50 EHAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C3CCOCC3)C2)c1 11873495 PNJFUMIHCZPRCG-QGZVFWFLSA-N 331.456 3.548 0 50 EHAA O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 11879220 RJMFMVYOLLSLIV-OAHLLOKOSA-N 334.341 3.821 0 50 EHAA Cc1ccsc1C(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 12076419 OPEIZTQATVDESH-IBGZPJMESA-N 329.465 3.514 0 50 EHAA Cc1oc(-c2cccc(F)c2)nc1CN(CCO)Cc1ccccc1 12224177 YQFJQOGLHULFHM-UHFFFAOYSA-N 340.398 3.784 0 50 EHAA O=C(Nc1nc2cc(Br)cnc2s1)c1ccccc1 34598623 POTYDBWSMIMCHL-UHFFFAOYSA-N 334.198 3.706 0 50 EHAA CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cc3nc[nH]c23)cc1 67771793 WUFSHDXYYVBQQU-UHFFFAOYSA-N 340.326 3.652 0 50 EHAA COC(=O)[C@H]1C[C@H]2[C@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)C1=O 71786926 LSHBHSFAOXGHPP-XNXCGYLDSA-N 342.435 3.520 0 50 EHAA Cc1cc(C)c(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c(=O)[nH]1 91536798 OUJYUPNOUVWBIO-UHFFFAOYSA-N 348.805 3.589 0 50 EHAA COCC[C@]1(CO)CCCN(Cc2cccc(OC3CCCC3)c2)C1 91713383 SOQZTDNVSVGKMY-OAQYLSRUSA-N 347.499 3.619 0 50 EHAA C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC(c2cccnc2)C1 91986664 BZCVGYJEUPKKTE-HNNXBMFYSA-N 332.403 3.628 0 50 EHAA CC(C)n1cc(NC(=O)N(Cc2ccccn2)C2CCCCC2)nn1 96166768 XILVRLIRIRZOQP-UHFFFAOYSA-N 342.447 3.621 0 50 EHAA O=C(c1cccnc1-c1ccc2c(c1)OC(F)(F)O2)N1CCCCC1 97515223 ACYXTEWAWUARNV-UHFFFAOYSA-N 346.333 3.696 0 50 EHAA COc1cccc(SCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 128832107 HTJLWLKSXIWOCN-LLVKDONJSA-N 333.375 3.588 0 50 EHAA COc1cc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)ccc1F 132715852 SOBIMBJQPYEQOF-MRXNPFEDSA-N 345.370 3.644 0 50 EHAA COc1ccccc1C(C)(C)NC(=O)c1ccncc1Br 152326851 RIRZWEPEZAWIEZ-UHFFFAOYSA-N 349.228 3.518 0 50 EHAA O=C(Nc1ccc(-c2cnco2)cc1)[C@H]1CCN(C2CCCCC2)C1 176053721 ICYHUAMNBTUXFL-INIZCTEOSA-N 339.439 3.935 0 50 EHAA CCCCc1oc2ccccc2c1CN1CCC(C(=O)NC)CC1 179822032 XCHNGKJJEOXNRY-UHFFFAOYSA-N 328.456 3.733 0 50 EHAA O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc2ccccc2o1 187669333 WGHCZLPTJFLACA-LRDDRELGSA-N 341.329 3.646 0 50 EHAA Cc1n[nH]c(C)c1CC(=O)N[C@H](C)c1ccc(-c2ccncc2)cc1 188204727 GJNLFNXKEBOEKX-CYBMUJFWSA-N 334.423 3.508 0 50 EHAA Oc1cccc(CN2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)c1 212797380 WSWWPYQOSZUHMT-YADHBBJMSA-N 333.431 3.896 0 50 EHAA C/C(=C\C(=O)N[C@H](C)Cn1ccnc1)C12CC3CC(CC(C3)C1)C2 222168590 TXDYKDUCEKGTEU-BGIXKYGVSA-N 327.472 3.551 0 50 EHAA C[C@H]1CN(C(=O)CCC(C)(C)c2ccccc2)C[C@@]2(CCCOC2)O1 225471086 HRAHSTBMFVVMMP-LAUBAEHRSA-N 345.483 3.541 0 50 EHAA O=C([C@H]1CC[C@@H](O)CC1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 244626716 FRFBCWFICCZYHA-JENIJYKNSA-N 333.447 3.548 0 50 EHAA CC(=O)c1ccc(S(C)(=O)=O)c(N[C@H]2CCc3ccc(F)cc32)c1 253427228 NGQNYCSZGMLHGY-INIZCTEOSA-N 347.411 3.531 0 50 EHAA CC[C@@H](NC(=O)NCCc1ccc2[nH]ccc2c1)c1c(C)noc1C 253433125 SKAOWWWPJWNYLQ-MRXNPFEDSA-N 340.427 3.766 0 50 EHAA Cc1nc(-c2cccs2)sc1C(=O)Nc1c2c(nn1C)CCC2 299221658 LUEGRBSWLLYJFU-UHFFFAOYSA-N 344.465 3.655 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 329279836 DJBRNKBQHDWKKP-YESZJQIVSA-N 333.476 3.531 0 50 EHAA O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc2c(n1)CCCC2 333068716 JVTQFBYRZDRQKU-MRXNPFEDSA-N 328.456 3.572 0 50 EHAA O=C(N[C@@H]1CCCOc2c(Cl)cccc21)[C@H]1CCc2cccnc21 333480690 PFOTXJDSOYBQAQ-GOEBONIOSA-N 342.826 3.795 0 50 EHAA Cc1cc(NC(=O)N2C[C@H]3CCC[C@H]3C2)nn1-c1ccc(F)cc1F 685104311 NHZPMTYTRVZCDV-BETUJISGSA-N 346.381 3.723 0 50 EHAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CC/C=C/c2ccccc2)C1 888102735 JPDVWRJFIRRLHN-ZWQQMPCFSA-N 325.456 3.892 0 50 EHAA c1ccc2c(c1)CN(c1nc3ccccc3[nH]1)CC1(CCOCC1)O2 895573876 DTUDCDQJICAFGY-UHFFFAOYSA-N 335.407 3.511 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(-c3ccccc3)ncn2)C1 952882114 UHDUQDFFOOGUDF-HNNXBMFYSA-N 340.427 3.565 0 50 EHAA CC(=O)N[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 952969688 QBCYOZFCFMCOFC-GFCCVEGCSA-N 346.814 3.986 0 50 EHAA CC(C)Oc1c(Cl)cc(CN2C[C@H]3C[C@H](O)C[C@H]3C2)cc1Cl 1800412017 UJNAHUHFAWOENF-WDNDVIMCSA-N 344.282 3.983 0 50 EHAA O=C(O)c1cnc(C=Cc2cccc(Oc3ccccc3)c2)nc1O 1857533237 LSOIZZOOSJCUHP-UHFFFAOYSA-N 334.331 3.843 0 50 EHAA CO[C@H]1C[C@@H](O)CN(Cc2csc(-c3ccc(C(C)C)cc3)n2)C1 1875353630 AHVLKBVNPUQYRY-MSOLQXFVSA-N 346.496 3.515 0 50 EHAA O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 50006 YBXCCGPAUWPKGO-NSHDSACASA-N 349.217 3.985 0 50 EHAA O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccco1 386373 SVURTZNGMAAWNP-UHFFFAOYSA-N 338.754 3.919 0 50 EHAA COc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1OC 432159 OIQYJGKHUUDQTI-UHFFFAOYSA-N 348.402 3.946 0 50 EHAA O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCCC1 466232 NOYLEPXYSYLSLG-UHFFFAOYSA-N 337.828 3.917 0 50 EHAA CCOC(=O)c1ccc(NC(=O)[C@H](CC)Sc2ccccn2)cc1 615478 RQJAJNBEWTTYHP-HNNXBMFYSA-N 344.436 3.768 0 50 EHAA CCCOC(=O)c1cccc(NC(=O)COc2cc(C)cc(C)c2)c1 1771310 WEYOPURVZQYSAK-UHFFFAOYSA-N 341.407 3.888 0 50 EHAA CCCn1cc([C@@H]2CC(=O)N(c3cccc(O)c3)C2=O)c2ccccc21 2130179 GVHATQAQUAWQNN-KRWDZBQOSA-N 348.402 3.804 0 50 EHAA biogenic COc1ccc(C2=C[C@@H](c3ccc(OC)cc3)N=C(S)N2)cc1 2491669 LIRYNIOWEDKWFX-INIZCTEOSA-N 326.421 3.675 0 50 EHAA CCn1cc2nc(SCc3ccccc3Cl)n(CC)c(=O)c2n1 2802638 MBNDUPYOWPUUHC-UHFFFAOYSA-N 348.859 3.579 0 50 EHAA Cc1cc(Br)ccc1OCCOCCNC(C)(C)C 3001246 FSHGVCWMJZGTIL-UHFFFAOYSA-N 330.266 3.541 0 50 EHAA COc1ccc(-c2cc(C(=O)N(C)c3ccccc3)no2)cc1OC 3908095 UVXOOQAPSAOACA-UHFFFAOYSA-N 338.363 3.635 0 50 EHAA CCc1ccc(O[C@H](C)C(=O)Nc2cc(OC)ccc2OC)cc1 6743839 CVSGIWYQZXYPLR-CYBMUJFWSA-N 329.396 3.672 0 50 EHAA Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 9230446 OTOYPPAZQLSMCD-HNNXBMFYSA-N 340.423 3.996 0 50 EHAA CC(C)(C)NC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 12196652 AEMLRRYWJNUGRT-INIZCTEOSA-N 325.408 3.852 0 50 EHAA COc1cccc(CN2CCC[C@@](CO)(Cc3ccccc3C)C2)c1 12597478 JNFVETBZQSKZGV-JOCHJYFZSA-N 339.479 3.821 0 50 EHAA O=C(NCc1ccncc1)c1cc(-c2ccncc2)nc2ccccc12 17168252 LQZFSVOLFZLFAR-UHFFFAOYSA-N 340.386 3.622 0 50 EHAA CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2Cl)c1C 39315661 ITXFMDLPXNTRBT-UHFFFAOYSA-N 338.816 3.721 0 50 EHAA CCC[C@@H](C)c1nnc(NC(=O)c2ccccc2CN(C)C)s1 55090408 BBQXGTQCANTBKI-GFCCVEGCSA-N 332.473 3.756 0 50 EHAA Cc1ccccc1[C@@H](Nc1ncnc2c1CCNC2)c1ccccc1 67675990 OUPJOHKULSBRNY-FQEVSTJZSA-N 330.435 3.632 0 50 EHAA C[C@@H](c1ccccn1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1 67820485 WJXJIVDGRPHKAM-INIZCTEOSA-N 343.434 3.984 0 50 EHAA O=C(c1cccc(F)c1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 71278577 VRJOVEYRDAKOPZ-LEWJYISDSA-N 349.405 3.970 0 50 EHAA CNC(=O)c1cccnc1-c1cccc(OCc2ccccc2OC)c1 97570766 NKTKUDQJHNFPII-UHFFFAOYSA-N 348.402 3.696 0 50 EHAA CSc1cc(C)ccc1CNC(=O)N1CCC(c2ccn[nH]2)CC1 129383219 QYKPGJAZGPUGOF-UHFFFAOYSA-N 344.484 3.529 0 50 EHAA N[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)C1 158570080 DDLSCKGFEBWKFR-HNNXBMFYSA-N 330.815 3.696 0 50 EHAA C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(NC(=O)C2CC2)CC1 170871379 JQNPENBAWFIKOB-LBPRGKRZSA-N 340.389 3.757 0 50 EHAA CN(C)c1cccc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)n1 181933615 XHTMUMPEXBQEHF-MRXNPFEDSA-N 339.443 3.692 0 50 EHAA O=C(Nc1ccncc1F)C1(c2ccccc2Br)CC1 189109100 RWEANJZZMNTLMA-UHFFFAOYSA-N 335.176 3.654 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cnn([C@H](C)C2CC2)c1 189654301 OIOFLMZYYOQGFR-CZUORRHYSA-N 342.447 3.563 0 50 EHAA COc1ccc(NC(=O)c2n[nH]nc2-c2cccc(Cl)c2)cc1F 206653112 WDCHPOMOGBVQAT-UHFFFAOYSA-N 346.749 3.525 0 50 EHAA CCn1ccc2c(CN3CCC(Cc4noc(C)n4)CC3)cccc21 215975587 YKPRASXBGWHPGE-UHFFFAOYSA-N 338.455 3.807 0 50 EHAA COc1ccccc1-c1cccc(C(=O)N2CCC[C@H](OC)C2)c1 219432293 NLYABAHHIOIZLI-KRWDZBQOSA-N 325.408 3.613 0 50 EHAA COc1cc(C)c(S(=O)(=O)Oc2cccc3cccnc23)cc1C 231415649 ZJQULOBPCJFSQO-UHFFFAOYSA-N 343.404 3.628 0 50 EHAA Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 239433362 XOMQACYEAINUNL-PEBLQZBPSA-N 343.393 3.712 0 50 EHAA O=C(Nc1ccccc1-c1ccncc1)N1CC[C@@H]([C@H]2CCOC2)C1 241126039 JJBNACDEBZSWAB-SJORKVTESA-N 337.423 3.639 0 50 EHAA Cc1cc(C)cc(CSCC(=O)N[C@@H](C)c2nc(C3CC3)no2)c1 244763925 OYALHFCZRMZMJY-ZDUSSCGKSA-N 345.468 3.674 0 50 EHAA CCOCCC1(c2nc(-c3ccccc3NC(C)=O)no2)CCCC1 253419187 KJSIJKGQQCZZCQ-UHFFFAOYSA-N 343.427 3.933 0 50 EHAA CCOC(=O)c1cc2cc(OC)c(OCc3ccccc3)cc2[nH]1 255189476 QBROBNLQNKMQLU-UHFFFAOYSA-N 325.364 3.932 0 50 EHAA Cc1c([C@@H](C)NC2CCC(C(=O)O)CC2)cnn1-c1ccc(F)cc1 262951430 AVDGTQADQCSJEY-XEBKBJJBSA-N 345.418 3.614 0 50 EHAA C[C@@H]1CCN(C(=O)Cc2ccc(C(=O)O)cc2)[C@@H](c2ccco2)C1 263334707 NCFVGDHRGNCBRK-CZUORRHYSA-N 327.380 3.520 0 50 EHAA Cc1ccc([C@@H]2CCCN2C(=O)Cc2c(C)nn(C(F)F)c2C)o1 265276227 NHNVXHLYKKBKFG-AWEZNQCLSA-N 337.370 3.703 0 50 EHAA C[C@H]1C[C@@H](C(=O)NC(C)(C)c2ccccc2Br)CCO1 272070605 LHDKYRDIYHPVON-RYUDHWBXSA-N 340.261 3.616 0 50 EHAA CC(C)c1noc([C@@H](Nc2nc3ccccc3o2)C2CCOCC2)n1 275340274 KSUONLIXHLVQOH-HNNXBMFYSA-N 342.399 3.914 0 50 EHAA CC(C)Oc1ccc([C@@H](C)NCc2nnc3n2CCCC3)cc1Cl 284288303 KEWCABIYIPHUOQ-CYBMUJFWSA-N 348.878 3.906 0 50 EHAA CC(C)Oc1ccc([C@H](C)NC(=O)c2cn(C)nc2C2CC2)cc1 290837649 YOBXSAGHSVOZJL-ZDUSSCGKSA-N 327.428 3.576 0 50 EHAA Cc1c(NC(=O)N(C)C[C@@H]2CCCCO2)cccc1-n1cccc1 299792018 DSYYRIKFXAONTI-INIZCTEOSA-N 327.428 3.819 0 50 EHAA Cc1nc2c(C(=O)N3C[C@H](c4ccsc4)O[C@H](C)C3)cccc2o1 328588576 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0 50 EHAA COc1cc(F)c([C@@H](NCc2cc(C)no2)C(F)(F)F)cc1OC 952878161 ZGPWWHKEXYNKQR-CQSZACIVSA-N 348.296 3.533 0 50 EHAA C[C@H](C(=O)N1CCC[C@@H](c2cccnc2)C1)c1ccc(F)cc1F 1350443274 IUXDNAPDANBGFL-DZGCQCFKSA-N 330.378 3.870 0 50 EHAA CCc1cnc(C)nc1NC1CCN(Cc2ccccc2F)CC1 1529119476 WTQNDOGXWQLQSN-UHFFFAOYSA-N 328.435 3.563 0 50 EHAA CC1(C(=O)N2CCC[C@]3(CCc4cnc(-c5ccccc5)nc43)C2)CC1 1704344487 OLCLNJYCWUQKBN-QFIPXVFZSA-N 347.462 3.750 0 50 EHAA O[C@@H]1CCC[C@@]12CCCN(C1CCN(c3ccccc3Cl)CC1)C2 1704344505 RIOUFTGBDDBXGA-UXHICEINSA-N 348.918 3.936 0 50 EHAA O=C(c1ccc2cc[nH]c2c1)N1CCN(CC=Cc2ccccc2)CC1 1857532286 DWJVMQSUGZJAQW-UHFFFAOYSA-N 345.446 3.639 0 50 EHAA OCCOc1ccc(-c2nccn2C[C@@H]2CC[C@H]3CCC[C@H]32)cc1 1857739406 RWIWOVBLMQOXFQ-HHXXYDBFSA-N 326.440 3.748 0 50 EHAA O=S(=O)(c1ccc(Cl)c(Cl)c1)n1cnc2ccccc21 1875302928 OEGNTFJISGQDKU-UHFFFAOYSA-N 327.192 3.580 0 50 EHAA CC[C@@H]1NCC[C@H]1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2325735408 NPYDJJJAKJYAEY-HIFRSBDPSA-N 349.887 3.714 0 50 EHAA 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COc1ccc(NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1 2707553 REVOZCGJKCUAST-QGZVFWFLSA-N 329.440 3.845 0 50 EHAA Cc1cccc(C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c1 2798630 JPDALKAZWNRAJK-UHFFFAOYSA-N 326.787 3.541 0 50 EHAA O=S(=O)(Nc1c(F)c(F)cc(F)c1F)c1ccc(Cl)cc1 2905301 GAKOIXGXZHAJPS-UHFFFAOYSA-N 339.697 3.697 0 50 EHAA CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5211505 RGHGKGRVFXQGOV-QCLOFMSXSA-N 348.527 3.956 0 50 EHAA CCCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2cc(Cl)ccc21 6702601 MLQURVJURCVRTD-KRWDZBQOSA-N 349.839 3.619 0 50 EHAA C[C@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)Cc2ccccc2O1 12246557 PLFGPHOUOQCFKJ-AWEZNQCLSA-N 337.398 3.999 0 50 EHAA CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccnc1 12381195 FINOZAZEIQPODV-UHFFFAOYSA-N 335.201 3.640 0 50 EHAA O=C([C@H]1CC(C(c2ccccc2)c2ccccc2)=NO1)N1CCCCC1 14881407 IGXAZKWJGQUCRZ-HXUWFJFHSA-N 348.446 3.976 0 50 EHAA C[C@H](NC(=O)[C@H]1CC(Cc2ccccc2)=NO1)c1ccccc1Cl 14994612 BEJODHWYWYMKAP-SCLBCKFNSA-N 342.826 3.905 0 50 EHAA COc1ccc(OC)c(-c2cc(C(F)(F)F)c3cnn(C)c3n2)c1 20605832 CYMKIEQTTUBQNL-UHFFFAOYSA-N 337.301 3.671 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 29704143 RRJVRJUWRCTCTO-AWEZNQCLSA-N 339.483 3.726 0 50 EHAA O=C(NCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1 41153950 KLUKWCLDTKXZGW-UHFFFAOYSA-N 328.759 3.712 0 50 EHAA CNc1cc(C(=O)N(Cc2ccc(SC)cc2)C2CC2)ccn1 55060576 DDQPPDOSLLQAEK-UHFFFAOYSA-N 327.453 3.650 0 50 EHAA CCn1ncc2c1NC(=O)C[C@@H]2c1ccc(-c2ccccc2F)o1 65432685 HNKXJZDOTVUQOM-LBPRGKRZSA-N 325.343 3.776 0 50 EHAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)N(Cc1ccsc1)C1CC1 67721142 VFJLCNVIBSHZOJ-NSHDSACASA-N 332.473 3.534 0 50 EHAA Cc1cc(C)n2nc(C(=O)N3CCC[C@H](c4ccccc4C)C3)cc2n1 77356121 UNFOQQJYPUHRKB-KRWDZBQOSA-N 348.450 3.674 0 50 EHAA COc1cc(-c2nccn2Cc2cnc(C)cc2C)c(Cl)cc1O 77375879 CSROLARJONCNBO-UHFFFAOYSA-N 343.814 3.978 0 50 EHAA CC(=O)c1ccc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)s1 77438705 BHXGUPQVQQDESE-UHFFFAOYSA-N 347.411 3.773 0 50 EHAA O=C(c1cc(C2CC2)n[nH]1)N1CCCC[C@@H]1CCc1cccs1 77516676 GCLJKWHLFIEUKV-CQSZACIVSA-N 329.469 3.976 0 50 EHAA Cc1ccc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)o1 92453481 KFKTUSGZTCQECF-UHFFFAOYSA-N 332.831 3.590 0 50 EHAA Cc1onc(-c2ccccc2Cl)c1-c1nc([C@H]2CCOC2)no1 96147980 FJNAOCCRGYKXQA-JTQLQIEISA-N 331.759 3.857 0 50 EHAA COC(=O)c1cccc(-c2noc(-c3ccc(F)c(F)c3F)n2)c1 162607035 ROUOTYWAMAEGNP-UHFFFAOYSA-N 334.253 3.608 0 50 EHAA CN(Cc1ccccc1N1CCCC1)C(=O)c1ccnc2ccncc12 170600155 BWLGVHJUPZWEEQ-UHFFFAOYSA-N 346.434 3.502 0 50 EHAA COc1cc(OC)cc(C2=NN(C(C)=O)[C@H](c3cccc(C)c3)C2)c1 170615301 XBAWZDOSKZVCKP-FQEVSTJZSA-N 338.407 3.710 0 50 EHAA Cc1ccc(C[C@@H](C)NC(=O)Nc2cccc3c2OCCO3)s1 172471233 YRWGRXXMKMZPIE-LLVKDONJSA-N 332.425 3.580 0 50 EHAA O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1coc2ccccc12 174993388 NMERWZZQMIUOIU-UHFFFAOYSA-N 337.379 3.893 0 50 EHAA Cc1cccc(C2=CCN(C(=O)N[C@H](C)c3cnn(C)c3C)CC2)c1 180298616 FMARUUDUISDHFR-OAHLLOKOSA-N 338.455 3.597 0 50 EHAA Cc1nn(CCO)c(C)c1CN1CCC[C@H](c2ccc(Cl)cc2)C1 216307487 WGFMPSWLZHGEAC-KRWDZBQOSA-N 347.890 3.525 0 50 EHAA COC1(CC(=O)NCc2ccc(OCc3ccccc3)cc2)CCC1 242273435 YCQDITIEVGHKHH-UHFFFAOYSA-N 339.435 3.841 0 50 EHAA CC/C(=C\C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12)c1ccc(OC)cc1 246106673 MLDAVUHMRBGILE-FBHZQTJHSA-N 329.440 3.562 0 50 EHAA CCc1cccc(CN2CCC(NC(=O)c3cc(C)oc3C)CC2)c1 252537768 MHDWRPKVOJFGPP-UHFFFAOYSA-N 340.467 3.853 0 50 EHAA c1ccc(OCc2ccc(-c3noc(CC[C@H]4CCNC4)n3)cc2)cc1 261746966 LLOFYJPBYZBSHL-INIZCTEOSA-N 349.434 3.858 0 50 EHAA COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2CCC(=O)O)c1 262300034 PXUYAGDDOLXIKR-AZUAARDMSA-N 325.408 3.701 0 50 EHAA O=C(Nc1ccccc1)c1cc2n(n1)C[C@H](c1ccc(F)cc1)OC2 263616041 GQPMAYXPHVURMX-GOSISDBHSA-N 337.354 3.546 0 50 EHAA CCc1ccc([C@H]2CCCN(C(=O)CCc3ccc(O)nc3)C2)cc1 286654375 GOPDVGIJLLQJPM-IBGZPJMESA-N 338.451 3.688 0 50 EHAA c1ccc(CN(Cc2coc3ccccc23)[C@H]2CCCNCC2)nc1 328639840 PRGXMRXNXBCXNS-IBGZPJMESA-N 335.451 3.972 0 50 EHAA Cc1cc(F)c2nc(O)cc(C(=O)N3CCC(C(F)F)CC3)c2c1 332267586 GXJQGCFXKPJSQD-UHFFFAOYSA-N 338.329 3.505 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 344791258 SSFVIBOJUVPYEQ-YVEFUNNKSA-N 329.419 3.503 0 50 EHAA CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@H]2CCO[C@@H]2C(C)C)no1 365468369 VIGVKLSSSKNNPO-HRCADAONSA-N 349.475 3.698 0 50 EHAA CC(C)c1nc(CCNC(=O)C2(c3cccnc3)CCCC2)cs1 365891486 SBZMEJYJZZVQMF-UHFFFAOYSA-N 343.496 3.832 0 50 EHAA Cc1cccnc1NC(=O)[C@@H]1CCCN(Cc2cccc3[nH]ccc23)C1 367221363 JAFODIBJOQVQSL-QGZVFWFLSA-N 348.450 3.722 0 50 EHAA O=C(c1cc(-c2ccncc2)on1)N(Cc1ccccc1)CC(F)F 408513013 QBOYFGMYIHAJGT-UHFFFAOYSA-N 343.333 3.644 0 50 EHAA O=C(c1nc(Cl)sc1Cl)N1CCOC2(CCCCC2)C1 408517468 INJKUCVVNNQUGK-UHFFFAOYSA-N 335.256 3.625 0 50 EHAA CCSCCNC(=O)N(C)[C@@H](C)c1cc(-c2ccccc2)n[nH]1 534577301 LTIZLXMLXURXAK-ZDUSSCGKSA-N 332.473 3.532 0 50 EHAA CCN(C)C(C)(C)CNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 534667298 AWBFOQPINRVYOF-UHFFFAOYSA-N 342.487 3.572 0 50 EHAA c1csc(CN2CCC(N[C@@H]3CCc4ccccc4C3)CC2)c1 829078395 YFMPMRJDUUEYQV-LJQANCHMSA-N 326.509 3.860 0 50 EHAA CCc1c(-c2nc([C@H]3CCCN3C(C)=O)no2)oc2ccccc12 867086399 CITZICCCIQQPCA-CQSZACIVSA-N 325.368 3.729 0 50 EHAA CO[C@]1(c2nnc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)CCOC1 886085226 BDMXRJFOTXVURS-CYBMUJFWSA-N 348.708 3.671 0 50 EHAA FC(F)(F)COc1cccc(CNc2ncnc3sccc23)n1 1321310372 MWMNSRZRKHZQHN-UHFFFAOYSA-N 340.330 3.640 0 50 EHAA COc1ccc(CN(C)[C@@H](C)Cn2nc(C)cc2C)c2cccnc12 1506398933 IAFGXLKLEMRUKJ-INIZCTEOSA-N 338.455 3.577 0 50 EHAA CN(C(=O)CCC(=O)Nc1cc2ccccc2cn1)C1CCCCC1 1940197844 WGIKCZNHDGHHRP-UHFFFAOYSA-N 339.439 3.745 0 50 EHAA Cn1cc([C@@H](N[C@@H]2CCCc3ncccc32)c2cccc(F)c2)cn1 2325773955 HWGLNHWHKYFRFE-UXHICEINSA-N 336.414 3.711 0 50 EHAA CCn1ncc2c1CC[C@H](NCc1csc(-c3ccccc3)n1)C2 2325788705 YFNOWZPEIHNINQ-INIZCTEOSA-N 338.480 3.674 0 50 EHAA Cc1ncn(-c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccncc3)cc2)c1C 2325799019 NZZIZOLTLQAVHF-MOPGFXCFSA-N 332.407 3.626 0 50 EHAA COc1ccc(-c2cnccc2-c2nccn2C[C@@H](C)OC)cc1F 2356153090 QROJCRLGMVJQLO-CYBMUJFWSA-N 341.386 3.795 0 50 EHAA CC1=CC2(CCN(C(=O)CCCOc3ccccc3)CC2)OCC1 2356158196 ZCIOMANHGFFWQU-UHFFFAOYSA-N 329.440 3.573 0 50 EHAA Cc1cccc(NC(=S)NC(=O)c2ccccc2Br)c1 342115 NXUXIEBEKGCCIR-UHFFFAOYSA-N 349.253 3.884 0 50 EHAA CC1CCN(C(=O)c2cccc(NC(=O)c3cccs3)c2)CC1 482218 ZNWRGNCVKJPOQC-UHFFFAOYSA-N 328.437 3.873 0 50 EHAA CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CS[C@@H]1c1ccc(Cl)cc1 1406901 MCVPXTHCXZFQMW-VXGBXAGGSA-N 343.832 3.776 0 50 EHAA CCN(CC)CCCNc1ncnc2sc3c(c12)CC[C@H](C)C3 1778458 XOKSNQDXZYSYLB-ZDUSSCGKSA-N 332.517 3.960 0 50 EHAA CCc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3C)C2=O)cc1 3953536 ZHMGKWLBZGIFKT-UHFFFAOYSA-N 340.810 3.993 0 50 EHAA CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 3982450 UQVIXFCYKBWZPJ-XXHSLLPRSA-N 330.468 3.647 0 50 EHAA biogenic,in-vitro COc1cc(-c2cccs2)cc2c1OCCN(C(=O)C1CCC1)C2 12166987 AXPORUASCKGJAD-UHFFFAOYSA-N 343.448 3.945 0 50 EHAA O=C(N[C@H]1CCCN(CCCc2ccccc2)C1)C1=CCCCC1 12479720 YOXDMGHZAOCJQA-FQEVSTJZSA-N 326.484 3.700 0 50 EHAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2c[nH]c(C)n2)C1 15066507 DDGAMMBSOZEZER-CQSZACIVSA-N 329.469 3.535 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CCC3)cc2)cc1 16605147 UZQLXSHWFQUAMP-UHFFFAOYSA-N 344.436 3.534 0 50 EHAA O=C(Nc1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1 20508095 YFPDOWJGRCAOKS-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA COc1ccc(C(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1OC 21719061 JKMYEOHCFQSTAE-HNNXBMFYSA-N 344.411 3.793 0 50 EHAA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(Cl)c2)N1 36055678 OBFZEESSNDQCJI-DLBZAZTESA-N 340.810 3.598 0 50 EHAA CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 45030645 SLCCWNVSRGRYJV-MRXNPFEDSA-N 343.383 3.529 0 50 EHAA O=C(Cn1ccc2cccc(F)c21)Nc1ccnn1Cc1ccccc1 48330216 JVLVJHHGMFNZPT-UHFFFAOYSA-N 348.381 3.664 0 50 EHAA Cc1cc(C)c(NC(=O)[C@H](C)n2ncc3ccccc3c2=O)c(C)c1 65364030 OIXBWHXPMCVEFF-HNNXBMFYSA-N 335.407 3.521 0 50 EHAA Cc1ccc(NC(=O)c2cc3c([nH]c2=O)CC[C@H](C)C3)cc1Cl 67630505 GNRBZRWZJYPHMF-JTQLQIEISA-N 330.815 3.714 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@H]2c2cccnc2)c1 72420287 KVYSMGHWGKYMOY-IBGZPJMESA-N 338.451 3.762 0 50 EHAA Cn1ccnc1[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2F)C1 82147405 ZRSUIMKFHNWNNI-CYBMUJFWSA-N 341.352 3.958 0 50 EHAA CCn1nc(C(C)C)cc1C(=O)NCc1cccc(N2CCCC2)c1 91475950 JIKWWPMLHUZKJK-UHFFFAOYSA-N 340.471 3.557 0 50 EHAA Cc1nccn1[C@H](C)Cc1nc(C2CCCC2)nn1CC(F)(F)F 96161313 HKINDSOYZMJYQL-LLVKDONJSA-N 341.381 3.807 0 50 EHAA C[C@H]1C[C@@H](C)CCN(C(=O)Nc2ccccc2SCCC(N)=O)C1 121337853 NHPFLZSZTXUSCL-KBPBESRZSA-N 349.500 3.554 0 50 EHAA Cc1cnc2c(c1)N(C(=O)[C@@H](C)CCc1ccccc1F)CCO2 125944955 JQDXHPMJJXUYAX-AWEZNQCLSA-N 328.387 3.523 0 50 EHAA O=C(Nc1cnn(-c2ccccc2)c1)c1cc(Cl)ncc1Cl 130017932 JSRAJKKXBSQYCB-UHFFFAOYSA-N 333.178 3.826 0 50 EHAA Cc1ccc(C)c2c(C)c(C(=O)N3CCCC[C@@H]3CC(=O)O)oc12 170071370 LCYOOHRKIRUXPD-CQSZACIVSA-N 329.396 3.827 0 50 EHAA O=C(Nc1ccccc1)c1nnc(CN2CCC[C@@H]2C2CCC2)s1 182433405 CTMFCJOVQQNTDL-OAHLLOKOSA-N 342.468 3.555 0 50 EHAA CC(C)C[C@]1(CO)CCCN1C(=O)NCC(C)(C)c1cccs1 190696051 UPAWLAQNHCADFI-SFHVURJKSA-N 338.517 3.608 0 50 EHAA Cc1ccc(-n2cccn2)cc1NC(=O)N[C@@H](C)c1cccc(O)c1 191250434 SHDMIQHBAULCIT-AWEZNQCLSA-N 336.395 3.769 0 50 EHAA COc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CCCc2cccnc21 193896773 DCFIFEBIDBGFSV-INIZCTEOSA-N 344.842 3.822 0 50 EHAA CC(C)(CC(=O)N1CCO[C@@H](C(F)F)C1)Cc1ccc(Cl)cc1 194193479 YRMNOIWBOBTDBX-CQSZACIVSA-N 345.817 3.791 0 50 EHAA O=C(NCCCOC1CCCC1)c1cc(Br)cs1 195376060 JVVRORNVSQGTHX-UHFFFAOYSA-N 332.263 3.590 0 50 EHAA O=S(=O)(c1cccc(F)c1)c1cnc2ccc(F)cc2c1Cl 232314150 PJVJJGDCLXBBDM-UHFFFAOYSA-N 339.750 3.999 0 50 EHAA CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 242106324 WISPGNNKZLVBNH-IXDOHACOSA-N 335.469 3.526 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)C2)c1 247041411 DSDHKACJHWCKHJ-SQNIBIBYSA-N 343.858 3.812 0 50 EHAA COc1cc(NC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)ccc1O 252500958 UAGANBUZBBPBDM-ZDUSSCGKSA-N 341.407 3.982 0 50 EHAA C[C@@H]1C[C@H](CCNC(=O)c2cc(F)ccc2Br)CCO1 273025650 AGPJQHSMYGOIFG-GHMZBOCLSA-N 344.224 3.523 0 50 EHAA CC(C)c1occc1C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O 331566158 GUSRQSHFESCIID-KRWDZBQOSA-N 340.423 3.671 0 50 EHAA O=C(O)c1ccc([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)o1 334163152 MRABAWUKIDMVPO-GOSISDBHSA-N 333.343 3.723 0 50 EHAA CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)Cn1cc(C2CC2)cn1 669360224 AWHCUIPAHCPYTJ-LJQANCHMSA-N 343.446 3.625 0 50 EHAA CC(=O)c1ccc(S(=O)(=O)Cc2ccccc2OC(C)C)cc1 864092235 NRLVJWFMQKKMDJ-UHFFFAOYSA-N 332.421 3.650 0 50 EHAA C[C@H](NC(=O)C(C)(C)c1cccnc1)c1cc(Cl)cc2c1OCC2 886694747 CKTUEHJWTMRJCZ-LBPRGKRZSA-N 344.842 3.825 0 50 EHAA O=C(O)C[C@H](CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1 888104080 AGIGWTIPFQCCNB-CQSZACIVSA-N 329.783 3.554 0 50 EHAA CCCOc1cccc(NC(=O)N2CCC[C@@H](c3ccn(C)n3)C2)c1 929546018 KGXRVLIPRONDFN-OAHLLOKOSA-N 342.443 3.620 0 50 EHAA Cc1cc(NC(=O)N[C@@H](C)Cc2cccnc2)nn1C1CCCCC1 931489697 RZAXTYQRLAIONU-AWEZNQCLSA-N 341.459 3.844 0 50 EHAA CCCCc1ccc(CN2CCC3(CC2)C[C@](C)(O)CCO3)cc1 1704312818 ZUOKHSFZUJAGGD-HXUWFJFHSA-N 331.500 3.925 0 50 EHAA Oc1cc(C2CCN(Cc3ccccc3OC(F)F)CC2)ccn1 1772814893 TTZDMZVZHMZNFI-UHFFFAOYSA-N 334.366 3.768 0 50 EHAA CSCc1nnc2sc(Cc3cccc(C(F)(F)F)c3)nn12 1775972030 AUFUSRRKYGJQMX-UHFFFAOYSA-N 344.387 3.658 0 50 EHAA c1cnc2ccc(-c3nccn3[C@@H]3CCOC4(CCOCC4)C3)cc2c1 1857686763 GOHNOBBKXRVQHI-GOSISDBHSA-N 349.434 3.999 0 50 EHAA COc1cc(CC(=O)Nc2ccc(Oc3ccncn3)cc2)ccc1C 1875338588 CYDQYHMHVGFIFT-UHFFFAOYSA-N 349.390 3.767 0 50 EHAA COc1cccc(CN2CCC(c3nc(C(=O)O)cs3)CC2)c1C 2325787254 NULVCKFWGXUJTQ-UHFFFAOYSA-N 346.452 3.538 0 50 EHAA C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 50879 PRBVKBGBGXBEGR-ZFWWWQNUSA-N 342.826 3.570 0 50 EHAA O=C(N[C@H]1CCCC[C@@H]1NC(=O)C1CCCCC1)C1CCCCC1 70425 WKPHCRCYCCBBPA-ROUUACIJSA-N 334.504 3.691 0 50 EHAA CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)cc1OC 122856 LPYJMGCDGWUASB-SFHVURJKSA-N 326.396 3.680 0 50 EHAA biogenic Cc1nc2ccccc2n1S(=O)(=O)c1cccc(Cl)c1Cl 195695 JSLIOEMZTVJFDP-UHFFFAOYSA-N 341.219 3.889 0 50 EHAA CCn1ncc(Br)c1C(=O)NC1CCCCCCC1 355831 ORCZUSJAUMEDKL-UHFFFAOYSA-N 328.254 3.508 0 50 EHAA O=C(COc1ccc(Cl)cc1)Nc1ccccc1N1CCCC1 465303 RLPXAENXKDRJAP-UHFFFAOYSA-N 330.815 3.958 0 50 EHAA CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C(C)C)c1 467337 QHFKMLONLHVENQ-UHFFFAOYSA-N 341.864 3.548 0 50 EHAA CCOC(=O)c1ccc(NC(=S)NCCCc2ccccc2)cc1 2966089 QMCFOSRZFQVMAZ-UHFFFAOYSA-N 342.464 3.783 0 50 EHAA O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCc1cccnc1 4858058 RSCWTXCDGPLBFY-UHFFFAOYSA-N 346.390 3.656 0 50 EHAA C[C@@H]1CCc2onc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2C1 6523231 WFISPWURSUPICZ-JSFDKUKPSA-N 328.456 3.746 0 50 EHAA Cc1cc(C)nc(Nc2nc(COc3ccc4ccccc4c3)n[nH]2)n1 9318012 GSARPZNTMPVEFD-UHFFFAOYSA-N 346.394 3.687 0 50 EHAA CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 11759318 RDDKLMMJIFLMRD-IBUXMESJSA-N 334.463 3.823 0 50 EHAA CCOC(=O)c1sc(N(C(=O)c2ccc(C)cc2)C2CC2)nc1C 13961152 LYAYZBUIYPAZGO-UHFFFAOYSA-N 344.436 3.746 0 50 EHAA O=C(Oc1ccccc1C(=O)OC1CCCCC1)c1cccnc1 22229246 KCTUTEJSVINVCF-UHFFFAOYSA-N 325.364 3.790 0 50 EHAA COc1ccc(NC(=O)N2CCC[C@H]2c2c(C)noc2C)cc1OC 33270532 GOPJJHJINJJSRF-AWEZNQCLSA-N 345.399 3.678 0 50 EHAA Cc1ccsc1CN1CCC[C@@H]1c1nc(-c2ccccn2)no1 65419705 LVOJFDRTLOVGRY-CQSZACIVSA-N 326.425 3.839 0 50 EHAA O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1cccnc1)CC(O)=N2 71280362 LOYYOJFVYDBIOP-AWEZNQCLSA-N 326.400 3.590 0 50 EHAA CC[C@@H]1CN(Cc2cnc(C3CCCCC3)nc2)CCN1C(C)C 72167653 LBXZYAGHIIKTAI-LJQANCHMSA-N 330.520 3.829 0 50 EHAA CSCCCN1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1F 72408300 RUBVOILMIDTAFW-INIZCTEOSA-N 339.867 3.903 0 50 EHAA Cc1cnccc1CNc1cc(-c2ccc(F)cc2)nc2ccnn12 72421509 CYQIVKQYVZCGAW-UHFFFAOYSA-N 333.370 3.851 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N[C@H](C)c1nncn1C1CCCC1 91626341 GMVLJTLLBZIOEE-GFCCVEGCSA-N 347.488 3.773 0 50 EHAA COCC[C@]1(O)CCN(Cc2cccc(OC3CCCC3)c2)C[C@H]1C 91951373 RYOYTRAHMHQRAQ-DYESRHJHSA-N 347.499 3.617 0 50 EHAA CC(C)c1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)n[nH]1 117186118 MZYSKJAUQIZYDS-UHFFFAOYSA-N 347.846 3.870 0 50 EHAA O=C(O)c1cnn(-c2nccc(-c3cc4ccccc4o3)n2)c1C1CC1 118283050 GEKRIUZXBJGSQJ-UHFFFAOYSA-N 346.346 3.651 0 50 EHAA CSc1c(F)cc(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1F 125265308 BZCORCWAHVABJB-YGRLFVJLSA-N 342.411 3.766 0 50 EHAA O=c1[nH]c(/C=C/c2csc(-c3ccsc3)n2)nc2cnccc12 151466823 UVHPQSYVKPDHLK-OWOJBTEDSA-N 338.417 3.674 0 50 EHAA COc1ccccc1-c1nc(CN(C)CC2CCOCC2)cs1 155894830 OMBTUFSVIYQOBW-UHFFFAOYSA-N 332.469 3.677 0 50 EHAA CC(C)(C)C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)C(F)(F)F 183002391 WRZCVPVMHUBESL-ZDUSSCGKSA-N 342.361 3.668 0 50 EHAA C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1)c1cccnc1 185062811 OLNGGBVAARWZIS-AWEZNQCLSA-N 349.434 3.513 0 50 EHAA CN(Cc1cnc(C2CCCCC2)nc1)C[C@@H](O)c1ccccc1 215492856 JBMUJBUFGYWXDR-LJQANCHMSA-N 325.456 3.690 0 50 EHAA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 219225845 IURANMQCBRXAQS-RHSMWYFYSA-N 349.814 3.524 0 50 EHAA COc1ccc(C)cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C 225389483 PZPWCQDNRRDEFT-KXBFYZLASA-N 341.455 3.817 0 50 EHAA C[C@H](NC(=O)N1CCC[C@H]1c1nc2ccccc2s1)[C@@H]1CCCO1 229186729 KUADFCUGGSODQP-QEJZJMRPSA-N 345.468 3.710 0 50 EHAA Cc1cccc(C[C@H](CNC(=O)c2ccc3ccccc3c2)C(=O)O)c1 237701890 AGVPKDKWMKCNTD-HXUWFJFHSA-N 347.414 3.822 0 50 EHAA Cc1ncc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)s1 252512449 QRLBGJFZDVIPCA-HUUCEWRRSA-N 343.279 3.848 0 50 EHAA O=C(CC1(n2cccc2)CCCCC1)Nc1cccc(-c2nc[nH]n2)c1 263588561 VTEQHQLMYQTBPY-UHFFFAOYSA-N 349.438 3.961 0 50 EHAA CC(C)c1ccccc1N(C)C(=O)[C@H](C)NC(=O)c1cccs1 328596313 FQYIWIYHPBMALH-ZDUSSCGKSA-N 330.453 3.653 0 50 EHAA c1ccc(Cc2noc([C@@]34CCC[C@@H]3CN(Cc3cc[nH]c3)C4)n2)cc1 328605238 MTFTZJNSIONJRF-WIYYLYMNSA-N 348.450 3.542 0 50 EHAA Cc1nc(Cl)ccc1C(=O)N1CC=C(c2cncc(F)c2)CC1 378533881 OJNHPXKUAXMEJE-UHFFFAOYSA-N 331.778 3.507 0 50 EHAA O=C(NC[C@H](O)CCc1ccccc1)c1c(Cl)cccc1Cl 390834334 WMYMYAWWMMGGGJ-CYBMUJFWSA-N 338.234 3.717 0 50 EHAA Cc1cc(C)n(-c2cccc(-c3ccc(C(=O)N4CCCC4)o3)c2)n1 426523318 BRKJOYDBAVYEGP-UHFFFAOYSA-N 335.407 3.985 0 50 EHAA CCn1cc(Cl)c(C(=O)NCC2(c3ccccc3F)CCCC2)n1 426633837 HFIWOQBAQPBSMC-UHFFFAOYSA-N 349.837 3.937 0 50 EHAA O=C(O)C1CCC(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 659759235 PXIAPQGOUPCUDP-UHFFFAOYSA-N 329.318 3.621 0 50 EHAA C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2cscc2C(F)F)cn1 901917967 YOLGOKALCMWYFH-QMMMGPOBSA-N 347.412 3.654 0 50 EHAA CC[C@@H]1CCc2nc(O)c(C(=O)N3CCc4ccccc4C3)cc2C1 929103262 GORWIAUZOBSPNH-CQSZACIVSA-N 336.435 3.501 0 50 EHAA OCc1cccc(CNCc2cc(CN3CCCCC3)cs2)c1 952982221 PFVZTVCJGGOXPF-UHFFFAOYSA-N 330.497 3.516 0 50 EHAA FC(F)(F)c1ccccc1[C@H]1CN(c2nccc3nc[nH]c23)CCO1 1333737453 LGFPKERNCDECMS-CQSZACIVSA-N 348.328 3.555 0 50 EHAA O[C@@H](c1cccs1)C1CCN(c2ncnc3ccccc23)CC1 1704306684 XSSGQJWJLNNYOB-QGZVFWFLSA-N 325.437 3.641 0 50 EHAA C=CNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 1772491516 HFIWUPBPNQKDNV-UHFFFAOYSA-N 325.364 3.657 0 50 EHAA Cc1cc(N2C[C@H]3C[C@@H](O)C[C@H]3C2)c2cc(C(F)(F)F)ccc2n1 1857681204 CCIYFJWUEIFBFW-DABQJJPHSA-N 336.357 3.769 0 50 EHAA O=C(O)c1cc(C2CCN(Cc3ccccc3C(F)F)CC2)no1 1875283027 BSUHPOIONMGYMD-UHFFFAOYSA-N 336.338 3.690 0 50 EHAA COc1cccc([C@H](CNC(=O)C[C@]23CCC[C@H]2C3)N2CCCC2)c1 1875308871 DRGINEVOVNSWGX-HFSMHLIXSA-N 342.483 3.529 0 50 EHAA CN(Cc1ccc2ccccc2c1)C(=O)c1coc(C2CCNCC2)n1 2325778347 USVXCILQSHFMJI-UHFFFAOYSA-N 349.434 3.567 0 50 EHAA Cc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 251121 ZJUJHQDNKVLJRS-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA C[C@H](NC(=O)CSc1nc2ccc(N)cc2s1)c1ccccc1 282258 VYHDYRNVUKQUKH-NSHDSACASA-N 343.477 3.848 0 50 EHAA O=S(=O)(Nc1cccnc1)c1ccc(Cl)c(Cl)c1Cl 367682 SPXRBVPGWYCXII-UHFFFAOYSA-N 337.615 3.843 0 50 EHAA C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 474746 QLWXGQUIQDCJNW-SECBINFHSA-N 348.855 3.878 0 50 EHAA COc1ccc(CCNC(=O)[C@H](C)Sc2ccccc2)cc1OC 619002 LCPKQTRHJZKYPS-AWEZNQCLSA-N 345.464 3.543 0 50 EHAA COc1ccc(OC)c(NC(=S)NCCCc2ccccc2)c1 2853232 VDDXMWAABAQCTH-UHFFFAOYSA-N 330.453 3.623 0 50 EHAA COc1ccccc1-c1cc(C(=O)Nc2ccc(C(C)=O)cc2)no1 3908061 RBISHNBHAJYNAP-UHFFFAOYSA-N 336.347 3.805 0 50 EHAA O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)[C@@H]1CCCOC1 110418279 OCVKKSNMBOBDPU-CYBMUJFWSA-N 340.354 3.999 0 50 EHAA CC(C)[C@H](C)CC(=O)N1CCC[C@@H](c2nnc(S)n2C(C)C)C1 111134156 HCMODTRYEPGIAX-ZIAGYGMSSA-N 338.521 3.536 0 50 EHAA CCCN(Cc1ccccc1OC)C(=O)[C@@H]1CC(=O)c2ccccc21 55414952 QQRXHMVZBOWNRT-GOSISDBHSA-N 337.419 3.804 0 50 EHAA Cc1nnc(S[C@@H](C(=O)Nc2nccs2)c2ccccc2)s1 9026543 IWVBVHWUNYZDFR-LLVKDONJSA-N 348.478 3.775 0 50 EHAA O=C(Nc1ccccc1OCC(F)(F)C(F)F)c1ccccc1O 22309242 CQMQMTNTSQFJDC-UHFFFAOYSA-N 343.276 3.924 0 50 EHAA CCCCOc1c(F)c(F)c(/C=C/CN2CCOCC2)c(F)c1F 20638333 BYTWXGQZERZZNW-SNAWJCMRSA-N 347.352 3.767 0 50 EHAA COc1ccc([C@H]2CCCN2C(=O)Nc2ccnc(C)c2)c(OC)c1 119960858 GNATVCOVONBIED-QGZVFWFLSA-N 341.411 3.776 0 50 EHAA Cc1cc(C)c(NC(=O)CN2CCN(C3CCCCC3)CC2)c(C)c1 141869944 PGCCBKRWECQFPX-UHFFFAOYSA-N 343.515 3.501 0 50 EHAA CCN(C(=O)[C@@H]1C[C@H]1C)[C@H](c1cccnc1)c1ccc2c(c1)CCO2 252512102 MKUPVZQSQNGUQT-DJKXOVBDSA-N 336.435 3.610 0 50 EHAA C[C@H](c1ccc(-c2ccc3sc(N)nc3c2)cc1)N1CCOCC1 65491878 HAIWZZQJZKZOHC-CYBMUJFWSA-N 339.464 3.939 0 50 EHAA Cc1noc(C)c1CN1CCC[C@H](C(=O)CCc2ccccc2)C1 72141911 MUYLAWZHTAJNHB-SFHVURJKSA-N 326.440 3.705 0 50 EHAA O=C(c1cc(Cl)nc(Cl)c1)N1CCc2cccc(F)c2C1 128047273 LWEADLMFPHLWHX-UHFFFAOYSA-N 325.170 3.726 0 50 EHAA CCOCc1nnc(N2CCC[C@@H]2c2ccc(OCC)cc2)n1CC 358618829 VWPLEECFNWOIBS-QGZVFWFLSA-N 344.459 3.575 0 50 EHAA O=C(C[C@H]1CCc2ccccc2C1)N=c1nc(-c2ccccc2)[nH]s1 480075670 VCVLZRABSKXZCS-AWEZNQCLSA-N 349.459 3.761 0 50 EHAA O=C(NCCN1CCC(c2ccccc2)CC1)[C@@H]1CCc2ccccc21 216330901 FMDDJDJVHKHNJW-JOCHJYFZSA-N 348.490 3.712 0 50 EHAA C[C@H](NCc1cc(N(C)C)nc2ccccc12)c1ccc2c(c1)OCO2 154493747 HEKPUIFJQAKCQD-AWEZNQCLSA-N 349.434 3.880 0 50 EHAA Cc1sc(Cl)nc1C(=O)NCCc1c[nH]c2ccc(F)cc12 218302535 KFSRJHDIFARSIN-UHFFFAOYSA-N 337.807 3.698 0 50 EHAA O=C(CCc1ccccc1C(=O)O)N[C@@H]1CCCc2cc(F)ccc21 262865224 VWPGONSOTFNTAU-GOSISDBHSA-N 341.382 3.650 0 50 EHAA Cc1cc(N[C@H](Cn2cccn2)c2ccccc2)n2nc(C)c(C)c2n1 72478892 KVBZPZCVJVAEKZ-GOSISDBHSA-N 346.438 3.704 0 50 EHAA O=C(O)Cc1ccc(OC[C@@H]2CCCN3CCCC[C@H]23)c(Cl)c1 72149152 DAKBIPXQZMXBMZ-GOEBONIOSA-N 337.847 3.610 0 50 EHAA Cc1ccc(C)c(OCCCN(C)C(=O)c2ccn(C(C)C)n2)c1 426414468 FHOMRUVXQSEMGC-UHFFFAOYSA-N 329.444 3.622 0 50 EHAA CC(C)n1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)n1 426535388 CWEYXZXEFGXWGL-RDJZCZTQSA-N 329.419 3.744 0 50 EHAA C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 179292086 QRFAIBOPJUZVPF-HSCUQBEKSA-N 332.875 3.686 0 50 EHAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1[nH]c3c(Cl)cccc3c1C)CC2 426420061 JUDNNKYJKUKZPZ-XVGQJIODSA-N 348.874 3.634 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3c(C)noc3C)[nH]n2)o1 91327115 FPJRWACRRKCWMA-HNNXBMFYSA-N 340.383 3.560 0 50 EHAA CCc1cc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)nc(C)n1 534582598 FHHGSXSPHQRRLI-UHFFFAOYSA-N 345.393 3.886 0 50 EHAA CCCc1noc(-c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)n1 263617685 PBOAUNDYQUWKKM-HNNXBMFYSA-N 344.802 3.811 0 50 EHAA CN=c1ccc(-c2cccc(C(=O)NCC[C@@H]3C[C@@H]4C=C[C@H]3C4)c2)c[nH]1 584894794 MOXBFWRYOJHOEE-BPQIPLTHSA-N 347.462 3.544 0 50 EHAA Cc1cc(NC[C@H]2CCC3(CC(C(=O)O)C3)O2)c2cccc(F)c2n1 1875272949 LCEBFYIVCZOODL-FWHMADFJSA-N 344.386 3.507 0 50 EHAA O=C(N1C[C@@H]2CC[C@]2(C(F)(F)F)C1)[C@@]1(c2ccccc2)CC1(F)F 1875395496 YZLADOPXZSFUIF-QEJZJMRPSA-N 345.311 3.764 0 50 EHAA COC(=O)c1coc(-c2nc(-c3ccc(OC)cc3OC)cs2)c1 1776002812 FGBRJLJKLASGOG-UHFFFAOYSA-N 345.376 3.874 0 50 EHAA O=C(O)[C@@]12CC[C@@H](c3ccccc3)C[C@@H]1CN(Cc1cscn1)C2 1565511665 RYEOYFWUIJVLGD-GPMSIDNRSA-N 342.464 3.614 0 50 EHAA C[C@H](N[C@H](C)[C@@H]1COc2ccccc21)c1ccc([S@@](C)=O)cc1 222113288 UAKSUFWQJPDQSL-DFCFNEJHSA-N 329.465 3.639 0 50 EHAA C[C@H]1CN(c2ccccc2NC(=O)Nc2ccc(O)cc2)C[C@H](C)O1 186564295 QEIWWDMULXXFOS-KBPBESRZSA-N 341.411 3.650 0 50 EHAA O=C(c1ccoc1Cl)N1CCC[C@H]1C[C@H](O)c1cccs1 192432862 QGXFSFMJSSQVKO-JQWIXIFHSA-N 325.817 3.723 0 50 EHAA Cc1ccc(C2(C(=O)N(C)[C@@H]3C[C@@H]4C[C@H](N(C)C)C[C@@H]4C3)CC2)cc1 1529189294 KRSPRKVCZVWNCY-TZRIAGMCSA-N 340.511 3.604 0 50 EHAA Cc1ccccc1[C@@H](CC(=O)NCCc1cnccn1)c1ccccc1 11840144 IQVCWZHRFLQPMT-NRFANRHFSA-N 345.446 3.666 0 50 EHAA C[C@@H](NC(=O)c1cc(CN(C)Cc2ccccc2)on1)c1ccccc1 12093864 ROJAUHWDIPNZTF-MRXNPFEDSA-N 349.434 3.798 0 50 EHAA O=C(N[C@H]1CCCCCC[C@@H]1O)C1(c2ccc(Cl)cc2)CCC1 1857686075 GVWAIVQAALJIKT-IRXDYDNUSA-N 335.875 3.962 0 50 EHAA O=c1c2cc(Br)ccc2ccn1Cc1cc(C2CC2)no1 664105724 YOYXJAMIGUUELS-UHFFFAOYSA-N 345.196 3.678 0 50 EHAA Cc1cccc2oc(CCNC(=O)Cc3cccc(C(F)F)c3)nc12 390833295 FTSSUNWAICCVOW-UHFFFAOYSA-N 344.361 3.975 0 50 EHAA CCC[C@]1(C(=O)O)CCN(Cc2c(C)ccc3ccccc23)C[C@@H]1O 1704340179 WUMZEWSLOFLGHI-FPOVZHCZSA-N 341.451 3.586 0 50 EHAA O=C(Nc1ccc(-c2ccon2)cc1)N1CCCC[C@H]1c1cn[nH]c1 933728186 ZQDLZUHOWTWMLL-KRWDZBQOSA-N 337.383 3.824 0 50 EHAA CCc1nc2sc3c(O)cc(=O)[nH]c3c2c(C(F)(F)F)c1C 6870856 KCXHOBSSMDJOOO-UHFFFAOYSA-N 328.315 3.733 0 50 EHAA N[C@H](CC(=O)Nc1cnc(-c2cccc(F)c2)nc1)C1CCCCC1 2325853456 QBGSSGFKLRIMPX-QGZVFWFLSA-N 342.418 3.519 0 50 EHAA CSc1nsc(SC)c1NC(=O)OCCc1ccccn1 51781 WJHLASSIPVZDID-UHFFFAOYSA-N 341.483 3.773 0 50 EHAA O=C(/C=C/c1ccccc1Cl)Nc1nnc(C(F)(F)F)s1 468876 BJUYGNSHCDJMAV-AATRIKPKSA-N 333.722 3.862 0 50 EHAA CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 585085 HVJHVHJLUAVRNM-UHFFFAOYSA-N 333.771 3.534 0 50 EHAA Cc1cccc(CSc2nnc(NC(=O)c3ccco3)s2)c1 1050436 FTHNEZSSEZLPJG-UHFFFAOYSA-N 331.422 3.984 0 50 EHAA aggregator CCCOC(=O)[C@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 1775317 JPPBXHUUAUYECG-LBPRGKRZSA-N 342.420 3.639 0 50 EHAA CCCOc1cccc(C(=O)NC(=S)Nc2cccc(OC)c2)c1 2053730 XDDJTQCBLCBCJA-UHFFFAOYSA-N 344.436 3.611 0 50 EHAA COc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 3379553 WAHQQZVGFHOYOT-UHFFFAOYSA-N 327.424 3.688 0 50 EHAA CCc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)s1 13331990 HTGOCOMGTMUOMH-UHFFFAOYSA-N 328.481 3.890 0 50 EHAA CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CC(C)C 14977057 YBXULXROXJVQHO-IBGZPJMESA-N 348.506 3.975 0 50 EHAA Clc1ccc2nc([C@@H]3CCCN3Cc3nc(C4CC4)no3)[nH]c2c1 15073989 FQSIPMRGLNHZNQ-AWEZNQCLSA-N 343.818 3.814 0 50 EHAA O=C(NCc1cnc2ccccc2c1)c1ccc([C@@H]2CCCN2)s1 19145936 HNYLAYOVTGZIKL-INIZCTEOSA-N 337.448 3.651 0 50 EHAA Cc1ccccc1NC(=O)c1cn(C)nc1C(=O)Nc1ccccc1C 20617201 ZKPDGSATRFHMNG-UHFFFAOYSA-N 348.406 3.542 0 50 EHAA OCC1CCN([C@@H]2CCCN(Cc3cccc4ccccc34)C2)CC1 22851166 PZXDUGYEFRUJOQ-OAQYLSRUSA-N 338.495 3.509 0 50 EHAA CC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 32099057 RUDHGDWNJABZLC-CYBMUJFWSA-N 339.391 3.778 0 50 EHAA CCSc1ccc(-c2nc(N)nc(NCc3ccccc3)n2)cc1 32520314 MRTNCLQZMCNZDM-UHFFFAOYSA-N 337.452 3.845 0 50 EHAA O=C(O)c1cccc(-c2nc3cccnc3n2Cc2ccccc2)c1 33559092 VFBFNRJCKZPJKA-UHFFFAOYSA-N 329.359 3.845 0 50 EHAA CO[C@@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2N(C)C1=O 34723194 NUPVEWMVMAZQIC-INIZCTEOSA-N 349.217 3.780 0 50 EHAA COc1cc(-c2ccc([C@@H](C)NC(C)=O)cc2)cc(OC)c1OC 67868406 FZYHVOMDEOPNMA-GFCCVEGCSA-N 329.396 3.577 0 50 EHAA Cc1nn(C)cc1[C@@H](C)n1ccnc1-c1coc(-c2ccccc2)n1 71388674 DBYJFMSZLVRUFV-CQSZACIVSA-N 333.395 3.856 0 50 EHAA Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H](N(C)C)C1 72419049 ZIUGKSLDDKHZRW-AWEZNQCLSA-N 333.863 3.829 0 50 EHAA Cc1ccc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)nn1 72434159 MVTFWGDQVUKDSH-UHFFFAOYSA-N 336.370 3.849 0 50 EHAA O=C1CC2(CCN(Cc3ccc(-c4ccccc4F)cc3)CC2)CN1 77521821 OUQXJERSGDWWBF-UHFFFAOYSA-N 338.426 3.595 0 50 EHAA Cc1ccc(C(=O)CCCN2CCC[C@H](c3nccn3C)C2)cc1 82086711 JICIJAGDFATWHG-SFHVURJKSA-N 325.456 3.571 0 50 EHAA COc1ccc(-c2cc(C(=O)N(C)Cc3ccc(C)s3)[nH]n2)cc1 91518565 NEQRXIIAGMPLRX-UHFFFAOYSA-N 341.436 3.727 0 50 EHAA CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H]1OCCc2ccccc21 138446150 UXVBCYQSFZOXNV-KRWDZBQOSA-N 344.798 3.551 0 50 EHAA CCO[C@H]1C[C@@H](N(C)c2cc(CC)nc(-c3ccccn3)n2)C1(C)C 170637121 KPPXIEKDEVTCOE-SJORKVTESA-N 340.471 3.741 0 50 EHAA c1ccc2[nH]c([C@H]3CCCCN3c3cc(-n4ccnc4)ncn3)cc2c1 170664993 OZBQMZGDQVOFOJ-GOSISDBHSA-N 344.422 3.875 0 50 EHAA c1cc(CN2CCC[C@@H](c3nnc4ccccn34)C2)c2cc[nH]c2c1 179781626 BTNMRJAZICHYHX-MRXNPFEDSA-N 331.423 3.590 0 50 EHAA CCC(CC)n1nc(C(=O)N[C@H]2CCOc3c(F)cccc32)cc1C 188974860 QONGHNQURUTJGM-INIZCTEOSA-N 345.418 3.945 0 50 EHAA C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 229420060 WOCBPCFBTUDGOL-KYOSRNDESA-N 345.830 3.752 0 50 EHAA CC(C)(C)c1ccc(CCC(=O)Nc2ccc(-n3cncn3)cn2)cc1 240454744 FYKKDKSQCWZYGO-UHFFFAOYSA-N 349.438 3.531 0 50 EHAA COCc1ccc(NC(=O)N2CCOC3(CCCCCC3)C2)cc1 252487656 HZCHDALPJQPLPW-UHFFFAOYSA-N 332.444 3.790 0 50 EHAA CN(C)c1ncccc1N(C)C(=O)c1ccc(Cl)c2ncccc12 253398548 WSZQXQKKHCHXJY-UHFFFAOYSA-N 340.814 3.626 0 50 EHAA O=C(CSc1ccccc1)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273355157 ZIDOYCHJFURWCF-SJLPKXTDSA-N 345.439 3.954 0 50 EHAA CC(C)(CC(=O)NC[C@H](O)c1ccc2ccccc2c1)C(F)(F)F 280755888 QBFVPJWLDDRMGC-HNNXBMFYSA-N 339.357 3.968 0 50 EHAA CCNC(=O)C[C@H]1CCCCN1Cc1ncc(-c2ccc(C)cc2)o1 284710201 JBFRQUTVJYPJIB-QGZVFWFLSA-N 341.455 3.531 0 50 EHAA C[C@@H]1Cc2cc(NC(=O)N(C)Cc3cc(C4CC4)on3)ccc2O1 299801757 XMPVZXACKFGAMR-LLVKDONJSA-N 327.384 3.539 0 50 EHAA O=C(Oc1ccc([C@H]2CCOC2)cc1)c1ccnn1-c1ccccc1 791744597 LBBANOWZADMTDS-INIZCTEOSA-N 334.375 3.595 0 50 EHAA CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc(-c3cnco3)cc2)CCO1 827807389 IVNGTHQBKFXZNP-AEFFLSMTSA-N 342.439 3.799 0 50 EHAA Cc1noc2ncnc(N(Cc3nc4ccccc4s3)C3CC3)c12 895814764 YPPVRQFIRPWYRE-UHFFFAOYSA-N 337.408 3.705 0 50 EHAA O=C1N=CC=C[C@H]1c1noc(Cc2cc(Cl)cc3ccccc23)n1 904748235 VAZWCKACCYEZNS-HNNXBMFYSA-N 337.766 3.718 0 50 EHAA C[C@H](c1ccc2c(c1)OCCO2)n1ccnc1-c1cccc2ccnn12 1857711042 YEUGENVHHKBZER-CQSZACIVSA-N 346.390 3.578 0 50 EHAA CN1Cc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C1=O 1875317365 WCEGNIHGUTVYQS-UHFFFAOYSA-N 335.190 3.831 0 50 EHAA COc1ccc(-c2nc(C(=O)Nc3c[nH]nc3C3CC3)cs2)cc1 1875361078 PENSCQBDMCRRDQ-UHFFFAOYSA-N 340.408 3.672 0 50 EHAA Cc1nn(C)c(Cl)c1/C=C/c1ccc([C@]2(C)COC(=O)N2)cc1 2325778024 XYNCSICTCWXAOG-NADMHLTPSA-N 331.803 3.507 0 50 EHAA Cc1cc(CNc2cn(C)nc2C2CCCC2)cnc1-n1cccn1 2325783991 RNEDSAZAUWYEFG-UHFFFAOYSA-N 336.443 3.579 0 50 EHAA COc1ccc(-c2ccc(-c3nccn3C[C@@H](C)OC)cn2)cc1F 2356141164 XAIOQFMBUACSFR-CYBMUJFWSA-N 341.386 3.795 0 50 EHAA Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C2CC2)s1 147185 MAXGBYZPKYVTCO-UHFFFAOYSA-N 326.381 3.631 0 50 EHAA Cc1ccc2nc(-c3ccc(I)cc3)cn2c1 281319 SWTBQJKEEKKOKG-UHFFFAOYSA-N 334.160 3.914 0 50 EHAA biogenic O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCCCCC1 296089 AEUFSGDSFDBWAP-UHFFFAOYSA-N 343.448 3.536 0 50 EHAA Cc1c(Br)ccc(N2C(=O)c3ccccc3C2=O)c1C 473305 HSSQTRPVSBPTGU-UHFFFAOYSA-N 330.181 3.867 0 50 EHAA CC[C@]1(C)OC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)[C@]1(C)O 4727291 NFDZMYANUCAPEO-DLBZAZTESA-N 336.819 3.693 0 50 EHAA COc1ccc(CC[C@H](C)NCc2cc(OC)cc(OC)c2)cc1 4989439 OBPUITQZJORPDV-HNNXBMFYSA-N 329.440 3.823 0 50 EHAA COc1cc(OC)cc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 5915474 ZPQOPAIXSPOBIH-UHFFFAOYSA-N 339.313 3.653 0 50 EHAA CC[C@@H]1CCc2nc3sc(C(=O)N(CC)CC)c(N)c3cc2C1 6710422 GVLPRGCTWIPION-LLVKDONJSA-N 331.485 3.875 0 50 EHAA COc1ccc(CCN2CCC[C@H](CN(C)CC=C(C)C)C2)cc1 11842066 TYMXQFRNZYRIFK-HXUWFJFHSA-N 330.516 3.848 0 50 EHAA Cc1cc(-c2nnc(CCC(=O)N3CCCCCCC3)o2)c(C)o1 11934091 XVHJVTOMEUOKTP-UHFFFAOYSA-N 331.416 3.672 0 50 EHAA COc1cc([C@H]2OCCc3c2[nH]c2ccccc32)cc(OC)c1OC 12418724 DYMHXFGREXPMKB-LJQANCHMSA-N 339.391 3.856 0 50 EHAA CCc1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)no1 13363717 XJGISUFTTULSQQ-UHFFFAOYSA-N 344.802 3.696 0 50 EHAA Cc1n[nH]c(-c2ccc(O)c(C)c2O)c1-c1cnn(-c2ccccc2)c1 17779947 HTOYZTFBMWBZTC-UHFFFAOYSA-N 346.390 3.957 0 50 EHAA O=C(c1cnc2ccccn12)N(Cc1ccccc1)Cc1nccs1 55357784 CHFMGZOXKQLVPY-UHFFFAOYSA-N 348.431 3.633 0 50 EHAA O=C(Nc1nc(C2CCCCC2)n[nH]1)N1CC[C@H]1c1ccccc1 55385793 VGSFVLPPUNWHLB-HNNXBMFYSA-N 325.416 3.831 0 50 EHAA Cc1ccccc1C[C@@]1(CO)CCCN(c2cnc3ccccc3n2)C1 67490173 JOHSNQFEUBEHHT-QFIPXVFZSA-N 347.462 3.760 0 50 EHAA Oc1ccc(Cc2nnc(O)n2-c2ccc(Cl)c(Cl)c2)cc1 67871603 WKRASFJFKAESKV-UHFFFAOYSA-N 336.178 3.576 0 50 EHAA Cc1cccc([C@@H](CNc2cc(C(C)C)nc3ccnn23)N(C)C)c1 72472864 HLAPVBQAWDIMMU-GOSISDBHSA-N 337.471 3.876 0 50 EHAA CC(C)n1cncc1Cn1ccc(-c2cccc(-c3cnccn3)c2)n1 82039487 GNKRQBGJXKYBMS-UHFFFAOYSA-N 344.422 3.833 0 50 EHAA C[C@H](c1nc2ccccc2[nH]1)n1cc(-c2ccc(F)cc2F)nn1 82157092 SBGXPFSKXBDSEV-SNVBAGLBSA-N 325.322 3.709 0 50 EHAA CC[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)c1cc(C)ccn1 91664535 SBWKVBYJQZDSNN-INIZCTEOSA-N 337.423 3.771 0 50 EHAA Cn1ccc([C@@H]2CCCCN2C(=O)c2cc3c(s2)CCCC3)n1 91818780 YDNCESPYPBKEFG-HNNXBMFYSA-N 329.469 3.728 0 50 EHAA CCn1nc(-c2ccc([C@@H](C)N3CCCCC3)cc2)nc1N(C)C 96147774 FYIAOSFHYDZNKB-OAHLLOKOSA-N 327.476 3.578 0 50 EHAA O=C(N1CCC[C@H](Nc2ccccc2)C1)C1(c2ccc(F)cc2)CC1 126256295 OVFJPZUDKSASIO-IBGZPJMESA-N 338.426 3.960 0 50 EHAA CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc3nc(S)oc3c2)C12CCC2 132592085 XVSQKNWXZXUTIU-LSDHHAIUSA-N 346.452 3.536 0 50 EHAA CCOC(=O)[C@H](Br)c1ncc(C(F)(F)F)cc1Cl 144298928 CNBKEGSMNBNDDX-SSDOTTSWSA-N 346.530 3.753 0 50 EHAA OC1(c2ccc(-c3ccccc3)cc2)CCN(c2ncccn2)CC1 148746442 XNQFGUSEZRXDCA-UHFFFAOYSA-N 331.419 3.632 0 50 EHAA O=C(Nc1cc(Cl)cc2c1OCC2)c1cc(-c2cccnc2)on1 167950882 PHKZGIRTSLURTO-UHFFFAOYSA-N 341.754 3.577 0 50 EHAA Cc1ccc(-n2[nH]c(C(=O)Nc3ccc(C)cc3Cl)cc2=O)cc1 174371236 UOMBTQGDHGLICW-UHFFFAOYSA-N 341.798 3.688 0 50 EHAA Cn1nccc1CCC(=O)NC1(c2ccc(F)cc2F)CCCCC1 185867466 CSIHHECFLBFQQH-UHFFFAOYSA-N 347.409 3.607 0 50 EHAA COc1ccc2nc(CN3CC[C@@H](CN4CCCCC4)C3)sc2c1 187084115 FHDKMEKDOWPMAD-HNNXBMFYSA-N 345.512 3.613 0 50 EHAA CC(C)c1nc2c(n1C)CCN(C(=O)Nc1ccsc1Cl)C2 189296578 FKAFYVCBIOSXGJ-UHFFFAOYSA-N 338.864 3.849 0 50 EHAA CC(C)CN1Cc2cccc(NC(=O)c3ncc(F)cc3F)c2C1 192182424 JMGQMRGBEWZPNX-UHFFFAOYSA-N 331.366 3.584 0 50 EHAA O=C(c1cc2ccccc2cn1)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 212544866 GWRCRYJJCZJCBW-PXNSSMCTSA-N 349.478 3.571 0 50 EHAA C[C@H](NC(=O)N1CC[C@@H]([C@H](C)O)C1)c1c(Cl)ccc(F)c1Cl 221799132 GIFNRAAGOUTZNO-LPEHRKFASA-N 349.233 3.606 0 50 EHAA CCCN(C(=O)c1cccc(CCC(C)(C)O)c1)[C@H]1CCCC[C@@H]1O 222529558 FWTGCIRFQKPKMP-OALUTQOASA-N 347.499 3.546 0 50 EHAA Cc1cc2ncn(CC(=O)N3CCC[C@H]4CCCC[C@H]43)c2cc1C 225506783 YLBGPFDEBUKVPX-SJLPKXTDSA-N 325.456 3.834 0 50 EHAA CON(C)C(=O)c1cc(F)ccc1NC(=O)C[C@@H]1CCC[C@H](C)C1 240534499 GOCCOEPSAPAJNA-QWHCGFSZSA-N 336.407 3.614 0 50 EHAA Cc1cc([C@@H]2CCCN2CC(=O)N2CCC[C@H]2c2ccsc2)on1 252467560 RUJXDPGOGMYVNL-HOTGVXAUSA-N 345.468 3.545 0 50 EHAA COCc1ccc(NC(=O)c2cccc(Nc3cnn(C)c3)c2)cc1 252486867 HPQREBDUDFUCNS-UHFFFAOYSA-N 336.395 3.562 0 50 EHAA Cc1oc(C(C)C)cc1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 263036284 DFJAQCFVOKRBSP-OAHLLOKOSA-N 333.359 3.796 0 50 EHAA Cc1cc(NC(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)no1 266390243 ZUPVWPYGRMNBTG-CYBMUJFWSA-N 348.834 3.547 0 50 EHAA O=C(NCCc1cccc(Cl)c1)N[C@H]1CCCC12CCOCC2 282601581 QLQCFIGMHFCGFG-INIZCTEOSA-N 336.863 3.531 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc2c(c1)OCCCCO2 333518902 GOMHDLHUJQCSJJ-KRWDZBQOSA-N 341.455 3.915 0 50 EHAA C[C@@H]1C[C@H](CO)CN(C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)C1 333549247 OZSYXVWACBYOLI-QTVXIADOSA-N 349.500 3.529 0 50 EHAA O=C(CC1(Cn2cccc2)CCCCC1)NCCc1ccccn1 409414694 UQZJITLIBASBIH-UHFFFAOYSA-N 325.456 3.583 0 50 EHAA O=C(NCC1(CF)CCOCC1)N[C@@H]1CCCC12CCCCC2 661270402 KZLKZBOETYHNBC-OAHLLOKOSA-N 326.456 3.555 0 50 EHAA CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)[C@@H]1CC12CCC2 676590327 VLMXYENRFWFTHT-LBPRGKRZSA-N 342.361 3.564 0 50 EHAA C[C@@H](NC(=O)CCc1ccccc1C(=O)O)c1ccc(Cl)cc1 679094022 LXMVAYLJRRPERE-GFCCVEGCSA-N 331.799 3.848 0 50 EHAA COCCn1ccnc1CN(Cc1ccsc1)C1CCCCC1 824466012 BBMNMEFNICYKRD-UHFFFAOYSA-N 333.501 3.926 0 50 EHAA O=C(c1scnc1C1CCCC1)N1CCn2nc(C3CC3)cc2C1 834445948 AIXNANIYPZLFDM-UHFFFAOYSA-N 342.468 3.531 0 50 EHAA Cc1ccc(O[C@@H]2CCN(Cc3cc(C)c4ncccc4c3)C2)nc1 858013575 TZFQCEPFBSRWCM-LJQANCHMSA-N 333.435 3.900 0 50 EHAA Cc1occc1CN[C@H](CC(=O)O)c1cccc(Br)c1 901607943 FUUJVTMEZOWXEU-CQSZACIVSA-N 338.201 3.656 0 50 EHAA CCCc1cccc(CN2CC[C@@H](c3ncc(C(=O)O)s3)C2)c1 905742393 ZJTOLOQVXXAQPA-OAHLLOKOSA-N 330.453 3.783 0 50 EHAA COc1ccc(C)cc1S(=O)(=O)Oc1ccc2ccccc2c1 921233082 LRIXCOPXQZSNAK-UHFFFAOYSA-N 328.389 3.925 0 50 EHAA CCc1nnc([C@H]2CCCN(Cc3ccnn3C3CCCC3)[C@H]2C)o1 952852485 BPMXGAHRWIFIEW-YOEHRIQHSA-N 343.475 3.712 0 50 EHAA Cc1cnn(C2CCCC2)c1NC(=O)c1cccc(-n2cccn2)c1 1529113111 BPZRULDVTWATMP-UHFFFAOYSA-N 335.411 3.745 0 50 EHAA NC(=O)[C@H]1CC=CC[C@@H]1NCc1ccc(-c2cccc(Cl)c2)o1 1615707940 UJOFOQVSVHKUGZ-HOTGVXAUSA-N 330.815 3.510 0 50 EHAA C[C@H](NC(=O)C(=O)c1ccc(Cl)s1)c1ccc(Cl)nc1 1875263754 WAIAMHRIOUCFRU-ZETCQYMHSA-N 329.208 3.510 0 50 EHAA CCc1occ(C)c1C(=O)NC[C@@](C)(COCc1ccccc1)OC 1875285272 IOULFDNKUNYOLV-FQEVSTJZSA-N 345.439 3.502 0 50 EHAA CC(C)[C@@H]1COCCN(c2nc(-c3cccnc3)nc3ccccc23)C1 1875295392 WOPOQJARDLEUEB-KRWDZBQOSA-N 348.450 3.801 0 50 EHAA CC[C@@H]1CCC[C@@]1(C)C(=O)N1CCc2cc(CCC(=O)O)ccc2C1 2325775227 LRQVKRPTDJGEEK-WIYYLYMNSA-N 343.467 3.805 0 50 EHAA COc1ccc(NC(=O)CSc2nc3ccccc3o2)c(OC)c1 272847 XFSLSEKCWNPEED-UHFFFAOYSA-N 344.392 3.576 0 50 EHAA CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 461799 FTYLPIJPWPLNRK-UHFFFAOYSA-N 333.409 3.803 0 50 EHAA Cc1ccccc1Cn1cc(NC(=S)N2CCC[C@@H](C)C2)cn1 2798723 KUTHSRKTWFIFLQ-CQSZACIVSA-N 328.485 3.669 0 50 EHAA CCc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(C)ccc(Cl)c32)cc1 4166129 RADJWYSNQWTVGR-IBGZPJMESA-N 343.810 3.624 0 50 EHAA Cc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1Cl 4520232 LOARVWIXSYAVJX-UHFFFAOYSA-N 346.814 3.732 0 50 EHAA O=C(Nc1ccc(NC(=O)c2cccs2)cc1O)c1ccccc1 6703830 FWWJFAQZMLBJBJ-UHFFFAOYSA-N 338.388 3.958 0 50 EHAA Cc1nnc(NC(=O)CCCOc2ccc(Cl)cc2Cl)s1 9316944 WFGRJWHPSAKRRZ-UHFFFAOYSA-N 346.239 3.951 0 50 EHAA Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCN(C)CC1 20149308 XNZSVQDSACZKEF-UHFFFAOYSA-N 345.446 3.598 0 50 EHAA C[C@H]1[C@@H]2CCCN2CCN1Cc1ccc(OCc2ccccc2)cc1 22078365 FUTZHFNMNGFUOM-AVRDEDQJSA-N 336.479 3.934 0 50 EHAA Cc1cccc2c(=O)n(CC[C@H]3CCCCN3C3CCCC3)cnc12 32580948 KRNVTGFXKJQBFW-GOSISDBHSA-N 339.483 3.892 0 50 EHAA Cc1nc(N(C)Cc2ccccc2CN(C)C)c2ccsc2n1 55360835 XICJGEQGCYDMAS-UHFFFAOYSA-N 326.469 3.698 0 50 EHAA COc1ccccc1CN(Cc1cccnc1)C(=O)c1ccsc1 55385638 UAKFXVVQUIFBEW-UHFFFAOYSA-N 338.432 3.994 0 50 EHAA Cc1ccc(NC(=O)C2CCCCC2)c(NC(=O)c2ccnnc2)c1 55404520 CYJIRLOTQVOLAI-UHFFFAOYSA-N 338.411 3.556 0 50 EHAA CSCC[C@H]1CC(=O)Nc2c1cnn2Cc1ccccc1Cl 65417324 SXFMTGVENDOQBJ-NSHDSACASA-N 335.860 3.764 0 50 EHAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@H](c3ccn[nH]3)C2)c1 67473536 SYVXZPWZTPSPQW-INIZCTEOSA-N 335.455 3.796 0 50 EHAA NC(=O)c1cccc(NC(=O)c2cc3c(ccc4ccccc43)o2)c1 72437702 NQIIJQGWBCOGNF-UHFFFAOYSA-N 330.343 3.937 0 50 EHAA c1ccc(OCCN2CCC(c3nccn3CC3CC3)CC2)cc1 91724953 YMALFOFWMXEWKV-UHFFFAOYSA-N 325.456 3.552 0 50 EHAA CN(C(=O)c1ccc(Cn2ccnc2)o1)[C@H]1CCCc2ccccc21 91951917 KGQSNTQUKBJYJR-SFHVURJKSA-N 335.407 3.674 0 50 EHAA CCCc1c(C)[nH]c2nc(SCc3ccccc3Cl)nn2c1=O 100133750 NWQWDPVGQILUCU-UHFFFAOYSA-N 348.859 3.624 0 50 EHAA O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H]1c1cccc2c1OCCO2 110575118 UYWPJGZBMAGELX-BZUAXINKSA-N 339.391 3.518 0 50 EHAA O=C(Cc1cccs1)N1CCC(Oc2ccc(F)cc2F)CC1 127119557 GOWIMGPIIPTMHK-UHFFFAOYSA-N 337.391 3.639 0 50 EHAA O=C(Nc1ccccc1)c1nnc(CN2CCC[C@H]2C2CCC2)s1 182433428 CTMFCJOVQQNTDL-HNNXBMFYSA-N 342.468 3.555 0 50 EHAA Cc1cc2c(cc1NC(=O)N[C@@H]1CCc3cc(F)ccc31)OCO2 183796974 ASYSELNTJZAWEO-CQSZACIVSA-N 328.343 3.672 0 50 EHAA C[C@H](CC(=O)N1C[C@@H](C(=O)O)c2ccccc21)c1cccc(F)c1 192949094 CJHCHQLGSQITLO-MLGOLLRUSA-N 327.355 3.534 0 50 EHAA COC(=O)CC1(NC(=O)c2cccc(-c3ccoc3)c2)CCCC1 193917178 YRLVGAQLZBRNSE-UHFFFAOYSA-N 327.380 3.552 0 50 EHAA c1nc(C2CCCCC2)ncc1CN1CCCN(C2CCCC2)CC1 215753070 ZJAAPSKTLULOJC-UHFFFAOYSA-N 342.531 3.975 0 50 EHAA CCc1ccc(O)c(NC(=O)c2nc(Br)ccc2F)c1 225402923 YJUVEDIRXHGGRC-UHFFFAOYSA-N 339.164 3.504 0 50 EHAA COCCC1(NC(=O)/C=C/c2cc(Br)cs2)CCC1 225433934 XOYORDSBVGEZGP-ONEGZZNKSA-N 344.274 3.599 0 50 EHAA Nc1c(F)cc(Cl)cc1C(=O)N1CCC[C@H](c2nccs2)C1 225559588 VPOJYHLRNJDTKL-VIFPVBQESA-N 339.823 3.538 0 50 EHAA Cc1nc([C@H]2CCCN2C(=O)N[C@H]2CCCC23CCOCC3)cs1 240934431 JCADOTPJRFBQRP-CVEARBPZSA-N 349.500 3.647 0 50 EHAA O=C(Nc1ccc(-c2nccs2)cc1)N1CCOCC2(CCC2)C1 242292541 YNBZFIHCNNRBAU-UHFFFAOYSA-N 343.452 3.845 0 50 EHAA C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N[C@H](CCCO)c1ccccc1 246443224 DOXJTXMRGXZZNZ-LULLPPNCSA-N 330.472 3.863 0 50 EHAA C[C@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC=C2CC(=O)O 257358878 WXRCQADVBJRAON-HDGUCRAISA-N 346.467 3.580 0 50 EHAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Cl)cn1 261493539 DDJQGWHRXXGGTE-UHFFFAOYSA-N 329.784 3.807 0 50 EHAA CC(C)n1c([C@@H](C)NC(=O)c2cc(C3CC3)on2)nc2ccccc21 265598505 LRIGOPJHZLNVDK-GFCCVEGCSA-N 338.411 3.974 0 50 EHAA Cc1noc([C@@H]2CC[C@H](CNCc3cc4ccccc4s3)O2)n1 275256177 HHIURCHQDHHIBN-HIFRSBDPSA-N 329.425 3.603 0 50 EHAA COc1ccc(CC[C@H](C)N[C@H]2CCCO[C@@H]2c2ccncc2)cc1 275534344 MEPXTGRMJOCRJQ-ORYQWCPZSA-N 340.467 3.921 0 50 EHAA Cc1ccc(NC(=O)N2CCC[C@@H](c3cc(O)nc(C)n3)C2)c(C)c1 299796987 PBKQHGPNGNFMDP-OAHLLOKOSA-N 340.427 3.519 0 50 EHAA Cc1cnc([C@@H](C)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)o1 331876619 UQUGFIKIAXMFML-MNOVXSKESA-N 328.338 3.666 0 50 EHAA O=C(C[C@H]1CCOC1)N(Cc1cc(F)ccc1F)c1ccccc1 351626491 CKYXAHAKALHRLU-CQSZACIVSA-N 331.362 3.925 0 50 EHAA CC(C)c1nc(C2CCN(c3noc(-c4ccccc4)n3)CC2)no1 366110011 HDOLWZQMADJGDV-UHFFFAOYSA-N 339.399 3.627 0 50 EHAA O=C(c1cccc(OCc2ccccc2)c1)N1CCCC[C@@H](CO)C1 371280133 NNKCTKVZXNNCJM-GOSISDBHSA-N 339.435 3.500 0 50 EHAA COc1ccc2cccc(CC(=O)N[C@@H]3CCO[C@@H](C(C)C)C3)c2c1 408513775 PEVQVFFLPXVZKF-YLJYHZDGSA-N 341.451 3.711 0 50 EHAA C[C@@H](NC(=O)c1cn(C)c(=O)c2ccccc12)C(C)(C)c1ccccc1 428711691 RJRUNCSUFNUFAI-OAHLLOKOSA-N 348.446 3.635 0 50 EHAA O=C(Nc1ccc2oc(C(=O)O)cc2c1)c1csc(C2CC2)n1 439988096 CLUWWMNYVWAWNA-UHFFFAOYSA-N 328.349 3.717 0 50 EHAA Cc1ccc([C@@H](NC(=O)CCc2cccnc2)c2cccnc2)cc1C 827992212 FJCUQOYOKVSKDQ-JOCHJYFZSA-N 345.446 3.932 0 50 EHAA CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)c2C1 888090642 MHQBSNSIBYCHSL-AJNGGQMLSA-N 327.472 3.503 0 50 EHAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)C1(CCc2ccccc2)CC1 932985664 WRHYXGBOFMMKQS-LJQANCHMSA-N 335.451 3.692 0 50 EHAA Clc1ccc[n+](Cc2cccc(C[n+]3cccc(Cl)c3)c2)c1 951727054 WNERTIPBLLGBPW-UHFFFAOYSA-N 331.246 3.665 0 50 EHAA CCc1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 1775986631 DRGRREGYZYXOIF-IBGZPJMESA-N 347.422 3.547 0 50 EHAA Cc1ncnc(Nc2ccc([C@@H]3CCOC3)cc2)c1Br 1857530165 NLVBHYWEXAYDOV-GFCCVEGCSA-N 334.217 3.795 0 50 EHAA Cc1ccnn1-c1cccc(NC(=O)NCc2ccc3c(c2)CCC3)c1 1875255977 GDZGYPSDIRESCD-UHFFFAOYSA-N 346.434 3.991 0 50 EHAA Cc1ccc2sc(NC(=O)c3cc(O)nc(Cl)c3)nc2c1C 1875338487 ZDBZLDZTAOYUAY-UHFFFAOYSA-N 333.800 3.919 0 50 EHAA CC(=O)NCc1ccc(C(=O)OCc2ccc(C)c(Cl)c2)cc1 1875353710 CZYMAESKQVJQDC-UHFFFAOYSA-N 331.799 3.642 0 50 EHAA Cc1nc2c([nH]1)CN(Cc1ccc(-n3cnc4ccccc43)cc1)CC2 2325720059 WBVKZGSRNPSZAI-UHFFFAOYSA-N 343.434 3.615 0 50 EHAA O[C@H](Cc1ccc(-c2cccc(OCCn3ccnc3)c2)cc1)C1CC1 2325755651 CTMYBARBXUDTQW-JOCHJYFZSA-N 348.446 3.943 0 50 EHAA Cc1cc(NC(=O)NCCc2cccc3c2OC(C)(C)C3)ccc1N 2325757822 ZOKUTXBMJFLWIS-UHFFFAOYSA-N 339.439 3.655 0 50 EHAA COc1ccc(-c2ccnc(N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)n2)cc1 2325840027 MFDAJFGWCYVHIA-KBAYOESNSA-N 339.439 3.768 0 50 EHAA Cc1ncn(-c2ccc(CN3CCN(C)c4ccccc4C3)cc2)c1C 2325859552 ANURGYFESGYQCV-UHFFFAOYSA-N 346.478 3.941 0 50 EHAA Cc1cccc(C(=O)N2N=C3CCCCC[C@@H]3[C@@]2(O)C(F)(F)F)c1 79284 MXYFQCPBKRXFOP-XJKSGUPXSA-N 340.345 3.638 0 50 EHAA O=C1c2ccccc2C(=O)N1Cc1ccc2[nH]c3c(c2c1)CCCC3 107431 PCBFCGKPOYZRHU-UHFFFAOYSA-N 330.387 3.843 0 50 EHAA CCOc1ccccc1CN1CCc2cc(OC)c(OC)cc2C1 294101 PDBOQHGOILBXBZ-UHFFFAOYSA-N 327.424 3.661 0 50 EHAA biogenic O=c1c2cc(Br)ccc2ncn1Cc1ccccc1Cl 351753 VGSDNIQAOQFDMN-UHFFFAOYSA-N 349.615 3.861 0 50 EHAA COC(=O)c1ccc(OC(=O)CCCOc2ccc(Cl)cc2)cc1 1904145 RBNIAGQSAGIFGI-UHFFFAOYSA-N 348.782 3.891 0 50 EHAA CCCN1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2cc(Cl)ccc21 2441120 BLLGXRDTCVJXCG-IBGZPJMESA-N 340.810 3.814 0 50 EHAA CCCCn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21 2721412 MLHCIRGHXZDRFN-UHFFFAOYSA-N 339.414 3.948 0 50 EHAA aggregator CCCOC(=O)c1cccc(NC(=O)c2c(OC)cccc2OC)c1 3959413 OMHLVDAXYUGPRD-UHFFFAOYSA-N 343.379 3.523 0 50 EHAA CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 4011029 FYUSETWRSLPLMK-DRZCJDIDSA-N 348.830 3.700 0 50 EHAA O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(Br)cc1 4814496 BYHNBQKGSRHFLI-UHFFFAOYSA-N 348.168 3.528 0 50 EHAA Cc1ccc(C(=O)N/C(=C\c2cccs2)c2n[nH]c(=S)[nH]2)cc1 4828757 OAGOMHMUMJJWBN-LCYFTJDESA-N 342.449 3.765 0 50 EHAA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1OC 4916524 JMNXNEWGJNFPHR-MRXNPFEDSA-N 345.439 3.552 0 50 EHAA Cc1nc(N[C@@H](Cc2ccccc2)C(=O)O)c2oc3ccccc3c2n1 5158467 RXYAOWWCBNEJFM-HNNXBMFYSA-N 347.374 3.792 0 50 EHAA CCOC(=O)C1CCN(CCCCOc2ccc3c(c2)CCC3)CC1 6703268 GITRZPVWHGNMDO-UHFFFAOYSA-N 345.483 3.609 0 50 EHAA CC(C)C(=O)NCCCc1nc2ccccc2n1CCc1ccccc1 12381917 XUAAGYYNGPVYJL-UHFFFAOYSA-N 349.478 3.984 0 50 EHAA CC[C@@H](C)NC(=O)c1sc2ncnc(N3CCCCC3)c2c1C 15004218 OADKUKUGBKLRNL-LLVKDONJSA-N 332.473 3.518 0 50 EHAA COC[C@H]1CCCN(C(=O)c2ccc(NC3CCCCCC3)nc2)C1 20534817 RLYYQSUDJBQMBE-INIZCTEOSA-N 345.487 3.715 0 50 EHAA CCCCn1ncc(C)c1NC(=O)[C@@H](C)n1cnc2ccccc21 55341310 JMLAHHSAQXWWOT-CQSZACIVSA-N 325.416 3.541 0 50 EHAA C[C@@H](c1ccccn1)N(C)Cc1cc2ccc(Cl)cc2[nH]c1=O 67975129 PCNQBPFMZDJYFQ-LBPRGKRZSA-N 327.815 3.770 0 50 EHAA COc1ccc2cc([C@@H]3CN(c4ncnc(C)c4C)CCO3)ccc2c1 71755037 PLONTGHNZUHWPQ-FQEVSTJZSA-N 349.434 3.833 0 50 EHAA COc1ccc(F)c(F)c1CN1CCC[C@H](OCc2ccccn2)C1 72125631 RVAGLZPYLLYUNV-HNNXBMFYSA-N 348.393 3.550 0 50 EHAA O=C(O)c1ccc([C@H]2CCN(Cc3cccc(-n4cccn4)c3)C2)cc1 72134644 PGPGNDLKJIPGDB-IBGZPJMESA-N 347.418 3.560 0 50 EHAA C[C@@H]1CN(C(=O)Nc2cccnc2Oc2ccccc2F)CCCO1 95523990 OGPWJDQYNIGSEA-CYBMUJFWSA-N 345.374 3.656 0 50 EHAA C[C@H](Nc1cnn(CC(F)(F)F)c1)c1nnc(-c2ccccc2)o1 126272345 YQORUTLFMIXSFL-JTQLQIEISA-N 337.305 3.669 0 50 EHAA COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 138792032 MYUCXNKKIXNFNP-YRGRVCCFSA-N 338.879 3.962 0 50 EHAA Cc1ccc(C[C@H]2CCCN2C(=O)c2cnc(C(F)(F)F)nc2)cc1 157126359 VUVWPVNMTJIMQK-OAHLLOKOSA-N 349.356 3.651 0 50 EHAA Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 158312588 OPIPWIVCLZEIDU-BEFAXECRSA-N 340.471 3.894 0 50 EHAA C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)CCc2cccc(N(C)C)c2)C1 194560688 NVCNHQIWFUVYFH-UZLBHIALSA-N 337.467 3.690 0 50 EHAA C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1nccs1)C1CC1 223164373 YRMAFZLGAVSKSK-NSHDSACASA-N 336.844 3.755 0 50 EHAA CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3ncccc3O)c12 225506181 MCDHCEQVKJPRMI-UHFFFAOYSA-N 338.367 3.577 0 50 EHAA CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H]2CCc3c(O)cccc32)C1 242346943 ZKKAZLNSQVUJND-ZENOOKHLSA-N 334.485 3.695 0 50 EHAA CC[S@](=O)[C@@H]1CCCC[C@H]1N[C@@H](C)c1ccc(F)c(OC)c1 252487144 SNRAKAZNSPVVCI-ATCYZTLESA-N 327.465 3.565 0 50 EHAA Cc1ccc(CC[C@H](C)NC(=O)N2CCCC[C@H]2c2ccnn2C)o1 253426751 OOXSSURAMUWYIH-KSSFIOAISA-N 344.459 3.579 0 50 EHAA O=C(O)[C@H]1CCCCN1Cc1nc(-c2c(F)cccc2F)cs1 263563873 DPNRJENYAHONLL-CYBMUJFWSA-N 338.379 3.527 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c2nccc(C)c2c1 283323520 FTKGMPXCJMEXTR-HNNXBMFYSA-N 334.423 3.595 0 50 EHAA CC(C)c1ncncc1C(=O)Nc1cccc(CN2CCCCC2)c1 298751875 OOOQPBVPUVATGQ-UHFFFAOYSA-N 338.455 3.838 0 50 EHAA O=C(c1cccc(-c2nc3ccccc3s2)c1)N1CCC[C@H]1CO 299757874 CQTHNTRJLWRVGI-HNNXBMFYSA-N 338.432 3.560 0 50 EHAA COc1ccccc1[C@H]1[C@@H](N)CCCN1C(=O)[C@@H](C)c1cccs1 328596807 AERXVZAYFSLYEO-YEWWUXTCSA-N 344.480 3.551 0 50 EHAA O=C(c1cncc(O)c1)N1CCCCC[C@H]1/C=C/c1cccs1 329089987 IUAVNWBJIQFHAV-KIUWMYQTSA-N 328.437 3.947 0 50 EHAA Cc1ccc(C(=O)Cn2cc(-c3cccc(Cl)c3)n(C)c2=N)cc1 334157563 LVPVAMGNWXDWAL-UHFFFAOYSA-N 339.826 3.818 0 50 EHAA CC(=O)NCc1ccc(Nc2ncnc3c2oc2ccccc23)cc1 354079009 BHQQTYVMSLJFJY-UHFFFAOYSA-N 332.363 3.756 0 50 EHAA CC1(C)CN(C(=O)c2cc3c([nH]2)CCOC3)c2cccc(Cl)c21 457524703 VGVWIXWLGOLALC-UHFFFAOYSA-N 330.815 3.679 0 50 EHAA CC[C@H](NC(=O)N(C)Cc1cc(C)cc(C)n1)c1ccc(OC)cc1 584896049 POVGWOXXQDTHSR-IBGZPJMESA-N 341.455 4.000 0 50 EHAA COCC[C@@H]1CCCCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 652444216 AWZZWYRWUGTJFL-AWEZNQCLSA-N 331.412 3.770 0 50 EHAA CSCc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)o1 824920078 CDTFQHRXRLLDMA-HNNXBMFYSA-N 347.436 3.953 0 50 EHAA c1cnc([C@@H]2CCCCN2c2ncnc3c2oc2ccccc23)nc1 895974281 DMPMTZXLORUWMG-AWEZNQCLSA-N 331.379 3.898 0 50 EHAA Cc1cc(C)n(C[C@@H](C)NCCc2cccc(C(F)(F)F)c2)n1 952969300 ATQBESNMCRWTHO-CYBMUJFWSA-N 325.378 3.740 0 50 EHAA CC(C)(C)OC(=O)N1CCn2c(-c3ccccc3Cl)cnc2C1 1875319195 SFSLTMHSMMRMET-UHFFFAOYSA-N 333.819 3.954 0 50 EHAA CCOc1ccc(NC(=O)Nc2c[nH]nc2-c2nccs2)c(F)c1 1875332513 VVRBEIKQLWRMKU-UHFFFAOYSA-N 347.375 3.715 0 50 EHAA O=C(Nc1ccccc1)Nc1cccc(OC[C@H]2C[N@@]2CC2CC2)c1 1875385661 YFFOBFLPRNTFHV-WZONZLPQSA-N 337.423 3.804 0 50 EHAA Cc1ccc2c(N3CCn4c(cnc4C(F)(F)F)C3)ccnc2c1 2325789446 QRZLOAITETYNSK-UHFFFAOYSA-N 332.329 3.779 0 50 EHAA Fc1ccc2c(c1)CC[C@H](CNCc1c[nH]nc1-c1ccccc1)O2 2325857904 UFEPWRODLDPNLD-GOSISDBHSA-N 337.398 3.699 0 50 EHAA CCCN1CCC[C@@]2(CCCN2Cc2cccc(Cl)c2F)C1=O 2356163520 HKESVZIGLHESLL-GOSISDBHSA-N 338.854 3.846 0 50 EHAA CC(C)N(C(=O)c1ccc(C(=O)NCc2ccccc2)cc1)C(C)C 64103 LWTMVVSOLVNPTE-UHFFFAOYSA-N 338.451 3.876 0 50 EHAA COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C 129764 BTCGSBWQZDSBSE-LBPRGKRZSA-N 347.798 3.841 0 50 EHAA COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 463306 PQVQZKOFMPIRTE-AWEZNQCLSA-N 329.396 3.727 0 50 EHAA C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 465534 OLSMKBRLRQKSSI-VIFPVBQESA-N 341.782 3.922 0 50 EHAA CCOc1ccccc1[C@@H]1CC(=O)Nc2cc(OC)c(OC)cc21 612085 RVWWQPJIIUVMMW-ZDUSSCGKSA-N 327.380 3.577 0 50 EHAA Cc1cccc(Cn2nc(C)cc2NC(=O)c2ccc3c(c2)OCO3)c1 1431351 WLLYOBMHRHIBEG-UHFFFAOYSA-N 349.390 3.529 0 50 EHAA OCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2845504 CXHQILPTVLIQAY-UHFFFAOYSA-N 326.223 3.654 0 50 EHAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ncccn1 2893099 NXTLSXDRGJETNY-UHFFFAOYSA-N 326.183 3.581 0 50 EHAA CCCCOC(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1 5046533 BRHLXSHQEGISFC-UHFFFAOYSA-N 327.380 3.904 0 50 EHAA CC(=O)[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN12 5495663 SZKKXDBSKQUZBX-WMZOPIPTSA-N 326.783 3.799 0 50 EHAA COc1ccccc1NC(=O)NCc1cccc(Br)c1 6725887 CMOUIXDRLPJHTA-UHFFFAOYSA-N 335.201 3.779 0 50 EHAA CC(=O)N1CCC(N2CCC[C@H](CCc3ccccc3C)C2)CC1 11839921 ICRNHLOBZUOHMD-LJQANCHMSA-N 328.500 3.651 0 50 EHAA CC(C)Oc1cccc(C(=O)Nc2nnc(-c3ccncc3)s2)c1 12382805 FOVDHJUVWJVGMW-UHFFFAOYSA-N 340.408 3.640 0 50 EHAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1cscn1 12448273 UHIOUVFEFMHMEV-UHFFFAOYSA-N 339.420 3.877 0 50 EHAA OC[C@@]1(Cc2ccccc2F)CCCN(CCc2ccccc2)C1 12595708 IHQMFXYVWUUMMV-OAQYLSRUSA-N 327.443 3.685 0 50 EHAA Cc1cc2nc(SCC(=O)N3CCc4ccccc43)[nH]c2cc1C 19829561 UCRCQCJFXDNKQF-UHFFFAOYSA-N 337.448 3.861 0 50 EHAA C[C@@H]1CN(CCOc2ccc(Cl)cc2Br)C[C@@H](C)O1 20168371 XVICSHBDGZJXDI-GHMZBOCLSA-N 348.668 3.591 0 50 EHAA CC(C)c1nc(Cn2ccc(-c3cccc(-c4cncnc4)c3)n2)no1 20321935 GBMYWVWHTAOZLK-UHFFFAOYSA-N 346.394 3.562 0 50 EHAA Cc1cc(C(F)(F)F)nn1CCNC(=O)Nc1ccc(Cl)cc1 20606792 MQKOEXUBMSIVBM-UHFFFAOYSA-N 346.740 3.685 0 50 EHAA Cc1nn(C)cc1-c1nn(-c2ccccc2)c(-c2cn(C)nc2C)c1C 20617862 CJOVQOPJZUBOJZ-UHFFFAOYSA-N 346.438 3.599 0 50 EHAA Cn1ccnc1CNC1CCN(c2cccc(-c3ccccc3)c2)CC1 23478427 AFKSHSNQHFGSAL-UHFFFAOYSA-N 346.478 3.846 0 50 EHAA COc1ccc(CN2CCC([C@@H](O)Cc3ccccc3)CC2)cc1F 72431477 KTJASMJHHRHSAY-FQEVSTJZSA-N 343.442 3.650 0 50 EHAA COc1cccc([C@@H]2CCCN2C(=O)CCc2cc(Cl)no2)c1 77455400 XHCWAJGPVZTDBC-HNNXBMFYSA-N 334.803 3.633 0 50 EHAA CC(C)C[C@H](O)C1CCN(Cc2cnc(CC3CCCC3)[nH]2)CC1 77505297 QQCOYFJJSUDGRG-IBGZPJMESA-N 333.520 3.761 0 50 EHAA O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]1C(F)(F)F 82098291 QQSMINGELDBPIZ-CYBMUJFWSA-N 340.370 3.901 0 50 EHAA CC(C)c1cc(C(=O)NCCCc2nc3ccccc3s2)n(C)n1 91551317 ICKIXNJTEURHIQ-UHFFFAOYSA-N 342.468 3.516 0 50 EHAA CC[C@H](C(=O)N(Cc1ccccn1)C1CCCCC1)n1cccn1 91974319 KMWNALIISFDWLD-GOSISDBHSA-N 326.444 3.591 0 50 EHAA Cc1ccccc1COc1ccccc1CN1C[C@@H]2CC[C@H]1CNC2 97294925 MJGYLAUARMNQGG-NQIIRXRSSA-N 336.479 3.758 0 50 EHAA CCn1c2ccccc2c2cc(NC(=O)CCCCC(N)=O)ccc21 170601861 UKYPXJBRLQWRSI-UHFFFAOYSA-N 337.423 3.799 0 50 EHAA CCOC(=O)[C@@H]1CCC[C@H](CNc2ccccc2O[C@@H]2CCOC2)C1 170616066 JHCWDBUFZMMZRW-GVDBMIGSSA-N 347.455 3.636 0 50 EHAA CCO[C@H]1C[C@H](NC(=O)c2cc3c(C)cc(F)cc3[nH]2)C12CCC2 170639072 VIQJQLKSSODFIA-IRXDYDNUSA-N 330.403 3.693 0 50 EHAA CCN(Cc1c[nH]c2ccccc12)C(=O)C[C@H]1C(=O)Nc2ccccc21 188960307 AGPJQJXGZDLPLF-QGZVFWFLSA-N 347.418 3.642 0 50 EHAA CS[C@@H](CO)[C@H](C)NCc1ccc(F)c(-c2cccs2)c1 219036583 WSMLMFZMXWRBFT-ZBEGNZNMSA-N 325.474 3.756 0 50 EHAA CCc1noc(CN(C)C(=O)c2csc(C)c2-c2ccccc2)n1 220520369 KCLMMRWUIAVOSC-UHFFFAOYSA-N 341.436 3.941 0 50 EHAA O=C(O)C[C@H](NC(=O)C[C@H]1CCCc2ccccc21)c1ccccc1 237937395 MDCJHWGHEMBBKT-MJGOQNOKSA-N 337.419 3.829 0 50 EHAA Cc1nnc([C@@H](C)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)o1 246777122 QQMPODHHCKTDKT-DGCLKSJQSA-N 332.473 3.654 0 50 EHAA Cc1ccc(NC(=O)C2CC2)cc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 253369549 DXWVIULFMMBWTJ-CGTJXYLNSA-N 326.440 3.713 0 50 EHAA C[C@@]1(c2nc(-c3cccc(Oc4ccccc4)c3)no2)CCC(=O)NC1 253427154 GSUVEQNPZNEPML-HXUWFJFHSA-N 349.390 3.697 0 50 EHAA CN(C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)[C@H]1CCOC1 271277188 LEWZGIFMIWNAIX-LSDHHAIUSA-N 342.361 3.587 0 50 EHAA Cc1nnc([C@H](C)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)s1 283143440 ODDNUMRKQILRFW-XZJROXQQSA-N 335.448 3.635 0 50 EHAA CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc(F)cc1Cl 295462881 QAZOGZCODSWXJT-VIFPVBQESA-N 327.705 3.566 0 50 EHAA CC(C)(C)C[C@H](NC(=O)Nc1ccc2[nH]nnc2c1)c1cccnc1 299801895 YJBAVHXLTSLHML-INIZCTEOSA-N 338.415 3.652 0 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CNC(=O)c1cc(-c2ccc(O)c(OC(F)(F)F)c2)ccc1Cl 1772709242 JXBGATVRKZENMP-UHFFFAOYSA-N 345.704 3.971 0 50 EHAA Cc1ccccc1NCCc1nc(-c2cccc([C@H](O)CF)c2)no1 1775999665 TYDOMAXSTAGKRA-QGZVFWFLSA-N 341.386 3.703 0 50 EHAA CCCC[C@@H]1CN(Cc2ccc(CC(=O)O)cc2)C[C@H](C(C)C)O1 1875247733 PYQVPSFXUMBPJN-RTBURBONSA-N 333.472 3.729 0 50 EHAA Cc1ccccc1OCc1nc(-c2n[nH]c(C)c2C)n(C(C)C)n1 1875348817 DECOJCOBGAZCMM-UHFFFAOYSA-N 325.416 3.753 0 50 EHAA C=CC(=O)N(Cc1cccc(Cl)c1F)[C@H](C)C1CCOCC1 1875382777 QQFNSSLTRVBWLK-GFCCVEGCSA-N 325.811 3.809 0 50 EHAA Cc1cc(C(=O)NC[C@H](O)c2ccccc2C)c2c(c1)[C@@H](C)CCN2 2325842043 NAGHIPUUQGADSX-KXBFYZLASA-N 338.451 3.686 0 50 EHAA COc1cc2c(cc1OC)-c1nnc(-c3ccco3)n1C(C)(C)C2 194301 XHDUTVSNJKGYGR-UHFFFAOYSA-N 325.368 3.514 0 50 EHAA CCCn1c([C@H](O)c2cc(OC)ccc2OC)nc2ccccc21 233950 GTMXXTNYPOJJEV-GOSISDBHSA-N 326.396 3.545 0 50 EHAA O=S(=O)(Nc1ccccc1Cl)c1ccc(Br)cc1 514270 YZRTXPOHUIZHPI-UHFFFAOYSA-N 346.633 3.903 0 50 EHAA Cc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 529528 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COc1ccc(-c2nnc3sc(-c4ccsc4)nn23)cc1OC 35325846 BJTBLQCNFZEJTF-UHFFFAOYSA-N 344.421 3.599 0 50 EHAA CC/C=C(\C)CN1CCC(n2cc(CN3CCCC3(C)C)nn2)CC1 48115515 QZOOGRDQLXDUSD-REZTVBANSA-N 345.535 3.646 0 50 EHAA CSc1nnc(CC2CCN(C[C@@H](C)c3ccccc3)CC2)n1C 55310462 HBZCCYODCMONEK-OAHLLOKOSA-N 344.528 3.595 0 50 EHAA Cc1c(Cl)cccc1NC(=O)[C@H](C)n1ncc2ccccc2c1=O 67603560 VDQFPWQZGXHMKN-LBPRGKRZSA-N 341.798 3.558 0 50 EHAA CCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2 95361581 QCDRCEZGCXKSFM-SFHVURJKSA-N 326.484 3.657 0 50 EHAA C[C@H](Cc1cnccn1)NC(=O)Nc1cccc(OC2CCCC2)c1 96162196 QUHYLGYJDSZLME-CQSZACIVSA-N 340.427 3.551 0 50 EHAA O=C(COc1ccc2ccccc2c1)NCC1(CCO)CCCCC1 135842982 QEJMFSFXFJAPSB-UHFFFAOYSA-N 341.451 3.668 0 50 EHAA CN1CCc2cc(C(=O)N[C@@H]3CCSc4c(F)cccc43)ccc21 170601219 RJZJQSBLYAEOTJ-MRXNPFEDSA-N 342.439 3.785 0 50 EHAA CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(/C=C/C(=O)O)cc2)n1 170602309 WKJRWYKVWBOJMH-VMPITWQZSA-N 345.786 3.604 0 50 EHAA O[C@H](CNCc1ccc(Br)o1)c1ccc(Cl)s1 191241021 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GTQAYYPGBAJOEK-HNNXBMFYSA-N 329.421 3.743 0 50 EHAA CCn1ccnc1[C@@H]1CCCCN1C(=O)[C@@H]1CCCC(F)(F)C1 328586272 NDZVITNYCDSMCI-KGLIPLIRSA-N 325.403 3.782 0 50 EHAA Cc1ccc(OCC(=O)Nc2ncc(-c3ccccn3)s2)c(C)c1 359341616 FUARWXPBLNAKTA-UHFFFAOYSA-N 339.420 3.839 0 50 EHAA CC(C)(CCCO)CNC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 376943515 AAENJVOZKRZALK-IPMKNSEASA-N 344.499 3.763 0 50 EHAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1ccccc1-c1ccc(C)o1)CC2 426376380 NHUHOBTWAWEEPI-DZFGPLHGSA-N 341.451 3.759 0 50 EHAA O=C(NCC[C@H]1CCCN1)c1ccc(-c2nccc3ccccc23)cc1 426545466 ZUZIVROVQXZMEN-LJQANCHMSA-N 345.446 3.774 0 50 EHAA C[C@H]1CN(CCOc2ccccc2C(F)(F)F)CCN(C2CC2)C1 451086975 WJUIMUHOQJFTFK-AWEZNQCLSA-N 342.405 3.500 0 50 EHAA CCn1cnnc1[C@@H](C)NC(=O)c1cccc(-c2ccccc2C)c1 823592410 JFMBZWIYTPBIDL-OAHLLOKOSA-N 334.423 3.764 0 50 EHAA c1cncc(-c2nc3c(c(N[C@H]4CCCc5cnccc54)n2)CCC3)c1 897136553 UPVGTEGTNUZAKK-SFHVURJKSA-N 343.434 3.912 0 50 EHAA C[C@@H](CCc1cccnc1)NC[C@H]1CCCc2ccc(C(=O)O)cc21 901883591 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346.587 3.710 0 50 EHAA C[C@@H](c1ccccc1)N1C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=S 386498 XFSVAHFGTTYMJE-SCLBCKFNSA-N 349.459 3.557 0 50 EHAA Cc1ccc(S(=O)(=O)C[C@H](c2ccccc2)N2CCCC2)cc1 467587 WTXPEERIMBCKLR-LJQANCHMSA-N 329.465 3.606 0 50 EHAA CCOc1ccc(CC(=O)Nc2ccc(C(C)=O)cc2)cc1OCC 474935 XSAGFVFIOQPEIL-UHFFFAOYSA-N 341.407 3.868 0 50 EHAA O=C(CCCOc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 1773597 IJNOLBZPAJJWMX-UHFFFAOYSA-N 333.771 3.866 0 50 EHAA CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)cc1 2053699 GLTLUYWEWHWBOV-UHFFFAOYSA-N 349.843 3.651 0 50 EHAA CCNC(=O)n1nccc1[C@H](C)Oc1cccc(C(F)(F)F)c1 3016414 ZWKAWSNEOQTQHT-JTQLQIEISA-N 327.306 3.620 0 50 EHAA COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@H]1c1cccc(F)c1 4957032 TUQZDUVNIJLWCY-ICSRJNTNSA-N 338.382 3.704 0 50 EHAA CC[C@H]1CCCCN1C(=O)c1coc(COc2ccc(OC)cc2)n1 11700324 XHIRJYBEXKEWGA-AWEZNQCLSA-N 344.411 3.667 0 50 EHAA Cc1cc(Cl)c2oc(C(=O)N(C)Cc3nccn3C)c(C)c2c1 12433292 MMFWTTYZNANXBW-UHFFFAOYSA-N 331.803 3.709 0 50 EHAA Cc1ncsc1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 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c1ccc2[nH]c([C@@H]3CCCN(Cc4ccc(-c5cc[nH]n5)o4)C3)nc2c1 72429361 FIAOLLANKKFYOF-CQSZACIVSA-N 347.422 3.926 0 50 EHAA Cc1cccc2[nH]c([C@@H]3CCCN(c4ncnc5[nH]ccc45)C3)nc12 77375983 SUOHBQBPDGGDQJ-CYBMUJFWSA-N 332.411 3.527 0 50 EHAA Cc1nccn1CCCC(=O)N1CCCC[C@H]1c1ccc(F)cc1 82083195 JRANAWLOKNQQDU-SFHVURJKSA-N 329.419 3.865 0 50 EHAA Cc1cc(C(=O)N2CCCC[C@H]2CCn2cccn2)ccc1Cl 82086734 CMHJVHDUDMBIFB-INIZCTEOSA-N 331.847 3.930 0 50 EHAA CCn1nc(C(C)C)cc1C(=O)NCc1cccc(OC(F)F)c1 91713486 LLRYAGSEQNYAOY-UHFFFAOYSA-N 337.370 3.558 0 50 EHAA CC(C)c1ccc(NC(=O)N2CCC3(CCC(=O)N(C)C3)CC2)cc1 91830573 SSCNWHWCVDPGLW-UHFFFAOYSA-N 343.471 3.676 0 50 EHAA CC(C)c1noc([C@H]2CCCCN2C(=O)CCCN2CCCCC2)n1 95371204 HHGKNJRVUAFOAW-MRXNPFEDSA-N 348.491 3.513 0 50 EHAA CCc1cccc(OC2CN(C(=O)c3ccc(O)c(Cl)c3)C2)c1 95388920 VICGMNWBDQNJIB-UHFFFAOYSA-N 331.799 3.511 0 50 EHAA COCC1(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CCCC1 97515111 CWGHFXHOIHZNMQ-UHFFFAOYSA-N 332.322 3.666 0 50 EHAA COc1ccc(C2=C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1 100821929 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CC(C)[C@H](NC(=O)c1cccc(=O)[nH]1)c1cccc(C(F)(F)F)c1 225750484 OUIXDHRNITXHFT-HNNXBMFYSA-N 338.329 3.521 0 50 EHAA C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1)OCO2 229797075 PNTXOOBBAAFYRR-CYZMBNFOSA-N 343.345 3.961 0 50 EHAA CCOc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)cc1 239309208 HHQKVUFHCXBCFJ-CWLKWCNXSA-N 343.423 3.717 0 50 EHAA O=C(CCSCc1ccccc1)NCC1(N2CCCC2)CCCC1 243885824 ACPLFSJWAMIVEC-UHFFFAOYSA-N 346.540 3.835 0 50 EHAA C[C@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@H](N(C)C)CC1 252490721 KZQPGAWBYCKPMV-KGLIPLIRSA-N 348.491 3.821 0 50 EHAA O=C(N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CC[C@@H](C(=O)O)C1 263353738 WKDDYLNHPXSGPO-OTWHNJEPSA-N 337.419 3.588 0 50 EHAA Cc1ccc([C@@H]2CCCN2C(=O)c2cc3c(C)nn(C)c3s2)o1 265215165 BRVTURKWEMLGKQ-ZDUSSCGKSA-N 329.425 3.822 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC[C@@H](c2ccccc2F)C1 270772613 MDVVWEHKSGHZBU-SWLSCSKDSA-N 329.419 3.675 0 50 EHAA Cc1cccnc1CNC(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F 296772066 HLSWQKPRULEUCW-STQMWFEESA-N 329.366 3.700 0 50 EHAA CCO[C@@H]1C[C@H](N(C)C(=O)c2c[nH]c3cccnc23)C12CCCCC2 329886139 VRRCKBMBTZVZSB-DLBZAZTESA-N 341.455 3.763 0 50 EHAA COC[C@@H](C)NC(=O)c1ccc(-c2ccc(OC(F)F)cc2)cc1 426387135 SLPMORXKJZPAIG-GFCCVEGCSA-N 335.350 3.720 0 50 EHAA Cc1n[nH]cc1CN(C)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 426431828 LCDAYRSPHJRCKX-ZWKOTPCHSA-N 326.444 3.586 0 50 EHAA O=C(NCc1cccc(Cl)c1)N(CC1CCC1)C[C@H]1CCCO1 426517525 CCOQHUNITKKKLO-QGZVFWFLSA-N 336.863 3.831 0 50 EHAA Cn1cncc1-c1ccc(C(=O)N2CCCC[C@@H]2c2cccnc2)cc1 426621593 IPXCBWLMURDNGZ-LJQANCHMSA-N 346.434 3.850 0 50 EHAA COc1ccc(C)cc1S(=O)(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 499075761 JDDNXRVHXYZHLX-KDOFPFPSSA-N 337.485 3.593 0 50 EHAA O=C(O)[C@@H](C(=O)Nc1cccc(CC(F)(F)F)c1)C1CCCC1 663083118 QLTJDGLSJKTECY-CYBMUJFWSA-N 329.318 3.621 0 50 EHAA Cc1ccc([C@@H](N[C@@H](C)CCO)c2cncc(Br)c2)cc1 863984503 VWEZXIBJWQHZOC-SUMWQHHRSA-N 349.272 3.602 0 50 EHAA Cc1ccc(Nc2cccc(C(=O)N3CC[C@H]3C3CCCC3)c2)nn1 889400905 UBBGGVCOGHPPOB-SFHVURJKSA-N 336.439 3.933 0 50 EHAA O=C(c1ccc(F)c2occc12)N(C[C@@H]1CCCO1)c1ccncc1 932682948 VLAAETNXATUWHG-AWEZNQCLSA-N 340.354 3.793 0 50 EHAA COc1ccc([C@H]2CN(c3ccnc4ccccc34)C[C@@H]2N(C)C)cc1 1565511514 UJHUINGLSXYOFN-KNQAVFIVSA-N 347.462 3.777 0 50 EHAA COc1cccc([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[C@@H]3CCCO3)C2(C)C)c1 1875392169 SLJQOVYGIAZGHF-YRXWBPOGSA-N 343.467 3.605 0 50 EHAA C[C@@H](Oc1cccc(Cl)c1Cl)c1nc([C@H](N)C2CC2)no1 2325705567 IJDHBWLQKGXFKD-JMCQJSRRSA-N 328.199 3.926 0 50 EHAA CCc1cn2c(n1)C[C@@H](C(=O)NCCc1cccc3ccccc13)CC2 2325779506 KMJKERWKMXAEDU-SFHVURJKSA-N 347.462 3.520 0 50 EHAA C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C(N)=O)C1 37390 ASWPAWOLEVHEGA-ZJNQMXKESA-N 340.448 3.624 0 50 EHAA CCc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3)C2=O)cc1 121655 YOJMYGOLKPYDCK-UHFFFAOYSA-N 340.810 3.993 0 50 EHAA Cc1cc(C)n(C[C@@H](O)COc2c(Cl)cc(Cl)cc2Cl)n1 318309 DUVGDCWOSNVLCA-LLVKDONJSA-N 349.645 3.900 0 50 EHAA CSc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 2873703 KXIRTVZQSFBSPG-UHFFFAOYSA-N 327.858 3.540 0 50 EHAA CCCn1c([C@@H](C)NC(=O)c2ccccc2OC)nc2ccccc21 3896670 VEOSHHCZWMYUEZ-CQSZACIVSA-N 337.423 3.946 0 50 EHAA Cc1ccc(-c2nc(C)c(CCNC(=O)c3ccco3)s2)cc1 4347013 OABYTCLDZGDHBE-UHFFFAOYSA-N 326.421 3.992 0 50 EHAA COC(=O)c1ccc(-c2ccc(-c3nc4ccccc4c(=O)[nH]3)o2)cc1 6394959 QKTMPOVJANRADF-UHFFFAOYSA-N 346.342 3.637 0 50 EHAA COc1ccccc1NC(=O)Nc1nnc(Cc2ccccc2)s1 17719769 UQXNHNIIYXJNPR-UHFFFAOYSA-N 340.408 3.782 0 50 EHAA O=C(Nc1cccnc1)c1ccc(CN2CCc3ccccc3C2)cc1 19375398 RVULDOSZJYLBSA-UHFFFAOYSA-N 343.430 3.892 0 50 EHAA CCN(Cc1cnn(C)c1)C(=O)c1c(C)c(C)nc2ccc(C)cc12 20208788 TWNREBZFDQWRJY-UHFFFAOYSA-N 336.439 3.556 0 50 EHAA O=C1OCC2=C1[C@@H](c1ccc(Cl)cc1)CC(=O)N2c1ccccc1 35142763 GNJASXIGFOLMFU-OAHLLOKOSA-N 339.778 3.671 0 50 EHAA CCOc1ccc(C(=O)N(C)CCOc2ccc(C)cc2Cl)o1 55154695 XNGYMEHSHGJJIS-UHFFFAOYSA-N 337.803 3.791 0 50 EHAA CC(=O)NCCn1cnc(-c2ccccc2)c1-c1ccc(C(C)=O)cc1 65453669 XKPXXEZZSYOAQQ-UHFFFAOYSA-N 347.418 3.556 0 50 EHAA Cc1oc(-c2ccccc2Cl)nc1COc1ccc(C(N)=O)cc1 67677228 GPEKVTSNTVUIHO-UHFFFAOYSA-N 342.782 3.981 0 50 EHAA CNC(=O)c1ccc(CN2CCC[C@H](CCc3ccccc3F)C2)o1 72139130 HVROTXWODHMZRS-OAHLLOKOSA-N 344.430 3.623 0 50 EHAA OCc1cccc(-n2ccnc2-c2cnc(C3CCCCC3)nc2)c1 72148162 CMGNJKGSQCDXQZ-UHFFFAOYSA-N 334.423 3.869 0 50 EHAA O=C1NC[C@@]2(CCCN(Cc3ccc(-c4ccccc4)s3)CC2)O1 72167066 UNCMYLIIUNWYDU-IBGZPJMESA-N 342.464 3.880 0 50 EHAA O=C(c1ccc2ncccc2c1)N1CCCN(c2ccc(F)cc2)CC1 82092060 UDXFNOXWYJWOBQ-UHFFFAOYSA-N 349.409 3.726 0 50 EHAA CC(C)c1cc(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)on1 91694855 KTBYNWWVENQNQT-UHFFFAOYSA-N 330.281 3.886 0 50 EHAA CCOc1ccc([C@H](C)NC(=O)c2cc(C(C)C)nn2C)cc1F 91997464 KVRPBIUWASFNAU-LBPRGKRZSA-N 333.407 3.572 0 50 EHAA CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc(Cl)n1 96028531 LTWPYVSBBSMSNR-UHFFFAOYSA-N 329.784 3.807 0 50 EHAA in-vitro NCc1ccc(-c2nc(C3CCOCC3)nn2C2CCCCC2)cc1 97522098 LHQTYCJTZNLQPM-UHFFFAOYSA-N 340.471 3.803 0 50 EHAA Clc1cccc2ccc(CN3CCO[C@@H](c4cccnc4)C3)nc12 97729563 VRWNUGROCTUYSU-GOSISDBHSA-N 339.826 3.857 0 50 EHAA CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)sc2c1CCC2 101706297 SAJLSRCCEAKDQW-GMXVVIOVSA-N 333.453 3.788 0 50 EHAA OCc1ccc(Cl)c(NCc2nnc(-c3ccccc3)s2)c1 121311392 NWDREJJXMMJBGX-UHFFFAOYSA-N 331.828 3.963 0 50 EHAA Cc1ccccc1-c1cc(NC(=O)[C@@H]2OCCc3ccccc32)n(C)n1 123746184 RNCLNTZZJOMAOG-HXUWFJFHSA-N 347.418 3.648 0 50 EHAA Cc1ccc(-c2nc([C@H]3CC(=O)N(C4CCCCC4)C3)no2)cc1 169764623 GPZXMSUWAQKZFJ-HNNXBMFYSA-N 325.412 3.694 0 50 EHAA Cn1ccc(CC(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)n1 181207610 JLSYIMYPWVGNLM-QGZVFWFLSA-N 345.855 3.583 0 50 EHAA c1cc(CN2CCC[C@H](c3ncn[nH]3)C2)cc(OC2CCCC2)c1 215565925 BDHVQGKNDWWYSY-INIZCTEOSA-N 326.444 3.506 0 50 EHAA COc1cc(C)cc(NC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c1C 242339336 ZGYWBRJJWACZIB-WMLDXEAASA-N 342.443 3.624 0 50 EHAA O=C(CCN1CCC[C@@H]1c1ccccn1)Nc1ccc2c(c1)CCC2 244778684 PUVTXTWXQNHCJU-HXUWFJFHSA-N 335.451 3.736 0 50 EHAA O=C(c1ccccc1)[C@@H]1CCCN([C@H]2CCN(c3ccccc3)C2)C1 244811446 SCUUTEDYFUSFSY-CTNGQTDRSA-N 334.463 3.860 0 50 EHAA CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2F)C1 253606309 FUSUFTDUTMLTCZ-PVAVHDDUSA-N 341.430 3.552 0 50 EHAA CN[C@@H](C)Cc1noc(-c2cc(-c3ccc(OC)cc3)c(C)s2)n1 261613683 BCKVQNDUZLXVBF-NSHDSACASA-N 343.452 3.933 0 50 EHAA C[C@@H](C(=O)Nc1ncccc1CN1CCc2ccccc2CC1)C1CC1 368555149 PILMIESRYWWQPI-MRXNPFEDSA-N 349.478 3.667 0 50 EHAA O=C(NC[C@@H](O)CCc1ccccc1)c1c(Cl)cccc1Cl 390834335 WMYMYAWWMMGGGJ-ZDUSSCGKSA-N 338.234 3.717 0 50 EHAA Cc1nnc(CN(C)C(=O)c2ccc(-c3cccc(C)c3C)cc2)o1 426438841 KXSMYFUFOUXGID-UHFFFAOYSA-N 335.407 3.934 0 50 EHAA CC(=O)c1ccc(-c2ccc(C(=O)NCC3CCOCC3)cc2)s1 426477627 UWPLIWQADINXNA-UHFFFAOYSA-N 343.448 3.774 0 50 EHAA O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(-c2cccc3[nH]ccc23)cc1 426547503 BDOASYAHNKFVLZ-PMACEKPBSA-N 334.419 3.868 0 50 EHAA CN(CCC[C@H]1CCCO1)C(=O)c1cc2c(Cl)cccc2n1C 426690257 HRPRJCNXXBBTCV-ZDUSSCGKSA-N 334.847 3.863 0 50 EHAA COCc1cc(NC(=O)c2cccc3ccccc23)cc(C(=O)O)c1 427682885 OWMOWAWGFJYXNG-UHFFFAOYSA-N 335.359 3.937 0 50 EHAA Cc1cc(N2CC[C@@H](c3nc(C)cs3)C2)nc(-c2ccncc2)n1 872735292 ZCKXFFLBWZUUCG-OAHLLOKOSA-N 337.452 3.606 0 50 EHAA Cc1nn(C(C)C)cc1CNc1c(-c2nc3ccccc3[nH]2)cnn1C 888095779 XYGUYSOWRAAWGA-UHFFFAOYSA-N 349.442 3.661 0 50 EHAA CCc1cnc(CN(C)c2nnc(-c3ccc(O)cc3)s2)s1 892785753 WIOYJQOWLOYQMP-UHFFFAOYSA-N 332.454 3.566 0 50 EHAA C[C@H](CCc1cccnc1)NC[C@H]1CCCc2ccc(C(=O)O)cc21 901883589 YZOYTCYRDAATJI-DNVCBOLYSA-N 338.451 3.811 0 50 EHAA c1ccc(-c2cnc(C3CCOCC3)o2)c(OC[C@@H]2CCOC2)c1 904759639 UFFXZTVFHLKAAQ-CQSZACIVSA-N 329.396 3.651 0 50 EHAA COc1ccc(F)cc1CN[C@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952977230 PNYXFZRVRIZIMF-IXERNEQCSA-N 333.447 3.644 0 50 EHAA Cc1cccc(N2CCC(N[C@H](c3nccn3C)C3CC3)CC2)c1C 1506418069 UWYBOKAVKJMBAM-FQEVSTJZSA-N 338.499 3.747 0 50 EHAA O=C(O)CN(Cc1ccccc1)c1cccc(OC(F)(F)F)c1 1857783659 KZXNRSJKLUETDN-UHFFFAOYSA-N 325.286 3.676 0 50 EHAA CCOc1ccc2oc(C(=O)N3CC[C@@](C)(COC)C3)c(C)c2c1 1875265668 JZFZLRSQBWTPFT-LJQANCHMSA-N 331.412 3.639 0 50 EHAA O=C(O)[C@H]1C[N@@]1C(c1ccccc1)(c1ccccc1)c1ccccc1 1904257263 BXSIPZGNIBVSLK-NFBKMPQASA-N 329.399 3.747 0 50 EHAA COc1ccncc1CC(=O)N1CCC[C@H]1c1cccc(Cl)c1 2325758234 CYOBEYXDZSVUMR-INIZCTEOSA-N 330.815 3.650 0 50 EHAA Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1cccc(/C=C/C(=O)O)c1 267429 LANYIAFGUJOXJZ-VAWYXSNFSA-N 346.386 3.614 0 50 EHAA CCCC1=NN(C(=O)c2ccccc2Cl)[C@](O)(C(F)(F)F)C1 447156 GVTXDSJXAWTBIF-CYBMUJFWSA-N 334.725 3.593 0 50 EHAA Cc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1F 1170092 YNAYOSSKKMBYLA-UHFFFAOYSA-N 333.160 3.596 0 50 EHAA C[C@H](CCc1ccccc1)NS(=O)(=O)Cc1ccc(Cl)cc1 2876500 HYFYJVUMWCYCAE-CQSZACIVSA-N 337.872 3.781 0 50 EHAA CC1(C)CC(NC(=O)COc2cccc3ccccc23)CC(C)(C)N1 4704972 ISUXBFQICGGYBA-UHFFFAOYSA-N 340.467 3.644 0 50 EHAA O=C(NCCc1ccccc1)[C@@]1(c2ccccc2)CC1(Cl)Cl 4955982 MRHIZGABXJUOFN-KRWDZBQOSA-N 334.246 3.861 0 50 EHAA C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 5028118 AJXZRCXJXZGCBL-JHMRYYBSSA-N 341.451 3.851 0 50 EHAA CN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(F)cc1 5422819 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CC(C)c1cnc(NC(=O)N2CCC(O)(c3ccccc3)CC2)s1 192393868 KUAYMIIXZMGMHM-UHFFFAOYSA-N 345.468 3.782 0 50 EHAA C[C@H](c1ccccn1)N(C)C(=O)c1cc2c(OC(F)F)cccc2[nH]1 195101576 JWYJIOCZXQJJKT-LLVKDONJSA-N 345.349 3.998 0 50 EHAA c1ccc(C[C@@H]2CC[C@H](N[C@@H](c3cccnc3)c3ncc[nH]3)C2)cc1 195126132 SLQKEOXTHUTSDC-IHPCNDPISA-N 332.451 3.895 0 50 EHAA O=C(OCc1ccccc1)N1CCCc2c(Cl)nc(Cl)nc21 215771100 RJBGTWTYOSAAOL-UHFFFAOYSA-N 338.194 3.873 0 50 EHAA Cc1cccc(-c2[nH]ncc2CN2CCCN2C(=O)OC(C)(C)C)c1 225417930 OAFZRTNDKHVHQN-UHFFFAOYSA-N 342.443 3.743 0 50 EHAA COc1ccc2oc([C@H](C)NC(=O)c3ccc(C(=O)O)o3)c(C)c2c1 237322245 SZURJDLQRYPTAA-JTQLQIEISA-N 343.335 3.532 0 50 EHAA Cc1nc(CC(=O)N2CCCC[C@H]2CCc2ccccn2)c(C)s1 244734850 NMXWPWDWSYFFNG-KRWDZBQOSA-N 343.496 3.711 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccc(C)s3)C2)c1 247852969 WKCLDLFWQQCOBB-OAGGEKHMSA-N 329.469 3.529 0 50 EHAA O=C([C@H]1C[C@@H]1c1cccnc1)N(Cc1ccsc1)c1cccnc1 253431938 IJQLBPWAPGJRNA-MSOLQXFVSA-N 335.432 3.875 0 50 EHAA 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CC(C)c1cc(NC(=O)c2ccc3c(c2)N(C)CCO3)n(C(C)C)n1 952845814 ZSZGAPRKBAYDDV-UHFFFAOYSA-N 342.443 3.668 0 50 EHAA Cc1ncsc1CN(C)C(=O)c1cnc(Cl)cc1C(F)(F)F 952883573 NSNIXPMIUVZSAH-UHFFFAOYSA-N 349.765 3.791 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)COc2ccc(F)cc2F)c(C)c1 952963190 IWRXESXMRQHEDL-UHFFFAOYSA-N 348.349 3.639 0 50 EHAA O=C(c1nc2c(s1)CCCC2)N1CCCC[C@@H]1c1ccccn1 952968378 CAZZEPCHVWGGTR-OAHLLOKOSA-N 327.453 3.784 0 50 EHAA O=C(C[C@H](c1ccccc1)c1ccco1)NCCN1CCCCCC1 952985048 AMDAPUHRWZMFBT-LJQANCHMSA-N 340.467 3.794 0 50 EHAA C[C@@H](NCc1cccc(N(C)C)c1)c1cc(Br)ccn1 952992733 AAHGRGAWAOFPEH-GFCCVEGCSA-N 334.261 3.761 0 50 EHAA CC(=O)c1cc(CN2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)n(C)c1 1704280431 CLEJOYHTAJENDX-LEWJYISDSA-N 338.451 3.580 0 50 EHAA Cc1ccc(-c2nccn2[C@@H]2c3ccccc3C[C@H]2O)c2cccnc12 1857670348 IXDCFXOBIOZCRU-TZIWHRDSSA-N 341.414 3.913 0 50 EHAA O=C(C[C@H]1CCCc2ccccc21)NC12CCC(C(=O)O)(CC1)CC2 1875304399 JHSJGQFUYALQGC-YMTQGWHGSA-N 341.451 3.790 0 50 EHAA 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EHAA Cc1cc(C[C@@H](C)NC(=O)N2CCCCC[C@H]2c2ccc(C)o2)n[nH]1 158206952 DZDSKKIZZUHQSS-DYVFJYSZSA-N 344.459 3.877 0 50 EHAA O=C(Nc1cnccc1-c1cccc(F)c1)[C@@H]1Cc2ccccc2O1 177528873 HBEBUQWDCSIHGV-IBGZPJMESA-N 334.350 3.830 0 50 EHAA CC(C)C(=O)c1cnccc1NC(=O)CCc1ncc(C(C)(C)C)o1 193897630 UGOVPXIMMSPPKA-UHFFFAOYSA-N 343.427 3.777 0 50 EHAA Cc1nc(CN2CCC(CNC[C@H](C)c3ccccc3)CC2)oc1C 194380454 IHSQDMYWDFFMMP-INIZCTEOSA-N 341.499 3.897 0 50 EHAA CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3SCCS[C@@H]32)C12CCCC2 241720866 QSWUUCNZMSALJN-LYYZXLFJSA-N 327.559 3.693 0 50 EHAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 248139990 PWVYSPKVLPAUFT-WOJBJXKFSA-N 339.483 3.576 0 50 EHAA Cc1ccccc1C1CC(N(C(=O)[C@H]2CC23CCNCC3)C2CC2)C1 261987007 XLNCOCNKPXVFDM-OUNSHVDWSA-N 338.495 3.622 0 50 EHAA O=C(NCCCCCc1nc2ccccc2[nH]1)NC1CCCCC1 263588243 QTECUJBNQWBFFR-UHFFFAOYSA-N 328.460 3.908 0 50 EHAA Cc1nc(-c2ccncc2)nc(N2CCO[C@H](c3ccccc3)C2)c1C 264435121 RGEXMYRFZMIRSB-IBGZPJMESA-N 346.434 3.733 0 50 EHAA C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)CCOCc1ccccc1 285549034 OPYLMBNIMTYDRX-SBHAEUEKSA-N 345.483 3.526 0 50 EHAA CCc1nc(C(C)C)ccc1C(=O)NC[C@@H](C)c1c(C)noc1C 293705395 YIOBBOUNVNFBIX-GFCCVEGCSA-N 329.444 3.906 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ncc(-c2ccc(F)cc2)o1 299743276 MWHSQLHZWGXSFM-BMFZPTHFSA-N 344.386 3.698 0 50 EHAA CCCCOc1ccc(NC(=O)N2CCC[C@H]2Cn2cccn2)cc1 299795833 MGGPOXXHPZSWBL-KRWDZBQOSA-N 342.443 3.759 0 50 EHAA Cc1nnc(N(CCC(C)C)C(=O)[C@@H]2CO[C@H](C)C2)c2ccccc12 331987205 UGENTOMVEVKJGR-ZBFHGGJFSA-N 341.455 3.742 0 50 EHAA CN(CCC[C@@H]1CCCO1)C(=O)NCCCn1ccc2ccccc21 426431459 YFKPPYKPNCLADO-GOSISDBHSA-N 343.471 3.632 0 50 EHAA CCC(=O)c1ccc(-c2cccc(C(=O)NCC3(C)COC3)c2)cc1 426519311 SOPVLLGELVRWIR-UHFFFAOYSA-N 337.419 3.713 0 50 EHAA C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1cccc(N2CCOCC2)c1 427896768 WHYJQBWRKRTLJM-HOTGVXAUSA-N 340.471 3.864 0 50 EHAA C[C@H](Nc1cnn([C@H](C)C2CC2)c1)c1cccc(N2CCOCC2)c1 427896770 WHYJQBWRKRTLJM-JKSUJKDBSA-N 340.471 3.864 0 50 EHAA Cc1nc(CNC2(c3ccc(OC(F)(F)F)cc3)CC2)oc1C 451147626 NRQJPDOYJXPQIQ-UHFFFAOYSA-N 326.318 3.969 0 50 EHAA C[C@H]1Cc2cc(NC(=O)CCc3nc4ccc(F)cc4[nH]3)ccc2O1 828059963 CZLMTTFZZKLGAX-NSHDSACASA-N 339.370 3.597 0 50 EHAA Cc1ccc(-c2nc(CCNC(=O)c3cncc(Cl)c3)co2)cc1 1292521697 KXVGJQOBJHPBIQ-UHFFFAOYSA-N 341.798 3.671 0 50 EHAA CC(C)c1noc([C@@H]2CCCN2c2noc(-c3ccccc3)n2)n1 1529167361 KRSOYQKBJUXFHE-ZDUSSCGKSA-N 325.372 3.585 0 50 EHAA O=C1NCCc2ccc(-n3ccnc3-c3ccc(Cl)cc3F)cc21 1772811869 ZURMROSAVVDIKA-UHFFFAOYSA-N 341.773 3.618 0 50 EHAA O=C(N[C@H]1CCCCCC[C@@H]1O)c1csc(-c2cccs2)n1 1857702686 GYWCGVIUXXSYDF-AAEUAGOBSA-N 336.482 3.685 0 50 EHAA O=C1Nc2ccccc2S(=O)(=O)N1Cc1cc2ccccc2s1 1875259881 FNWRCBLPLVKPKT-UHFFFAOYSA-N 344.417 3.638 0 50 EHAA CCC(CC)[C@H]1CCN([C@H](C(=O)O)c2cc(OC)cc(OC)c2)C1 1875266857 IYNXCPIHHHKJPJ-KSSFIOAISA-N 335.444 3.588 0 50 EHAA Cn1cc([C@H](N[C@H]2CCCc3ncccc32)c2cccc(F)c2)cn1 2325773956 HWGLNHWHKYFRFE-VQTJNVASSA-N 336.414 3.711 0 50 EHAA COc1ccc2c(c1)CCC[C@H]2C(=O)OCc1cncc(Cl)c1 2325855037 FPYNKPRSKBZKBA-QGZVFWFLSA-N 331.799 3.907 0 50 EHAA O=C(O[C@H]1CCC[C@@H]1OCc1ccccc1)c1cccc2cncn12 2325855574 GQAOUDWVMVOATP-OALUTQOASA-N 336.391 3.629 0 50 EHAA CCCN1CCC[C@]2(CCCN2Cc2ccc(C)c(F)c2F)C1=O 2356139659 HDKICKJJAHQQMA-IBGZPJMESA-N 336.426 3.640 0 50 EHAA COC(=O)c1ccc(CSCC(=O)Nc2ccc(Cl)cc2)cc1 148699 BUCUKVSDHFKHCW-UHFFFAOYSA-N 349.839 3.999 0 50 EHAA O=C(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1 271382 CIYATIJQZQNXPN-RMKNXTFCSA-N 342.826 3.829 0 50 EHAA CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC)cc2)cc1 313753 IXQZZXKAOWCVMM-AWNIVKPZSA-N 325.364 3.524 0 50 EHAA O=C1C[C@H](c2ccc(F)cc2)SC(N2CCc3ccccc32)=N1 616512 YGOBXIKHCPUHOB-MRXNPFEDSA-N 326.396 3.949 0 50 EHAA CCOC(=O)C1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 618231 VANZSXIWBRYRDF-UHFFFAOYSA-N 337.419 3.769 0 50 EHAA C[C@@H](Sc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)C(=O)O 2798538 FJSPJFPEEQZYCN-SSDOTTSWSA-N 346.305 3.867 0 50 EHAA CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C)C1 2883511 GKKSELFQIXMYTE-AWEZNQCLSA-N 339.501 3.938 0 50 EHAA CCOC(=O)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 3892449 YFLUSQIYDABCMZ-UHFFFAOYSA-N 338.359 3.710 0 50 EHAA biogenic Cc1ccc(C[C@H](CC(=O)O)C(=O)Nc2cc(C)ccc2C)cc1 4756052 USFQIVBCTNVHKY-QGZVFWFLSA-N 325.408 3.884 0 50 EHAA C[C@@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@H](c2cccs2)CC3=O)C1 4777124 FGTUXGVFIXSKCP-MCIONIFRSA-N 341.480 3.933 0 50 EHAA O=C(COc1ccc(F)cc1F)Nc1ccc(OC(F)(F)F)cc1 4840267 CYWXTCCAPHOQQY-UHFFFAOYSA-N 347.239 3.881 0 50 EHAA CC(C)(C)[C@H](O)/C(=C\c1ccc(Cl)cc1Cl)n1cncn1 5353908 FBOUIAKEJMZPQG-YGLIYXGISA-N 326.227 3.990 0 50 EHAA in-vitro Cc1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 5745253 SHDSIJZVFOMOQM-UHFFFAOYSA-N 349.253 3.884 0 50 EHAA Clc1ccccc1Cn1ncc2c(NC3CCCC3)ncnc21 6764216 OGSQQOFJPACXRO-UHFFFAOYSA-N 327.819 3.883 0 50 EHAA Cc1cnnn1-c1ccc(C(=O)Nc2cccc3ccccc23)cc1 9764019 PURXPVVEORTBPB-UHFFFAOYSA-N 328.375 3.981 0 50 EHAA CCC(=O)NC[C@@H](C)Oc1cccc(CN(C)Cc2ccsc2)c1 12332844 AHNHHVWKJODVRR-OAHLLOKOSA-N 346.496 3.674 0 50 EHAA O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)C1CCC1 12343564 DLOOVFTWTNZIDM-UHFFFAOYSA-N 346.496 3.992 0 50 EHAA CC(C)(C)c1cc(NC(=O)Cc2ccc(Br)cc2)no1 12381593 OFFLZBPHSHRZGU-UHFFFAOYSA-N 337.217 3.916 0 50 EHAA COc1ccc(-c2[nH]c3ccccc3c2C(=O)O)c(OC)c1OC 34792414 SKIQDPCJMFTBLL-UHFFFAOYSA-N 327.336 3.559 0 50 EHAA in-vitro CCN(Cc1ccccc1)C(=O)CCN1CCC[C@@H]1c1ccccn1 65455825 BSHLAEORTRDTCQ-HXUWFJFHSA-N 337.467 3.657 0 50 EHAA CCOCCn1cnc(-c2ccccc2)c1-c1ccccc1C(=O)O 65492381 WGCKHIQXKMTNOC-UHFFFAOYSA-N 336.391 3.952 0 50 EHAA COc1ccc2[nH]c(CNC3CCC4(CCNCC4)CC3)cc2c1 67650471 RJTGOIFJIICLTM-UHFFFAOYSA-N 327.472 3.579 0 50 EHAA Cc1nc(N2Cc3cnc(CC(C)C)nc3C2)c2ccsc2n1 67973789 AZDACSFJPQBPKI-UHFFFAOYSA-N 325.441 3.508 0 50 EHAA Cc1ccc(F)c(OCc2nc(COc3ccccc3)no2)c1F 72154203 RBNNUZLCVLSKFY-UHFFFAOYSA-N 332.306 3.814 0 50 EHAA Cc1cccc(-c2n[nH]cc2C(=O)N2CCC(c3ccncc3)CC2)c1 72453665 OVDSYUZONVWVQU-UHFFFAOYSA-N 346.434 3.800 0 50 EHAA CCCCCc1ccc(-c2nccc(N3CC[C@H](O)C3)n2)c(F)c1F 97729555 PJWRXYSBBFLQOA-AWEZNQCLSA-N 347.409 3.726 0 50 EHAA O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H]2C=C[C@H]1C2 100627722 CQAKHYZWTCUJJW-LSOMNZGLSA-N 349.386 3.940 0 50 EHAA CCN(Cc1ccc(Cl)s1)C(=O)Cc1c[nH]c2ncccc12 155285879 OHDOBRGCJJGMMT-UHFFFAOYSA-N 333.844 3.869 0 50 EHAA O=C(c1cccs1)N1N=C(c2ccncc2)C[C@@H]1c1cccc(O)c1 170620261 OSNBPJNWMQCIOR-QGZVFWFLSA-N 349.415 3.840 0 50 EHAA FC(F)Oc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1 186450265 FQXCYGJANJOTMH-IBGZPJMESA-N 331.362 3.919 0 50 EHAA Cc1ccc(C)c(OC2CCN(C(=O)Cc3ccncc3C)CC2)c1 188275331 SVKFESALFGASPK-UHFFFAOYSA-N 338.451 3.619 0 50 EHAA CC[C@H](C)[C@H](C(=O)N1CCC[C@@H](c2nc(C)no2)C1)c1ccccc1 229290833 JVBGUXZQBVMGTD-QGTPRVQTSA-N 341.455 3.914 0 50 EHAA Cc1ccc2c(CC(=O)N[C@@H](C(=O)O)c3ccccc3)coc2c1C 237874561 UDVYCIPMLOHBRP-GOSISDBHSA-N 337.375 3.534 0 50 EHAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCC(=O)Nc1ccc(Cl)cc1 239174368 PXIWPEURHUDWMQ-DVOMOZLQSA-N 336.863 4.000 0 50 EHAA Cc1ccc2c(c1)[C@@H]1CCC[C@@H]3[C@H]1N2CC(=O)N3Cc1ccccc1 239386687 PZJPBWRMOCJEBR-WEYGHZABSA-N 332.447 3.862 0 50 EHAA C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@H]1c1ccsc1 241124175 JGCWLSWSWIYKPC-KSSFIOAISA-N 326.465 3.863 0 50 EHAA CN(C)C(=O)Nc1cccc(C(=O)NCc2ccc(C3CC3)cc2)c1 241126079 JJIFBKBBWOWIAJ-UHFFFAOYSA-N 337.423 3.588 0 50 EHAA CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)c1ncon1 242302097 YPNNXYZILAHQPS-CMPLNLGQSA-N 341.333 3.535 0 50 EHAA CO[C@H]1CC[C@H](NC(=O)C[C@@H](c2ccccc2)c2ccco2)CC1 244659726 HHVJBXFNMGSLOD-BZSNNMDCSA-N 327.424 3.875 0 50 EHAA Cc1ccoc1C(=O)N[C@H](c1cncc(Br)c1)C1CC1 252503879 VGXRRYJUVPKIHX-ZDUSSCGKSA-N 335.201 3.627 0 50 EHAA C[C@@H](N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1ccc(S(C)(=O)=O)cc1 253393877 BYDHBVUQHBYYKQ-HAYUQVRISA-N 335.513 3.956 0 50 EHAA C[C@H](Sc1ccccc1)C(=O)Nc1ccc(-c2ncon2)cc1 339199504 AOLUJAKNNPGYEY-LBPRGKRZSA-N 325.393 3.856 0 50 EHAA C[C@@H](Nc1ncnc2c1cnn2C)c1ccc(Oc2cccnc2)cc1 340768099 AXBDVDKISJSHFW-CYBMUJFWSA-N 346.394 3.724 0 50 EHAA Cc1cccc(C(=O)N2CC(OCc3cccc4ccccc34)C2)n1 343570623 NLMJTTYVSQTFKO-UHFFFAOYSA-N 332.403 3.584 0 50 EHAA Cc1csc([C@H]2CN(c3ncc(Cl)cc3Cl)CCO2)n1 376571034 NQUJZIMPJIKCOV-LLVKDONJSA-N 330.240 3.731 0 50 EHAA CCc1ccc2occ(C(=O)N3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)c2c1 408519928 TWDAAHIBVNVDOJ-QGTPRVQTSA-N 327.424 3.761 0 50 EHAA Cc1ccc(C)c(-n2ncc([C@@H](C)NC[C@@]3(C)CCCNC3)c2C)c1 423321603 GOUVTWMBAVXHTR-UTKZUKDTSA-N 340.515 3.838 0 50 EHAA O=C(NC[C@@H]1CCCOC1)c1cccc(-c2ccc3c(c2)CCC3=O)c1 426691347 VHSKRUZZZXKOPC-HNNXBMFYSA-N 349.430 3.639 0 50 EHAA CC[C@](C)(CCNC(=O)c1ccncc1F)c1ccccc1OC 534578228 GUADNNZRVCXGQU-LJQANCHMSA-N 330.403 3.717 0 50 EHAA O=C(O)[C@H](c1ccsc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 652386877 POBBMJWAUTZISG-WBMJQRKESA-N 342.420 3.895 0 50 EHAA C[C@@H](NC[C@@H]1CC2(CCNCC2)CO1)c1ccc(F)c2ccccc12 873294679 XXYGGCNQTUNICZ-CVEARBPZSA-N 342.458 3.788 0 50 EHAA Cc1nnc(SCCNCc2ccc([C@H]3CCCCO3)o2)s1 952868884 IPTMWGAUDFFRMX-CYBMUJFWSA-N 339.486 3.563 0 50 EHAA COc1ccc(/C=C/CN(Cc2c(C)nn(C)c2C)C2CC2)cc1 952990427 QJILCGDKHTUWOW-AATRIKPKSA-N 325.456 3.723 0 50 EHAA COC(=O)c1cc(=O)c2ccccc2n1CCSc1ccccc1 1875261155 GOKWKNFQAUDIOX-UHFFFAOYSA-N 339.416 3.580 0 50 EHAA NC[C@H]1CCCc2ccc(C(=O)N[C@H](Cc3ccccc3)C3CC3)cc21 1875356674 QAFGIGNLIZZPEH-IFMALSPDSA-N 348.490 3.816 0 50 EHAA CC(C)(C)c1ccc(OC[C@H]2C[N@@]2CC2CC2)c(-n2cccn2)c1 1875384054 CBLGUVMUJPEJTL-VGOFRKELSA-N 325.456 3.643 0 50 EHAA CC[C@H](C)N(CC(=O)O)Cc1[nH]c2ccccc2c1Br 2325787507 DRCQYOCVFMDOJS-JTQLQIEISA-N 339.233 3.616 0 50 EHAA N[C@H]1CCN(Cc2cc(-c3ccco3)on2)c2ccc(Cl)cc21 2325860049 VVPNJCKDWOOIEZ-AWEZNQCLSA-N 329.787 3.998 0 50 EHAA O=C(N[C@H]1CC[C@@H](C(=O)O)CC1)C1(c2ccc(Cl)cc2)CCC1 2356145632 GFBSIOBWDOFBQL-JNSHFYNHSA-N 335.831 3.521 0 50 EHAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cccc(Cl)c3)C1)CC2 2356153469 ILKMVPLZQKUWCP-LJQANCHMSA-N 341.842 3.559 0 50 EHAA O=C1NCCC[C@]12CCCN2Cc1ccc(Oc2ccccc2)cc1 2356167812 DAYFXYUATAUXQD-NRFANRHFSA-N 336.435 3.724 0 50 EHAA Cc1ccccc1C(=O)N1N=C2CCCCC[C@H]2[C@]1(O)C(F)(F)F 274632 FZMCVHAGTHYPBR-CJNGLKHVSA-N 340.345 3.638 0 50 EHAA Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)o1 473778 YZOPBVAEJMIPEE-UHFFFAOYSA-N 332.425 3.660 0 50 EHAA CC(C)NC(=O)COc1ccc(C(C)(C)C)cc1Br 514716 NYGLYMVDGNVLQK-UHFFFAOYSA-N 328.250 3.650 0 50 EHAA O=C(CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 732283 LOGRIWROHCTKKW-UHFFFAOYSA-N 326.776 3.526 0 50 EHAA O=C(C[C@@](O)(c1ccccc1)C(F)(F)C(F)F)c1ccccc1O 4956541 XFSAOYUPNZIHCB-MRXNPFEDSA-N 342.288 3.753 0 50 EHAA CC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccc(Cl)cc1 8778993 LIZNJWYWWZLUCB-LBPRGKRZSA-N 327.815 3.935 0 50 EHAA O=C(NCc1cccc2[nH]ccc12)[C@H]1CC(CCc2ccccc2)=NO1 12150493 JKYJWXAZDTZJCR-HXUWFJFHSA-N 347.418 3.562 0 50 EHAA CCCCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl 16649834 WHDHPUBRXGHHSC-UHFFFAOYSA-N 340.832 3.715 0 50 EHAA CC1(C)OC[C@H]([C@H](Sc2ccccc2)C2C(=O)CCCCC2=O)O1 43763385 LFVUAHLBIFZMBT-AEFFLSMTSA-N 348.464 3.627 0 50 EHAA Fc1ccc(Cl)c(-c2nnc3sc(-c4ccncc4)nn23)c1 49547109 WYZWUIOFSBFSLU-UHFFFAOYSA-N 331.763 3.707 0 50 EHAA Cc1cccc2c(C(=O)N3CCCCCC3)cc(-c3cnn(C)c3)nc12 63869204 UGGHJSMNGPSUMG-UHFFFAOYSA-N 348.450 3.960 0 50 EHAA CC(=O)N1CCCC[C@H]1C1=CCCN(CCSc2ccccc2)C1 65397697 QTRYGUGNMDETSI-FQEVSTJZSA-N 344.524 3.812 0 50 EHAA C[C@H]1CC(=O)c2cc(C(=O)Nc3cccc4ccccc34)c(=O)[nH]c2C1 67630577 ZBGWMKWXIYIKAC-GFCCVEGCSA-N 346.386 3.545 0 50 EHAA Clc1cc(N2CCC[C@H](OCc3cccnc3)C2)nc2[nH]ccc12 72127305 YTTQFNMMNMQLST-AWEZNQCLSA-N 342.830 3.797 0 50 EHAA O=C(CCc1ccncc1)N1CCCC[C@@H]1CCc1cccc(O)c1 82156469 SHOUFCKWWHLEPL-LJQANCHMSA-N 338.451 3.734 0 50 EHAA Cc1csc(CCCNC(=O)c2ccc3cccc(F)c3n2)n1 91435113 WDYQGRDSSGRHEY-UHFFFAOYSA-N 329.400 3.501 0 50 EHAA O=C1CC2(CCN(C3CCCC3)CC2)CN1Cc1cc(F)cc(F)c1 91441061 OEIANFPMROAZLL-UHFFFAOYSA-N 348.437 3.722 0 50 EHAA CCC[C@H]1CN(C(=O)c2ccccc2Cc2ccc(C)cc2)C[C@@H]1N 91536923 BODXBNHZLXIBPX-FPOVZHCZSA-N 336.479 3.785 0 50 EHAA NC[C@@H]1CCN(Cc2ccccc2OCc2c(F)cccc2Cl)C1 97815038 WPPZWTXUEIRTSE-AWEZNQCLSA-N 348.849 3.839 0 50 EHAA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2cccc(Cl)c2Cl)C1 100462132 QEEIYTFWZSCOSS-JSGCOSHPSA-N 349.261 3.774 0 50 EHAA O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)Nc1ccccc1 118457810 RBRZZYKAYNKABQ-AWEZNQCLSA-N 325.195 3.849 0 50 EHAA CCO[C@H]1C[C@H](N(C)c2nn3cc(C(C)(C)C)nc3s2)C1(C)C 170637133 REPQAJKHSJLPQR-STQMWFEESA-N 336.505 3.728 0 50 EHAA Cc1ncsc1CN(C)C[C@@H]1CCN(CCc2ccccc2F)C1 190466264 IGVQMFFSFSTFNI-INIZCTEOSA-N 347.503 3.587 0 50 EHAA Fc1cc(Br)cc(OCc2noc(C3CC3)n2)c1F 195210887 QOGNALVWTFJDPQ-UHFFFAOYSA-N 331.116 3.567 0 50 EHAA COc1ccc(-n2nnnc2S[C@H](C)c2ccccc2OC)cc1 225794066 UDNINMNDFFFUGP-GFCCVEGCSA-N 342.424 3.533 0 50 EHAA CCCCN(C)c1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1 241564190 OSBNNCCSBRJLQU-PXNSSMCTSA-N 343.515 3.622 0 50 EHAA Cc1ccc(C)n1CC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 253414926 ZBULGRBDAKYEAK-SFHVURJKSA-N 336.439 3.735 0 50 EHAA Cc1n[nH]cc1CNC(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C 274677423 ZENCSVCYJAILIM-LBPRGKRZSA-N 335.477 3.509 0 50 EHAA CC(C)[C@H]1C[C@H](CC(=O)Nc2c[nH]nc2-c2ccccc2F)CCO1 283935548 YYTFUZHTGGCTLL-CXAGYDPISA-N 345.418 3.996 0 50 EHAA O=C(c1ccc(Br)o1)N1CCC(c2nccs2)CC1 377508424 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EHAA C[C@H](NCCc1ccc(F)c(F)c1)c1cccc(N2CCOC2=O)c1 181329212 FSDIJGQMAHHPET-ZDUSSCGKSA-N 346.377 3.815 0 50 EHAA C[C@H](CNC(=O)N[C@@H]1CC(C)(C)c2ccccc21)c1nccs1 184269367 KSDMUONUEKLXJJ-IUODEOHRSA-N 329.469 3.968 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 185812104 CFBXTECGRFUCEG-WBVHZDCISA-N 341.411 3.902 0 50 EHAA Cc1cc(F)c(C(=O)Nc2ccc(C[C@H](C)C(=O)O)cc2)cc1F 191410289 VLQCUJXTMIORAM-NSHDSACASA-N 333.334 3.789 0 50 EHAA O=C([C@@H]1CSCCS1)N(Cc1ccsc1)c1cccnc1 193505647 BTSAPZQDMFLVQP-AWEZNQCLSA-N 336.507 3.525 0 50 EHAA CCCCC1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 196210993 PVOMKYBSCRQMHQ-VJFUWPCTSA-N 331.456 3.795 0 50 EHAA CC[C@@H](COC(=O)c1ccccc1C)NC(=O)c1ccccc1C 214076567 ILUGRGVRDPVYKS-INIZCTEOSA-N 325.408 3.669 0 50 EHAA C[C@@H](CCn1cccn1)NC(=O)c1ccccc1Oc1ccccc1 219891810 MGVSWVYNIKMIKT-INIZCTEOSA-N 335.407 3.884 0 50 EHAA CN(C)C(=O)Sc1ccc(NC(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 225419971 NASXKEKUIUCRLK-GVARAGBVSA-N 330.453 3.691 0 50 EHAA 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C[C@H]1CCc2nc(NC(=O)COc3ccc(Cl)cc3)sc2C1 567843 TYQHZBNOXPJRLW-JTQLQIEISA-N 336.844 3.939 0 50 EHAA CCOc1ccc([C@@H](C)NC(=O)Nc2ccc(OC)cc2OC)cc1 610420 NLOSSVVPZGSELX-CYBMUJFWSA-N 344.411 3.985 0 50 EHAA COC(=O)c1cccc(NC(=O)CCCOc2cc(C)ccc2C)c1 1779270 BDEZNZSQOYRIAQ-UHFFFAOYSA-N 341.407 3.888 0 50 EHAA Cc1cc(=O)oc2cc(NC(=S)N3CCc4ccccc43)ccc12 6399683 ROCMXCPYPLMVPK-UHFFFAOYSA-N 336.416 3.861 0 50 EHAA O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1COc2ccccc2O1 9087652 VSRKEERIZWSZLP-INIZCTEOSA-N 338.388 3.589 0 50 EHAA CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC)c(OC)c1 14399566 CJZCCYLWCXADTR-INIZCTEOSA-N 345.395 3.509 0 50 EHAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)C(C)C)O2 14989210 KJSJJVJDTZUNEC-QGZVFWFLSA-N 337.419 3.632 0 50 EHAA COc1cc(-c2nccn2Cc2ccsc2)cc(OC)c1OC 67769892 DONJGDFMHTVDIT-UHFFFAOYSA-N 330.409 3.686 0 50 EHAA Cc1ccccc1-c1nc(COc2ccc(CC(N)=O)cc2)c(C)o1 67805922 CBDQYYXNRSYDQB-UHFFFAOYSA-N 336.391 3.565 0 50 EHAA O=C([C@@H]1CC12CCC2)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67884194 HWIWVSBNJPHFCU-IBGZPJMESA-N 349.478 3.897 0 50 EHAA CCc1nnc(CN(Cc2nc3ccc(C)c(C)c3[nH]2)C(C)C)o1 67982967 XSLHUUMTMSQNDT-UHFFFAOYSA-N 327.432 3.536 0 50 EHAA CCc1ccc([C@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1 72442191 VPHOERZWHRFRSJ-INIZCTEOSA-N 338.451 3.577 0 50 EHAA Cc1ccc(C[C@@H]2CC(=O)N(c3nc4ccccc4s3)C2=O)cc1 85819464 CBAHABABKQPLCY-CQSZACIVSA-N 336.416 3.727 0 50 EHAA CN(C)Cc1csc(-c2cn(Cc3ccccc3Cl)nn2)c1 91779665 JABVROYGPOKXNO-UHFFFAOYSA-N 332.860 3.770 0 50 EHAA Cc1cc(C)nc(CN(C)C(=O)c2cnc(Nc3ccccc3)nc2)c1 96153693 HICJPVOCXVGHGE-UHFFFAOYSA-N 347.422 3.504 0 50 EHAA O=C1/C(=C/N2CCCCC2)c2ccccc2C(=O)N1c1ccccc1 100515386 CTMPEXQOMNEMJS-XDJHFCHBSA-N 332.403 3.700 0 50 EHAA O=C(c1ccccc1OC1CCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 121618852 CGJTVVDNQMGCOV-HRAATJIYSA-N 343.467 3.775 0 50 EHAA C=CC(=O)NCc1ccc(C(=O)N(C)C2CCCCCCC2)cc1 123773297 ZRGZXTQBBDHBGH-UHFFFAOYSA-N 328.456 3.674 0 50 EHAA O[C@@H](Cn1nccc1-c1cccnc1)c1ccc(OC(F)(F)F)cc1 152247113 JKMHLJLPVLLNMH-INIZCTEOSA-N 349.312 3.577 0 50 EHAA CCc1ccc(C(=O)N2CCC(Cc3nc(C(C)C)no3)CC2)cc1 169754800 GKYNNHNXTBSJCP-UHFFFAOYSA-N 341.455 3.850 0 50 EHAA Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCSCC[C@@H]1C 170611117 HNIINYSYSBPFPK-QWHCGFSZSA-N 338.521 3.545 0 50 EHAA COc1cccc(CNC(=O)N2CCCC[C@@H]2c2ccc(C)cc2)n1 174470886 DEVVGZSIPVFDGK-GOSISDBHSA-N 339.439 3.835 0 50 EHAA COc1cnccc1[C@@H](C)NC(=O)N(Cc1cccs1)C1CC1 187505938 VDXDQSZTJMQJMT-GFCCVEGCSA-N 331.441 3.587 0 50 EHAA O=C(Nc1cccc(-c2ncco2)c1)N1CCC([C@H]2CCCO2)CC1 190328861 ZVJNEKQREIYGQD-QGZVFWFLSA-N 341.411 3.765 0 50 EHAA C[C@@H]1CN(C(=O)c2sc3cc(Cl)ccc3c2Cl)C[C@H]1CO 191829268 DWKBXNPYOCFARA-BDAKNGLRSA-N 344.263 3.909 0 50 EHAA O=C(c1ccc(Cl)cc1F)N1CCC(OCc2ccccn2)CC1 222780084 MTWDUTXVRKNVMD-UHFFFAOYSA-N 348.805 3.696 0 50 EHAA Fc1ccccc1C1CC(NC[C@H]2CCN(CC(F)(F)F)C2)C1 237810139 XEQXLDUJTQQLAB-IYXRBSQSSA-N 330.369 3.546 0 50 EHAA CC1=NN(c2ccc(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)cc2)CC1 241126154 JJWJSBWGPIJSFW-LFZDHENXSA-N 337.467 3.827 0 50 EHAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C 245986689 ZWGUIJKAGXTMFK-MCIONIFRSA-N 345.468 3.934 0 50 EHAA C[C@H]1CN(Cc2ccccn2)CC[C@H]1NCc1cc(Cl)cs1 248732930 MHAYETPTHCRDJN-SUMWQHHRSA-N 335.904 3.797 0 50 EHAA CCN(C)c1ccc(CN[C@H]2CCCOc3c(F)cccc32)cn1 252487488 HWWLZFYYEWQQEU-KRWDZBQOSA-N 329.419 3.680 0 50 EHAA COCc1nc(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)cs1 292113780 NTZXYHFDLCHPTH-SECBINFHSA-N 342.873 3.812 0 50 EHAA O=C(NCCc1ccccc1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299764721 CYDFWWSQQJXDIV-HBMCJLEFSA-N 334.463 3.571 0 50 EHAA Clc1ccc(-c2noc([C@H]3CCCN(c4cnccn4)C3)n2)cc1 301209719 TXPGBJYKNLXYSX-ZDUSSCGKSA-N 341.802 3.564 0 50 EHAA CC(C)(C)OC(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 310002987 RUNRDFXTKWKBQO-UHFFFAOYSA-N 333.428 3.767 0 50 EHAA CC(C)(C)OC(=O)NCCC(=O)Nc1cnccc1-c1ccccc1 408514637 HHOFYSCDQLMWLA-UHFFFAOYSA-N 341.411 3.602 0 50 EHAA CCOc1ccc(C(C)=O)cc1NC(=O)N(CC)C[C@H]1CCCCO1 426423410 LVTIZYUODCDBQW-MRXNPFEDSA-N 348.443 3.711 0 50 EHAA Cc1c(N[C@@H](C)c2ccc(OC(F)F)cc2)cnn1[C@H]1CCOC1 453363648 WDBJZWVJXOZLQP-FZMZJTMJSA-N 337.370 3.927 0 50 EHAA Cc1cccc(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)O)c1Cl 455907042 ACZRGJYZRUCNDT-CZUORRHYSA-N 345.826 3.710 0 50 EHAA CC[C@@H](C)n1ncc(N=c2[nH]c(-c3cccnc3)nc3c2CCC3)c1C 477694686 PAUUSBYIMWCTGR-CYBMUJFWSA-N 348.454 3.669 0 50 EHAA Cc1cccc([C@H](NC(=O)N2CCC(CO)CC2)c2cccs2)c1 584891920 NKQRUMMXIULZAZ-SFHVURJKSA-N 344.480 3.560 0 50 EHAA C[C@H](c1ccccc1)n1ccc(N[C@@H]2CCN(c3ccccc3)C2=O)n1 675283518 HXEXPVSCVBFMLC-VQIMIIECSA-N 346.434 3.710 0 50 EHAA CCCn1c(C)nc2cc(NC(=O)[C@@H](C)CN3CCCCC3)ccc21 952870268 ZIZALZVPKCVBLT-HNNXBMFYSA-N 342.487 3.815 0 50 EHAA CC1=CC2(CCN(C(=O)c3c[nH]nc3C3CCCCC3)CC2)OCC1 1704340903 XREXAYZMBWOBJJ-UHFFFAOYSA-N 343.471 3.799 0 50 EHAA CCn1cc([C@H]2OCC[C@@H]2CNc2ncccc2C(F)(F)F)cn1 1857529244 AOWMIUUZLRVFHU-RISCZKNCSA-N 340.349 3.507 0 50 EHAA CCN(CC)Cc1cc(-c2nccn2C2CCOCC2)ccc1OC 1857741438 SOYLHFCSMKDLNF-UHFFFAOYSA-N 343.471 3.752 0 50 EHAA O=C(NC[C@]12CCCN[C@H]1CCC2)c1ccc2ncccc2c1Cl 2325779250 SARQSKLSNXTOIN-LPHOPBHVSA-N 343.858 3.540 0 50 EHAA Cc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3Cl)CC2=O)cc1 44711 SZKDSMVYWIRFFM-AWEZNQCLSA-N 342.826 3.948 0 50 EHAA CCSc1nnc(NC(=O)c2ccc(Br)cc2)s1 68309 FJAHITTUMBLPTR-UHFFFAOYSA-N 344.259 3.665 0 50 EHAA CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1 196904 ZKZWYIXNSUJZGP-UHFFFAOYSA-N 340.379 3.622 0 50 EHAA COC(=O)c1sccc1NC(=O)c1ccc(OCC(C)C)cc1 442767 MXAHZTIIXRJGDF-UHFFFAOYSA-N 333.409 3.822 0 50 EHAA Cc1ccccc1OCC(=O)OCc1ccc(Br)cc1 460732 XZHIEUNDHVGNBW-UHFFFAOYSA-N 335.197 3.880 0 50 EHAA COC(=O)c1c(NC(=O)c2ccc(C)o2)sc2c1CC[C@H](C)C2 473261 RRZDOOCTCAWMRQ-VIFPVBQESA-N 333.409 3.813 0 50 EHAA Cc1ccc(Cn2ncc3c(N4C[C@@H](C)C[C@H](C)C4)ncnc32)cc1 521829 KQUHRRWPAODPTP-HOTGVXAUSA-N 335.455 3.665 0 50 EHAA O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccncc1 619309 VCDBJXLQOCVTQT-UHFFFAOYSA-N 347.403 3.643 0 50 EHAA Cc1ccc(COc2ccccc2/C=C2/SC(=O)NC2=O)cc1 1137970 KEGRCLIYCXPBKP-MHWRWJLKSA-N 325.389 3.898 0 50 EHAA CN1CCc2cc(Br)c(O)cc2[C@@H](c2ccccc2)C1 3870333 XFTVOHWWEQGXLS-OAHLLOKOSA-N 332.241 3.775 0 50 EHAA biogenic,investigational CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@]12C 4578451 WKAVAGKRWFGIEA-QJAIXKHESA-N 328.452 3.903 0 50 EHAA C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(F)c1 4739957 FALBHNDGYWUKCG-JTQLQIEISA-N 338.176 3.994 0 50 EHAA O=CNCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 4810445 HNQYDSIKQRIAQJ-UHFFFAOYSA-N 334.206 3.637 0 50 EHAA COc1ccc2c(c1)C[C@H](C(=O)Nc1c(C)cc(C)cc1C)CO2 8610437 WHHJFPPBPFNUSM-INIZCTEOSA-N 325.408 3.810 0 50 EHAA Cc1c(C(=O)N(C)C2CCCCC2)sc2nc3ccc(N)cc3n12 11687445 KCBXOMYXOBVLED-UHFFFAOYSA-N 342.468 3.844 0 50 EHAA in-vitro O=C(NCCc1ccc(F)cc1)c1cc(CCc2ccccc2)no1 11997739 UENOAQNWXBSNAT-UHFFFAOYSA-N 338.382 3.571 0 50 EHAA O=C(C[C@@H](c1ccc(O)cc1)c1cccc(O)c1)N1CCCCC1 12458931 VBWGBMFDHMXEHQ-IBGZPJMESA-N 325.408 3.632 0 50 EHAA COC(C)(C)CCC[C@H](C)CCNCCCCCN1CCOCC1 32513712 MOYVRQRQBIRQGU-IBGZPJMESA-N 342.568 3.700 0 50 EHAA CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1cc(C)nn1CC 55036250 XFLNKVGVHVVGHY-UHFFFAOYSA-N 342.443 3.901 0 50 EHAA CSc1ccccc1NC(=O)NCc1ccccc1-n1ccnc1 56527881 JGTCHEJYOYXVSQ-UHFFFAOYSA-N 338.436 3.916 0 50 EHAA COCC1(C(=O)N(C)Cc2cnc(-c3ccccc3)s2)CCC1 65469405 FCYAHZBGLQMWKV-UHFFFAOYSA-N 330.453 3.585 0 50 EHAA Cc1ccccc1SCC(=O)N1Cc2cnc(C(C)(C)C)nc2C1 67868935 SVUUNDMLNHQORK-UHFFFAOYSA-N 341.480 3.717 0 50 EHAA c1ccc(-c2ncc(-c3nccn3CCCn3ccnc3)s2)cc1 67908016 OAOPRPRAFVDNLI-UHFFFAOYSA-N 335.436 3.960 0 50 EHAA CCc1cc(CN2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)on1 72152639 LHXDQYPWYYAUFY-KRWDZBQOSA-N 328.391 3.980 0 50 EHAA C[C@@H](O)c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)n1 72174244 GEXFZAVLZQLSBV-CYBMUJFWSA-N 345.406 3.685 0 50 EHAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)C1(c2ccccc2)CC1 79318031 TVILPCPQVGPQJG-IBGZPJMESA-N 337.419 3.915 0 50 EHAA Cn1ccnc1-c1cn([C@@H](c2cccs2)C2CCCCC2)nn1 91270284 FIDFJVUXZYJGSV-MRXNPFEDSA-N 327.457 3.910 0 50 EHAA CC(C)NC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 91505369 SARQNDPIWITOIK-MRXNPFEDSA-N 344.434 3.733 0 50 EHAA Cc1ccccc1-c1nnc(CN2CCO[C@](C)(c3ccccc3)C2)o1 121681151 OZGDNJCNLZLCPO-NRFANRHFSA-N 349.434 3.793 0 50 EHAA Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)o1 176167928 STDKLCYBZCELKV-MRXNPFEDSA-N 325.364 3.557 0 50 EHAA C[C@@H](NC(=O)NCc1ccco1)c1noc(-c2ccc(Cl)cc2)n1 177437479 LAUQDZZKCNIXLG-SNVBAGLBSA-N 346.774 3.543 0 50 EHAA Cc1nc(C(=O)N[C@H](c2ccccc2)c2nccs2)c(C)s1 178527288 XPBWPIZJTLXRSA-CQSZACIVSA-N 329.450 3.736 0 50 EHAA O=C(C1CCC(F)(F)CC1)N1CCO[C@H](c2ccc(F)cc2F)C1 188408495 YBPJVTIEOKJRBQ-HNNXBMFYSA-N 345.336 3.690 0 50 EHAA O=C(c1cc(Cl)c[nH]c1=O)N1CCCCC[C@@H]1c1cccc(F)c1 223790940 SBNBSBUABPHCBT-MRXNPFEDSA-N 348.805 3.925 0 50 EHAA C[C@@H]1CN(c2ccncc2Br)C[C@@H](c2ccccc2)O1 225613261 GKVFKAUWKHRWIZ-WBMJQRKESA-N 333.229 3.811 0 50 EHAA Cc1ccc(C)c(-n2ncc(C(=O)Nc3ccc(C(=O)O)cc3)c2C)c1 237690499 YCFHHWRZMNLCPL-UHFFFAOYSA-N 349.390 3.748 0 50 EHAA O=C1[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccccc2)cc1 239090988 HOGVSPRDEKLFAH-XAMWDVODSA-N 347.414 3.801 0 50 EHAA Cc1ncsc1C(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 253392742 QGTPWITYLJMNHF-UHFFFAOYSA-N 343.330 3.595 0 50 EHAA COc1cnc2ccccc2c1C(=O)N1CCC[C@@H](C(F)(F)F)C1 253392839 IDIRJUSYCMDDDJ-LLVKDONJSA-N 338.329 3.658 0 50 EHAA FC(F)(F)c1ccnc(N2CCC(OCC3CCCC3)CC2)n1 253431209 GMZKREPBOZSXRO-UHFFFAOYSA-N 329.366 3.671 0 50 EHAA O=C(C1=Cc2ccccc2OC1)N1CCCC[C@H]1c1nccs1 264078688 CILVETPTUGPPDA-HNNXBMFYSA-N 326.421 3.673 0 50 EHAA Fc1cc2ncnc(N[C@H]3CCCO[C@@H]3c3ccncc3)c2cc1F 299745101 WEOHHRDDEMCBCP-DOTOQJQBSA-N 342.349 3.635 0 50 EHAA COc1cccc(-c2ccc(NC(=O)NC[C@@H]3CCOC3)cc2)c1 299761653 XGYMZYKOIYLGCV-AWEZNQCLSA-N 326.396 3.520 0 50 EHAA O=C(Nc1ccc(OCc2cccs2)cc1)N1CCC(CO)CC1 299774041 FDZXUUFNZFFLJP-UHFFFAOYSA-N 346.452 3.563 0 50 EHAA CC(C)=CCC/C(C)=C/CNC(=O)c1cc(C(C)(C)C)nc(O)n1 299777725 KRYQQWRRPOFSCK-GXDHUFHOSA-N 331.460 3.902 0 50 EHAA C[C@@H](C1CC1)n1nccc1NC(=O)NCc1c(F)cccc1Cl 299796455 QLDUWXVUBRRGRA-JTQLQIEISA-N 336.798 3.968 0 50 EHAA O=C(c1coc(C2CCOCC2)n1)N1CCC[C@H]1c1cccc(F)c1 328748977 PWIMUYBKWPUFAS-KRWDZBQOSA-N 344.386 3.685 0 50 EHAA O=C(N[C@@H]1CCO[C@@H](c2ccccn2)C1)N1[C@H]2CC[C@H]1c1ccccc12 333837917 MTUGXFIIOXQUTJ-QRKUABHPSA-N 349.434 3.903 0 50 EHAA O=C(C[C@@H]1C[C@H]1c1ccccc1)N[C@H]1CCOc2c(F)cccc21 341080647 AMUMKRHIANKOSE-ZVZYQTTQSA-N 325.383 3.959 0 50 EHAA C[C@@H](NC(=O)N(C)Cc1cc(-c2cccs2)n[nH]1)C1CCCC1 534592767 SNYRQNMZXZIOEZ-GFCCVEGCSA-N 332.473 3.858 0 50 EHAA O=C(O)c1ccc(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)o1 846255816 RQWQVSXDOAPSFH-LBPRGKRZSA-N 339.313 3.986 0 50 EHAA CC[C@@H](C(=O)NCc1conc1C)c1ccc(Br)cc1 868670115 DOIGCXFVDHFMFI-CQSZACIVSA-N 337.217 3.556 0 50 EHAA COC1(c2noc(-c3ccc(P(C)(C)=O)cc3)n2)CCCCC1 904083076 DLXTZSSPKOZSCE-UHFFFAOYSA-N 334.356 3.790 0 50 EHAA Cc1cc(NC(=O)NC[C@@H]2CCC3(CCC3)CO2)cnc1C(F)F 934580672 FWMJYKCIEHNZJL-ZDUSSCGKSA-N 339.386 3.798 0 50 EHAA O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC[C@@H](C2(O)CC2)C1 1772804542 BPTFSQXVQXGSQH-HXUWFJFHSA-N 335.447 3.660 0 50 EHAA CC(C)(C)c1ccccc1NC(=O)Cc1ccc2c(c1)O[S@](=O)O2 1775964957 NPLKERAEGGJIKF-XMMPIXPASA-N 345.420 3.515 0 50 EHAA CC1([C@H]2CCCN(C(=O)c3ccnc(Oc4ccccc4)c3)C2)N=N1 1775997330 BQXPMZZUGASYEX-HNNXBMFYSA-N 336.395 3.908 0 50 EHAA c1ccc(-c2nnc(N3C[C@@H]4C[C@H](C3)[C@@H]3CCCCN3C4)s2)cc1 1857711961 APWMKVULMUPPFW-OIISXLGYSA-N 340.496 3.516 0 50 EHAA C[C@@H](NC(=O)C(=O)c1ccc(Cl)s1)c1ccc(Cl)nc1 1875263753 WAIAMHRIOUCFRU-SSDOTTSWSA-N 329.208 3.510 0 50 EHAA COc1ccccc1[C@@H](NC(=O)Cc1ccccc1CO)C(C)(C)C 1875263877 HFQIYOOZGJTDNS-HXUWFJFHSA-N 341.451 3.634 0 50 EHAA O=C(O)c1cnc([C@@H]2CCCN2Cc2cccc3ccccc23)nc1 1875282487 HBVHPDNPQXKMOA-SFHVURJKSA-N 333.391 3.665 0 50 EHAA CC[C@H](N=c1nc(C)nc2[nH][nH]cc1-2)C1CCC(C(F)(F)F)CC1 1875356494 MJYYBQKQRICQMK-XIVSLSHWSA-N 341.381 3.594 0 50 EHAA C[C@@H]1CCn2nccc2N1C(=O)c1sc2ncccc2c1Cl 2325805704 INCSDRNOVMICSX-SECBINFHSA-N 332.816 3.585 0 50 EHAA CN(Cc1cc(F)cc(C(F)(F)F)c1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2356143233 ZPWVGBNYSLRAIE-HMEQZMJYSA-N 331.353 3.826 0 50 EHAA O=C(N[C@H]1CC[C@H](C(=O)O)CC1)C1(c2ccc(Cl)cc2)CCC1 2356158960 GFBSIOBWDOFBQL-NNUKFRKNSA-N 335.831 3.521 0 50 EHAA Cc1sc2ncn([C@H](C)C(=O)OC3CCCCC3)c(=O)c2c1C 38095 KLRIWKNTQFPBTE-LLVKDONJSA-N 334.441 3.512 0 50 EHAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 464572 YKHTZXXHQCCKOA-OAHLLOKOSA-N 341.407 3.886 0 50 EHAA CCNC(=O)n1nccc1[C@@H](C)Oc1cccc(C(F)(F)F)c1 3016413 ZWKAWSNEOQTQHT-SNVBAGLBSA-N 327.306 3.620 0 50 EHAA O=C(O)C[C@@H](c1ccc(C(F)(F)F)cc1)N1Cc2ccccc2C1=O 4014650 GGJXKBHOEZYVDP-HNNXBMFYSA-N 349.308 3.877 0 50 EHAA COc1cc(CNCc2cccs2)cc(Br)c1OC 4670839 NAXQTHSJIXSZPN-UHFFFAOYSA-N 342.258 3.818 0 50 EHAA CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1F 4857000 DNQXUYMTEZUISS-UHFFFAOYSA-N 329.780 3.679 0 50 EHAA O=c1cc(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)[nH]1 8306355 XDFKDQBQJDKUIM-UHFFFAOYSA-N 334.404 3.606 0 50 EHAA O=C(NCCCN1CCCCCC1)c1ccc(N2CCCCC2)cc1 10111308 AHLOTNXZACEFNR-UHFFFAOYSA-N 343.515 3.673 0 50 EHAA Cc1cccc(C(=O)N[C@H](C)c2cnn(-c3cccc(F)c3)c2C)n1 11878886 IVAOMKXOLUYHAF-CYBMUJFWSA-N 338.386 3.514 0 50 EHAA O=C(CC[C@H]1CCCN(C23CC4CC(CC(C4)C2)C3)C1)NC1CC1 12430621 OJHHAGUGMFYKFQ-NEFAXPCMSA-N 330.516 3.726 0 50 EHAA CCOc1ccc(/N=c2\scc(-c3ccccc3)n2CCO)cc1 13110814 KHUACXOIGLXDQD-VXPUYCOJSA-N 340.448 3.840 0 50 EHAA CCOc1c(Cl)cc(C(=O)NCc2ccncc2)cc1Cl 16265866 KXUBXAAOYLIOET-UHFFFAOYSA-N 325.195 3.717 0 50 EHAA Cc1cccc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 16606546 KVRPONVCKWCKEX-UHFFFAOYSA-N 326.415 3.985 0 50 EHAA COc1cccc(CN2CCN(C3CCCCCC3)CC2)c1OC 19788632 SXJCRHIYNHUSTD-UHFFFAOYSA-N 332.488 3.544 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2F)c(C)c1 20398119 AJDJJSINWXUHIM-GOSISDBHSA-N 340.398 3.686 0 50 EHAA CCc1cc([C@H]2CCCN2C(=O)c2cc(-c3cccs3)on2)on1 33269918 KIOAUZNHPVEZOK-CYBMUJFWSA-N 343.408 3.931 0 50 EHAA CCC(CC)N(CCc1ccccc1)C(=O)[C@H]1CC12CCNCC2 55154315 HEXZSUAQEGRWMX-LJQANCHMSA-N 328.500 3.636 0 50 EHAA CCN(CCOC)C(=O)C[C@H](c1ccccc1)c1ccc(F)cc1 55413847 QMOMNYVDROSWQS-LJQANCHMSA-N 329.415 3.843 0 50 EHAA COc1ccc(Cl)cc1-n1nc(C2CC2)nc1[C@H](C)n1ccnc1 65435579 YZRLUJLAZHINIZ-NSHDSACASA-N 343.818 3.613 0 50 EHAA O=C(CCCc1cn[nH]c1)N1CCC[C@H](CCc2ccccc2F)C1 71752007 WXJJVYGLGCSFNU-MRXNPFEDSA-N 343.446 3.743 0 50 EHAA COc1ccccc1/C=C/CN1CCC[C@H](OCc2cccnc2)C1 72151376 JOZKRCGBVOSWBI-MRSBXDGLSA-N 338.451 3.785 0 50 EHAA CCn1nc(CNC(=O)c2ccc3cccc(F)c3n2)c2ccccc21 91381882 CBOJGPIQMRXRSK-UHFFFAOYSA-N 348.381 3.674 0 50 EHAA Cc1ccc2c(C)c(C(=O)N(C)Cc3ccc4nonc4c3)oc2c1 91551215 VJJCJMFQHLLUSS-UHFFFAOYSA-N 335.363 3.858 0 50 EHAA Cc1ccc(N2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)nn1 95380659 QNNRZGZFSDALOF-NRFANRHFSA-N 336.483 3.668 0 50 EHAA O=C(c1ccn(C(F)F)n1)N1CCC(Cc2ccccc2F)CC1 95383257 UMLUDUAJGGNKFY-UHFFFAOYSA-N 337.345 3.512 0 50 EHAA CCOCCCNC(=O)Nc1ccc(-c2ccc(OC)cc2)cc1 96149487 HFXWBVSVCFQJOH-UHFFFAOYSA-N 328.412 3.910 0 50 EHAA CCc1cc(C(=O)N(Cc2ccncc2)Cc2ccc(C)s2)[nH]n1 97619043 OFRSQMOCVWMKRA-UHFFFAOYSA-N 340.452 3.580 0 50 EHAA C[C@H]1[C@@H](OC(=O)c2csc(-c3ncccn3)n2)C[C@H]2C[C@H]1C2(C)C 127108008 XPMVWCQXJFKUNL-BYNQJWBRSA-N 343.452 3.828 0 50 EHAA COc1cc(CN(Cc2cccc(OC)c2OC)C2CC2)ccc1O 170601635 ZBWCQGOMQPWOMG-UHFFFAOYSA-N 343.423 3.583 0 50 EHAA Fc1cccc([C@@H]2CN(c3nc(-c4ccccc4)ns3)CCO2)c1 174723587 JDGHTNKUXMXEBH-INIZCTEOSA-N 341.411 3.922 0 50 EHAA Cn1ccnc1CN[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 183350072 MNQWTFMSXQWUPH-LBPRGKRZSA-N 337.267 3.832 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CC(c2ccc(F)cc2)C1 190435752 QBGHFEBGQPSPCY-FYOYPEGLSA-N 343.446 3.798 0 50 EHAA CN(c1ccccc1)C1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 192058140 ICARPBGVTCUPCJ-OAQYLSRUSA-N 349.478 3.541 0 50 EHAA Cc1c(NC(=O)Nc2nnc(C(F)F)s2)cnn1C1CCCC1 193462743 APGGVXNHOITSNX-UHFFFAOYSA-N 342.375 3.740 0 50 EHAA COC[C@H](N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(Cl)cc1 194117553 STYWTTLZSQMTHS-IXDOHACOSA-N 341.904 3.672 0 50 EHAA COc1ccc([C@H]2CCN(c3ccncc3Br)C2)cc1 225405510 QTDIQKWVEHOFDX-ZDUSSCGKSA-N 333.229 3.847 0 50 EHAA C[C@H](N[C@@H](C)[C@H](C)n1cccn1)c1nnc(-c2cccc(Cl)c2)o1 252475398 ZRYLIHCXGKRKBK-AVGNSLFASA-N 345.834 3.887 0 50 EHAA CCc1nc(C)cc(N2CCC[C@@H]2c2cc(OC)ccc2OC)n1 253419303 LDPLZPMQXSAKRK-MRXNPFEDSA-N 327.428 3.706 0 50 EHAA C[C@H](NC(=O)C1SCCS1)c1ccc(-c2cccnc2)cc1 270436253 GZUBNMNUZMZFOF-LBPRGKRZSA-N 330.478 3.732 0 50 EHAA O=C(O)C[C@@H]1CCCN(Cc2cc(F)ccc2Br)CC1 299741109 CVCCBQISELBILE-LLVKDONJSA-N 344.224 3.665 0 50 EHAA CSCc1ccc(C(=O)N[C@@H](C)c2nc3c(s2)CCCC3)o1 299785867 MMQKSQCIOKPDRP-JTQLQIEISA-N 336.482 3.969 0 50 EHAA Cc1ncsc1CN(Cc1cc2ccccc2o1)C[C@@H]1CCNC1 328624854 CRCWYOHPWDLJJK-OAHLLOKOSA-N 341.480 3.809 0 50 EHAA COc1cc(C)c([C@@H](C)NC(=O)N2CCC[C@H]2C(F)F)cc1OC 344307623 XHCQVGKAPWDVQL-YPMHNXCESA-N 342.386 3.512 0 50 EHAA c1ccc(-c2cnc([C@@H]3CCCN(c4ncnc5[nH]ccc45)C3)[nH]2)cc1 364885774 LYTXVIPUZDXANZ-OAHLLOKOSA-N 344.422 3.732 0 50 EHAA COCCCN(C)C(=O)N1CCC[C@@H]1c1nc(C2CCCCC2)co1 364979897 JLXQXRDHTWVGMZ-QGZVFWFLSA-N 349.475 3.948 0 50 EHAA CO[C@@H]1CC[C@@]2(OC)CCN(C(=O)c3cc4ccccc4s3)[C@H]2C1 426573034 HQQLMIYHPRLDRC-DKSSEZFCSA-N 345.464 3.700 0 50 EHAA Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1noc2c1CCCC2)CC3 491522184 RFUWRGIENAISEK-ZDUSSCGKSA-N 349.434 3.630 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)N[C@@H]1C[C@H](C(=O)O)c2ccccc21 653330309 CRNFRWADMYJIOW-ZOCIIQOWSA-N 335.403 3.536 0 50 EHAA C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cnc(C2CC2)nc1O 670473732 POXXVGJGYGENJY-CYBMUJFWSA-N 339.439 3.546 0 50 EHAA O=C(CCc1ccccc1F)N[C@@H]1CCCN(Cc2cccs2)C1 828013022 KCVWMQXESCAKGU-MRXNPFEDSA-N 346.471 3.601 0 50 EHAA C[C@@H](NC(=O)c1ccnn1C1CCC1)c1ccc(C(F)(F)F)nc1 828909574 QZNFEVHAFYQASN-SNVBAGLBSA-N 338.333 3.513 0 50 EHAA CC(C)[C@H](NC(=O)N1CCC[C@@H]1c1ccc(O)cc1)C(F)(F)F 931040034 VRZSPEDYCBWJOZ-KGLIPLIRSA-N 330.350 3.826 0 50 EHAA O=C(Nc1ccc(OC(F)F)nc1)N1CC[C@@H]1c1ccc(F)cc1 931321231 MXAMQZPIVLFBTP-CYBMUJFWSA-N 337.301 3.801 0 50 EHAA C[C@@H](NC(=O)N(C)Cc1ccn(C)n1)c1cccc(Cl)c1Cl 1347215816 JIHRMGOTUFRRIE-SNVBAGLBSA-N 341.242 3.630 0 50 EHAA CC[C@H](NC(=O)/C=C/c1cc(CO)cs1)c1nc(C)c(C)s1 1506409800 UAFUYOXUMNHBSK-GJBLVYBDSA-N 336.482 3.594 0 50 EHAA CN(CCCOc1cccc(Cl)c1)Cc1nc(C(F)(F)F)no1 1704347730 GMXHFHAWGPIDMM-UHFFFAOYSA-N 349.740 3.643 0 50 EHAA O[C@H]1C[C@H](CN[C@@H](c2cc(F)c(Br)cc2F)C2CC2)C1 1775987629 KRLILKZIAOXMCE-FFTROKDMSA-N 346.215 3.539 0 50 EHAA Fc1ccc(N2CC[C@H](Cn3ccnc3-c3cnsc3)C2)cc1 1857685465 KFQOBRPPIPDWMB-ZDUSSCGKSA-N 328.416 3.672 0 50 EHAA Cc1onc(-c2cccs2)c1C(=O)NC[C@@H]1CCCSCC1 1875276444 JJDXQFGIYPBYCW-GFCCVEGCSA-N 336.482 3.975 0 50 EHAA Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]32)c2cc(Br)ccc2n1 1875358049 HQFOYXVPEFYYSY-KNHMANMVSA-N 345.240 3.834 0 50 EHAA Cc1csc(N(C(=O)[C@@H]2CCCc3cncn32)c2ccccc2)n1 2325806585 ZRCXJSBPNDSMGM-INIZCTEOSA-N 338.436 3.890 0 50 EHAA Cc1c(NC(=O)[C@H]2CCOc3ccc(Cl)cc32)cncc1N(C)C 2325821234 XQYDBKFQHKOMFJ-ZDUSSCGKSA-N 345.830 3.614 0 50 EHAA CCOC(=O)c1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1 210452 GRXFUSPFPHVRIS-UHFFFAOYSA-N 348.402 3.693 0 50 EHAA O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccncc1)c1ccco1 384383 MPEMICUTQLMOAA-UHFFFAOYSA-N 341.754 3.833 0 50 EHAA CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1 455104 RQBUAKMPGOOECW-UHFFFAOYSA-N 328.437 3.829 0 50 EHAA O=C(CSCc1ccc(C(=O)O)cc1)Nc1ccc(Cl)cc1 2887360 WKYAJBDQRAVERI-UHFFFAOYSA-N 335.812 3.910 0 50 EHAA CCN(/C=C/c1nnnn1-c1ccc(Cl)cc1)c1ccccc1 4087799 YZIQONOVLAXMQA-OUKQBFOZSA-N 325.803 3.813 0 50 EHAA O=C(Nc1cccc(-c2noc(-c3ccccn3)n2)c1)c1ccco1 4786695 DNZZZOTWLDNVRS-UHFFFAOYSA-N 332.319 3.644 0 50 EHAA O=C(NCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1 4851374 XNDGSRQWVIQPNI-UHFFFAOYSA-N 328.759 3.712 0 50 EHAA COc1ccc(CCC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 6726211 VTORUAKFNRAGFQ-CQSZACIVSA-N 343.423 3.522 0 50 EHAA COc1ccc(-c2nnc(NC(=O)Cc3ccccc3C)s2)cc1 6730180 KCLNVAFBHDKJEY-UHFFFAOYSA-N 339.420 3.703 0 50 EHAA Cc1c(Cl)cccc1N1CCN(C(=O)N2CCC(C)CC2)CC1 7504450 LCOQCELDTDRHGF-UHFFFAOYSA-N 335.879 3.622 0 50 EHAA Cc1ccc(-c2noc(CN(C)C(=O)CC3CCCCC3)n2)cc1 7759576 AAHNWNACMYFDGQ-UHFFFAOYSA-N 327.428 3.974 0 50 EHAA Cc1cc(Br)c(NC(=O)CN2CCC(C)CC2)cc1C 10495503 QHLZDAYOKFJZMK-UHFFFAOYSA-N 339.277 3.736 0 50 EHAA Cc1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(C)o1 11754240 PMBFDFNYRHHPFJ-QGZVFWFLSA-N 346.858 3.944 0 50 EHAA Cc1ccccc1[C@H](CC(=O)NCc1nccn1C)c1ccccc1 12444581 ZYFSIPNVTMBRCW-LJQANCHMSA-N 333.435 3.567 0 50 EHAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13520606 DBPWSSGDRRHUNT-BCRJPVCJSA-N 330.468 3.838 0 50 EHAA biogenic CCOC(=O)c1ccc(NC(=S)NCCc2ccccc2F)cc1 13521651 PHNFGKNEABHJPK-UHFFFAOYSA-N 346.427 3.532 0 50 EHAA O=C(NCCN1CCCCC1)c1sc2cccc(F)c2c1Cl 16602578 WTXJFZBSUWZPFL-UHFFFAOYSA-N 340.851 3.910 0 50 EHAA CCn1cc(C(=O)Nc2ccc(C)cc2)c(=O)c2cc(OC)ccc21 16650063 HVIJSSBMKZZGBT-UHFFFAOYSA-N 336.391 3.591 0 50 EHAA COc1cccc(CN2CCN(Cc3ccccc3Cl)CC2)c1 19781720 ZPMXIHNFVHAIJS-UHFFFAOYSA-N 330.859 3.666 0 50 EHAA C[C@H]1[C@H]2CCCN2CCN1Cc1ccc(OCc2ccccc2)cc1 22078371 FUTZHFNMNGFUOM-PGRDOPGGSA-N 336.479 3.934 0 50 EHAA N=C(Nc1nc(O)cc(C(F)(F)F)n1)Nc1cccc2ccccc12 22147743 IOIBRSHRWNLOMV-UHFFFAOYSA-N 347.300 3.813 0 50 EHAA Cc1oc(-c2ccoc2)nc1CN1CCCN(c2ccccc2)CC1 64143608 QJERIBVMKIUPIR-UHFFFAOYSA-N 337.423 3.955 0 50 EHAA CC[C@H](c1nc(Cc2ccccc2)n[nH]1)N1Cc2ccccc2C1=O 65424503 YIFQUTHLCREDJA-QGZVFWFLSA-N 332.407 3.503 0 50 EHAA Cc1cc2nc(C(C)C)cc(N3CC(OCc4ccccc4)C3)n2n1 72411864 CWBCWHWTYKKLNG-UHFFFAOYSA-N 336.439 3.567 0 50 EHAA O=C(Cc1cccc(Cl)c1)N1CCCC[C@H]1CCn1ccnc1 82108767 KGAZTZOLGFDPGV-KRWDZBQOSA-N 331.847 3.550 0 50 EHAA CCSc1ncc(-c2nccn2[C@@H]2COc3ccccc3C2)cn1 82115755 RGXUFCDVEUPGDY-HNNXBMFYSA-N 338.436 3.628 0 50 EHAA COc1ccc2c(c1)CCN(C(=O)c1ccc(-c3cnco3)cc1)CC2 95391259 GEOHVSKQYXTLHI-UHFFFAOYSA-N 348.402 3.591 0 50 EHAA COc1ccc(C2(CNC(=O)c3ncoc3C3CC3)CCCC2)cc1 97654175 ANKQKUKHPFPJGN-UHFFFAOYSA-N 340.423 3.802 0 50 EHAA O[C@]12CCCC[C@H]1CN(Cc1c[nH]nc1-c1ccc(Cl)cc1)CC2 97831214 VIDKKUXUWJZLNW-LPHOPBHVSA-N 345.874 3.857 0 50 EHAA CCc1ccc(N2C[C@@H](c3noc(-c4ccsc4)n3)CC2=O)cc1 169755420 MHAOVFFABGUTSX-AWEZNQCLSA-N 339.420 3.881 0 50 EHAA Cc1cc(C)cc(C[C@@H](C)NC(=O)NCc2nc3ccccc3[nH]2)c1 170609779 KAEKMVXPHQIKBA-OAHLLOKOSA-N 336.439 3.610 0 50 EHAA O=C1CN(Cc2ccc(F)cc2)C(=O)N1c1cccc2ccccc12 170613730 MCEUGUMRBSCVBB-UHFFFAOYSA-N 334.350 3.948 0 50 EHAA C[C@H](c1cccs1)N(C)C(=O)Nc1cn(Cc2ccccc2)nn1 170616919 XWYJGGCOBVRQEF-CYBMUJFWSA-N 341.440 3.613 0 50 EHAA C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC[C@@]2(CC=CCC2)C1 170626845 SGEOMYZUQAJSPT-UTKZUKDTSA-N 346.515 3.810 0 50 EHAA CC(C)n1ccc(C[S@](=O)Cc2sccc2Br)n1 170629722 VOKIIXBZSFOHLG-SFHVURJKSA-N 347.303 3.737 0 50 EHAA CN(C(=O)c1ccc2nccn2c1)[C@H](c1ccccc1)C(F)(F)F 171256012 QQAVRROLAGXBKN-OAHLLOKOSA-N 333.313 3.710 0 50 EHAA CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCCC(C)(C)CC2)c1 175683146 JDWLCIHOLZKOPS-AWEZNQCLSA-N 347.459 3.704 0 50 EHAA Cc1nc(C)c(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)s1 182845818 AZLPBRGSSQTWQE-LBPRGKRZSA-N 344.406 3.812 0 50 EHAA Cc1cnc([C@@H](C)CNC(=O)Nc2c[nH]nc2-c2ccccc2)s1 183638164 DRTNPRCIJIXKPQ-NSHDSACASA-N 341.440 3.767 0 50 EHAA CS[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1cccnc1)CCC2 187136571 QUPDFDUQBZRGBF-JTQLQIEISA-N 346.477 3.553 0 50 EHAA CC(=O)c1cc(CN2C[C@H](c3ccccc3C)[C@@H](C(=O)O)C2)cs1 212498469 BLLUPEWGCADJKS-SJORKVTESA-N 343.448 3.559 0 50 EHAA COc1ccc2[nH]c([C@@H](C)Nc3ncnc4ccc(C)cc34)nc2c1 225535211 YFXXLMAGYJMLQQ-GFCCVEGCSA-N 333.395 3.996 0 50 EHAA CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 238882267 DADWHLXIRCZAOA-CPLUKWAASA-N 327.399 3.944 0 50 EHAA COc1ccc(CCCC(=O)N[C@H]2CCOc3c(C)cccc32)cc1 241316660 LTVWWPBPRBVMBO-IBGZPJMESA-N 339.435 3.966 0 50 EHAA C[C@H](N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)N(C)Cc1cccc(F)c1 248110059 JYMASZPBWQIMJG-BTWZCHHXSA-N 332.463 3.587 0 50 EHAA Cc1ccc([C@H](NC(=O)N2CCCN3CCC[C@H]3C2)C(C)(C)C)o1 252486331 INNKCJLSWHAPDG-RDJZCZTQSA-N 333.476 3.555 0 50 EHAA COC(=O)Nc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2C)cc1 252551356 UCUWVDSFWXPSKZ-ZDUSSCGKSA-N 330.432 3.802 0 50 EHAA Cc1oc(C(C)C)cc1C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 263036283 DFJAQCFVOKRBSP-HNNXBMFYSA-N 333.359 3.796 0 50 EHAA Cc1ccc(C)c(CN(C)C(=O)CCc2ccccc2C(=O)O)c1 263571578 JOYWLHGVPCOGST-UHFFFAOYSA-N 325.408 3.593 0 50 EHAA Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@H]1c1ccncc1 298123347 CZIXLEYVKBBTSM-INIZCTEOSA-N 330.815 3.786 0 50 EHAA O=C(O)[C@]12CC[C@H](c3ccccc3)C[C@H]1CN(Cc1ccccn1)C2 299779059 SEHKHAXLKDPAEH-WFXMLNOXSA-N 336.435 3.552 0 50 EHAA CSc1cccc(CN(C)C(=O)Nc2cc(C3CC3)nn2C)c1 299789823 AJUOQKUFGUGSLC-UHFFFAOYSA-N 330.457 3.683 0 50 EHAA CCC1(CO)CCN(C(=O)c2nc(C)sc2-c2ccccc2)CC1 331934471 NHWOQYORMXEAJO-UHFFFAOYSA-N 344.480 3.743 0 50 EHAA Cc1ccc(NC(=O)NC[C@H]2CCCN2C2CCCCC2)c(C)n1 333012351 BMQPHYUJGIWIPU-QGZVFWFLSA-N 330.476 3.617 0 50 EHAA c1ccc(-c2nc(CN[C@@H]3CCc4ccccc4OC3)cs2)nc1 374535524 GXQWDADRWRQILH-OAHLLOKOSA-N 337.448 3.689 0 50 EHAA O=C(NC[C@@H]1CCN(C2CCCC2)C1)c1cc2cc(F)ccc2o1 426739132 XLNCJAPCMMQPGJ-ZDUSSCGKSA-N 330.403 3.566 0 50 EHAA C[C@@]1(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)CC=CCC1 449981434 NPEQETBNDQUZQQ-OAQYLSRUSA-N 335.451 3.630 0 50 EHAA CC[C@@](C)(CCNC(=O)c1cc(C)nc(C)n1)c1ccccc1OC 534636949 YPZQOWYBOINRRV-FQEVSTJZSA-N 341.455 3.590 0 50 EHAA CCC(CC)(CN[C@H](C)c1nnnn1C1CC1)c1ccc(F)cc1 663312699 FYMMYUFWNQTTAJ-CYBMUJFWSA-N 331.439 3.556 0 50 EHAA Cc1cnc(-c2nc(-c3cccc(-n4c(C)cnc4O)c3)no2)c(C)c1 761843906 MRRFHFXLQYLXMI-UHFFFAOYSA-N 347.378 3.615 0 50 EHAA C[C@H](OC(=O)c1c(F)cc(O)cc1F)c1noc(-c2ccccc2)n1 783715909 ITPRYEAWRUODBL-VIFPVBQESA-N 346.289 3.638 0 50 EHAA COc1ccc(C2(NC(=O)c3ccnc(C(F)(F)F)c3)CC2)cc1 808391122 IVIADQJEYYQBFE-UHFFFAOYSA-N 336.313 3.528 0 50 EHAA CC[C@@H](C)C(=O)Nc1cccc(C(=O)N2CCc3ccccc3C2)c1 822559350 NEMMQJKMOHAVFD-OAHLLOKOSA-N 336.435 3.870 0 50 EHAA O=C(c1cc(C2CC2)oc1C1CC1)N1CCOc2ccc(O)cc2C1 826139258 WRRMGVSOVVDOOB-UHFFFAOYSA-N 339.391 3.775 0 50 EHAA C=CC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2nc(C)cs2)c1 870829153 PTRDWNNTSJUZKA-HNNXBMFYSA-N 341.436 3.553 0 50 EHAA Fc1ccc(Br)c(F)c1NCc1noc(C2CCC2)n1 901463737 VZXDAWZFXLZWEY-UHFFFAOYSA-N 344.159 3.990 0 50 EHAA C[C@H](c1noc([C@H]2CCCN(Cc3ccccc3)C2)n1)[C@@H]1CCCO1 903802509 DIHIZRFGPKKISO-SZMVWBNQSA-N 341.455 3.732 0 50 EHAA CCN(Cc1nc(C(C)C)no1)C(=O)c1cnoc1-c1ccccc1 952871653 AFTDYHIDSOJREC-UHFFFAOYSA-N 340.383 3.510 0 50 EHAA CCc1nccn1CCC(=O)NCc1cc(Cl)ccc1OC(C)C 952962290 BSZLUBPFKMVOGV-UHFFFAOYSA-N 349.862 3.593 0 50 EHAA C[C@]1(O)CCOC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 1704315892 QHGVJTGYYNXDML-INIZCTEOSA-N 343.389 3.601 0 50 EHAA COCc1ncc(C(=O)Nc2cccc(N3CCCCC3)c2C)s1 1875276374 SVGWPEPAMADSPO-UHFFFAOYSA-N 345.468 3.841 0 50 EHAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCC4(CCCCCC4)C3)n[nH]c21 1875293084 BTUQHWKFGHZJDT-KGLIPLIRSA-N 331.460 3.618 0 50 EHAA O[C@@H](Cc1cccc(F)c1)CN1CCC[C@@H]1c1ccc(F)cc1F 1875355844 BWUIUTNUDLWYGK-QFBILLFUSA-N 335.369 3.844 0 50 EHAA CC[C@H]1NCC[C@@H]1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2325735407 NPYDJJJAKJYAEY-DZGCQCFKSA-N 349.887 3.714 0 50 EHAA Cc1ccc(C[C@H](O)CN[C@H](CC(C)C)c2ccccn2)c(C)c1 2325842153 PTFXPNBMJIVVDC-PZJWPPBQSA-N 326.484 3.979 0 50 EHAA CC1CCC(Oc2ccnc(NC[C@H]3C[C@@H](n4ccnc4)C3)n2)CC1 2325855238 NVDNJTCWRWEUBB-HPZPOOBXSA-N 341.459 3.694 0 50 EHAA Cc1ncccc1CN1CCC[C@@]12CCCN(Cc1ccccc1)C2=O 2356137619 RZFWECSDBHBVSX-JOCHJYFZSA-N 349.478 3.547 0 50 EHAA CCSc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1 181484 MUDNMUVQQYOHEM-UHFFFAOYSA-N 329.400 3.926 0 50 EHAA Cc1cc(-c2ccccc2)nc2cc(C(=O)N3CCCCCC3)nn12 184348 LYVPEEGPKHYNNC-UHFFFAOYSA-N 334.423 3.721 0 50 EHAA O=C(O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 226828 RQMWBEVLHVOEIT-DTWKUNHWSA-N 345.708 3.895 0 50 EHAA COc1cccc2c1N1C(=O)c3c(C(=O)O)cccc3[C@@H]1CC2(C)C 235509 XZPACUICPVWESN-AWEZNQCLSA-N 337.375 3.776 0 50 EHAA biogenic O=C(COc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1 273372 SUMBUIOOYCQDNY-UHFFFAOYSA-N 336.347 3.549 0 50 EHAA C[C@@H](NC(=O)CSc1nc2ccc(N)cc2s1)c1ccccc1 282260 VYHDYRNVUKQUKH-LLVKDONJSA-N 343.477 3.848 0 50 EHAA O=C(Nc1ccc(F)cc1)Nc1nnc(Cc2ccccc2)s1 451736 YZBZPZJKKNQQKO-UHFFFAOYSA-N 328.372 3.912 0 50 EHAA O=Cc1ccc(OCc2ccc(I)cc2)cc1 453554 IMHKKJUCKKBNLE-UHFFFAOYSA-N 338.144 3.683 0 50 EHAA COC(=O)c1cccc(NC(=O)c2ccc(Br)s2)c1 2763362 NNRJTOOVNUELEM-UHFFFAOYSA-N 340.198 3.550 0 50 EHAA Cc1cc(Cl)ccc1S(=O)(=O)Oc1cccc2cccnc12 2978934 LHBKTVZSWMXYPD-UHFFFAOYSA-N 333.796 3.964 0 50 EHAA CCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Cl)c1 4113575 ZDWIJSRARRZDHM-HNNXBMFYSA-N 336.819 3.701 0 50 EHAA O=C(N[C@@H](Cc1ccccc1)n1nnc2ccccc21)c1ccccc1 6885284 DASPYCAGLGTBSW-HXUWFJFHSA-N 342.402 3.603 0 50 EHAA Cc1ccccc1Cn1cc(C(=O)N(C)CCCC2CCCC2)nn1 12717659 PGGVHPZFTYBMDN-UHFFFAOYSA-N 340.471 3.677 0 50 EHAA COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2cc(C)nn12 13645216 QDONASBRJAKTTL-UHFFFAOYSA-N 336.178 3.798 0 50 EHAA Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1Cl 16293581 IBUUYUJFLDBFCP-UHFFFAOYSA-N 332.806 3.750 0 50 EHAA O=C(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccco2)CC1 16605727 FZCBHRKIZLLHFK-UHFFFAOYSA-N 339.222 3.544 0 50 EHAA CCCc1cc(=O)[nH]c(-c2cccc(CN3CCCCCC3)c2)n1 48090877 VGNLMWZCIYBSMC-UHFFFAOYSA-N 325.456 3.765 0 50 EHAA CCn1nc(C)cc1C(=O)Nc1ccc(Cl)c(C(=O)OC(C)C)c1 55255299 DATOYYHWABUIJX-UHFFFAOYSA-N 349.818 3.682 0 50 EHAA O=C(c1cc(F)ccc1O)N1CCCC[C@@H]1CCc1ccc(O)cc1 55414340 WPQXTAVHEZUGCF-MRXNPFEDSA-N 343.398 3.864 0 50 EHAA COc1ccc(OC)c(-c2nc(CN3CCC(F)CC3)c(C)o2)c1 71746489 MGWWULFLLBAKRJ-UHFFFAOYSA-N 334.391 3.601 0 50 EHAA Cc1cccc2[nH]c(-c3cn(C)nc3-c3ccc4c(c3)OCCO4)nc12 72468072 UJMSJXYORYMLOV-UHFFFAOYSA-N 346.390 3.710 0 50 EHAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3nc(C)oc3C)C2)cc1 77503527 ZDWHMADFIOEKST-INIZCTEOSA-N 328.412 3.531 0 50 EHAA Cc1ccc(CN2CCCC[C@@H]2CCN2CCCC2=O)c(C)c1F 77539144 QWPYRSHKZDLDQG-GOSISDBHSA-N 332.463 3.810 0 50 EHAA Cc1ccnc([C@H](C2CC2)n2cc(-c3nc(C)n4ccccc34)nn2)c1 91505001 LCCZVIKOBSFDDY-FQEVSTJZSA-N 344.422 3.604 0 50 EHAA CC(C)=CC[C@@]1(CO)CCCN(Cc2ccc3nsnc3c2)C1 92062201 SOYAESOWRANTSH-SFHVURJKSA-N 331.485 3.622 0 50 EHAA CC(=O)c1ccc(NC(=O)N(CCCCO)Cc2ccccc2)cc1 95510351 GUXOKNXDFMTGGL-UHFFFAOYSA-N 340.423 3.696 0 50 EHAA C[C@@H]1CCCCN1C1CN(C(=O)Nc2cc(F)cc(F)c2Cl)C1 97604135 PKJMATZGPLZDMP-SNVBAGLBSA-N 343.805 3.709 0 50 EHAA C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc3ccccc3n2)C1=O 100572692 CCHODWZWDSSKRR-PBHICJAKSA-N 330.387 3.918 0 50 EHAA O=c1c2ccccc2nc(S)n1[C@H]1CCOC2(CCCCC2)C1 128444903 KXXIUXWDAYSIAK-ZDUSSCGKSA-N 330.453 3.740 0 50 EHAA CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@H](O)c1ccc(F)c(F)c1 133590786 PPGMLTSSYZUNEL-SFHVURJKSA-N 343.377 3.520 0 50 EHAA O=C(Nc1ccccc1Cl)N[C@H]1CCN(C(=O)C2CCCCC2)C1 151910089 PPCAYULKCHDFOG-AWEZNQCLSA-N 349.862 3.643 0 50 EHAA Cc1ccc2oc(C(=O)NC[C@@H](O)c3ccc(Cl)c(F)c3)cc2c1 155318613 SAFFNZXGUPZGKH-OAHLLOKOSA-N 347.773 3.997 0 50 EHAA O=C1C[C@@H](c2noc(-c3ccccc3F)n2)CN1C1CCCCC1 169762152 ACWNPWWAESBZRA-GFCCVEGCSA-N 329.375 3.524 0 50 EHAA Cc1ccc2oc(C(=O)NC3(c4nccs4)CCCC3)cc2n1 172255495 PMNCKYQYYFLSEH-UHFFFAOYSA-N 327.409 3.792 0 50 EHAA COc1cccc(C)c1NC(=O)N1CCCN(c2ccccc2)CC1 195029200 MRAZPRRIJCXJAE-UHFFFAOYSA-N 339.439 3.748 0 50 EHAA Cc1nc([C@H]2CCCN(Cc3ccc4cccc(Cl)c4n3)C2)no1 216304245 PVABQHPRNRMGNE-AWEZNQCLSA-N 342.830 3.959 0 50 EHAA CN(Cc1cnc2ccccc2c1)C(=O)Cc1ccc(F)cc1F 222561680 YTRKGMZZSIWAEJ-UHFFFAOYSA-N 326.346 3.714 0 50 EHAA C[C@@H](O)C[C@H]1CCCCN1CCc1nc(-c2cccc(Cl)c2)no1 225729082 RILFARAQJKSPHG-CZUORRHYSA-N 349.862 3.558 0 50 EHAA Cc1ccc([C@@H]2COCCN2C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 229813993 DXWAOUDEYFORSB-MJBXVCDLSA-N 345.361 3.857 0 50 EHAA CC(C)Oc1ncccc1C(=O)Nc1ncc(-c2ccccc2)cn1 239882261 DATAAKVOCUQOQO-UHFFFAOYSA-N 334.379 3.578 0 50 EHAA O=S(=O)(c1cccc2c1N=S=N2)N1CC[C@@H]2CCCC[C@H]2C1 247294976 CFYFNLFFUUENBS-RYUDHWBXSA-N 337.470 3.614 0 50 EHAA COCc1ncsc1C(=O)N1CCCc2cc(Cl)cc(C)c21 252482619 DLGXBPTYXZCLAV-UHFFFAOYSA-N 336.844 3.844 0 50 EHAA CCc1nnc([C@@H](C)N(CC)Cc2ccccc2Br)o1 252494315 NRTDIAFNMUHFSF-LLVKDONJSA-N 338.249 3.978 0 50 EHAA COCCOC1CCC(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C)CC1 281218827 OFJZQXBXXUKWFV-ZPQVWODMSA-N 345.483 3.648 0 50 EHAA Cc1ccc2[nH]c([C@H](NC(=O)c3cc(C(F)F)n[nH]3)C(C)C)nc2c1 299788866 TZNFWFUKIVUGLV-CQSZACIVSA-N 347.369 3.659 0 50 EHAA C[C@H](NC(=O)NCc1ccn(C)c1)c1ccccc1C(F)(F)F 357851648 BRQLJHLZFKVRCG-NSHDSACASA-N 325.334 3.604 0 50 EHAA Cn1nccc1-c1ccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)cc1 426376302 JOKYGAHKCQSMLW-UHFFFAOYSA-N 334.423 3.708 0 50 EHAA COc1ccc(CN(C(=O)NCc2cnc(C)cc2C)C2CC2)cc1 459104244 BRRIDNQCKQRQAA-UHFFFAOYSA-N 339.439 3.581 0 50 EHAA O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NC1CCN(Cc2ccc(F)cc2)CC1 534664738 NNYHOOMOPHIAKH-SQNIBIBYSA-N 342.458 3.509 0 50 EHAA Fc1ccc(OC[C@@H]2CCCO2)c(-c2cncc(-c3ncc[nH]3)c2)c1 649428808 BRRPDUWJYHYGHX-INIZCTEOSA-N 339.370 3.836 0 50 EHAA CC(C)OCc1cccc(-c2nc(C(F)(F)F)c(C(=O)O)o2)c1 874969876 HEBFVYNLXWJKBD-UHFFFAOYSA-N 329.274 3.984 0 50 EHAA c1cnc([C@H]2CCCCN2c2ncnc3c2oc2ccccc23)nc1 895974282 DMPMTZXLORUWMG-CQSZACIVSA-N 331.379 3.898 0 50 EHAA Cc1cc([C@H]2CCCN(C(=O)c3ccccc3-n3cccc3)C2)n[nH]1 935852669 QNZCBBBPHOLMHV-INIZCTEOSA-N 334.423 3.529 0 50 EHAA COc1ccccc1[C@@H](C)N1CCN(C(=O)CC(C)(C)C2CC2)CC1 952845300 QNZYFWWJGIELFD-MRXNPFEDSA-N 344.499 3.727 0 50 EHAA CCCC[C@@H](c1cccnc1)N(C)C(=O)c1cnc(SC)nc1 952969842 AYJVGWOSFJFNGT-HNNXBMFYSA-N 330.457 3.597 0 50 EHAA COc1cccc(-c2nc(N(C[C@@H](C)O)C3CC3)c3ccccc3n2)c1 1163624708 WZQYYQVCONEJEB-CQSZACIVSA-N 349.434 3.655 0 50 EHAA CCc1cc(NC(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)no1 1334120029 BUJLRRNCJUPWTC-IBGZPJMESA-N 339.395 3.709 0 50 EHAA O=C1C[C@@H](C(=O)Nc2nc3c(F)cccc3s2)C2(CCCCC2)O1 1529187252 QNKPRYRFFRXBHB-JTQLQIEISA-N 348.399 3.640 0 50 EHAA CCCOc1ccccc1-c1nnc(N(C)Cc2c(C)noc2C)o1 1772712809 ZGUMGJDVURGILU-UHFFFAOYSA-N 342.399 3.767 0 50 EHAA Fc1cccc(C2(Cn3ccnc3-c3cccnc3)CCOCC2)c1 1857668024 JAQWEDKZJSBHSM-UHFFFAOYSA-N 337.398 3.833 0 50 EHAA Cc1cc(C)n(-c2ccc(C(=O)Nc3snc4ncccc34)cc2)n1 1875261675 GXJMQSPAJZAASM-UHFFFAOYSA-N 349.419 3.746 0 50 EHAA O=C(N=c1ccn([C@@H]2CC2(F)F)[nH]1)Nc1ccc(F)cc1C1CC1 1875307182 WAADXVNNFQVMAI-CYBMUJFWSA-N 336.317 3.546 0 50 EHAA C[C@@H]1CO[C@@H](CN(C)c2nc(-c3cccnc3)nc3ccccc23)C1 1875332940 RRLBAUDNVBFGNJ-GOEBONIOSA-N 334.423 3.553 0 50 EHAA C[C@H]([C@@H]1Cc2ccccc21)N(C)S(=O)(=O)[C@H]1C[C@H]1c1ccccc1 1875362898 YECHLJHGXQIMOR-DPZWOIPNSA-N 341.476 3.533 0 50 EHAA Cc1ccccc1N1C(=O)c2cccc3c(C(=O)O)ccc(c23)C1=O 97004 SQAIVGHGCRVFGY-UHFFFAOYSA-N 331.327 3.647 0 50 EHAA CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(C(=O)O)c1 469709 LMBXEPRXLSRWDK-ZDUSSCGKSA-N 327.380 3.916 0 50 EHAA CCc1c(C)sc(NC(=O)OC)c1C(=O)NCc1ccccc1 1054309 JSYZFNYUXMERNO-UHFFFAOYSA-N 332.425 3.727 0 50 EHAA CC1=CC2(CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)OCC1 2356135625 MQDJCTOLETVVEO-UHFFFAOYSA-N 338.451 3.828 0 50 EHAA CCOC(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F 2272836 HUVRQHOKHPHQPS-UHFFFAOYSA-N 330.228 3.666 0 50 EHAA CCc1ccccc1NC(=O)N1CCC[C@]12CCCN(C(C)C)C2=O 2356152369 GRJWNCWZDJOAEE-FQEVSTJZSA-N 343.471 3.646 0 50 EHAA CC[C@]1(O)CCC[C@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]21 2356158754 YAHTVVOARBOOPP-CVAIRZPRSA-N 343.446 3.589 0 50 EHAA O=C1N(C2CC2)CCC[C@]12CCCN2Cc1c(F)cccc1Cl 2356166132 PHZRRQDTWDUNFD-GOSISDBHSA-N 336.838 3.599 0 50 EHAA Cc1ccc(-c2noc(CNC(=O)c3ccccc3Cl)n2)cc1 4851275 XCEHHMYDGBXAJT-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C)c1 4857404 HQTFOKVWHZXZQB-GOSISDBHSA-N 349.386 3.593 0 50 EHAA CC[C@@H](C)c1ccc([C@H](C)NC(=O)C2CCN(C(C)=O)CC2)cc1 6727066 LYWHNFLXHJJYDC-CABCVRRESA-N 330.472 3.636 0 50 EHAA Cc1ccc2nc(C)c(C(=O)N(C)CCC[C@H]3CCCO3)cc2c1 55414620 GREQLSVNMYIYCB-KRWDZBQOSA-N 326.440 3.883 0 50 EHAA c1ccc([C@H](CCn2ccnc2)n2ccnc2-c2cccnc2)cc1 67946546 RTEFMQWZZPYNOF-IBGZPJMESA-N 329.407 3.821 0 50 EHAA CCc1ccc(Cn2nnc(C(=O)Nc3ccccc3C)c2C)cc1 252490189 KLLGSGRSJHZMTD-UHFFFAOYSA-N 334.423 3.758 0 50 EHAA C[C@@]1(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)CC1(Cl)Cl 2089732 OAUXDTCKIKSJRI-AWEZNQCLSA-N 342.201 3.593 0 50 EHAA COc1ccc(C)nc1NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 354914144 AZWDNWIXOCLNKI-ZDUSSCGKSA-N 345.830 3.517 0 50 EHAA c1cncc(CO[C@H]2CCCN(Cc3cccc4cnccc34)C2)c1 72152870 VDDPABGQTFWKMR-FQEVSTJZSA-N 333.435 3.811 0 50 EHAA Fc1ccccc1-c1cnnc(NCCCN2CCc3ccccc32)n1 12299189 ZMJGDTUMJAMZGT-UHFFFAOYSA-N 349.413 3.542 0 50 EHAA CC(C)c1ccc(OCn2ccc(C(=O)Nc3ccncc3)n2)cc1 6239372 GWAFMMKQHPOBTC-UHFFFAOYSA-N 336.395 3.690 0 50 EHAA Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(Cc3ccncc3)C2)cc1 77504899 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3.838 0 50 EHAA CCc1ocnc1C(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 12458027 CNEQPGZWTSYFRH-INIZCTEOSA-N 348.406 3.501 0 50 EHAA COc1ccc(Br)cc1CNc1ccc2c(c1)OCO2 23283501 QLIQVFCMYSQULF-UHFFFAOYSA-N 336.185 3.799 0 50 EHAA Cc1ccc(Cc2nnc(NC(=O)N(C)Cc3ccco3)s2)cc1 48218446 BXSFLVBVUIDSIT-UHFFFAOYSA-N 342.424 3.694 0 50 EHAA C1=C[C@@]2(CCCN(Cc3cnn4cccnc34)CC2)Oc2ccccc21 65406433 ZXMSONIUYVJXKE-OAQYLSRUSA-N 346.434 3.560 0 50 EHAA CCc1ccc(-c2c(-c3ccccc3)ncn2CCN2CCCC2=O)o1 65406637 GBVLUTOQAIVEPG-UHFFFAOYSA-N 349.434 3.995 0 50 EHAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccc[nH]3)CC2)c1 67689120 AGFSOVJORAUPAT-UHFFFAOYSA-N 334.423 3.733 0 50 EHAA Cc1nc2sccn2c1CN1CCC[C@H]1c1nc(C(C)C)no1 77452307 FTMZRRDECGTOED-LBPRGKRZSA-N 331.445 3.548 0 50 EHAA CC(C)c1nc(CN(C)C(=O)CCc2ccc3c(c2)OCO3)cs1 82087437 ZXBARVWCGLWJAR-UHFFFAOYSA-N 346.452 3.586 0 50 EHAA Cc1ccccc1OC1CN(C(=O)c2ccc3cccc(F)c3n2)C1 82087516 MUEQTRADESVBBJ-UHFFFAOYSA-N 336.366 3.586 0 50 EHAA Cc1cc(CNC(=O)CCc2scnc2C)c(C(F)(F)F)o1 82119937 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COc1ccccc1OCCC(=O)N1CCC[C@@H]1c1ccc(C)o1 265317377 ZYVAXYSLJFQAJS-OAHLLOKOSA-N 329.396 3.729 0 50 EHAA CC(C)c1noc([C@H](NC/C=C/c2ccccc2)C2CCOCC2)n1 328640527 XKCICFFLDTXEHB-AHKGRUIUSA-N 341.455 3.964 0 50 EHAA CN(C/C=C/c1ccccc1)C(=O)N[C@@H]1COC2(CCCCC2)C1 426440265 JDROWXQPIHNETG-MZEUMTGBSA-N 328.456 3.833 0 50 EHAA COc1ccccc1CN(C(=O)NC[C@H]1CCCCO1)C1CCCC1 426674424 YSCGDUMQDHMAPW-GOSISDBHSA-N 346.471 3.719 0 50 EHAA O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)N1C[C@H]2C[C@H]2C1 887602960 NWPSENDVNDJKDR-ZIFCJYIRSA-N 345.446 3.961 0 50 EHAA CCC(C)(C)N1CCN(C(=O)Nc2ccc(C(=O)C(C)C)cc2)CC1 888093905 GTMNRVHIXCUZRP-UHFFFAOYSA-N 345.487 3.863 0 50 EHAA Cc1ncc(CN2CCC[C@@H](CNc3ccc(Cl)cc3)C2)n1C 896735097 YOIVHFYWTJCYEZ-HNNXBMFYSA-N 332.879 3.706 0 50 EHAA O=C([C@@H]1COc2ccccc2C1)N(c1nc2ccccc2o1)C1CC1 905872985 USZOHKIHHLHLSF-AWEZNQCLSA-N 334.375 3.575 0 50 EHAA CC(C)(C)c1ccc(OCc2nc([C@H]3CC34CCNCC4)n[nH]2)cc1 952967599 ZTMAWMDYAIGYIT-MRXNPFEDSA-N 340.471 3.538 0 50 EHAA O=C(c1ccncc1Cl)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529126859 SYBROGXAVPJBIU-ZWKOTPCHSA-N 342.826 3.727 0 50 EHAA CN1C[C@H](n2ccnc2-c2cccc(OCc3ccccc3)c2)CC1=O 1857670753 YPXCDYHCCFWFHX-GOSISDBHSA-N 347.418 3.532 0 50 EHAA O=C(NCc1nc2ncccc2o1)[C@@H](c1ccccc1)C1CCCC1 1857682659 LHEHUHBMPZHSMW-SFHVURJKSA-N 335.407 3.813 0 50 EHAA c1cc([C@H]2CCCN(Cc3nc(C4CCCC4)no3)CC2)ccn1 1875281442 BGCNWRHBTLEPHL-HNNXBMFYSA-N 326.444 3.892 0 50 EHAA C[C@H](c1nc(-c2ccncc2)nn1CC1CC1)N1CCCCCC1 1875336052 QZWBKIUEYBINQO-OAHLLOKOSA-N 325.460 3.687 0 50 EHAA CCOC[C@H](Cc1ccc(F)cc1F)N[C@H](C)CCc1ccccn1 1875359835 RDXUGEKOABOUIT-BEFAXECRSA-N 348.437 3.918 0 50 EHAA O=C(NCC1(c2ccccc2F)CCC1)C1C[C@H]2CC(O)C[C@H](C1)C2 1875369878 NRRWCANJBTYPDM-JUVOFCAFSA-N 345.458 3.551 0 50 EHAA COc1ccc2c(c1)CCC[C@@H]2C(=O)OCc1cncc(Cl)c1 2325855036 FPYNKPRSKBZKBA-KRWDZBQOSA-N 331.799 3.907 0 50 EHAA CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc(C)c1C 35590 QCODLJVDBQPQFN-UHFFFAOYSA-N 347.392 3.523 0 50 EHAA COc1cc(-c2nnc3ccc4ccccc4n23)cc(OC)c1OC 88955 PANMTAMUYJKQGQ-UHFFFAOYSA-N 335.363 3.575 0 50 EHAA CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(C)=O)c1C 138978 ZPXARAMZTWNBOQ-UHFFFAOYSA-N 349.383 3.827 0 50 EHAA CC1(C)C(=O)O[C@@H](C(=O)c2ccc(C(C)(C)C)cc2)C(C)(C)C1=O 303429 QQGWTRBFXOJBBD-HNNXBMFYSA-N 330.424 3.714 0 50 EHAA CCc1ccc(C(=O)CSc2nnnn2-c2cccc(C)c2)cc1 390382 SWZBNENZFNLASN-UHFFFAOYSA-N 338.436 3.508 0 50 EHAA O=C(NC(=S)Nc1ccc(Br)cc1)C1CCCCC1 458754 PYJDWYRNFGYXAQ-UHFFFAOYSA-N 341.274 3.842 0 50 EHAA Cc1ccc(Cl)cc1N1CCN(C(=S)NC2CCCC2)CC1 477809 CXIOEOIOFNCFJG-UHFFFAOYSA-N 337.920 3.588 0 50 EHAA CC1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 568439 YVSAAIGONXUHAI-UHFFFAOYSA-N 338.407 3.904 0 50 EHAA CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl 967721 ZZYSLNWGKKDOML-UHFFFAOYSA-N 333.863 3.863 0 50 EHAA biogenic,in-vitro O=C1C[C@@H](c2ccco2)Cc2c1cnn2-c1nc2ccccc2s1 2334499 LYPVRPORVCNRQW-NSHDSACASA-N 335.388 3.988 0 50 EHAA O=C(O)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 2770813 SWWLTWBWFAYFLF-UHFFFAOYSA-N 347.705 3.828 0 50 EHAA CC(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 2858697 AVSTUINDWWACCK-SFHVURJKSA-N 342.483 3.607 0 50 EHAA Nc1c(Br)cc(Br)cc1OC(F)(F)F 4245011 KJEAYONMSVJIRV-UHFFFAOYSA-N 334.917 3.692 0 50 EHAA COc1ccc(-c2cnn(-c3cccc(Cl)c3)c2N)cc1OC 4828658 OVGDNUNYHVFZIQ-UHFFFAOYSA-N 329.787 3.792 0 50 EHAA CCc1nnc(NC(=O)CCc2ccc(-c3ccccc3)o2)s1 4856234 UBSYOGGPLVTZDR-UHFFFAOYSA-N 327.409 3.932 0 50 EHAA CCCN1Cc2cccc(C(=O)N[C@@H](C)c3cccs3)c2C1=O 5005854 DLBKVXYIDRCQHY-LBPRGKRZSA-N 328.437 3.605 0 50 EHAA CCc1cc(C(=O)OC)c(NC(=S)NCc2ccc(C)cc2)s1 6708500 XGCYRXQRJBOYJI-UHFFFAOYSA-N 348.493 3.892 0 50 EHAA COc1ccc(CC(=O)Nc2nc3ccc(C)cc3s2)cc1OC 8974646 OVMNVRZNNRHGKM-UHFFFAOYSA-N 342.420 3.803 0 50 EHAA O=C1CC[C@H](CCNCc2ccccc2F)N1C[C@H]1C[C@@H]2C=C[C@H]1C2 12280755 UQVRBEAGRHMJEP-UKBAYJJMSA-N 342.458 3.509 0 50 EHAA COC(=O)c1cc2c(=O)n(-c3ccc(C(C)C)cc3)ccc2nc1C 12296986 WAPCXUKMZGYIFH-UHFFFAOYSA-N 336.391 3.604 0 50 EHAA biogenic O[C@H](COc1ccccc1-c1ccccc1)CN1CCCCCC1 12420090 XUYIFIILHXKFPN-IBGZPJMESA-N 325.452 3.969 0 50 EHAA CCn1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c(C)n1 12759329 CAGJMSPGJVCJNG-MRXNPFEDSA-N 345.874 3.960 0 50 EHAA Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)C1CCC1 15067807 NYROSFPNYQIOJS-ZDUSSCGKSA-N 330.476 3.531 0 50 EHAA FC(F)Oc1ccc(I)c(Br)c1 15444643 XFABSMJJAYAEDX-UHFFFAOYSA-N 348.912 3.655 0 50 EHAA Nc1c(-c2nc(-c3ccc(F)cc3)cs2)nnn1-c1ccccc1 17070387 NSRSGEUKHUSHOS-UHFFFAOYSA-N 337.383 3.779 0 50 EHAA Cc1ccc(C(=O)N[C@@H](N2CCCC2)C(Cl)(Cl)Cl)cc1 19799178 GUYBVLYAQQGDQY-ZDUSSCGKSA-N 335.662 3.517 0 50 EHAA COc1ccc(-c2nc(CN3C[C@H](C)O[C@H](C)C3)c(C)o2)cc1C 20537971 UACLYFPLOHDTNZ-OKILXGFUSA-N 330.428 3.576 0 50 EHAA Cc1cccc2c(=O)n(CC[C@@H]3CCCCN3C3CCCC3)cnc12 32580947 KRNVTGFXKJQBFW-SFHVURJKSA-N 339.483 3.892 0 50 EHAA CN1CC[C@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 36998937 MOJZPKOBKCXNKG-MAUKXSAKSA-N 343.398 3.669 0 50 EHAA biogenic CC[C@H](C)N(Cc1cccnc1)C(=O)c1ccccc1-n1cccn1 55253024 CGTBMKJCRRSZDL-INIZCTEOSA-N 334.423 3.708 0 50 EHAA Cc1ccsc1CNc1ccccc1C(=O)N(C)Cc1ccn[nH]1 55271724 NWIBSDASYMSWPK-UHFFFAOYSA-N 340.452 3.664 0 50 EHAA Cc1cc(C)c2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C)c3)nc2c1 63871788 RNERIVUWMNRUMG-OAHLLOKOSA-N 348.450 3.877 0 50 EHAA CC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1ccnc2ccccc12 65375175 VFGRTAJNBNNYAM-KRWDZBQOSA-N 331.375 3.667 0 50 EHAA Cc1cc(CNC(=O)c2cc(C(C)C)nn2C)c2[nH]c(C)c(C)c2c1 71762441 FOEQRVMBBKEYLX-UHFFFAOYSA-N 338.455 3.880 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)NCCCSC1CCCCC1 82098066 XETZYECTYRWTSN-UHFFFAOYSA-N 337.533 3.542 0 50 EHAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NC1(CO)CCCCCC1 91441149 OYBPMLLBNDLQSQ-UHFFFAOYSA-N 342.483 3.837 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)NCC1(c2ccccc2)CCOCC1 91444964 CKYYJCLLEUPPEX-IBGZPJMESA-N 349.474 3.971 0 50 EHAA Cc1noc(C)c1CN1CCC[C@@H](c2nccn2CC2CCC2)C1 95383218 KLVKBIHENKDIFO-QGZVFWFLSA-N 328.460 3.668 0 50 EHAA C[C@]1(c2nc(Cc3cccs3)nn2CC(F)(F)F)CCCO1 96149212 UPRDUPVMSWYFJL-CYBMUJFWSA-N 331.363 3.518 0 50 EHAA CCc1cccc(OC2CN(C(=O)c3ccccc3-c3ncc[nH]3)C2)c1 97514447 INWZJROOYSBXKY-UHFFFAOYSA-N 347.418 3.543 0 50 EHAA CC1(C)C[C@H](C(=O)NCCSCc2cccc(Cl)c2)CCO1 97813850 RTKFHQFKFZCDKU-CQSZACIVSA-N 341.904 3.895 0 50 EHAA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 100173690 TUMNSUSTJTUGPT-QQXRRDQMSA-N 341.716 3.670 0 50 EHAA Cc1csc(N(CC(F)(F)F)C(=O)[C@H]2COc3ccccc32)n1 113034883 CGAAADLPIRHWNC-NSHDSACASA-N 342.342 3.523 0 50 EHAA Cc1nc(NCC[S@@](=O)Cc2ccccc2)c2c(C)csc2n1 124290836 JSYIWKBCNJPHFE-QHCPKHFHSA-N 345.493 3.669 0 50 EHAA O=C(c1csnn1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 132253773 DEQKIZHICRVCDS-SFHVURJKSA-N 335.432 3.520 0 50 EHAA CC[C@H]1CCCCCN1C(=O)c1cc(N2CCCC2=O)ccc1F 157196934 PIYYZVRLLTWKJX-AWEZNQCLSA-N 332.419 3.747 0 50 EHAA C[C@](CC(=O)O)(C(=O)Nc1ccc2cn[nH]c2c1)C1CCCCC1 169975479 JMIZWBYTMAHJEU-GOSISDBHSA-N 329.400 3.563 0 50 EHAA CCOc1cc(C(=O)N(C)C)ccc1NCc1cc(C)ccc1OC 170653799 NDVPRMQEQGSTOP-UHFFFAOYSA-N 342.439 3.716 0 50 EHAA C[C@H](C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1)[C@@H](C)N 192061287 UGPSIFYLTHTCEX-DTWKUNHWSA-N 343.374 3.751 0 50 EHAA Cc1ccc(C(=O)N2CC[C@]3(C2)OCc2ccccc23)c(Cl)c1 192391204 CLYWHGSRAQMEPM-LJQANCHMSA-N 327.811 3.920 0 50 EHAA COCCN(Cc1ccccc1-c1ccc(C)o1)C[C@H]1CCCO1 216523378 YWMNXMIUZQOKJP-GOSISDBHSA-N 329.440 3.882 0 50 EHAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C)CC[C@H]1CCCO1 230063090 FUJUXBFEPOTUID-IIAWOOMASA-N 339.863 3.880 0 50 EHAA C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 242196998 XGVKFICAMNGJBL-TYCQWZJGSA-N 349.478 3.527 0 50 EHAA CSc1cccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1C 253418016 UZUYPOCFNXNSRI-KBXCAEBGSA-N 334.485 3.876 0 50 EHAA Cc1ccc(CC[C@H](C)NC(=O)N2CCC[C@H]2c2ccncc2)o1 253420080 LGEBRPFCWVLINH-KSSFIOAISA-N 327.428 3.851 0 50 EHAA COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)Cc1cc(C)on1 286945176 MFUILALLKBWDFT-CXAGYDPISA-N 328.412 3.534 0 50 EHAA CC(C)Oc1ccc([C@@H](C)NC(=O)c2cn(C)nc2C2CC2)cc1 290837648 YOBXSAGHSVOZJL-CYBMUJFWSA-N 327.428 3.576 0 50 EHAA CC1(C)CN(C(=O)c2cc(-c3ccccc3)[nH]n2)[C@H]1c1cccnc1 292434323 LZUMATPEGKTXDR-SFHVURJKSA-N 332.407 3.695 0 50 EHAA O=C(COCC(F)(F)C(F)F)N[C@@H]1CCCC[C@H]1c1ccccc1 299790641 BZDAENKNNSSVKQ-UONOGXRCSA-N 347.352 3.746 0 50 EHAA Cc1n[nH]c(C)c1CC(=O)N1CCc2cc(-c3ccccc3)ccc21 409683240 BUHQFBYHRSMEAT-UHFFFAOYSA-N 331.419 3.825 0 50 EHAA C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)CCc1ccncc1 421928508 WYWGFGPQAPWTGI-HXUWFJFHSA-N 326.415 3.777 0 50 EHAA Cc1nc2ccccn2c1CN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 903422548 OTJQNQBVRFCPEZ-ZDUSSCGKSA-N 348.450 3.723 0 50 EHAA C[C@@H]1CCCN(c2ccc(Cl)cc2NC(=O)c2cncn2C)C1 952870123 SIKHKANHNJQUBH-GFCCVEGCSA-N 332.835 3.562 0 50 EHAA COC(=O)c1sccc1C(=O)N1CC(c2ccccc2)(C(C)C)C1 1299476351 QXDPSJGGLMPYEN-UHFFFAOYSA-N 343.448 3.585 0 50 EHAA CCc1nn(C)c(NC(=O)c2cccc(NC(=O)[C@H](C)CC)c2)c1C 1529141922 SZIPQRTWJMYELW-GFCCVEGCSA-N 342.443 3.528 0 50 EHAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H](C)n1cc(Cl)cn1 1875253706 CYSGRZXDKLBISJ-BXUZGUMPSA-N 335.835 3.829 0 50 EHAA Cc1cccnc1[C@@H]1CCN(C(=O)c2c[nH]nc2C2CCCCC2)C1 2325808630 NCEBZJANDDPRDP-MRXNPFEDSA-N 338.455 3.791 0 50 EHAA C[C@H](Cc1ccc(Cl)cc1Cl)Nc1ncnc2[nH]c(=N)ccc12 2325825258 JXYNTPVOKGTXQV-SECBINFHSA-N 348.237 3.787 0 50 EHAA Cc1cnc(Cl)cc1NC(=O)N=c1cc(CC2CCCCC2)[nH][nH]1 2325840777 PXHWJSBWQXQXAI-UHFFFAOYSA-N 347.850 3.955 0 50 EHAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 433155 RBCKSRIYZPTARA-LLVKDONJSA-N 333.771 3.783 0 50 EHAA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1F 3563857 ANBQLVYBHGFOJO-UHFFFAOYSA-N 326.371 3.704 0 50 EHAA CCN(CC)C/C=C/c1c(F)c(F)c(NCCOC)c(F)c1F 5065519 FPDJWSWNZYJZHE-VOTSOKGWSA-N 334.357 3.656 0 50 EHAA CC[C@@H](C(=O)NCc1nc(-c2cccc(C)c2)no1)c1ccccc1 6697229 IXZACZWLGXEFMX-QGZVFWFLSA-N 335.407 3.855 0 50 EHAA COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2cnc(C)s2)C1 19792445 DKCSDHNRKBEQHY-CYBMUJFWSA-N 348.443 3.694 0 50 EHAA CN(Cc1ccon1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 23541869 SEPUIXINVCFTII-QGZVFWFLSA-N 347.890 3.715 0 50 EHAA CCCc1cc(CNC(=O)CCSCc2ccc(F)cc2)on1 65465991 MSIWPFHYMRBZEB-UHFFFAOYSA-N 336.432 3.706 0 50 EHAA Fc1cccnc1NCc1cccnc1N1CCc2ccccc2C1 67742451 GIXNTOXMBYXWDW-UHFFFAOYSA-N 334.398 3.791 0 50 EHAA Cc1ccc(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)cn1 82107004 AAPAWSVRBUXRHU-UHFFFAOYSA-N 334.423 3.595 0 50 EHAA CCn1nc(CC(C)C)cc1C(=O)N[C@H](C)c1ccc(OC)c(F)c1 91617032 BKVWIVXJQUNQOT-CYBMUJFWSA-N 347.434 3.740 0 50 EHAA C[C@H](c1ccco1)n1cc(-c2cc(CN3CCCC3)cs2)nn1 91872633 MWBAHXQQCGKHBE-CYBMUJFWSA-N 328.441 3.805 0 50 EHAA Cc1nc(C)c(C)c(NCc2ccc(C(=O)N3CCCCC3)cc2)n1 91914845 FMWFQSRCSJEPQN-UHFFFAOYSA-N 338.455 3.640 0 50 EHAA CC(C)(C)[C@@H]1CCCN(C(=O)NC2CCC3(CC2)OCCO3)CC1 116528702 MUOBUTVBROLQBS-OAHLLOKOSA-N 338.492 3.530 0 50 EHAA Cc1c(CNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)oc2ccc(F)cc12 119487468 TYORRBCAGYDNBP-RHSMWYFYSA-N 346.402 3.637 0 50 EHAA CC(=O)Nc1ccccc1OCc1nn(-c2ccccc2)c2c1CCC2 121527476 NWGZLAOTQAUHGR-UHFFFAOYSA-N 347.418 3.898 0 50 EHAA CC(C)n1c(S)nnc1C1CCN(C(=O)C2=CCCCCC2)CC1 131052003 UEKJNMDOXBBKOP-UHFFFAOYSA-N 348.516 3.744 0 50 EHAA CC(=O)Nc1cccc(CNC(=O)CCc2c[nH]c3c(C)cccc23)c1 151067967 GBWCVAUBOWPDIX-UHFFFAOYSA-N 349.434 3.684 0 50 EHAA Cc1ccccc1-n1nccc1NC(=O)C[C@@H](C)c1c(C)noc1C 154790202 DHHVKYLZIKTNIU-CYBMUJFWSA-N 338.411 3.918 0 50 EHAA Cc1nc(C2(NC(=O)c3cc4c(s3)CCCCCC4)CCC2)no1 170615111 AYNMITWXOCYMER-UHFFFAOYSA-N 345.468 3.908 0 50 EHAA COc1cc(C)cc2c1OCC[C@H]2NC(=O)N1CCC[C@H]1C(C)C 170616936 ADLQHAXXJLWORW-CVEARBPZSA-N 332.444 3.657 0 50 EHAA C[C@H](NC(=O)CC1CCC(C)(C)CC1)c1ccc2c(c1)NC(=O)CO2 179098231 VLEGCUIGQDQVET-ZDUSSCGKSA-N 344.455 3.801 0 50 EHAA C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c(F)c2)c2cccnc2O1 188069128 PNKHGVKMHLUVRJ-SECBINFHSA-N 340.276 3.667 0 50 EHAA CCN(Cc1noc(C2CC2)n1)C(=O)c1ccc(-c2ccco2)cc1 219654476 UBKUBZFPUKGMOD-UHFFFAOYSA-N 337.379 3.869 0 50 EHAA CCc1ccc(CN(C)C(=O)c2ccc(N3CCCCC3)cc2)nc1 223332317 MLGIJOKDUMWGTH-UHFFFAOYSA-N 337.467 3.907 0 50 EHAA CC[C@H](C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)c1c(C)noc1C 225399132 OFJMZGIXUJWLOT-LJHODMEESA-N 343.471 3.593 0 50 EHAA CC(C)[C@@H](NC(=O)CC1(C(=O)O)CCCCCC1)c1ccccn1 225404323 GQSVSCGUJAFNMS-QGZVFWFLSA-N 332.444 3.710 0 50 EHAA COCCc1nsc(Oc2ccc(C)cc2Br)n1 225543453 FSFIAVGAHYGNIY-UHFFFAOYSA-N 329.219 3.590 0 50 EHAA C[C@H](C[C@H](O)c1ccco1)NC(=O)N[C@H](c1ccc(F)cc1)C1CC1 230099079 YOJFZBZGVIGODK-PUECVXPYSA-N 346.402 3.681 0 50 EHAA COC(=O)N1CCC[C@H](C(=O)N2[C@@H](C)CCC[C@H]2c2ccccc2)C1 242339305 ZGRLBUCIKHGDQA-SZMVWBNQSA-N 344.455 3.607 0 50 EHAA Cc1cccnc1C[C@@H](C)N(C)Cc1nnc(-c2cccc(F)c2)o1 243892629 AJTFBCHQARYMQF-CQSZACIVSA-N 340.402 3.642 0 50 EHAA CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CCOc2c(F)cccc21 252549652 RODVYXRDMYVSJG-MRXNPFEDSA-N 345.418 3.945 0 50 EHAA O=C(NCc1cccnc1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 275143345 QNQFKUARBNZYOI-VAMGGRTRSA-N 335.451 3.949 0 50 EHAA CC[C@@H](NC(=O)c1cn(C2CC2)c(C)cc1=O)c1ccc(F)cc1F 282922666 CGDITLJMKFCVMN-QGZVFWFLSA-N 346.377 3.651 0 50 EHAA CCO[C@@H](C)CN(C)C(=O)Nc1ccccc1Oc1cccnc1 299796884 NTGGZSVTJIPRKA-AWEZNQCLSA-N 329.400 3.763 0 50 EHAA C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCCc2occc2C1 344294305 UAWCXKKNWNHXQD-ZDUSSCGKSA-N 348.393 3.526 0 50 EHAA Cc1noc(C)c1Cc1noc(Cc2coc(-c3cccs3)n2)n1 350485135 RLHKVQIBBJZYJT-UHFFFAOYSA-N 342.380 3.573 0 50 EHAA O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cc(O)ccc1Cl 368101429 UCSUAZPIGXKRPJ-CQSZACIVSA-N 344.842 3.692 0 50 EHAA CC[C@@H](NC(=O)N1CCCC2(CCOCC2)C1)c1ccc(F)cc1 426624766 MCYRWRGNGGKHCU-QGZVFWFLSA-N 334.435 3.879 0 50 EHAA COCCN(CCOC)C(=O)c1ccc(-c2cccc(C)c2C)cc1 426651353 ODVBYTZXWGZAHS-UHFFFAOYSA-N 341.451 3.705 0 50 EHAA CCn1ncc(CN(C)C(=O)c2cc3cc(C)ccc3nc2C)c1C 426740497 NKJOIGOFEPRIPZ-UHFFFAOYSA-N 336.439 3.649 0 50 EHAA C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)[C@H](C)c1ccccc1 497241160 BLIRNYSBDVGFRL-ZMSDIMECSA-N 346.471 3.694 0 50 EHAA O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@@H]1CCC[C@@H](c2ccccc2)C1 827811629 RUOHBGYFCNKTRC-HLIPFELVSA-N 348.446 3.704 0 50 EHAA Cc1csc([C@H]2CCCCN2C(=O)c2ccc(C3CC3)nc2O)n1 931763698 KFLWUTDJWCFUIB-OAHLLOKOSA-N 343.452 3.797 0 50 EHAA Cn1cc([C@H]2CCCN(C(=O)c3cc(-c4ccccc4)ccn3)C2)cn1 935461818 KBMGYZFUIIVYPK-SFHVURJKSA-N 346.434 3.502 0 50 EHAA CCCc1noc(CN(C)Cc2cc3cc(C)cc(C)c3nc2O)n1 952989906 PWRCNGZMKZBAII-UHFFFAOYSA-N 340.427 3.525 0 50 EHAA CC(C)COc1ccc(CCNC(=O)CCCn2cccc2)cc1 1136700882 GBXTZUYMQTZGLY-UHFFFAOYSA-N 328.456 3.662 0 50 EHAA CCc1nc(O)c(C(=O)N[C@H](CCc2ccccc2)C(F)F)cc1C 1166885123 KQNVDZQOGVWJJD-MRXNPFEDSA-N 348.393 3.654 0 50 EHAA CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529112911 VMJXEHGDTRWDLX-LMHVJCSRSA-N 328.239 3.615 0 50 EHAA CCc1[nH]nc(C(=O)N2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)c1C 1529113598 GNSLZIFSXDKIJI-MSOLQXFVSA-N 341.455 3.519 0 50 EHAA FC(F)c1coc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1 1776005117 AJBWUXCEESLSCE-UHFFFAOYSA-N 349.168 3.641 0 50 EHAA Cn1cc(C=Cc2cc(C(=O)O)c3ccc(F)cc3n2)c(C(F)F)n1 1857528745 ZKIBQRZPIWMERE-UHFFFAOYSA-N 347.296 3.914 0 50 EHAA CCc1cc(CNC(=O)N2CCC[C@@H]2c2c(F)ccc(C)c2F)n[nH]1 1875293999 KEYUCXRUEIANKT-OAHLLOKOSA-N 348.397 3.605 0 50 EHAA Cc1ccc2nc(N3CCC(F)(Cc4ccccn4)CC3)sc2n1 2325780425 DIRFTLVCXXUPQH-UHFFFAOYSA-N 342.443 3.946 0 50 EHAA OCc1cc(CN2CC=C(c3ccc(Cl)c(Cl)c3)CC2)no1 2325803603 QFQDFPUCEPCUHD-UHFFFAOYSA-N 339.222 3.763 0 50 EHAA O=C(c1cc(-c2ccccc2)co1)N1CCNC[C@@H]1c1ccccc1 2325865113 NBAUPZURODGWCZ-LJQANCHMSA-N 332.403 3.733 0 50 EHAA c1ccc(N=c2[nH]c(C3(c4ccccc4)CCNCC3)cs2)cc1 2356167032 GKKOWLZEEBTSSX-UHFFFAOYSA-N 335.476 3.978 0 50 EHAA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2cccc(C)c2)NC(=O)N1 80277 NNQHZQSDSDHIPP-SFHVURJKSA-N 342.439 3.889 0 50 EHAA COc1cccc2cc(C(=O)Nc3cccc(Cl)c3)c(=O)oc12 197376 HLEWRWIVQPVALP-UHFFFAOYSA-N 329.739 3.707 0 50 EHAA COc1ccccc1N1CCN([C@H](C)Cc2ccc(F)cc2)CC1 214064 RBMRYLVZIIYZOZ-MRXNPFEDSA-N 328.431 3.588 0 50 EHAA COc1cc(OC)cc(-c2nc(Cc3ccc(Cl)cc3)no2)c1 317304 KOCAMQNQLWLYHO-UHFFFAOYSA-N 330.771 3.998 0 50 EHAA COc1cccc(NC(=O)Nc2nnc(-c3cccc(F)c3)s2)c1 451876 FJHKIVQAYXCQHN-UHFFFAOYSA-N 344.371 3.997 0 50 EHAA Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)n2)cc1 483892 MSWQGSUCTSKSLI-KGLIPLIRSA-N 344.436 3.948 0 50 EHAA O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 1011198 QDNQANIYTVAQPZ-UHFFFAOYSA-N 342.317 3.971 0 50 EHAA O=C(Nc1nnc(-c2ccncc2)s1)c1cc2c(s1)CCCC2 1054042 CBPMSXAHPLOKMJ-UHFFFAOYSA-N 342.449 3.793 0 50 EHAA COc1cccc(NC(=O)Nc2nnc(-c3ccccc3F)s2)c1 1250545 JHNVHEUXDJBJTN-UHFFFAOYSA-N 344.371 3.997 0 50 EHAA Clc1ccc(CSc2nnnn2-c2cccnc2)cc1Cl 4943236 MHOAXZDMCGBJLX-UHFFFAOYSA-N 338.223 3.656 0 50 EHAA COc1ccc(O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 11608713 PHBGVUBDQLCWEK-IVKJLDKCSA-N 329.440 3.548 0 50 EHAA Cc1ccc(Oc2ncccc2CNC(=O)NC2CCCCC2)cn1 12198845 ZDFISIDJIAXJHK-UHFFFAOYSA-N 340.427 3.709 0 50 EHAA COc1cccc([C@H](C)NC(=O)c2ccccc2Br)c1 12383785 KAXYYOBQPKTNSE-NSHDSACASA-N 334.213 3.949 0 50 EHAA CN(Cc1cccnc1)CC1CCN(CCc2ccccc2F)CC1 12449198 CBVXSYCIIZWRBB-UHFFFAOYSA-N 341.474 3.607 0 50 EHAA COc1ccc(C(=O)Nc2nnc(CC3CCCC3)s2)cc1OC 16605829 LENTYLQABRTMAJ-UHFFFAOYSA-N 347.440 3.540 0 50 EHAA Fc1ccc(N2CN(C3CCCCC3)CNC2=S)cc1Cl 20171944 LVHMOGJGKXMKFV-UHFFFAOYSA-N 327.856 3.723 0 50 EHAA CCC(CC)c1n[nH]c2c1CN(Cc1nc(C)c(C)nc1C)CC2 20234139 RUGSTBTVCLRXKI-UHFFFAOYSA-N 327.476 3.587 0 50 EHAA NCCN[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 22917510 GHMNCFVNGJNFHU-HNNXBMFYSA-N 339.664 3.740 0 50 EHAA in-vitro CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H]2OC(=O)CCC/C=C\C[C@H]21 43772208 ZVWMOTMHZYWJPF-BWEMOPLBSA-N 336.472 3.523 0 50 EHAA in-vitro Cc1cc(C)cc(-c2c(-c3ccccc3)ncn2C(C)(CO)CO)c1 65433411 RXRGVLLUPZUXHN-UHFFFAOYSA-N 336.435 3.534 0 50 EHAA Cc1ccc2[nH]nc(C(=O)N3CCO[C@@H](CCCC(C)C)C3)c2c1 71751247 KHCQZGUQCPJKIR-HNNXBMFYSA-N 329.444 3.539 0 50 EHAA Cc1ccccc1-c1c[nH]nc1C1CCN(Cc2cccnc2N)CC1 77388342 URXNRMPOMRYBPE-UHFFFAOYSA-N 347.466 3.742 0 50 EHAA Cc1ccc(C2(C(=O)N3CCCC[C@H]3CCn3ccnc3)CC2)cc1 82097474 QNTPBTSDPNNBFL-IBGZPJMESA-N 337.467 3.695 0 50 EHAA COC[C@]1(O)CCN(Cc2cc(Cl)ccc2Cl)CC1(C)C 91915468 UKBZHYZQECMKMX-MRXNPFEDSA-N 332.271 3.603 0 50 EHAA CC(C)(C)n1ccc(C(=O)NC[C@H]2CCOc3ccccc3C2)c1 95508009 RPGMOESMMUCXCR-HNNXBMFYSA-N 326.440 3.614 0 50 EHAA COCCOc1cccc(NC(=O)NC2(c3ccccc3)CC2)c1 96136183 JINMLUAIYQOSQS-UHFFFAOYSA-N 326.396 3.523 0 50 EHAA O=C(NCC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)o1 97694967 PMUXWENOKYXGMX-HNNXBMFYSA-N 332.831 3.575 0 50 EHAA CCc1cccc(C)c1NC(=O)Cn1c(=N)sc2ccccc21 100389181 WBWZYIMPQLVYII-UHFFFAOYSA-N 325.437 3.692 0 50 EHAA FC(F)n1ccnc1CN(Cc1ccccc1)CC1CCOCC1 111261226 CNVHTWSTWFTGJQ-UHFFFAOYSA-N 335.398 3.707 0 50 EHAA CCc1c(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)[nH]c(C)c1C(C)=O 121326239 ZDRRFDRZBKGUMU-NZSAHSFTSA-N 336.435 3.546 0 50 EHAA Cc1cnccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 121927234 KXUCCXFQWJDVFX-INIZCTEOSA-N 339.395 3.530 0 50 EHAA CCc1nc(C2(NC(=O)c3ccc(Cl)cc3C)CCCC2)no1 123571338 LCBDHKHLDTVLAC-UHFFFAOYSA-N 333.819 3.793 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccccn2)c1C 170565521 BUZPEQQEBPTJFJ-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA CNCc1ccccc1NC(=O)c1cc(Oc2ccccc2)ccn1 170676343 AKMUOEPJHHAUDO-UHFFFAOYSA-N 333.391 3.846 0 50 EHAA C[C@H](NC(=O)[C@](C)(N)C1CC1)c1ccc(Oc2ccccc2)c(F)c1 170681257 SSKFGYRUBWWYTQ-RNODOKPDSA-N 342.414 3.923 0 50 EHAA O=C(N[C@@H](c1ccc(Cl)cc1)c1ccsc1)C1=CCOCC1 184318603 VSKDUQLVBCLYGJ-INIZCTEOSA-N 333.840 3.954 0 50 EHAA Cc1cccc2c1OCC[C@H]2NC(=O)c1cc(C)n(C(C)(C)C)n1 189580431 TXFDWHCSROQZBU-OAHLLOKOSA-N 327.428 3.509 0 50 EHAA O=C(Nc1cc(Cl)cc(Cl)c1)NC1CCN(CC2CC2)CC1 193478777 CVPFZLGTNZDMPK-UHFFFAOYSA-N 342.270 3.989 0 50 EHAA CC(C)C1=NO[C@@H](C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 217865018 BGNUZJVZTXTQQU-QGZVFWFLSA-N 345.830 3.507 0 50 EHAA Cc1ccc(SCc2ccc(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)o2)cc1 218983871 KYXPEHINSAJGBX-RYRKJORJSA-N 343.448 3.788 0 50 EHAA COC[C@H](NC(=O)C1(c2ccccc2)CCCCC1)c1ccccn1 220221010 RPVYECNZUOBRJZ-IBGZPJMESA-N 338.451 3.787 0 50 EHAA Cc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1 223211834 KSBBITOWIYZTSM-UHFFFAOYSA-N 349.419 3.722 0 50 EHAA c1cncc(-c2cccc(CNc3ncccc3N3CCOCC3)c2)c1 225609754 NXWOJFQMGKAHEF-UHFFFAOYSA-N 346.434 3.592 0 50 EHAA O=C(c1ccn(Cc2ccccc2)n1)N(c1ccccn1)C1CCCC1 239760954 CITKKSKLUZGZJW-UHFFFAOYSA-N 346.434 3.916 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)CCC(=O)Nc2ccc(F)c(F)c2)c1 244673702 HUBVUXSAEMBIGB-AWEZNQCLSA-N 347.409 3.560 0 50 EHAA CCN(C)C1(CNC(=O)c2ccnc3ccc(C)cc23)CCCC1 244701146 KBBYCEOCEHWDHK-UHFFFAOYSA-N 325.456 3.538 0 50 EHAA CCCCCOc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 248294117 VQVRPWHSVSDCGB-LBTBCDHLSA-N 343.423 3.717 0 50 EHAA CO[C@H](c1ccccc1F)[C@H](C)NC(=O)[C@@H]1CCCc2cccnc21 277844612 KZPJCNHUWNJDIN-CRFBAAHOSA-N 342.414 3.533 0 50 EHAA Cc1nnc([C@H](C)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)s1 283143439 ODDNUMRKQILRFW-UVBJJODRSA-N 335.448 3.635 0 50 EHAA O=C(c1cc(Cl)c[nH]1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 290615856 LKGJCLAZSXSDED-CYBMUJFWSA-N 334.807 3.686 0 50 EHAA CN(CCC[C@H]1CCCO1)C(=O)c1cc2cccc(Cl)c2n1C 299771956 YEFFXTGUQRNNOD-AWEZNQCLSA-N 334.847 3.863 0 50 EHAA Cc1cc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)C(F)(F)F)nn1C 345158582 MWDLZUWRULYBTG-CYBMUJFWSA-N 345.752 3.758 0 50 EHAA C[C@H]1Oc2ccccc2[C@@H]1NC(=O)Nc1ccc(-c2ncco2)cc1 377545626 UPIWAEBGQGSIGF-SJKOYZFVSA-N 335.363 3.985 0 50 EHAA CCc1noc(CC)c1CC(=O)NC1(C(F)(F)F)CCCCC1 408513122 LBJOXCXKSJGOAV-UHFFFAOYSA-N 332.366 3.723 0 50 EHAA O=C(Nc1ccc(OCCN2CCCC2)cc1)c1ccc2[nH]ccc2c1 409413925 GIFXCILEIQULKK-UHFFFAOYSA-N 349.434 3.895 0 50 EHAA CC(C)Oc1cccc(-c2ccc([C@H](O)CN3CCOCC3)cc2)c1 426486555 ZKOXSJNDPSKXMH-OAQYLSRUSA-N 341.451 3.506 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)c(OCCCN)c1 426667429 NFKDNBUOFIAVDX-LJQANCHMSA-N 338.451 3.700 0 50 EHAA CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)Cc1ncccc1F 472215420 QDZBMVBOZQYTIX-SFHVURJKSA-N 332.394 3.628 0 50 EHAA CN(Cc1cc(C2CC2)on1)C(=O)NCc1cccc(Cl)c1F 534591620 BYAGDJNASRLVKP-UHFFFAOYSA-N 337.782 3.686 0 50 EHAA Cc1cnc(NC(=O)[C@H]2CCCO[C@@H]2C(C)C)c(Br)c1 886043533 YPJKAOVQUGYMOP-WCQYABFASA-N 341.249 3.542 0 50 EHAA Cc1ccnc2ccc(C(=O)N3CCCc4ccnc(N(C)C)c43)cc12 894156773 QJCJCCYQMRUTFL-UHFFFAOYSA-N 346.434 3.597 0 50 EHAA CC(C)[C@H](NC(=O)Nc1nsc2ccccc12)c1cnn(C)c1 931850342 NXFNETVOODSZMC-AWEZNQCLSA-N 329.429 3.549 0 50 EHAA CO[C@H]1CN(Cc2c(C)cccc2Cl)C[C@H]1Cc1cc(C)no1 1529095731 VISZEYXMHJPUJY-KDOFPFPSSA-N 334.847 3.634 0 50 EHAA CCCCn1nc(C)cc1NC(=O)CCc1nc2ccc(F)cc2[nH]1 1529171866 FHCCUIPMPCHATN-UHFFFAOYSA-N 343.406 3.578 0 50 EHAA Clc1cc2c(cc1-c1nccn1-c1cccc3c1CCO3)OCO2 1772818756 KQZYAOYQLZLLOF-UHFFFAOYSA-N 340.766 3.856 0 50 EHAA Cc1cc(CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc(C)n1 1775983255 URCMHNQFGFTJRK-QGZVFWFLSA-N 349.434 3.788 0 50 EHAA Cc1cc([C@@H]2CCCN(C(=O)c3cccc(C(C)(C)C)c3N)C2)n[nH]1 1775985221 RKPLILOFWFGLLX-CQSZACIVSA-N 340.471 3.618 0 50 EHAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1cc(OC)ccc1F 1857675236 OWVFVPYGAQVIOW-POZUXBRTSA-N 335.419 3.531 0 50 EHAA Cc1nn(C)c(NC(=O)NCc2ccc(F)cc2)c1-c1ccccc1 1875303490 AMKZBLCOPDZDBH-UHFFFAOYSA-N 338.386 3.856 0 50 EHAA COc1ccc(C2CCN(Cc3cc4ccccc4c(O)n3)CC2)nc1 2325755219 XSNCFNWLGKMXPR-UHFFFAOYSA-N 349.434 3.724 0 50 EHAA COc1ccc2ccnc([C@@H](C)NC(=O)c3cccc4[nH]ncc34)c2c1 2325842938 NJPBVVRIFINAJP-GFCCVEGCSA-N 346.390 3.611 0 50 EHAA CCC[C@@H]1c2ccccc2CCN1C(=O)Nc1cccc2c1CNC2=O 2325883497 GZFMMNJVIJWWGI-LJQANCHMSA-N 349.434 3.861 0 50 EHAA Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3Cl)ccc12 139406 MESKUUFOYIOMLI-UHFFFAOYSA-N 343.766 3.772 0 50 EHAA biogenic CCOc1cccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)c1 452908 SMXFRLUGGHBHRH-UHFFFAOYSA-N 328.437 3.829 0 50 EHAA O=C(CC1CCCCC1)NCc1nc(-c2ccc(Cl)cc2)no1 4513112 NEVKTICCBKVUMO-UHFFFAOYSA-N 333.819 3.977 0 50 EHAA CCn1c(/C=C/c2ccc(OC)c(OC)c2)nc2ccccc2c1=O 4863058 KPNQEXYQEZWZMQ-ZRDIBKRKSA-N 336.391 3.604 0 50 EHAA Cc1ccccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1 11947439 HVUDMFVFFKHEQP-QGZVFWFLSA-N 326.415 3.529 0 50 EHAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)cc1C 12446949 KCYOVRXOFBTWHI-QGZVFWFLSA-N 340.471 3.867 0 50 EHAA CC(C)(O)[C@H]1Cc2cc3cc(-c4cc(O)cc(O)c4)oc3cc2O1 14610079 HMTMYIWMPJSCAZ-GOSISDBHSA-N 326.348 3.585 0 50 EHAA endogenous,in-man Clc1cccc(Cn2c(CN3CCOCC3)nc3ccccc32)c1 19939666 JYZUKFVJBGPSHS-UHFFFAOYSA-N 341.842 3.570 0 50 EHAA Cc1noc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C(C)C)cc1 33086927 UIFYNVMCZKECEB-KRWDZBQOSA-N 348.468 3.941 0 50 EHAA COC(=O)c1sccc1NC(=O)C1(c2ccccc2)CCCC1 33808209 KRJABKDPFYZNLF-UHFFFAOYSA-N 329.421 3.985 0 50 EHAA CCn1nc(C)c(CN2CC[C@@]3(CCCN(CC4CCC4)C3)C2)c1C 67676496 JBTRDMFLECMCAB-OAQYLSRUSA-N 344.547 3.608 0 50 EHAA CCOCCN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67688460 QNAMRORMSBEWIS-UHFFFAOYSA-N 347.842 3.944 0 50 EHAA Cc1n[nH]c(C)c1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71750751 ONDZLWZLCFYMKL-MRXNPFEDSA-N 340.254 3.907 0 50 EHAA CNc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)ccn1 72171447 NURFPKXGUIJGHZ-INIZCTEOSA-N 341.430 3.747 0 50 EHAA Cc1nc([C@@H]2CCCN(C(=O)CCC(C)C)C2)cc(N2CCCC2)n1 72423855 PHVOHPNTIAVDKV-QGZVFWFLSA-N 344.503 3.527 0 50 EHAA COCCC[C@H]1CCCCN1Cc1cc(F)ccc1-n1cccn1 77323234 UKIQOHQHEZDLAD-GOSISDBHSA-N 331.435 3.793 0 50 EHAA CCc1cc(C(=O)N(C)Cc2cc(-c3ccncc3)no2)cs1 91390725 TXXFQIOXZTZKNV-UHFFFAOYSA-N 327.409 3.633 0 50 EHAA Cc1nc([C@H](C)n2cc(-c3cccc(-n4cccn4)c3)nn2)cs1 91793956 MSNHPOIGDUKEHH-LBPRGKRZSA-N 336.424 3.505 0 50 EHAA CCOc1ccccc1OCCNCCOc1ccccc1OCC 96026910 FPDXRTOEXJKUHS-UHFFFAOYSA-N 345.439 3.531 0 50 EHAA COc1ccccc1Oc1ccccc1NC(=O)NC1CCOCC1 96152061 FNHWGKUTYJBWJJ-UHFFFAOYSA-N 342.395 3.788 0 50 EHAA CC[C@@]1(C)CN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CCO1 135617984 UPZGXKZQEXRDGV-SFHVURJKSA-N 347.484 3.678 0 50 EHAA C[C@H]1CCC[C@H](CC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)C1 170611850 DOCIAAYVJWXERI-HKUYNNGSSA-N 348.531 3.844 0 50 EHAA Clc1cccc2c1OCCC[C@@H]2NCc1cnn2ccccc12 180992122 VCRWPFNOMIKOSE-INIZCTEOSA-N 327.815 3.991 0 50 EHAA CC(=O)Nc1cccc(C(=O)N2CCOc3c(Cl)cccc32)c1C 188787767 ACYMWQDPUDGECF-UHFFFAOYSA-N 344.798 3.646 0 50 EHAA O=C1CCC(=O)N1Cc1ccc(NCc2ccc(Cl)cc2F)cc1 189269487 FFKLWKQEUPTZBY-UHFFFAOYSA-N 346.789 3.740 0 50 EHAA CC(=O)N1CC[C@H](N[C@@H](C)c2cccc(O)c2)c2ccc(F)cc2C1 194961061 VEXKQRSQEWGHCT-RBZFPXEDSA-N 342.414 3.675 0 50 EHAA CC(C)c1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)on1 222731378 NVXAWFCVYHJIGE-UHFFFAOYSA-N 334.847 3.935 0 50 EHAA Brc1ccccc1CN1CC[C@@H](OCc2ccncc2)C1 225518985 MELIEYYARTYYMD-MRXNPFEDSA-N 347.256 3.635 0 50 EHAA ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C=CC[C@@H]3[C@@]1(Cl)C21OCCO1 229955229 IQCLSRUVEQYARZ-GUHGHRINSA-N 328.022 3.593 0 50 EHAA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(Cc4ccncc4)cc3)C(=O)[C@H]2C1 239402979 RJHNCKCYNUVAMZ-ZMYBRWDISA-N 334.419 3.598 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 239412389 SQIVJPSKVPIGBD-AJABAVSMSA-N 334.202 3.551 0 50 EHAA CC(C)c1cc([C@H]2CCCN2CCC(=O)NCc2cccs2)no1 244708023 KMCHQOMJGIRHKX-MRXNPFEDSA-N 347.484 3.703 0 50 EHAA O=C(O)CC1CCN(C(=O)c2sccc2-c2ccccc2)CC1 261830368 XNVSBLAFHUPEHB-UHFFFAOYSA-N 329.421 3.742 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(-c2ccccn2)c1 263457722 BCWBKDLBPYZVGB-SXLOBPIMSA-N 336.435 3.966 0 50 EHAA CC[C@@H](c1ccncc1)N(C)C(=O)CCC(=O)c1ccc(F)cc1F 265699958 TUBNXJBFWUNQCF-KRWDZBQOSA-N 346.377 3.932 0 50 EHAA CC(C)c1nn(C)cc1NC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 280655476 CQHYAGDKUORANC-SWLSCSKDSA-N 348.472 3.599 0 50 EHAA Cc1ccc2c(NC(=O)N3CCC[C@@H](c4cc[nH]n4)C3)cccc2n1 299773306 DHDHJHGWZBPEQH-CQSZACIVSA-N 335.411 3.678 0 50 EHAA Cc1cc(NC(=O)NCCCc2c(C)noc2C)n(C2CCCC2)n1 299790349 BTJXXMYHPOTUDI-UHFFFAOYSA-N 345.447 3.666 0 50 EHAA CC[C@H](NC(=O)C1(N2CCCC2)CCCCC1)c1ncccc1C 299796938 OCQKLUXTDPGDNM-KRWDZBQOSA-N 329.488 3.756 0 50 EHAA Cc1nc(-c2cccc(NC(=O)c3csc4c3CCCC4)c2)n[nH]1 341868159 DQBCYWTZHQTYOH-UHFFFAOYSA-N 338.436 3.973 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)s1 344662259 GPDRKLMEDLACTO-UHFFFAOYSA-N 345.392 3.650 0 50 EHAA C[C@@H](Nc1ncnc2ccc(F)cc12)c1noc(Cc2ccccc2)n1 356769782 ABKOLOOIZBHXGH-GFCCVEGCSA-N 349.369 3.916 0 50 EHAA CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)C1CC=CC1)CC2 408514443 YIXFWENDTPHUOI-UHFFFAOYSA-N 348.487 3.592 0 50 EHAA Cc1ccccc1[C@@H](NC(=O)N1CCC(F)(F)CC1)c1ccncc1 426489604 JGNSPGWIKVFBET-KRWDZBQOSA-N 345.393 3.920 0 50 EHAA Cc1nnc([C@@H](C)N2CCC(Cc3nc4ccccc4[nH]3)CC2)s1 660857499 QANXSDLQWDLFTQ-GFCCVEGCSA-N 341.484 3.739 0 50 EHAA NS(=O)(=O)c1cccc(NCc2ccccc2-c2ccccc2)c1 754885558 PDBAUPSFVFWVER-UHFFFAOYSA-N 338.432 3.613 0 50 EHAA Cc1cccc2nc(C3CCN(c4cccc([C@H](C)O)n4)CC3)oc12 893373970 LOMPSEROBBLQLZ-AWEZNQCLSA-N 337.423 3.969 0 50 EHAA O=C(C[C@@H](Cc1ccccc1)c1ccco1)NCc1cscn1 952966409 SYOBSNYGNQTMQP-OAHLLOKOSA-N 326.421 3.769 0 50 EHAA Cc1cc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cnc1C 1529179612 ZCTYPZPKHNWJLL-VQTJNVASSA-N 336.435 3.691 0 50 EHAA CSc1ccc2c(C)cc(N[C@H]3COC4(CCNCC4)C3)nc2c1 1704312939 BVZKYJVLFFYCDB-CQSZACIVSA-N 343.496 3.588 0 50 EHAA CO[C@H](C)c1nc(CNc2ccc3c(c2)NC(=O)CCC3)cs1 1875282007 JKVDQTQHIPVDJZ-LLVKDONJSA-N 331.441 3.737 0 50 EHAA CC(C)(C)Nc1ccc(-c2noc(Cc3c[nH]c4cccnc34)n2)nc1 1875299087 YKZGXNRLIDTQEN-UHFFFAOYSA-N 348.410 3.809 0 50 EHAA Cc1cc(=NCc2ccnc(Oc3ccc(C)c(C)c3)c2)[nH]c(C)n1 2325704414 QNZIXNGVAQSQOP-UHFFFAOYSA-N 334.423 3.932 0 50 EHAA Fc1ccc(Cn2cc(-c3ccc([C@@H]4CCCN4)cc3)nn2)c(F)c1 2325792523 MQGXHGGHEVGCTJ-SFHVURJKSA-N 340.377 3.696 0 50 EHAA Brc1cncc(N2CC[C@@]3(CCc4ccccc43)C2)c1 2325854497 HBAVCBAADSZMOW-KRWDZBQOSA-N 329.241 3.938 0 50 EHAA Cc1cc(NC(=O)NC2CC(OC(F)F)C2)ccc1Br 2325865254 UMPCQWOKLAMUQF-UHFFFAOYSA-N 349.175 3.649 0 50 EHAA CCOc1ccc(-n2c(-c3ccccn3)nc3ccccc3c2=O)cc1 127376 GAEMDYBTMGGHBK-UHFFFAOYSA-N 343.386 3.846 0 50 EHAA COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)c2cccnc12 140996 JBCKMLINAIRKMM-UHFFFAOYSA-N 342.420 3.661 0 50 EHAA COc1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(C)c1C 239658 WZKCUIUWLITPHU-UHFFFAOYSA-N 328.431 3.773 0 50 EHAA O=Cc1ccc(Oc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1 299998 ZZXYDBVXANCBLJ-UHFFFAOYSA-N 342.358 3.934 0 50 EHAA COc1ccc(-c2nnc3sc(-c4cccs4)nn23)cc1OC 554420 FHXPMSUMSKSGTK-UHFFFAOYSA-N 344.421 3.599 0 50 EHAA Cc1cc(Br)c(-n2nc(C)c3c(C)cc(=O)oc32)cc1C 1063722 GGAUVFMXXUETNY-UHFFFAOYSA-N 347.212 3.975 0 50 EHAA CC(C)(C)OC(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 2556725 NBVVKAUSAGHTSU-QGZVFWFLSA-N 341.407 3.874 0 50 EHAA biogenic,in-vitro C[C@@H](NC(=O)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 2920670 DKGGCUXLLNXZDJ-SNVBAGLBSA-N 344.212 3.816 0 50 EHAA Cc1cccc(-c2noc(CN(C(=O)c3ccco3)C(C)C)n2)c1 4487165 FEVZHJPGMXQSIJ-UHFFFAOYSA-N 325.368 3.689 0 50 EHAA Cc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)c(Cl)c1 4841507 QPXLDQIOJMCWIS-UHFFFAOYSA-N 343.858 3.653 0 50 EHAA CC(C)c1ccc(OCc2cccc(C(=O)NCCN(C)C)c2)cc1 4954857 WUNINNBLHFTOJP-UHFFFAOYSA-N 340.467 3.680 0 50 EHAA C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)c1ccncc1 6699821 GVIPDMMWUDCGLF-VXGBXAGGSA-N 338.329 3.745 0 50 EHAA COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCCO2)c1 12710642 QPFCAPYRJZGNPW-UHFFFAOYSA-N 335.407 3.685 0 50 EHAA Cc1ccc(-c2ccccc2CN2CCC[C@@H](N3CCOCC3)C2)o1 19773650 UPMGESNVFQYLOP-LJQANCHMSA-N 340.467 3.552 0 50 EHAA CC(C)Oc1cccc(-c2c[nH]c([C@@H]3CC(=O)N(C(C)C)C3)n2)c1 23540915 OSEXTGJBKJMVAM-OAHLLOKOSA-N 327.428 3.588 0 50 EHAA CC(C)c1noc(-c2ccc(N3CCC[C@H]3c3ccccn3)nc2)n1 39455142 CYJFABFKSRRMHC-INIZCTEOSA-N 335.411 3.992 0 50 EHAA CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC12CCNCC2 55211228 XMNLBPVYQYVVJA-QGZVFWFLSA-N 334.891 3.714 0 50 EHAA CCCCOc1c(CN2CCO[C@@H](C(F)(F)F)C2)cccc1OC 71764692 DEDHUMJVNBLOAS-OAHLLOKOSA-N 347.377 3.637 0 50 EHAA CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1 72116089 KJWBBDUMFRMQDL-INIZCTEOSA-N 325.412 3.871 0 50 EHAA O=C1Nc2ccccc2NC12CCN(c1ccnc3ccccc13)CC2 82108477 BQGRVXFUDZUOMD-UHFFFAOYSA-N 344.418 3.638 0 50 EHAA O=C(c1ccc[nH]1)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1 91665318 NUACUPQEBPOOSD-UHFFFAOYSA-N 338.329 3.717 0 50 EHAA CCc1nnc(N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)s1 91768758 RYWDFQDQHMFEAJ-SFHVURJKSA-N 345.468 3.678 0 50 EHAA O=C(C1CC1)N1CCC2(CC1)C[C@H](c1ccccc1)CN(C1CC1)C2 95366822 PCQNXXHIKCHRAX-IBGZPJMESA-N 338.495 3.657 0 50 EHAA CSc1ccc(C(=O)Nc2ccc(Sc3nncn3C)cc2)o1 112271726 KNJWCBDCJSKFIT-UHFFFAOYSA-N 346.437 3.534 0 50 EHAA O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CCC(CO)CC1 124960689 YUWWZGNBSCZCAJ-UHFFFAOYSA-N 349.474 3.811 0 50 EHAA CCc1cc2c(CNc3ccc4c(c3)COC4)cc(=O)oc2cc1O 152767348 YJZPYRXKUOWVFR-UHFFFAOYSA-N 337.375 3.703 0 50 EHAA CC[C@@H]1CN(C(=O)c2csc([C@H]3CCCO3)n2)c2ccccc2O1 153749153 CJZKVUWZYPJAIZ-MLGOLLRUSA-N 344.436 3.812 0 50 EHAA CN(CCC1CCOCC1)C(=O)COc1ccc(Cl)cc1Cl 154571486 FWJUVBUMUKMXHN-UHFFFAOYSA-N 346.254 3.647 0 50 EHAA O=C(O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 169615872 BGTKFCTXONQEGD-UHFFFAOYSA-N 332.812 3.915 0 50 EHAA Cc1ccc(CC(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cc1 169762634 SWMDNKQEDWJPRK-UHFFFAOYSA-N 346.434 3.771 0 50 EHAA O=C(NCCc1ccccc1F)Nc1cc(C(F)(F)F)ccn1 170594555 GBJPVOWCTCGEAL-UHFFFAOYSA-N 327.281 3.604 0 50 EHAA COc1ccsc1S(=O)(=O)Nc1c(Cl)cccc1Cl 181341381 DYLROESGFVZADF-UHFFFAOYSA-N 338.237 3.864 0 50 EHAA Cc1ccc(C)c(N(C(=O)c2cc(OC(F)F)n(C)n2)C(C)C)c1 185621374 XDMMKYYLGMHJDD-UHFFFAOYSA-N 337.370 3.694 0 50 EHAA O=C(Nc1cnc(C2CC2)nc1)C1(Cc2ccccc2Cl)CC1 187612083 MPSSFYRPNGYKSR-UHFFFAOYSA-N 327.815 3.969 0 50 EHAA CN(CCCc1ccc2c(c1)CCO2)Cc1nc2ccccc2n1C 193250028 PZCPLGUWRSHOHO-UHFFFAOYSA-N 335.451 3.573 0 50 EHAA Fc1ccc2nc([C@@H]3CCCN3Cc3cccc4nonc34)[nH]c2c1 216472521 KSCSJEBTWSCOHG-INIZCTEOSA-N 337.358 3.575 0 50 EHAA O=C(CC1Cc2ccccc2C1)NCc1nc(C2CCCCC2)no1 244748484 OIKLJSYQVSBGRY-UHFFFAOYSA-N 339.439 3.539 0 50 EHAA CC(C)[C@@H](NCc1ncc(C2CC2)o1)c1ccc2c(c1)OCCO2 253419228 HLAWQIRBEHZRIK-LJQANCHMSA-N 328.412 3.810 0 50 EHAA O=C(Nc1ccc(CC(F)(F)F)cc1)N1CC[C@H]([C@H]2CCOC2)C1 253428227 CHLCCYWOIAQGFC-KBPBESRZSA-N 342.361 3.682 0 50 EHAA CCn1cnnc1[C@H]1CCCN(C(=O)c2cccc3ccsc23)C1 253431111 OFNQYJDBIWGRNR-AWEZNQCLSA-N 340.452 3.533 0 50 EHAA Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CCC[C@@H]1C1CCCCC1 253433400 WLAHKBZPZVHVRJ-IAGOWNOFSA-N 346.475 3.848 0 50 EHAA FC(F)Oc1ccc(Cc2noc(-c3noc4c3CCCC4)n2)cc1 273791064 UXCCQPDBRVGZBJ-UHFFFAOYSA-N 347.321 3.796 0 50 EHAA Cc1ccc(C2(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)CC2)cc1 299764942 XKTAGYMBBGPHMQ-HXUWFJFHSA-N 334.463 3.542 0 50 EHAA N=c1[nH]c(C2CC2)ncc1-c1noc([C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 333073938 DCNKGXORMRIIPM-FPMFFAJLSA-N 339.443 3.890 0 50 EHAA O=C(Nc1ccc([C@H]2CCOC2)cc1)N1CCC[C@@H]1C1CCOCC1 333641629 IWEHOXRVHAZQOP-PKOBYXMFSA-N 344.455 3.613 0 50 EHAA C[C@]1(C(=O)NCCCSCc2ccccc2Cl)CCCO1 426551034 HATKWCIMZDDLJH-MRXNPFEDSA-N 327.877 3.649 0 50 EHAA COCCNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1C 670417830 OBYOMKVELIVWDN-UHFFFAOYSA-N 327.468 3.839 0 50 EHAA Cc1nc2ccc(CC(=O)NC[C@]3(c4ccccc4)CC3(C)C)cc2[nH]1 670458579 AWBVAIMWXNHSJR-QFIPXVFZSA-N 347.462 3.898 0 50 EHAA COc1ccccc1Oc1ccc(NC(=O)CN2CCCC2)cc1 824827642 XLPJULBRFNTIJT-UHFFFAOYSA-N 326.396 3.522 0 50 EHAA Cc1nc(CN2CCC([C@H](O)c3cc(F)ccc3F)CC2)c(C)o1 852161718 SMSPKPWDNYAXCU-SFHVURJKSA-N 336.382 3.515 0 50 EHAA C[C@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cnc(Cl)cn1 864095604 RXYLBGIBDCPCTO-SNVBAGLBSA-N 339.226 3.686 0 50 EHAA CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(NCc2ccccc2)o1 871001054 RMPAQWGDSSSEQH-AWEZNQCLSA-N 344.415 3.754 0 50 EHAA Cc1nnc([C@H]2CCCN(Cc3ccc(C(C)C)nc3C)[C@H]2C)o1 886078420 YQXZGKSFEZJDQD-YOEHRIQHSA-N 328.460 3.973 0 50 EHAA Cc1csc(C[C@H]2CCN(C(=O)c3ccc4oc(C)nc4c3)C2)n1 886224663 FBEBCNMDBXKMSR-CYBMUJFWSA-N 341.436 3.606 0 50 EHAA Cc1[nH]ccc(=NC(=O)N(Cc2ccccn2)CC(C)C)c1Cl 930765764 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CCc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)on1 71751303 YEVBSSLAGSKSNA-OAHLLOKOSA-N 330.403 3.861 0 50 EHAA c1cc(CN2CCCC2)cc(OC[C@@H]2CCCN3CCCC[C@H]23)c1 72421884 MOXACVIIJGCIAB-PZJWPPBQSA-N 328.500 3.926 0 50 EHAA COc1ccc(F)c(F)c1CN1CCCC[C@@H]1CCN1CCCC1 77286256 XPJQACOSLPTYSJ-OAHLLOKOSA-N 338.442 3.814 0 50 EHAA Cc1nc2ccccc2nc1CN1CCCC[C@H]1CCn1ccnc1C 77541746 FOYPLVUPKVKTKO-SFHVURJKSA-N 349.482 3.888 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CCc4[nH]c5ccccc5c4C3)[nH]n2)o1 91849190 JHZLNHRPJUQQRK-UHFFFAOYSA-N 346.390 3.658 0 50 EHAA Cc1nc(N2CCCCCCC2)ncc1[C@H](C)Nc1ncccn1 91966405 WBJOBPDETKNRKH-AWEZNQCLSA-N 326.448 3.519 0 50 EHAA O=C(c1cccc2cnccc12)N1C[C@@H]2CC[C@H](C1)N(CC1CCC1)C2 95377729 ISZBCGQKBRIYIT-IEBWSBKVSA-N 349.478 3.571 0 50 EHAA COC(=O)Cc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1 97757071 XVABAQMNIMMUAD-UHFFFAOYSA-N 337.419 3.695 0 50 EHAA Cc1cc([C@H](C)NC(=O)N2CCO[C@@H](c3ccco3)C2)c(C)s1 119411781 NENQGCWBAARRDP-BLLLJJGKSA-N 334.441 3.802 0 50 EHAA Cc1cccc([C@H](C)NC(=O)N2CCO[C@H](c3ccco3)C2)c1C 129097359 TVDDCHFDOURUNU-YJBOKZPZSA-N 328.412 3.741 0 50 EHAA Cc1ccc(C(C)(C)C)c(O[C@H](C)C(=O)NCC(F)(F)F)c1F 170618769 BZCKELFLBNGQSQ-SNVBAGLBSA-N 335.341 3.877 0 50 EHAA Cc1ccccc1C1(CNC(=O)N(Cc2cccnc2)C2CC2)CC1 171368122 CUHWTCLXCMGEMR-UHFFFAOYSA-N 335.451 3.796 0 50 EHAA Cc1ccc(N[C@H](C)c2nc3ccccc3o2)cc1NS(C)(=O)=O 182436607 NRNNCBFIUGRWSG-GFCCVEGCSA-N 345.424 3.681 0 50 EHAA C[C@H](NCc1ccc(Oc2ccc(F)cc2)nc1)c1nccn1C 182489608 DILUMTSKNWDRRS-ZDUSSCGKSA-N 326.375 3.597 0 50 EHAA C[C@@H](c1cnccn1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 184628908 QCNAYWGTQWLYAL-KBPBESRZSA-N 328.485 3.753 0 50 EHAA COCc1cc(F)ccc1NC(=O)c1cc(F)c(O)c(Cl)c1 192502694 LLTHQDWNVLXUNJ-UHFFFAOYSA-N 327.714 3.723 0 50 EHAA Cc1nc(C)c(CC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)s1 216234657 HWYGQIFNSSLSAM-UHFFFAOYSA-N 339.464 3.975 0 50 EHAA CSc1ccc(CC(=O)N2CCCN(C3CCCCC3)CC2)cc1 220726022 MYAGOTRIWSQVBX-UHFFFAOYSA-N 346.540 3.818 0 50 EHAA CN(Cc1nccs1)C(=O)c1ccc(N2CCCC2)c(Cl)c1 221292153 MZMQJHAKGSCLOI-UHFFFAOYSA-N 335.860 3.669 0 50 EHAA Nc1nccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)s2)n1 221597376 VCMXLSNRBGKWAM-UHFFFAOYSA-N 337.330 3.945 0 50 EHAA CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(C)CC2(Cl)Cl)C12CCCC2 225382819 CZYCHFMYFVPXGD-YRGRVCCFSA-N 334.287 3.767 0 50 EHAA CC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@@H](c3ccccc3)C2)cc1 229723244 BVVVQWLEIBRQLI-HNAYVOBHSA-N 336.435 3.706 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccccc1-c1ccccc1 239274737 AQCFBQWYIVUEDP-BXGJLEAFSA-N 341.410 3.911 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253536319 MRURHGKZPVRRKA-PITAUUNKSA-N 330.468 3.982 0 50 EHAA CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC1CCC(C(=O)O)CC1 263439173 VQWRJEPDWOLAFN-SNBTVBLJSA-N 325.836 3.649 0 50 EHAA O=C(c1ccoc1Cl)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 278444158 PUPYHZQLXHZLDN-MRVPVSSYSA-N 347.724 3.695 0 50 EHAA CC(C)Cc1cc(C(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)n[nH]1 409415313 ZWPCCFUYHFIRNF-KRWDZBQOSA-N 336.439 3.897 0 50 EHAA Cc1nn(C)c(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c1Cl 426387301 PCTRIMWNBICHOA-UHFFFAOYSA-N 342.830 3.668 0 50 EHAA O=C(NCc1cccc(Cl)c1)N(CC1CCC1)C[C@@H]1CCCO1 426517524 CCOQHUNITKKKLO-KRWDZBQOSA-N 336.863 3.831 0 50 EHAA COCC1(NC(=O)c2cccc(-c3ccccc3CO)c2)CCCC1 426613609 JFIQVUNQBQJRPG-UHFFFAOYSA-N 339.435 3.535 0 50 EHAA C[C@@H](NC(=O)N1CCC(OCc2ccccn2)CC1)C1=CCCCC1 534644842 NQEAJJOUGHXHRC-MRXNPFEDSA-N 343.471 3.661 0 50 EHAA CCN1CC[C@H](NC(=O)N(C)Cc2ccc(-c3ccccc3)cc2)C1 584895812 KAEXIOXSEOJXAB-FQEVSTJZSA-N 337.467 3.589 0 50 EHAA Cc1cccc(C2(C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)CCC2)c1 677935233 YQCWVBQOMMAOTM-CQSZACIVSA-N 326.444 3.536 0 50 EHAA Cc1oc(C(C)(C)C)cc1C(=O)NCC1(O)CCC(F)(F)CC1 826018668 IXPHRIMSRPRNHX-UHFFFAOYSA-N 329.387 3.556 0 50 EHAA c1ccc(-n2nc(COc3ccc4c(c3)CNC4)c3c2CCC3)cc1 905612752 PTEGTYFCSRCHTN-UHFFFAOYSA-N 331.419 3.543 0 50 EHAA CCCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 930386209 FOWCLSIZWIDQET-ZBFHGGJFSA-N 346.406 3.726 0 50 EHAA CN(C)C(=O)c1cc(NC(=O)c2ccccc2CC(C)(C)C)ccn1 932864369 ZMCKTHQRYKKBJD-UHFFFAOYSA-N 339.439 3.624 0 50 EHAA O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1ccc(C(F)F)c(F)c1 935738282 AUVUBXHBOYGQSJ-SNVBAGLBSA-N 339.317 3.633 0 50 EHAA C/C(=C\c1cccnc1)C(=O)Nc1ccc(Nc2ncccn2)cc1 1139642786 XCZAJOKHYGEMMS-WYMLVPIESA-N 331.379 3.657 0 50 EHAA COc1ccc(-c2cc(CNc3nc(C)ncc3Cl)no2)cc1 1704312895 AVXLATORBAFCLU-UHFFFAOYSA-N 330.775 3.714 0 50 EHAA Fc1cc([C@H](NCc2cc[nH]n2)C2CC2)c(F)cc1Br 1775985193 OKAQDOMKRYGTEH-CQSZACIVSA-N 342.187 3.691 0 50 EHAA O=C(c1ccc(-c2cccs2)o1)N1CCc2[nH]nc(C(F)F)c2C1 1775986484 NFULYAIPCLKBQX-UHFFFAOYSA-N 349.362 3.867 0 50 EHAA Cn1c(SCc2ncc(C(F)(F)F)[nH]2)nnc1-c1cccs1 1775987478 FRROMXUHIQUAGU-UHFFFAOYSA-N 345.375 3.578 0 50 EHAA C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc(CC(=O)O)cc1 1875268924 UDGGGWQNLXHBSI-ZDUSSCGKSA-N 345.826 3.670 0 50 EHAA C[C@@H](c1ccccc1)n1cc(-c2ccc(NS(C)(=O)=O)cc2)cn1 1875326219 MRXLNRBPGJJJJY-AWEZNQCLSA-N 341.436 3.531 0 50 EHAA Cc1nn(-c2ccc(CNC[C@@H](N)c3ccccc3)cc2)cc1Cl 1875344696 JCKNEPOKTGEFCU-LJQANCHMSA-N 340.858 3.624 0 50 EHAA COc1ccc(-c2ccnc(N[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)n2)cc1 2325840028 MFDAJFGWCYVHIA-NXHRZFHOSA-N 339.439 3.768 0 50 EHAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3cc4ccccc4o3)C1)CC2 2356156906 WFTOVEKPPKYGEL-NRFANRHFSA-N 347.418 3.651 0 50 EHAA Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(CO)c(Cl)c3N2)cc1 226860 ZQQZMXWRKVVNBH-ZYHUDNBSSA-N 345.752 3.998 0 50 EHAA COc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1Cl 309392 WINFBBWAUMPUKU-UHFFFAOYSA-N 334.828 3.784 0 50 EHAA CCOC(=O)[C@@H]1CCCN1C(=O)c1sc2ccccc2c1Cl 359204 AMSPDGCGOZGYJZ-NSHDSACASA-N 337.828 3.722 0 50 EHAA COc1cc(OC)cc(C(=O)Nc2ccc(Br)cc2)c1 364051 RRSAEQFOCLJPMX-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(F)c1)CC(=O)N2 615836 ALGPNUZPRJGJKH-JTQLQIEISA-N 335.762 3.970 0 50 EHAA CCOC(=O)C(Cc1ccc(F)cc1)(Cc1ccc(F)cc1)C(C)=O 1386205 TUIJZPDFFKHWIB-UHFFFAOYSA-N 346.373 3.889 0 50 EHAA COCCNc1c2c(nc3c(-c4ccccc4)c(C)nn13)CCCC2 2337509 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CCCc1n[nH]cc1C(=O)N1CCC[C@@H](COc2ccccc2C)C1 72431726 VWDKUOKBYVCRBB-MRXNPFEDSA-N 341.455 3.602 0 50 EHAA c1cnn(CCC2CCN(Cc3c[nH]c(CC4CCCC4)n3)CC2)c1 77356583 JKUXQLSHZIMCPD-UHFFFAOYSA-N 341.503 3.641 0 50 EHAA O=C(CCn1cnc2ccccc21)N1CC[C@H](c2ccc(F)cc2)C1 77460104 RXSVRCMLIBUJQH-INIZCTEOSA-N 337.398 3.582 0 50 EHAA CC(C)c1cc(C(=O)NCCc2nc(-c3ccccc3)cs2)no1 82161414 JCRLACUBUCICQX-UHFFFAOYSA-N 341.436 3.894 0 50 EHAA Cc1cc(C)c2[nH]c(C(=O)N(C)Cc3cc(C4CC4)[nH]n3)c(C)c2c1 91452129 IUAICKGDCYYNEM-UHFFFAOYSA-N 336.439 3.966 0 50 EHAA CC[C@@H](NC(=O)c1c[nH]nc1-c1cccc(F)c1)c1nccs1 91808381 MJLVJJRIJJSRSE-CYBMUJFWSA-N 330.388 3.553 0 50 EHAA Cc1cccc2cc(C(=O)N3CCC(Oc4cccnc4)CC3)n(C)c12 95379587 QFMVXUZVPBXAGX-UHFFFAOYSA-N 349.434 3.565 0 50 EHAA COc1cccc([C@@H]2CCN2C(=O)c2cccc(-c3ncc[nH]3)c2)c1 97506034 HXXRKSQPGIYFFT-SFHVURJKSA-N 333.391 3.673 0 50 EHAA O=C1[C@@H]2CCCN2[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 104204129 LJWJBMVGSLJWBD-IRXDYDNUSA-N 330.790 3.989 0 50 EHAA Clc1ccccc1[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 131678624 QEXBHBRXLKZGJV-KRWDZBQOSA-N 327.815 3.790 0 50 EHAA COc1cccc(F)c1[C@@H](C)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 176018656 DTFRBFYSRJGOTI-TZMCWYRMSA-N 346.406 3.555 0 50 EHAA C[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)F)c1cccnc1 181415704 SXKKLXUZTSPNKV-JTQLQIEISA-N 339.317 3.747 0 50 EHAA Cc1ccc(C(=O)N2CC[C@](C)(O)[C@H](Cc3ccccc3)C2)cc1C 211256746 HIBHTVSBCMIBIM-IRLDBZIGSA-N 337.463 3.759 0 50 EHAA CC(C)(C)n1ccc(C(=O)NC2CCN(c3ccccc3F)CC2)c1 222776560 XBSQKKYZVKYCAX-UHFFFAOYSA-N 343.446 3.781 0 50 EHAA CC[C@@H]1[C@H](O)C[C@@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 239235499 WBWWKIRERSPQIP-MHTWAQMVSA-N 341.451 3.867 0 50 EHAA O=C(NCc1ccc(C2CC2)cc1)Nc1ccc(OC2COC2)cc1 241383547 MWDAOPCRMOYUGB-UHFFFAOYSA-N 338.407 3.663 0 50 EHAA CCc1c(C(=O)N[C@@H]2COc3c(Cl)cccc32)cnn1CC(C)C 241587962 OYKURWMNPITVPJ-OAHLLOKOSA-N 347.846 3.618 0 50 EHAA CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 242106325 WISPGNNKZLVBNH-YESZJQIVSA-N 335.469 3.526 0 50 EHAA 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C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1cccc(F)c1O 1772703639 MWSKYHZZULBBCL-GFCCVEGCSA-N 339.370 3.755 0 50 EHAA O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@H](Cc1ccccc1)C1CC1 1875304534 NAHSRUNELHBEAO-MDMXATFFSA-N 341.451 3.549 0 50 EHAA COc1ccc(Cc2nc(-c3cccnc3)nn2C2CCC2)c(C)c1 1875330979 KHPQEGVUKPQUMO-UHFFFAOYSA-N 334.423 3.973 0 50 EHAA CN[C@H](C)CC(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1 2325801434 IDXOTOSTBGIMFM-LLVKDONJSA-N 327.255 3.607 0 50 EHAA C[C@@H]1Oc2ccc(CN(C)Cc3cccc4ncccc34)cc2NC1=O 2325859906 PHGWDFSUGZGQES-AWEZNQCLSA-N 347.418 3.586 0 50 EHAA O=C(N=c1cc(-c2ccccc2)[nH][nH]1)c1cccnc1NC1CCCC1 2325860105 XSPWKNQKISRZBY-UHFFFAOYSA-N 347.422 3.500 0 50 EHAA O=C(Nc1cnc2cccnn12)c1occc1-c1ccc(F)c(F)c1 2325872480 ZQSYSSJOQRVKLK-UHFFFAOYSA-N 340.289 3.520 0 50 EHAA Cc1nccn1[C@@H](C)CC(=O)Nc1nn(CC2CC2)c2ccccc12 2356134932 JCJKGWFIRKULFD-ZDUSSCGKSA-N 337.427 3.541 0 50 EHAA O=C(O)c1c(N2C[C@H]3CCC[C@H]3C2)noc1-c1ccc(Cl)cc1 2356142250 KHQZMTDXFWJOCU-TXEJJXNPSA-N 332.787 3.930 0 50 EHAA COc1ccc(Cl)cc1-n1nc([C@H](C)O)nc1CCC=C(C)C 2356161194 KFQQSGQOZPOWQZ-LBPRGKRZSA-N 335.835 3.881 0 50 EHAA O=C(O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 226825 RQMWBEVLHVOEIT-IUCAKERBSA-N 345.708 3.895 0 50 EHAA Cc1ccc(Cn2ccc(NC(=O)c3cc(CC(C)C)on3)n2)cc1 2465795 GKXPFFIFPJDXTL-UHFFFAOYSA-N 338.411 3.679 0 50 EHAA aggregator O=[P@](O)(O[C@H](c1ccc(F)cc1)C(F)(F)F)c1ccccc1 4348201 RZTBXNRUCKJMNZ-CYBMUJFWSA-N 334.205 3.957 0 50 EHAA COc1cc(NC(=O)c2cccc(OC(C)=O)c2)c(OC)cc1Cl 4870291 WFKGKDZDAGETLD-UHFFFAOYSA-N 349.770 3.535 0 50 EHAA CCCc1cc(=O)[nH]c(SCC(=O)c2ccc3ccccc3c2)n1 9831789 XOYJBTVPYYUSCI-UHFFFAOYSA-N 338.432 3.851 0 50 EHAA CCc1nc(C)c(C(=O)N(Cc2ccc(F)cc2)C[C@H]2CCCO2)o1 55413689 RBOCISRGUACCLO-MRXNPFEDSA-N 346.402 3.506 0 50 EHAA C[C@@H](NC(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccc2ccccc2c1 116521930 FIPLAFIIVKDCON-BEFAXECRSA-N 348.450 3.833 0 50 EHAA CSc1ccc2cc(CN(C)Cc3ccncc3C)c(=O)[nH]c2c1 67908058 RODSXSGBRDAHBY-UHFFFAOYSA-N 339.464 3.585 0 50 EHAA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cnc2n1CCCC2 67723260 OBYKEEUVLPTXBT-LBPRGKRZSA-N 333.819 3.587 0 50 EHAA Cc1ccc(C(C)(C)C)c(OCCOCCN2C[C@@H](C)O[C@H](C)C2)c1 20166962 RLBQMDYNUFUHGQ-QZTJIDSGSA-N 349.515 3.797 0 50 EHAA Cc1nnc(NC(=O)N(C)Cc2cnc(-c3ccccc3)s2)s1 63834837 XOMMVHLKJWPVAW-UHFFFAOYSA-N 345.453 3.634 0 50 EHAA c1ccc(Oc2cccc(OCCCCN3CCNCC3)c2)cc1 22032662 FWXQQZHAIIHDAR-UHFFFAOYSA-N 326.440 3.543 0 50 EHAA CCc1nn(C)c(Cl)c1CN1CCc2[nH]c3ccc(F)cc3c2C1 179681010 WEBGAVGBLIYXMX-UHFFFAOYSA-N 346.837 3.815 0 50 EHAA COc1ccc(NC(=O)c2c(N)sc3c2CC[C@H](C)C3)c(OC)c1 2558478 GHMUPQNUHOMACF-JTQLQIEISA-N 346.452 3.725 0 50 EHAA Cc1ccc2c(c1)CCCN2C(=O)c1ccn(COc2ccccc2)n1 2800103 RQGSRAWTFKKANT-UHFFFAOYSA-N 347.418 3.821 0 50 EHAA CC[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)C12CC3CC(CC(C3)C1)C2 4651024 XIKYNLRAQBQZED-BFRNDWSSSA-N 345.483 3.765 0 50 EHAA CCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 4618283 PYULLXLISVYERN-UHFFFAOYSA-N 340.242 3.812 0 50 EHAA CC[C@@H](NC1CCN(c2ccccn2)CC1)c1ccc2c(c1)CCO2 124348551 ORYJLVNRWXNFJP-LJQANCHMSA-N 337.467 3.726 0 50 EHAA O=C(CNCc1ccc(Cl)cc1F)N1CCCc2ccccc21 438212278 HHMABOCLVAGECD-UHFFFAOYSA-N 332.806 3.548 0 50 EHAA Cc1ccc2nc([C@@H]3CCCN3C(=O)CSCC3CC3)[nH]c2c1 77322694 OGYAPCASBMXWBV-INIZCTEOSA-N 329.469 3.678 0 50 EHAA O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 30822671 MOWXAAQSBVCOGG-SFHVURJKSA-N 335.403 3.824 0 50 EHAA C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CCc1ccccc1C(=O)O 262252269 VPEUTZVIZZUYAK-LBPRGKRZSA-N 347.361 3.815 0 50 EHAA CCOc1c(Cl)cccc1CC(=O)N[C@@H](C)CCc1cccn1C 241707039 QMDPZHQAXPARMN-AWEZNQCLSA-N 348.874 3.757 0 50 EHAA O=C(C1=Cc2ccccc2OC1)N(Cc1ccco1)c1ccccn1 129504638 GWFADEJBCRDKJU-UHFFFAOYSA-N 332.359 3.684 0 50 EHAA CCOC1CC2(CCN(C(=O)c3csc(-c4ccc(C)o4)n3)C2)C1 286450817 YNTMIMUTJHGONT-UHFFFAOYSA-N 346.452 3.743 0 50 EHAA COc1ccc(F)c(F)c1CN1CCC[C@H](CN2CCCCC2)C1 77405982 QJDPDKANTVENGD-OAHLLOKOSA-N 338.442 3.671 0 50 EHAA COc1cc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)ccc1F 132715646 SOBIMBJQPYEQOF-INIZCTEOSA-N 345.370 3.644 0 50 EHAA Cc1nc2cc(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)ccc2[nH]1 82096684 AHTKKAMFYIENRR-VIFPVBQESA-N 328.441 3.778 0 50 EHAA O=C1Nc2ccccc2NC12CCN(CCC1CCCCC1)CC2 82114645 KMAQJRGJGRZFOY-UHFFFAOYSA-N 327.472 3.856 0 50 EHAA Cc1ccc(CN(C)C(=O)C2(Cc3ccc(F)cc3)CCOCC2)o1 292557062 XSHCCHGBFNUQBS-UHFFFAOYSA-N 345.414 3.725 0 50 EHAA CCCO[C@@H]1CCCN(C(=O)Nc2cc(-c3ccccc3)nn2C)C1 96162187 RKUFCHWHRRIPRL-MRXNPFEDSA-N 342.443 3.510 0 50 EHAA Cc1nc(CCCC(=O)Nc2ncn(C3CCCCC3)n2)cs1 182702892 XCJOZZHZMKRSAD-UHFFFAOYSA-N 333.461 3.510 0 50 EHAA CC(C)[C@@H](NC(=O)c1ccc(-c2ccncc2N)cc1)C(F)(F)F 534582843 KRRNWRNBVDAIOM-OAHLLOKOSA-N 337.345 3.648 0 50 EHAA Cc1cc(C(=O)N2CC[C@@H](c3ccc(O)cc3)C2)c2cnccc2c1 1875331228 VZDCBBBWTIXDAK-QGZVFWFLSA-N 332.403 3.879 0 50 EHAA Cc1nccn1CCCC(=O)N1CCC[C@@H]1c1nc(C(C)(C)C)co1 1775998838 JFSPHDYZZPTENH-OAHLLOKOSA-N 344.459 3.621 0 50 EHAA O=C(N[C@@H]1COc2ccccc21)N1CC=C(c2ccc(F)cc2)CC1 170600353 RCNAHQJXNUQVRE-GOSISDBHSA-N 338.382 3.758 0 50 EHAA O=C(Nc1cc(-c2ccncc2)n[nH]1)c1sccc1Br 171295387 LPFBKHGOKPALKO-UHFFFAOYSA-N 349.213 3.548 0 50 EHAA Cc1cccc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)c1Cl 190492599 XFIVLHOQUMKHRP-CQSZACIVSA-N 335.762 3.733 0 50 EHAA Cc1cc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)ccn1 193944471 RHLUHWQYCCRBSF-UHFFFAOYSA-N 341.386 3.656 0 50 EHAA COC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1Cl 1074584795 KRGLUBQLXOYHJV-ZANVPECISA-N 335.753 3.904 0 50 EHAA Cc1c(C(=O)N2CC[C@](C)(O)[C@H](CC(C)C)C2)[nH]c2ccc(F)cc12 211303755 REWUSUCNACNNED-VLIAUNLRSA-N 346.446 3.875 0 50 EHAA COc1cc(-c2noc(-c3ccccc3C)n2)cc(OC)c1OC 5101778 SVSNIFAPBOUYRH-UHFFFAOYSA-N 326.352 3.738 0 50 EHAA CCCN1CCC(CC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 11934532 DPPUMZOMZBRZKH-HXUWFJFHSA-N 343.515 3.602 0 50 EHAA CCC(=O)NC[C@H](C)Oc1cccc(CN(C)Cc2ccsc2)c1 12332846 AHNHHVWKJODVRR-HNNXBMFYSA-N 346.496 3.674 0 50 EHAA O=C(c1cc(COc2c(F)cccc2F)on1)N1CCCCCC1 12575603 DRTMYUITEOTMLB-UHFFFAOYSA-N 336.338 3.548 0 50 EHAA COc1ccccc1-c1c(Cc2ccccc2)nn2c(=O)cc(C)[nH]c12 15658987 AVWRDOBTYUPSBK-UHFFFAOYSA-N 345.402 3.597 0 50 EHAA CCN1CCC(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)CC1 16602751 INIDXRAUCBVPJM-UHFFFAOYSA-N 346.515 3.742 0 50 EHAA CC[C@@H](N)CNc1nc(-c2cc(Cl)ccc2O)nc2ccccc12 165803084 KTDRFFCAMFPUFZ-GFCCVEGCSA-N 342.830 3.805 0 50 EHAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C 230112559 FFPCTJXCIKXZHH-BMGDILEWSA-N 349.519 3.631 0 50 EHAA CCC1(CNC(=O)Cc2csc(-c3ccccc3)n2)CCOCC1 266640652 KXHJJHVCRRNWSV-UHFFFAOYSA-N 344.480 3.676 0 50 EHAA Cc1cnc2c(c1)N(C(=O)c1nc3ccccc3cc1C1CC1)CCO2 904078422 CHDCMIWZYWACNB-UHFFFAOYSA-N 345.402 3.855 0 50 EHAA Cc1ccc(N[C@H](C)C2=Cc3ccccc3OC2)cc1N1CCNC1=O 2325773789 FELCRERFQNPPTL-OAHLLOKOSA-N 349.434 3.801 0 50 EHAA C[C@@H]1C[C@@H](c2noc(/C(F)=C/C3CCCCC3)n2)CCS1(=O)=O 2325783634 OWHRVVCKVCSKCY-FSFOXSDBSA-N 342.436 3.641 0 50 EHAA COc1cc(-c2nc(-c3ccccc3OC)no2)c2ccccc2n1 904268101 XFKWVWHASSNYEM-UHFFFAOYSA-N 333.347 3.969 0 50 EHAA COc1c(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(C)nn1C 115123042 ZTWCPJWGCURIII-UHFFFAOYSA-N 345.786 3.903 0 50 EHAA Cc1cc(C)c(S(=O)(=O)Nc2cccc(/C=C/C(=O)O)c2)c(C)c1 46730 MKFZMVNUDTUTER-BQYQJAHWSA-N 345.420 3.510 0 50 EHAA COc1ccc(C2(C(=O)NC3CCCCC3)CCCC2)cc1OC 94741 XMMNVKPCFTWHBK-UHFFFAOYSA-N 331.456 3.965 0 50 EHAA CCc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 121856 SMQDMSWJDRKGAX-UHFFFAOYSA-N 340.810 3.680 0 50 EHAA Cc1cccc(C(=O)N(C(=O)c2cccc(C)c2)c2ncccn2)c1 209618 XZQXJZYTVXNIOJ-UHFFFAOYSA-N 331.375 3.581 0 50 EHAA O=C(/C=C/c1ccccc1)Nc1sc2c(c1C(=O)O)CCCC2 210990 SDJSLSJBWUWELZ-ZHACJKMWSA-N 327.405 3.977 0 50 EHAA CCC(=O)Nc1cc2nn(-c3ccc(OC)c(Cl)c3)nc2cc1C 280127 NFLABAADGSIFMI-UHFFFAOYSA-N 344.802 3.739 0 50 EHAA O=c1c(-c2ccc(Br)cc2)coc2cc(O)cc(O)c12 304562 TWOWQJIYFREVJJ-UHFFFAOYSA-N 333.137 3.634 0 50 EHAA biogenic CCOc1ccc(C(=O)NC(=S)Nc2ccc(CC)cc2)cc1 450624 NUWRWMKVXDOQIO-UHFFFAOYSA-N 328.437 3.775 0 50 EHAA COc1ccccc1N1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 858488 HEBHAHRCUXHCPK-UHFFFAOYSA-N 344.842 3.619 0 50 EHAA c1ccc2c(c1)C[C@@H]1OC(CC3=N[C@@H]4c5ccccc5C[C@@H]4O3)=N[C@H]21 1081225 BDHSVQLSNIGJNC-ZCLUNYJNSA-N 330.387 3.566 0 50 EHAA in-vitro Cc1c(Br)c(C(=O)Nc2cccc3ccccc23)nn1C 2762761 QQUZJSTXFRKQDX-UHFFFAOYSA-N 344.212 3.897 0 50 EHAA Cc1ccccc1NC(=O)CCCC(=O)OCC(F)(F)C(F)F 2904846 UADPEBJWQVTPBO-UHFFFAOYSA-N 335.297 3.547 0 50 EHAA CC(C)(C)NCCCCOc1ccc(I)cc1 2933533 RNZWDPCPBQBDMN-UHFFFAOYSA-N 347.240 3.838 0 50 EHAA CCC(=O)c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4986190 FQENQJACPLWMIV-UHFFFAOYSA-N 341.451 3.743 0 50 EHAA O=C(CN1CCCCC1)Nc1ccc(NC(=O)C2CCCCC2)cc1 6242196 BEBNBJFWEGCZNG-UHFFFAOYSA-N 343.471 3.630 0 50 EHAA CCc1ccc(CN2CCC[C@](CO)(Cc3cccc(OC)c3)C2)o1 12440487 DLDVWXNHJYCVIT-NRFANRHFSA-N 343.467 3.668 0 50 EHAA COc1ccc(Cc2nc3ccc(C(=O)N4CCCC4)cc3o2)cc1 15073385 PNDNGWKKJVHRBR-UHFFFAOYSA-N 336.391 3.663 0 50 EHAA CCCCNC(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 20582923 YUDOJLVNWORRLV-UHFFFAOYSA-N 344.286 3.621 0 50 EHAA CC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@H]1C)[C@H]3[C@H]2C 43736024 YMPPYMYJLCYPBO-UWHVPJHESA-N 330.424 3.751 0 50 EHAA biogenic Cc1cc(C(=O)N(C/C=C/c2ccccc2)CCO)ccc1Cl 55342157 UNLRXYUHGAZOGG-VMPITWQZSA-N 329.827 3.796 0 50 EHAA Fc1ccccc1N1CCN(Cc2ccccc2Br)CC1 55542893 JKXAGLFDEWGOHH-UHFFFAOYSA-N 349.247 3.910 0 50 EHAA CC(C)C[C@H](C)NC1CCN(c2cccc(N3CCCC3=O)c2)CC1 63884281 SPJGXMIFNSZRLG-KRWDZBQOSA-N 343.515 3.806 0 50 EHAA c1cc(CN2CCC(c3ccncc3)CC2)cc(Cn2cccn2)c1 65394824 MUSYVFNBSKMZLR-UHFFFAOYSA-N 332.451 3.706 0 50 EHAA Clc1ccc([C@H]2CN(CCCn3cccn3)CCO2)cc1Cl 71751910 PNAKIIJGAGLCNA-MRXNPFEDSA-N 340.254 3.654 0 50 EHAA COc1ccc(-n2ccnc2-c2ccc([C@@H]3CCCCO3)o2)cn1 72127178 JEJGIASTCOPICD-AWEZNQCLSA-N 325.368 3.778 0 50 EHAA CC(C)(C)c1cc(Cn2cc(-c3ccc(F)c(Cl)c3)nn2)[nH]n1 91645750 HNYYBMLTEMWDGB-UHFFFAOYSA-N 333.798 3.807 0 50 EHAA C[C@@H](NC(=O)N(C)CCCn1ccnc1)c1ccc2ccccc2c1 131366762 IGGQLUIBYPMCMN-MRXNPFEDSA-N 336.439 3.829 0 50 EHAA C[C@H](C(=O)Nc1cccc(N2CCOC2=O)c1)c1c(F)cccc1F 134251299 AILSSPIWLNXAIW-NSHDSACASA-N 346.333 3.664 0 50 EHAA CC(C)c1ccccc1OC[C@@H](O)Cn1nccc1-c1cccnc1 152247974 HCHZABLECCJCAX-KRWDZBQOSA-N 337.423 3.508 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@H]1Cc1cccc(F)c1 155055854 DXJAXGMPBYYNIF-ACJLOTCBSA-N 343.446 3.893 0 50 EHAA C[C@@H]1C[C@@H](NC(=O)Nc2ccsc2)CCN1Cc1ccccc1 157155445 MNGQGRWQGKPIMI-ZBFHGGJFSA-N 329.469 3.923 0 50 EHAA CN(CCCn1ccnc1)c1ccnc2cc(Br)ccc12 170672916 RDOYBZSZBVPJOH-UHFFFAOYSA-N 345.244 3.720 0 50 EHAA CC(C)n1cc(CN2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cn1 179377791 NFJSYBLPKXBFEZ-QGZVFWFLSA-N 337.826 3.830 0 50 EHAA Cc1ccc2[nH]c([C@H]3CCCN(C(=O)Nc4ccccn4)C3)nc2c1 185522249 UPBOTZPMDRIUHP-AWEZNQCLSA-N 335.411 3.678 0 50 EHAA CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CCOc2c(F)cccc21 188956890 RODVYXRDMYVSJG-INIZCTEOSA-N 345.418 3.945 0 50 EHAA O=C(NCc1ccco1)c1cc(N[C@H]2C[C@@H]2c2ccccc2)ccn1 214898679 QXYSYPUGUNMRLC-MSOLQXFVSA-N 333.391 3.573 0 50 EHAA O=C(CCc1c[nH]c2ccccc12)NC[C@@H]1OCCc2ccccc21 215028539 HLHKPWHXNTTYNJ-FQEVSTJZSA-N 334.419 3.531 0 50 EHAA C[C@@H](NC(=O)N(C)CCCCO)c1ccc(Cl)c2ccccc12 225564497 AQSYIMVOXAOJMS-CYBMUJFWSA-N 334.847 3.968 0 50 EHAA CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1csc(CN)n1 236719565 QYJTYUNQALZBHB-OAHLLOKOSA-N 337.876 3.725 0 50 EHAA C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccnc(C(=O)O)c1 237393911 AKGIIJUHQWTYLW-NEPJUHHUSA-N 346.814 3.697 0 50 EHAA O=C(O)c1ccc(C(=O)NC(c2cccs2)c2cccs2)o1 238003417 XYFAUZXLQAXUOO-UHFFFAOYSA-N 333.390 3.620 0 50 EHAA FC(F)c1cc(Br)cc(I)c1 238605237 MHPWPQZTEFJFSL-UHFFFAOYSA-N 332.913 3.991 0 50 EHAA Cc1ccc2oc(C(=O)Nc3cc(-n4cnnn4)ccc3C)c(C)c2c1 238899371 GAOBVYIJCKVCQQ-UHFFFAOYSA-N 347.378 3.586 0 50 EHAA Cc1cnn(CCC(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c1 244874552 XDCGTGWUGHVVJF-GOSISDBHSA-N 329.419 3.865 0 50 EHAA Cc1ccc(SCC(=O)NCCc2ccc(C(C)C)cc2)nc1 252569042 VUZBAHFVRXTMAT-UHFFFAOYSA-N 328.481 3.964 0 50 EHAA O=C(O)CC[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 261846398 ZIWCBFYRNUUUMY-NSHDSACASA-N 335.400 3.757 0 50 EHAA Cc1ccc(Nc2nc(CN3C[C@@H](C(=O)O)C[C@@H](C)C3)cs2)cc1 263110620 BSDSXXDVMLSKHH-KGLIPLIRSA-N 345.468 3.738 0 50 EHAA COc1cccc([C@@H]2CCCN2C(=O)c2ccnc(C(C)C)n2)c1 299785477 RVAAXRGOODGAOO-KRWDZBQOSA-N 325.412 3.586 0 50 EHAA C[C@H](CN[C@@H](c1ccc(F)cc1)c1nc[nH]n1)Sc1ccccc1 340251494 KZRTXBOPFPRNCQ-DYVFJYSZSA-N 342.443 3.804 0 50 EHAA CCCn1ncnc1-c1cccc(C(=O)N[C@@H](C)c2ccc(C)nc2)c1 584891471 HDTCOGSMLARYFV-HNNXBMFYSA-N 349.438 3.550 0 50 EHAA COCCCCCC(=O)N[C@@H](c1ccncc1)c1ccc(C)cc1 670421761 SWCWECCNFZWCER-HXUWFJFHSA-N 326.440 3.802 0 50 EHAA O=C(Nc1nnc(C2CCC2)s1)c1cc2ccccc2c(=O)s1 828147272 GRBIIOVTZPGSBR-UHFFFAOYSA-N 343.433 3.633 0 50 EHAA CCc1nc(CNc2ncnc3cc(Br)sc23)co1 845559119 UMLTYTKBHFUWFJ-UHFFFAOYSA-N 339.218 3.616 0 50 EHAA CCc1c(-c2csc([C@H]3CCCN3C(C)=O)n2)[nH]c(C)c1C(C)=O 864368159 KUBXPNGJKZPEPH-OAHLLOKOSA-N 345.468 3.895 0 50 EHAA CCc1noc2ncc(C(=O)N3CCCCC[C@H]3C(F)(F)F)cc12 906185932 ZDJPWFLPSICKAB-ZDUSSCGKSA-N 341.333 3.732 0 50 EHAA c1cnc2[nH]cc([C@H]3CCCN(CCSc4ccncc4)C3)c2c1 931372173 JSQLXWCWMXJRKR-HNNXBMFYSA-N 338.480 3.930 0 50 EHAA O=C(CN1CCCCCC1)Nc1ccc([C@H](O)c2cccs2)cc1 952972408 XJTHODFXXOOQLV-IBGZPJMESA-N 344.480 3.644 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332.256 3.684 0 50 EHAA COC[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 219492375 VVRRSRRXTHJFBU-SNVBAGLBSA-N 335.753 3.857 0 50 EHAA COc1ccccc1C1CCN(C(=O)c2csc(SC)n2)CC1 222447671 PHYKVCFWQHLSEG-UHFFFAOYSA-N 348.493 3.893 0 50 EHAA CC(C)n1ccc(CN2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@H]32)n1 239352113 ABCNLPOWSXEZBN-JQHSSLGASA-N 347.503 3.939 0 50 EHAA CCN(CC)CCc1ccc(NC(=O)CCc2ccncc2)cc1 252490456 KTXQBZYAPBYIFI-UHFFFAOYSA-N 325.456 3.537 0 50 EHAA Cc1ccc(Cl)cc1CNC(=O)c1cc(-c2cccnc2)on1 252548968 QNWXRXHCBJCVPD-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA CCCc1noc(-c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)n1 263617686 PBOAUNDYQUWKKM-OAHLLOKOSA-N 344.802 3.811 0 50 EHAA Cc1noc(C)c1[C@H](C)CNC(=O)c1cn(C)nc1C1CCCCC1 269835439 MYXLFNQBOFGIQA-GFCCVEGCSA-N 344.459 3.606 0 50 EHAA Fc1cc(F)cc(CN(Cc2ccccn2)[C@@H]2CCCNCC2)c1 275587524 HGIQSQOKUNFMHR-LJQANCHMSA-N 331.410 3.504 0 50 EHAA CC[C@@](C)(OC)c1noc([C@@H]2CC(=O)N(c3ccccc3Cl)C2)n1 290188431 UIRUXZYEMNXCLG-PIGZYNQJSA-N 349.818 3.515 0 50 EHAA 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NC[C@@]12CCCC[C@H]1CN(C(=O)c1cc(Cl)cc(Cl)c1)C2 2325774896 DNOXVPLMUWBMQC-BLLLJJGKSA-N 327.255 3.585 0 50 EHAA CC1CCN(C(=O)NC[C@@H]2CCCN2c2ccc(Cl)cc2)CC1 2325899946 FWBRVMLJACGKIF-KRWDZBQOSA-N 335.879 3.750 0 50 EHAA Cc1cccc(C)c1NC(=O)N1CCC[C@]12CCCN(C(C)C)C2=O 2356135190 SOWYTIWYQDRWKS-FQEVSTJZSA-N 343.471 3.701 0 50 EHAA O=C(COc1ccc(Cl)cc1Br)Nc1cccnc1 36271 NVYHJLBYNNTUAR-UHFFFAOYSA-N 341.592 3.515 0 50 EHAA O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccccc2)CC1 60711 ODPYJZLEKFJHAW-UHFFFAOYSA-N 335.234 3.956 0 50 EHAA Cc1cc(C)n(C[C@@H](O)COc2ccc3ccccc3c2Cl)n1 106578 VKGBFCYAWKEJJK-OAHLLOKOSA-N 330.815 3.746 0 50 EHAA COc1c(Cl)cnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O 209150 VOFCXMHNUNIDQE-UHFFFAOYSA-N 339.100 3.567 0 50 EHAA COc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)cc1OC 277504 YYBMFIBVVFJUPK-UHFFFAOYSA-N 340.467 3.643 0 50 EHAA O=C(Nc1cccc(F)c1)c1ccc(I)cc1 341477 HLLQFFRWMKYCJQ-UHFFFAOYSA-N 341.123 3.683 0 50 EHAA Cc1ccc(SC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 351785 MEMBZMMLZSMOLR-UHFFFAOYSA-N 339.416 3.690 0 50 EHAA 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338.455 3.594 0 50 EHAA C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)[C@H]1C[C@H]1c1cccnc1 247979362 WKXFUHJKZQCZHZ-KRUJCJHPSA-N 336.435 3.562 0 50 EHAA Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3Cl)C2)no1 248063219 WDLLEXQBMUUFBZ-VHDGCEQUSA-N 345.830 3.541 0 50 EHAA COCCN(Cc1cn2ccc(C)cc2n1)Cc1ccc(C)s1 252497585 QKKXLGKBBSIRBQ-UHFFFAOYSA-N 329.469 3.661 0 50 EHAA O=C(Nc1cc(F)c(Br)cc1Cl)c1ccncc1 252500652 SZTSTQBRYQONGV-UHFFFAOYSA-N 329.556 3.889 0 50 EHAA C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H]1CCCCN1C1CCCC1 253431359 GWCYOXOQMXOOOS-OXJNMPFZSA-N 344.499 3.627 0 50 EHAA CCC(C)(C)C1CCC(CC(=O)N2CCc3ncnc(O)c3C2)CC1 253535162 SSANNWJZLMEQTE-UHFFFAOYSA-N 345.487 3.700 0 50 EHAA O=C(O)c1cccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 263391177 FGNMAAFLJJCBRX-AWEZNQCLSA-N 327.346 3.939 0 50 EHAA Cn1cncc1[C@H]1C[C@H](NCc2cc3ccccc3s2)CCO1 275695849 XFDMSAUQYQKYIT-RHSMWYFYSA-N 327.453 3.645 0 50 EHAA Cc1noc([C@@H]2CCN(C(=O)c3oc4c(C)ccc(C)c4c3C)C2)n1 328591159 DSIFLHZGORZOBL-CQSZACIVSA-N 339.395 3.679 0 50 EHAA CC(C)n1cc2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc2n1 488228017 HSACXYLFGVOPLT-UHFFFAOYSA-N 335.367 3.853 0 50 EHAA COc1cc(C(=O)O)cc(OC)c1-c1ccc([C@@H](C)N(C)C)cc1 534647856 JRDDPWUMHIQAOH-GFCCVEGCSA-N 329.396 3.692 0 50 EHAA C[C@@H](OC(=O)c1n[nH]c2ccc(Br)cc12)c1cccnc1 733494933 FYWZPCFQGJWHOH-SECBINFHSA-N 346.184 3.638 0 50 EHAA COc1ccccc1Oc1ccc(NC(=O)[C@]2(C(=O)O)C[C@H]2C)cc1 901813542 QMUXJTNYPPSYAI-BLVKFPJESA-N 341.363 3.537 0 50 EHAA CCn1ccnc1[C@@H]1CCCCN1C(=O)Nc1ccc(C2CC2)cn1 933962479 PLCOKHMQFXRHHJ-INIZCTEOSA-N 339.443 3.935 0 50 EHAA CCCn1ncc(C)c1NC(=O)Cc1ccc(C(F)(F)F)cc1 1506401420 JIZURPSCAZKPBI-UHFFFAOYSA-N 325.334 3.802 0 50 EHAA CN(Cc1cc(C(F)(F)F)ccc1F)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529190726 NEDFJWFIKJBMDE-HGSJOUDDSA-N 331.353 3.826 0 50 EHAA C[C@@]1(O)CCC[C@H]1NCc1coc(-c2ccccc2C(F)(F)F)n1 2325772018 MKDWOQLRWKCVDO-GDBMZVCRSA-N 340.345 3.754 0 50 EHAA NC[C@@]12CCCC[C@@H]1CN(C(=O)c1cc(Cl)cc(Cl)c1)C2 2325774898 DNOXVPLMUWBMQC-MLGOLLRUSA-N 327.255 3.585 0 50 EHAA CCS[C@@H]1CCC[C@@H]1NC(=O)N1CCC(c2cc(C)no2)CC1 2325818412 LPTVSWVJCTURDM-GOEBONIOSA-N 337.489 3.546 0 50 EHAA Cc1ccccc1[C@@H](C)N(C)C(=O)c1nnc2c(F)cccc2c1O 2325843119 VSADMNOITQPNQS-GFCCVEGCSA-N 339.370 3.616 0 50 EHAA CCCN1CCC[C@]2(CCCN2Cc2ccc3ccccc3n2)C1=O 2356138284 LCUSQSJTZJKDSZ-NRFANRHFSA-N 337.467 3.602 0 50 EHAA COc1ccc(Br)cc1-c1nc2ccc(C)cc2c(=O)o1 367884 HIGBEYGSMLCSKU-UHFFFAOYSA-N 346.180 3.935 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1 443526 RBUYEYLOGVLZJH-ZDUSSCGKSA-N 329.421 3.983 0 50 EHAA O=C(NC1CCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 455475 OGJWFPOCBXCIQA-UHFFFAOYSA-N 338.854 3.750 0 50 EHAA C/C=C/c1ccc(OCCn2cnc3ccccc3c2=O)c(OC)c1 613958 FWCJGROUAXGXKF-ZZXKWVIFSA-N 336.391 3.517 0 50 EHAA COC(=O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12 1216344 CWBVLMZATRONDK-UHFFFAOYSA-N 329.359 3.850 0 50 EHAA CCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 2743460 VHPPTOPHTYUOMA-AWEZNQCLSA-N 327.380 3.659 0 50 EHAA C[C@@H](O)CNCCCOc1ccc(C(C)(C)c2ccccc2)cc1 2881690 CDPJFWMMHCZUGY-QGZVFWFLSA-N 327.468 3.752 0 50 EHAA CCC(=O)Nc1cccc(NC(=O)COc2cccc(C)c2C)c1 2968029 SRWXATIXLHXWLE-UHFFFAOYSA-N 326.396 3.669 0 50 EHAA Cc1ccc(SCCNS(=O)(=O)c2ccc(Cl)cc2)cc1 2971132 VGVGXOMUVCZTAF-UHFFFAOYSA-N 341.885 3.719 0 50 EHAA COC(=O)C1CCN(C(=O)/C(=C\c2ccccc2)c2ccccc2)CC1 4917918 CLGPIQAQRRBWBC-SILNSSARSA-N 349.430 3.639 0 50 EHAA COc1nc(OC)c(C(c2ccccc2)c2ccccc2)c(OC)n1 5060511 YQMPYTCBXOJIOC-UHFFFAOYSA-N 336.391 3.683 0 50 EHAA Cc1ccc(Oc2ncccc2CNC(=O)c2cccc(F)c2)cn1 11937062 FCANPWHROZNGHQ-UHFFFAOYSA-N 337.354 3.646 0 50 EHAA C[C@@H](Cc1cc(C(=O)N(C)CCc2ccccn2)on1)c1ccccc1 12218538 FGQJRJTXUZYMAS-INIZCTEOSA-N 349.434 3.731 0 50 EHAA CC(C)(C)CN1CCC[C@@]2(CCN(C(=O)CCC3CCCC3)C2)C1=O 12314048 MZFWFZPNVZLJAZ-NRFANRHFSA-N 348.531 3.844 0 50 EHAA CC(C)(C)C(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1 12381284 ZDKDYRPJNNCPTK-UHFFFAOYSA-N 329.271 3.684 0 50 EHAA CC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)s1 12448786 HMFLGCDTHLGKHT-OAHLLOKOSA-N 328.437 3.667 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)Cc2ccc3c(C)cc(=O)oc3c2)c1 55099470 WOYBXYRTSCNKTE-MRXNPFEDSA-N 336.435 3.868 0 50 EHAA Fc1cc(F)cc(Cc2nc3c4c(Cl)cccc4ncn3n2)c1 61718499 HQBATYLWKQSPED-UHFFFAOYSA-N 330.725 3.800 0 50 EHAA Cc1nc(CN(C)Cc2nc(-c3cccc(Cl)c3)oc2C)no1 67947628 XOSXTQCNFRWDFL-UHFFFAOYSA-N 332.791 3.627 0 50 EHAA Cc1noc(C)c1CC(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71422389 QKYPUWZLVWGZLE-QGZVFWFLSA-N 344.430 3.844 0 50 EHAA CN(Cc1cccc2ncccc12)C(=O)c1cccc([C@H]2CCNC2)c1 72124102 JRLXHNISFVYHTN-SFHVURJKSA-N 345.446 3.584 0 50 EHAA COc1ccc(CCNC(=O)N(C)[C@H](C)c2nc(C)sc2C)cc1 72149919 CPMAUMPXZJIFBV-GFCCVEGCSA-N 347.484 3.714 0 50 EHAA CC(C)n1cc(C(=O)NCCc2nc(-c3ccccc3)cs2)cn1 77287501 WHWJUCVQQDNBLM-UHFFFAOYSA-N 340.452 3.560 0 50 EHAA CC(C)Cc1cc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)n(C)n1 82096622 XQOUCVWRRUYPOK-OAHLLOKOSA-N 345.874 3.902 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)c(F)c1 82125942 JWYLCHSKNAWRQH-MRXNPFEDSA-N 341.430 3.760 0 50 EHAA O=C(c1ccc(Cl)s1)N1CCC[C@@H](OCc2cccnc2)C1 82161886 LIUWNUYSHJMEEZ-CYBMUJFWSA-N 336.844 3.618 0 50 EHAA Cc1ncsc1C(=O)N1CCC[C@H](c2nc3c(C)cccc3[nH]2)C1 82166940 HRJHKCVJCFIUSY-ZDUSSCGKSA-N 340.452 3.656 0 50 EHAA CC(C)n1ccnc1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 91745326 MFVBZNBXCHEROV-UHFFFAOYSA-N 336.439 3.965 0 50 EHAA Cc1cc(C)c2c(N[C@H](c3nc(C4CC4)no3)C(C)C)ncnc2n1 95377850 CLMVTDQGBHQFDD-AWEZNQCLSA-N 338.415 3.711 0 50 EHAA CCSCCN(C(=O)c1nn(C)cc1Cl)C1CCCCC1 97468293 UOSHFVODHRPNBX-UHFFFAOYSA-N 329.897 3.602 0 50 EHAA COc1cccc2c1CC[C@@H]2NC(=O)c1nc(C(C)C)ncc1Cl 121948726 WPJCBKMGWGXQCB-AWEZNQCLSA-N 345.830 3.679 0 50 EHAA CCCn1cc(NC(=O)N2CC=C(c3ccccc3F)CC2)cn1 125086988 MBYSMAIZOYERPS-UHFFFAOYSA-N 328.391 3.753 0 50 EHAA CCn1cc(C(=O)NCC2([C@H](O)c3ccccc3)CC2)c2ccccc21 178932665 IHKJEJOWOLHRKX-HXUWFJFHSA-N 348.446 3.905 0 50 EHAA CCCN(Cc1cc[nH]n1)Cc1nnc(-c2ccccc2Cl)o1 179673280 PKCATFQPRADKTQ-UHFFFAOYSA-N 331.807 3.525 0 50 EHAA c1ccc(COc2cccc(CN3CCC[C@H](c4ccn[nH]4)C3)c2)nc1 179856766 RWNXJQBUPCWAMM-SFHVURJKSA-N 348.450 3.763 0 50 EHAA CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2ccc(-n3cccn3)cc2)n1 190392283 BXIXYZCZNZVSBE-HOTGVXAUSA-N 338.411 3.841 0 50 EHAA C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCc2cc(Cl)ccc2C1 191550076 MHUIEAVAYPDUIK-ZDUSSCGKSA-N 344.842 3.745 0 50 EHAA O=C(NCCc1ccccn1)Nc1nc2c(s1)CCCCCC2 194504162 DAUZTNWZRLXUFC-UHFFFAOYSA-N 330.457 3.561 0 50 EHAA Cc1sc2nc([C@@H]3CSc4ccccc4O3)[nH]c(=O)c2c1C 225663229 NZTFCEOFUWOOMG-NSHDSACASA-N 330.434 3.827 0 50 EHAA CC(C)Cn1ccc2c(OCC(=O)Nc3nccs3)cccc21 252508687 XQWDLMVKJJONBL-UHFFFAOYSA-N 329.425 3.771 0 50 EHAA COC(=O)Nc1cccc(NCc2ccc(N(C)C(C)C)nc2)c1 252509104 YCNGVHIJSVPBGX-UHFFFAOYSA-N 328.416 3.717 0 50 EHAA CC[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc(F)cc1F 252517381 HFCJJLFLFOGFOY-OCBCSQNSSA-N 336.426 3.653 0 50 EHAA O=C(c1ccccc1F)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 278353194 GQLGLKVTJCVPSJ-SNVBAGLBSA-N 341.308 3.587 0 50 EHAA COc1ccccc1C[C@@H](C)Nc1ccc2c(c1)N(C(N)=O)CCC2 278740542 RTRGRYYILNZRIC-CQSZACIVSA-N 339.439 3.570 0 50 EHAA COc1ccc(-c2cc(C(=O)NCc3cc(F)ccc3C)no2)cc1 334162268 LPPWLUSNVURLFK-UHFFFAOYSA-N 340.354 3.728 0 50 EHAA Cc1csc(CN(C)C(=O)c2cccc(-c3[nH]c(C)nc3C)c2)n1 584903703 MYVCALOGIVQUNH-UHFFFAOYSA-N 340.452 3.731 0 50 EHAA O=C1C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)C2(CCCC2)O1 827693817 RLVUMLDEKZKWKG-SFHVURJKSA-N 349.430 3.768 0 50 EHAA CCn1ccc(C(=O)Nc2cccc3c2OC(C)(C)C[C@H]3O)c1C 885664330 QFAOYKOQQQQMCV-MRXNPFEDSA-N 328.412 3.663 0 50 EHAA Cc1ccc([C@@H](NC(=O)c2cc(C3CC3)nn2C)c2ccccn2)cc1 935744628 UBRNJNMQOZKKIR-HXUWFJFHSA-N 346.434 3.520 0 50 EHAA CC(C)(C)c1csc(CNC(=O)c2ccc(CN3CCCC3)o2)n1 952975864 ZDHOAQRWDJEOSC-UHFFFAOYSA-N 347.484 3.559 0 50 EHAA COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)C=C1CCC1)CC2 1334073553 XRCJFROTCGEVIU-HXUWFJFHSA-N 327.424 3.650 0 50 EHAA Cc1c(-c2ccccc2)noc1NC(=O)CC[C@@H]1CCCCN1C 1506405046 WYLFRUXPYPPOBI-INIZCTEOSA-N 327.428 3.853 0 50 EHAA COc1cc(OC)c2nc(N(C)CCC[C@H]3CCCO3)cc(C)c2c1 1529145971 RGUTYDWFNHRWRO-HNNXBMFYSA-N 344.455 3.956 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 1848443742 XHCCPSKYYJBSAA-LWYMYGHISA-N 332.484 3.774 0 50 EHAA Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cc1C 1857675993 AKBOYSPLIDELBM-XJUOHMSHSA-N 349.474 3.902 0 50 EHAA Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H]3CCC[C@@H]4C[C@@H]43)c12 1875266632 YKCRYISGHNTEQE-MBNYWOFBSA-N 337.379 3.710 0 50 EHAA CC[C@H](C)N1CCC(NC(=O)NCC2(c3ccccc3)CCC2)CC1 1875342464 SJCLGXIUBGGMMG-KRWDZBQOSA-N 343.515 3.670 0 50 EHAA NCc1cccc(CNC(=O)N(Cc2ccccc2)CC2CCC2)c1 2325766280 PYDMNTHOONOGMK-UHFFFAOYSA-N 337.467 3.657 0 50 EHAA CO[C@@H](C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cc(F)cc(F)c1 2325766397 ALFZBXJSCJRBRA-XNAIMREJSA-N 347.361 3.681 0 50 EHAA Cc1nc([C@H]2CCCN2C(=O)c2ccc3cccc(CN)c3c2)[nH]c1C 2325796148 VYIZHIUDTBAHEN-LJQANCHMSA-N 348.450 3.616 0 50 EHAA FC(F)Oc1cc2c(cc1CNCC1(C3CCC3)CC1)OCO2 2325842671 FAQLYQMYTNVMHN-UHFFFAOYSA-N 325.355 3.687 0 50 EHAA COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 129768 BTCGSBWQZDSBSE-GFCCVEGCSA-N 347.798 3.841 0 50 EHAA Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)nc1-c1ccccc1 204906 OAJOTIZEIAAZEE-UONOGXRCSA-N 344.436 3.948 0 50 EHAA COCc1cc(C)nc2sc(C(=O)Nc3cccc(C)c3)c(N)c12 210872 UDCLUSCNSYUGSS-UHFFFAOYSA-N 341.436 3.894 0 50 EHAA O=C(O)c1cc(-c2ccccn2)nc2ccc(Br)cc12 224947 WNXWWXFTFGLCEC-UHFFFAOYSA-N 329.153 3.758 0 50 EHAA Cc1cccc(C(=O)Nc2ccc(I)cc2)c1 291895 STPGMGRARZZPSI-UHFFFAOYSA-N 337.160 3.852 0 50 EHAA CC[C@@H]1CCCCN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 303044 JWMDWWPWJQCFLN-BOLDSZDNSA-N 333.428 3.517 0 50 EHAA CCCc1cc(=O)oc2cc(OCc3ccc(C(=O)O)o3)ccc12 318706 BWFBOGJOAIHDFG-UHFFFAOYSA-N 328.320 3.616 0 50 EHAA biogenic O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)cc2)on1 3907700 AUJONARSDDOJNW-UHFFFAOYSA-N 342.738 3.976 0 50 EHAA CCOc1cccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)c1 4805958 QBPJOYWUFRXIOR-UHFFFAOYSA-N 333.409 3.803 0 50 EHAA COc1ccc(NC(=O)c2c(N)sc3c2CC[C@@H](C)C3)c(OC)c1 6250399 GHMUPQNUHOMACF-SNVBAGLBSA-N 346.452 3.725 0 50 EHAA COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1 6697164 ALPBVQKUHQHWNU-UHFFFAOYSA-N 344.374 3.657 0 50 EHAA O=C(CCc1nnc(CCCCc2ccccc2)o1)NC1CCCC1 11879509 KSDZKABQMQRGIR-UHFFFAOYSA-N 341.455 3.626 0 50 EHAA CN(C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1)C1CCCCC1 12431279 FUHDNWVXLNTJIC-KRWDZBQOSA-N 334.504 3.596 0 50 EHAA COCC(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 12459466 KZEOYOBFNHOAQS-UHFFFAOYSA-N 348.402 3.540 0 50 EHAA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)cc1 14396979 WMBOHTGEEZOJHG-UHFFFAOYSA-N 338.407 3.700 0 50 EHAA C[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@@H](C)O)cc2)cc1 17162454 MIUUNYUUEFHIHM-IYBDPMFKSA-N 344.451 3.532 0 50 EHAA biogenic,in-vitro CSc1ncc(C(=O)O)c(Nc2ccc(C(F)(F)F)cc2)n1 35287584 OPYHQOTZSQNMFL-UHFFFAOYSA-N 329.303 3.659 0 50 EHAA in-vitro Fc1cccc(Cn2ncc3[nH]c(-c4ccc(-c5ccn[nH]5)o4)nc32)c1 48488804 CEIXDHAGCSTMLM-UHFFFAOYSA-N 348.341 3.597 0 50 EHAA Cc1cc(C)n(C[C@H](C)NC(=O)CC23CC4CC(CC(C4)C2)C3)n1 55197109 RYIKPDPPIZEZCU-UYIIGHAYSA-N 329.488 3.611 0 50 EHAA O=C(CSCc1ccccc1Cl)N1CCC2(CCCO2)CC1 71758914 UTQDZMGZKWIDLR-UHFFFAOYSA-N 339.888 3.745 0 50 EHAA O=C(Cc1ccccc1O)N1CCC[C@@H](CCc2ccccc2F)C1 71759047 QUPHFAJFISWMDZ-INIZCTEOSA-N 341.426 3.945 0 50 EHAA c1ccc(OCc2noc(-c3ccc(-c4cccnc4)nc3)n2)cc1 72129454 IYZBONAFXHRRKK-UHFFFAOYSA-N 330.347 3.773 0 50 EHAA COc1ccc2cc([C@@H]3CN(c4cc(C)ncn4)CCO3)ccc2c1 72424211 VZPMJFQGIYUQAM-IBGZPJMESA-N 335.407 3.525 0 50 EHAA CCc1noc(C)c1C(=O)N1CCC(Oc2ccc(C)cc2)CC1 77472393 WRDRSUXYJOPZQI-UHFFFAOYSA-N 328.412 3.537 0 50 EHAA Cc1ccccc1SC1CCN(C(=O)c2snnc2C)CC1 77504734 XMNNCYRLKBJMCB-UHFFFAOYSA-N 333.482 3.552 0 50 EHAA c1ccc(-c2ccc(CN3CCCC3)cc2)c(CN2CCOCC2)c1 96141982 XOTVKMCIQFOIQK-UHFFFAOYSA-N 336.479 3.782 0 50 EHAA CCCCCOc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100320056 VQVRPWHSVSDCGB-USJZOSNVSA-N 343.423 3.717 0 50 EHAA Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(-n3ccnc3)nc2)cc1 128970351 CRGPZTNFPXCHBH-IBGZPJMESA-N 346.434 3.943 0 50 EHAA Cc1nc(NC(=O)[C@H]2CC[C@H](N)C2)sc1Cc1cccc(Cl)c1 152248530 LOWIJYMVBWKMFZ-JSGCOSHPSA-N 349.887 3.762 0 50 EHAA C[C@H]1CN(C(=O)Nc2cccnc2-c2ccccc2)CC(C)(C)O1 156939927 JWMWHBNTPBOWMO-AWEZNQCLSA-N 325.412 3.780 0 50 EHAA Cc1cc(C(=O)N[C@](C)(C(=O)O)C2CC2)sc1-c1ccc(F)cc1 170592082 ZUQOTXORLJLHHF-SFHVURJKSA-N 347.411 3.846 0 50 EHAA FC(F)(F)CNc1nnc(SCc2cccc(Cl)n2)s1 174594342 LAZVALOKUFRBFV-UHFFFAOYSA-N 340.783 3.853 0 50 EHAA C[C@H](NC(=O)NCc1ccco1)c1noc(-c2ccc(Cl)cc2)n1 177437465 LAUQDZZKCNIXLG-JTQLQIEISA-N 346.774 3.543 0 50 EHAA O=C(c1cccc(-n2cccc2)c1)N1CCCCC[C@H]1c1ncon1 184146843 WHIUIOOWEKEJPX-KRWDZBQOSA-N 336.395 3.618 0 50 EHAA CCSCc1cc(C(=O)N(c2ccccn2)C2CCCC2)no1 186496371 GQAQLJMORTXXSW-UHFFFAOYSA-N 331.441 3.912 0 50 EHAA O=C(c1ccccc1Cl)N1CCC(Nc2cccc(CO)c2)CC1 190998581 IGJOKGWTEUQXSI-UHFFFAOYSA-N 344.842 3.549 0 50 EHAA COc1cc(CNc2cccc(N3CCOC3=O)c2C)ccc1C 194168831 FYDCCGIVNSLFLT-UHFFFAOYSA-N 326.396 3.881 0 50 EHAA CC[C@H](c1ccccn1)N(C)C(=O)c1c(C)nc2ccc(Cl)cn12 215351963 PNDCTYNGFIZHRQ-OAHLLOKOSA-N 342.830 3.914 0 50 EHAA Cc1cccnc1[C@H]1CCC[C@H](Nc2ccc(CNC(N)=O)cc2)C1 239667138 BPBBGKWHCAOIHX-WMZOPIPTSA-N 338.455 3.697 0 50 EHAA O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC[C@@H](C(F)(F)F)C1 246665169 AMLWCQSWNUXGLV-IRUJWGPZSA-N 333.300 3.869 0 50 EHAA C[C@@H]1Sc2ccccc2N(C(=O)c2ccnn2CC(F)F)[C@H]1C 253424189 BONSQNNGGKXPQC-QWRGUYRKSA-N 337.395 3.678 0 50 EHAA Cc1ccc(N2CCOCC2)cc1NC(=O)N1CC[C@H](C)C[C@H](C)C1 253433266 UYIQINGUCDCEIT-HOTGVXAUSA-N 345.487 3.732 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C 257357630 PCTFUNUQNHEEEB-WFSVPPHFSA-N 330.468 3.982 0 50 EHAA COc1ccc(Cl)c2c1N(C(=O)CCc1c(C)noc1C)CCC2 263953785 OTLSBGZTTBYBHT-UHFFFAOYSA-N 348.830 3.865 0 50 EHAA CC(C)[C@H](c1ccccc1)c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 278087183 OIXXQJGRSOWKKB-RCCFBDPRSA-N 341.455 3.783 0 50 EHAA COc1ccccc1C[C@H](C)Nc1ccc2c(c1)N(C(N)=O)CCC2 278740536 RTRGRYYILNZRIC-AWEZNQCLSA-N 339.439 3.570 0 50 EHAA CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1cccc(CN)c1 299760543 WEVSTUXUEVJGTA-GOSISDBHSA-N 326.444 3.936 0 50 EHAA Cc1cc(-c2nc(CCc3ccc(OC(F)F)cc3)no2)ccn1 346555937 DOCBZCCFMJTGCI-UHFFFAOYSA-N 331.322 3.827 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1F 371895833 IWITVAMAOYPJPS-CYBMUJFWSA-N 330.407 3.507 0 50 EHAA C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1nccs1 411138237 DHUDDAHOJYFGPY-SECBINFHSA-N 330.331 3.859 0 50 EHAA CC(C)OCCCNC(=O)c1cccc(-c2cccc([C@H](C)O)c2)c1 426359064 NHBWVBKSPKEVLF-INIZCTEOSA-N 341.451 3.952 0 50 EHAA CC(C)(C)c1ccc2oc(CNC(=O)C[C@@H]3CCCOC3)nc2c1 426571621 NZCCAAZHQOPZGD-ZDUSSCGKSA-N 330.428 3.558 0 50 EHAA O=C(NCCc1ccc(F)c(F)c1F)c1cc(Cl)nc(Cl)c1 784202625 BQMMICCFGMUQFD-UHFFFAOYSA-N 349.139 3.778 0 50 EHAA CC(C)Oc1ccc(C(=O)N(c2nc3ccccc3o2)C2CC2)cn1 905871499 BHSCBIIYPPTVSM-UHFFFAOYSA-N 337.379 3.819 0 50 EHAA CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc3ncccc3o1)CCC2 934844783 COCVVEKDIZREPR-CYBMUJFWSA-N 341.436 3.996 0 50 EHAA Cc1ccc(CN(CCCO)C(=O)c2cc(Cl)ccc2C)cc1 952975852 PFYGTPWTIKHRPT-UHFFFAOYSA-N 331.843 3.982 0 50 EHAA CCCC[C@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@@H](C2CC2)O1 1616083546 OCEKIEDUQMRPGG-SJCJKPOMSA-N 341.373 3.914 0 50 EHAA CC(C)(C)Oc1ccc(C(=O)OCC2([C@@H]3CCCO3)CCC2)nc1 1875278148 DEWHUERQVQCELD-INIZCTEOSA-N 333.428 3.765 0 50 EHAA O=C(O)C1CCC2(CC1)CCN(Cc1scnc1C1CC1)CC2 1875290883 GXEOOMUXQQNSDH-UHFFFAOYSA-N 334.485 3.878 0 50 EHAA Cc1nc2c(s1)N(C(=O)Cc1nsc3ccccc13)CCCC2 1875296972 XAWCSGZOHNMTIT-UHFFFAOYSA-N 343.477 3.973 0 50 EHAA C[C@H]1[C@H](NC(=O)c2cccnc2)CCCN1Cc1ccccc1Cl 1875302970 PPESTHQSDUKDBG-KBXCAEBGSA-N 343.858 3.518 0 50 EHAA CC(C)C(=O)Nc1ccc(OC(=O)C2(c3cccnc3)CCC2)cc1 2325789977 AFBXFYFINUWPDV-UHFFFAOYSA-N 338.407 3.703 0 50 EHAA CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2OC)cc1 44808 AQVHZNFMKIMZIK-KPKJPENVSA-N 327.380 3.754 0 50 EHAA COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3F)C2)cc1OC 286298 BNQHGYYLLATOTL-KRWDZBQOSA-N 342.370 3.541 0 50 EHAA CC[C@H](C)Nc1nnnc2c1sc1nc3c(cc12)COC(C)(C)C3 331079 PWNZXZATVJIHHA-VIFPVBQESA-N 343.456 3.696 0 50 EHAA O[C@]1(c2ccc(Cl)cc2)C[N+]2=C(CCCCC2)N1c1ccccc1 407420 TURNCXIWHSWEIA-FQEVSTJZSA-N 341.862 3.990 0 50 EHAA Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1 609911 CAURASVQRNGDTO-GOSISDBHSA-N 348.402 3.568 0 50 EHAA O[C@H](CNCCc1ccccc1)Cn1c2ccccc2c2ccccc21 2057087 ULYPFEFNGKFKSF-LJQANCHMSA-N 344.458 3.988 0 50 EHAA COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C)cc1 4838518 RVSUCOVEMQFCBC-SFHVURJKSA-N 349.386 3.593 0 50 EHAA Cc1ccc(NC(=O)COCc2cc(-c3ccco3)on2)c(C)c1 6876695 HZVNNDNYDSKWLH-UHFFFAOYSA-N 326.352 3.707 0 50 EHAA COc1cc(C(=O)Nc2cccc(OC(C)C)c2)cc(OC)c1OC 12138128 MMLNXOLUASCJQA-UHFFFAOYSA-N 345.395 3.752 0 50 EHAA Cc1cc(-c2cnnc(N3CC[C@@H](c4ccc(F)cc4)C3)n2)c(C)o1 12459006 CLSNBPZIMDBCNZ-OAHLLOKOSA-N 338.386 3.881 0 50 EHAA Cc1c([C@@H](C)NCc2cccc(O)c2)cnn1-c1cccc(F)c1 12470231 PFWKOOKVRFLVNF-CYBMUJFWSA-N 325.387 3.876 0 50 EHAA O=C([C@H]1C[C@@H]2C=C[C@H]1C2)N1CCc2onc(-c3cccc(F)c3)c2C1 12592176 HCFXKRWWOWPNPE-WWGRRREGSA-N 338.382 3.578 0 50 EHAA CC[C@H](C)c1ccc(S(=O)(=O)N(C)Cc2cnn(CC)c2C)cc1 14226783 CTKCCQMKORZHHS-AWEZNQCLSA-N 349.500 3.546 0 50 EHAA CCc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)cc1 17071408 GFTLHXWZZJLGNI-UHFFFAOYSA-N 341.430 3.738 0 50 EHAA CCn1ccnc1Cn1ccc(-c2cccc(-c3cccnc3)c2)n1 20203245 CKTDUQLUGPZQFQ-UHFFFAOYSA-N 329.407 3.877 0 50 EHAA O=C1C[C@H](c2cccc(F)c2F)c2ncn(-c3cccc(F)c3)c2N1 40287916 WOFMAJBBHXXTDN-CYBMUJFWSA-N 343.308 3.764 0 50 EHAA Cc1cc(C)c(CNCc2cn[nH]c2-c2cccs2)c(C)c1CO 55090862 BVTIWPPWPRMUCJ-UHFFFAOYSA-N 341.480 3.846 0 50 EHAA CC[C@@H](O)CN1CCOc2c(cc(-c3ccc(C)s3)cc2OC)C1 67696229 UXCRMKHNMFAZGK-MRXNPFEDSA-N 347.480 3.697 0 50 EHAA CC(=O)NCC[C@@H]1CCCCN1Cc1cc(C(F)(F)F)ccc1F 72169888 PCPYMIHPQZLKSH-HNNXBMFYSA-N 346.368 3.725 0 50 EHAA CCc1noc(C)c1C(=O)N1CCC[C@H](COc2ccc(C)cc2)C1 77423867 FFMLJUJQYQADHQ-INIZCTEOSA-N 342.439 3.785 0 50 EHAA COc1cccc(OC[C@H]2CCCN(C(=O)c3ccsc3)C2)c1 77471329 LOXWFKBYXASKRZ-AWEZNQCLSA-N 331.437 3.688 0 50 EHAA CCCN1C[C@H]2CC[C@@H]1CN(C(=O)CC(C)(C)c1ccccc1)C2 91575472 YWASVWZJVJDPAJ-IEBWSBKVSA-N 328.500 3.687 0 50 EHAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(Cc1ccc3nsnc3c1)C2 91587042 RYZGVMZMSYWKAB-DLBZAZTESA-N 342.512 3.554 0 50 EHAA Cc1ccc(-c2cn(CCOc3ccccc3)nn2)c2cccnc12 91593146 JOZMGBSFBHGICL-UHFFFAOYSA-N 330.391 3.881 0 50 EHAA O=C1C[C@H](c2ccccc2)CN1Cc1cc2c(cc1Cl)OCO2 95510243 SKGDOVOARNIIOV-ZDUSSCGKSA-N 329.783 3.585 0 50 EHAA O=C(Nc1ccc2c(c1)OCO2)N1CCCC[C@H]1c1nccs1 95526536 QDTPKCULOOVDDY-LBPRGKRZSA-N 331.397 3.631 0 50 EHAA Cc1[nH]nc(CCC(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)c1C 97819526 BGWWWSSEYZHDBY-KRWDZBQOSA-N 343.446 3.580 0 50 EHAA Cn1ccnc1-c1csc(NC(=O)CC(C)(C)c2ccccc2)n1 119065885 NRNDQZBCSAZLTI-UHFFFAOYSA-N 340.452 3.850 0 50 EHAA CC(C)(CCC(=O)NC[C@H]1CC=CCC1)C(=O)NC[C@H]1CC=CCC1 170653207 SOSPZTASMHMZIS-ROUUACIJSA-N 346.515 3.738 0 50 EHAA CCOCc1cccc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)c1 189421353 JASQUBUJZBVFFD-WBVHZDCISA-N 334.460 3.796 0 50 EHAA O=C(Cc1ccc(Cl)s1)N1CC[C@@]2(C1)OCc1ccccc12 193883267 FLYIPNRYXMUREV-KRWDZBQOSA-N 333.840 3.602 0 50 EHAA CCc1nc(CNc2ccc(C(=O)N3CCC(C)CC3)cn2)cs1 195575255 AMJOYQZZMBKZKJ-UHFFFAOYSA-N 344.484 3.585 0 50 EHAA C[C@@H](c1ccncc1)N(C)Cc1ccc(OCCn2ccnc2)cc1 215840129 WCQXLJHLHMEEPA-KRWDZBQOSA-N 336.439 3.550 0 50 EHAA Cc1ccoc1C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225406849 DZADWISTJFPHGM-BXUZGUMPSA-N 339.313 3.555 0 50 EHAA CN(C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1)C1CCCC1 241173034 KFMJELNZDGJRQD-NSHDSACASA-N 344.381 3.602 0 50 EHAA O=C(CCC1CCCC1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 244735077 NSSVHNYGFZKJKO-LVCYWYKZSA-N 343.467 3.520 0 50 EHAA Cc1cc(C)c(NC(=O)CCN(C)C[C@H]2CCCCO2)c(Cl)c1 244899452 ZKDRHTWFVUOLRY-OAHLLOKOSA-N 338.879 3.786 0 50 EHAA CC1(C)CCC[C@H]1NC(=O)N1CC2(CCOCC2)c2ccccc21 252510117 ZBUWUURJECFEEI-QGZVFWFLSA-N 328.456 3.843 0 50 EHAA COCc1cc(N2c3ccccc3[C@]3(C)CCCC[C@H]23)n2ncnc2n1 253418673 VJHCWBFOYHYXCI-PXNSSMCTSA-N 349.438 3.623 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(F)cc2cccnc12 299741014 CVADWYORZGCPAP-VUCTXSBTSA-N 328.387 3.592 0 50 EHAA Cc1ccc(-c2nc(CCNC(=O)c3ccc(F)c(F)c3)co2)cc1 360588687 RWQGNJHPKMQQOH-UHFFFAOYSA-N 342.345 3.901 0 50 EHAA CCOc1ccc2c(c1)C[C@@H](C(=O)Nc1ncsc1C(C)C)CO2 377520905 UZUAEMLYFDUXDL-CYBMUJFWSA-N 346.452 3.855 0 50 EHAA Cc1csc(C2CCN(c3nc4ccccc4cc3CO)CC2)n1 377992788 RHDNMLQNAPWUCF-UHFFFAOYSA-N 339.464 3.876 0 50 EHAA CC(C)(CCNC(=N)N[C@H]1CCOc2ccccc21)c1ccccc1 849091296 SYWUXTQJQNUNFI-SFHVURJKSA-N 337.467 3.992 0 50 EHAA CCCOc1ccc(NC(=O)N2CC[C@@](C)(C(=O)O)C2)cc1C(C)C 887394367 OSBPYNAUEVAGJF-LJQANCHMSA-N 348.443 3.927 0 50 EHAA O=C(Nc1ccc(-c2ccon2)cc1)N1CCC[C@@H]1C1CCOCC1 933722982 BVDKINFHAFEUCB-GOSISDBHSA-N 341.411 3.765 0 50 EHAA O=C(c1ccc(F)c2occc12)N1CCCCC[C@@H]1c1ncon1 935346499 OJHLJAMTZKLKLD-CQSZACIVSA-N 329.331 3.712 0 50 EHAA CC[C@H]1C=CCN1C(=O)C1(c2ccc(OC)c(OC)c2)CCCC1 952971814 QQVVGGMKNRBRQD-INIZCTEOSA-N 329.440 3.693 0 50 EHAA O=C(O)[C@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)cs2)C1 1857530238 IYFAVRWXJBOWOH-LBPRGKRZSA-N 336.844 3.760 0 50 EHAA Cc1cc(-n2cccn2)ccc1-c1nccn1C[C@H]1CCC[C@@H](N)C1 1857708664 FZQIANNVLDDPLF-DLBZAZTESA-N 335.455 3.562 0 50 EHAA COC[C@H](CC(C)(C)C)NC(=O)c1ccc2c(n1)CCC(C)(C)C2 1875357306 AZPKEASGJOZWJA-HNNXBMFYSA-N 332.488 3.778 0 50 EHAA Cc1cccc(C(=O)Nc2ccc(OC[C@@H]3C[N@@]3CC3CC3)cc2)c1 1875382259 WIZWONQTADYART-WMZHIEFXSA-N 336.435 3.720 0 50 EHAA Cc1cnc(Cl)cc1NC(=O)N=c1ccn(C2CCCCC2)[nH]1 2325781897 AGEVJYZQAISPCD-UHFFFAOYSA-N 333.823 3.811 0 50 EHAA CCN(CCCN(C)C1=NC[C@H](c2ccccc2)N1)c1ccccc1 2325864329 MHLSKZMCMNNSDR-HXUWFJFHSA-N 336.483 3.535 0 50 EHAA CCOc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 63574 GSLNYWSRRWQGRX-UHFFFAOYSA-N 334.828 3.866 0 50 EHAA COc1cc(C)c(S(=O)(=O)NC2CCCCC2)cc1C(C)C 381974 XKUVZUPBEWIMQI-UHFFFAOYSA-N 325.474 3.738 0 50 EHAA Cc1cc(OCC(=O)C(C)(C)C)c2c3c(c(=O)oc2c1)CCCC3 409129 KLNMSMWQWWCHIM-UHFFFAOYSA-N 328.408 3.974 0 50 EHAA COc1cc(OC)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1OC 496509 QQNXREFUFIEUJD-UHFFFAOYSA-N 339.750 3.757 0 50 EHAA C[C@H]1CN(C(=O)Nc2ccc(Br)cc2Cl)C[C@H](C)O1 610341 MEGBMMBSVBVXHN-IUCAKERBSA-N 347.640 3.744 0 50 EHAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc(C(F)(F)F)cc1 2585859 WJMVMQYNFZQHGW-LLVKDONJSA-N 333.306 3.746 0 50 EHAA COc1ccc(-c2noc([C@H](C)Oc3ccccc3)n2)cc1OC 4385442 NUXMMMFMOGEBKE-LBPRGKRZSA-N 326.352 3.894 0 50 EHAA Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ccccc2)CC1 4739718 KGVLSJROYIYIBT-UHFFFAOYSA-N 342.870 3.930 0 50 EHAA Cc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 6729725 FRSDOLBIMCIGRX-UHFFFAOYSA-N 336.435 3.802 0 50 EHAA Cc1oc2cc(OCC(=O)O)ccc2c(=O)c1-c1ccc(Cl)cc1 11766712 TYUUEVWTPHMLCK-UHFFFAOYSA-N 344.750 3.885 0 50 EHAA biogenic CCCN(CC1CC1)C(=O)CCc1nnc(Cc2cccc(C)c2)o1 12058009 JJUBCEBOWUOUBI-UHFFFAOYSA-N 341.455 3.550 0 50 EHAA OC[C@@]1(CCc2ccccc2)CCCN(Cc2nc3ccccc3[nH]2)C1 12430706 QJDUUXGWTNTAGY-JOCHJYFZSA-N 349.478 3.770 0 50 EHAA S=C(Nc1ccc(Cl)cc1Cl)N1CCC2(CC1)OCCO2 13784705 WPUUZPVDWFYKLR-UHFFFAOYSA-N 347.267 3.529 0 50 EHAA COCC1CCN(Cc2nc(-c3ccc(F)cc3F)oc2C)CC1 14950381 KSFJQWMGGQGTQS-UHFFFAOYSA-N 336.382 3.787 0 50 EHAA O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccccc2)CC1 16625014 JRBIXTSGQYGOHR-UHFFFAOYSA-N 334.341 3.668 0 50 EHAA O=C(O)c1ccc2nc(-c3c[nH]nc3-c3ccc(Cl)cc3)[nH]c2c1 55120564 YEKSGBXMZWDHBX-UHFFFAOYSA-N 338.754 3.972 0 50 EHAA Cc1oc(-c2ccccc2Cl)cc1C(=O)NCCc1c[nH]cn1 55393237 AHCMUPISFHAMEN-UHFFFAOYSA-N 329.787 3.604 0 50 EHAA Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCc2cccnc2)n1 67649503 RVOMYODIBXZLNB-UHFFFAOYSA-N 329.407 3.886 0 50 EHAA COc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccco3)n[nH]2)cc1 67742636 UIGDLCDSKCMATA-GFCCVEGCSA-N 325.368 3.512 0 50 EHAA O=C(c1ccccc1F)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67868908 PZLFMQXXRCFLLF-GHTZIAJQSA-N 349.405 3.970 0 50 EHAA O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1F 72119364 GFWVYLHLZISBBE-UHFFFAOYSA-N 329.762 3.595 0 50 EHAA O=C1C[C@@H](NCc2ccc(-c3ccccn3)cc2)CN1c1ccccc1 72158063 PEMAHMMBQUNPPO-LJQANCHMSA-N 343.430 3.644 0 50 EHAA CCn1nc(C)c(CN2CCN(c3ccc4ccccc4c3)CC2)c1C 72169167 RGVABJHPBAGCDR-UHFFFAOYSA-N 348.494 3.995 0 50 EHAA CCCOc1ccc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl 77556261 OFOMQQHTSUWEDF-CQSZACIVSA-N 347.846 3.872 0 50 EHAA Cc1cccc(C)c1OC1CN(C(=O)c2ccc3ccccc3n2)C1 82091530 KYGUMHMPYHSUGT-UHFFFAOYSA-N 332.403 3.755 0 50 EHAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@H]1CCc2ccccc2C1 82120179 SLRVBEDGTLKHTO-SFHVURJKSA-N 347.418 3.500 0 50 EHAA Cc1cccnc1[C@H](C)n1cc(-c2ccccc2Cn2cccn2)nn1 91459909 CKANTOUDFMJHIZ-INIZCTEOSA-N 344.422 3.503 0 50 EHAA CC(C)Cc1cc(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)n(C)n1 91518577 VNOZQTWPSICAGB-UHFFFAOYSA-N 344.846 3.683 0 50 EHAA C[C@@H](SCC(=O)C(C)(C)C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 170597181 CQORNOWIWBKNPU-GFCCVEGCSA-N 345.468 3.752 0 50 EHAA O=C(N[C@H]1CCCOC1)c1cc(-c2cccs2)nc2ccccc12 171702003 OGIKFRLPHICEIK-ZDUSSCGKSA-N 338.432 3.872 0 50 EHAA Cc1ccccc1CS(=O)(=O)N1CCCC[C@@H]1c1nccs1 175383247 IQRJCPDSGFVTMM-OAHLLOKOSA-N 336.482 3.509 0 50 EHAA CCC(CC)n1ncc(C(=O)N[C@H]2CCOc3ccc(F)cc32)c1C 179319296 QTCJPDZZCKEOJS-KRWDZBQOSA-N 345.418 3.945 0 50 EHAA CC(C)c1c(NCc2nccn2C)cnn1-c1ccccc1Cl 191730131 GEFCZYHJCWPNTD-UHFFFAOYSA-N 329.835 3.995 0 50 EHAA O=C(C[C@H]1CCCOC1)N1CCc2c(Cl)cc(Cl)cc2C1 193583340 ZRZWSVLLDLHPFU-LLVKDONJSA-N 328.239 3.695 0 50 EHAA CC(C)[C@H](NC(=O)C[S@](=O)c1cccs1)c1ccc(F)cc1 194615842 RWZQIIUCWGJBJK-AOMKIAJQSA-N 339.457 3.508 0 50 EHAA Cc1ccccc1N(C(=O)c1cnnn1C)c1nc2ccccc2s1 225566941 FCLQLEVHBDODPK-UHFFFAOYSA-N 349.419 3.712 0 50 EHAA CSCC1CCN(C(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 243932307 BUQOMAFWVHEZAH-LJQANCHMSA-N 346.540 3.643 0 50 EHAA CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(C)s2)C1 247831526 LNEWLEVAAXETEU-OAGGEKHMSA-N 343.496 3.783 0 50 EHAA CC[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H]1C[C@H](O)C1 252536671 JDBMIMARVQFGHL-ZDSQKVDBSA-N 335.753 3.638 0 50 EHAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]12C 253591379 QKRYLDYYAWAORZ-GFPUQRKTSA-N 346.467 3.566 0 50 EHAA CC(C)n1ccc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)n1 265048295 PKAZTSJWAHEXPX-UHFFFAOYSA-N 333.382 3.762 0 50 EHAA CSc1ccc(CS[C@@H](C)c2nc(-c3nnc[nH]3)no2)cc1 279882699 HMUUSQREIDZPBJ-VIFPVBQESA-N 333.442 3.571 0 50 EHAA c1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3CC34CCOCC4)o2)cc1 299748515 HIGWNXDSOQQSIE-HRCADAONSA-N 326.396 3.599 0 50 EHAA Cc1ccc(NC(=O)N2CC[C@](O)(c3ccccc3C)C2)cc1F 299774409 GXVWAFYVLNCFEB-LJQANCHMSA-N 328.387 3.568 0 50 EHAA COc1ccc(NC(=O)c2ccc([C@H]3C[C@H]3C)o2)cc1OCC(=N)O 328586607 KGYLHRHILVYXFP-PWSUYJOCSA-N 344.367 3.578 0 50 EHAA c1nn(Cc2nnc3n2CCCC3)cc1NCCC1CCCCCC1 329684226 UCNSQSWXELEKEB-UHFFFAOYSA-N 342.491 3.632 0 50 EHAA CN(C)CCN(C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)C1CC1 356285824 WCHFDEPQIVTXFA-UHFFFAOYSA-N 340.254 3.641 0 50 EHAA CC(C)(C)C(C)(C)NC(=O)CCCc1nc(O)c2ccccc2n1 356813944 VZKWPVXCELWXQR-UHFFFAOYSA-N 329.444 3.599 0 50 EHAA CC(C)c1ccoc1C(=O)N1CCC[C@@](CO)(c2ccccc2)C1 375304061 UJPUPAOTJIGPIF-HXUWFJFHSA-N 327.424 3.569 0 50 EHAA O=C(CSCc1cscn1)NC1(C(F)(F)F)CCCCC1 408513620 GGBHIEYTIBRKQG-UHFFFAOYSA-N 338.420 3.758 0 50 EHAA O=C(c1cc2ccccc2oc1=O)N1CCCc2ccc(F)c(F)c21 408513754 JSMJPJHHYWAKER-UHFFFAOYSA-N 341.313 3.664 0 50 EHAA O=c1c2cccc(Cl)c2ncn1Cc1noc(C2CCCCC2)n1 683739059 NCYYNASZRMVLHD-UHFFFAOYSA-N 344.802 3.529 0 50 EHAA COc1ccc2oc(C)c(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)O)c2c1 762219605 AZSBDGPCGQBEEL-IFXJQAMLSA-N 345.395 3.513 0 50 EHAA CCOC1CC(Cc2nc(-c3cccc(NC(=O)C(C)C)c3)no2)C1 809282163 QPVPVWIENWXJFY-UHFFFAOYSA-N 343.427 3.689 0 50 EHAA Cc1ccc(C)c(N(C(=O)c2coc3c2C(=O)NCCC3)C(C)C)c1 903052508 BDCKAQSNDPUCOT-UHFFFAOYSA-N 340.423 3.628 0 50 EHAA FC(F)(F)c1cnc([C@H]2CCCN(C[C@]34CCC[C@H]3OCC4)C2)[nH]1 952992854 DWBYBMIRYDMRRV-JGGQBBKZSA-N 343.393 3.567 0 50 EHAA COc1cccc(CNC(=O)NC[C@H]2CCCc3ccccc32)c1C 1311445797 BRSAJIHUFALJKQ-GOSISDBHSA-N 338.451 3.923 0 50 EHAA CCc1nnc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)s1 1343058515 TXZOUZDQNUFBPW-ZDUSSCGKSA-N 344.484 3.727 0 50 EHAA Fc1ccc(F)c(CN2C[C@H]3CNC[C@@]3(CCc3ccccc3)C2)c1 1772711957 YYSAUXRNMVBKDH-NQIIRXRSSA-N 342.433 3.619 0 50 EHAA CC1(C(=O)N[C@H]2CCCN(Cc3ccccn3)CC2)CCCCC1 1875302761 GKCOUVDPSZCZNJ-KRWDZBQOSA-N 329.488 3.523 0 50 EHAA Cc1ccc(NC(=O)OC(C)(C)C)c(OC[C@H]2C[N@@]2CC2CC2)c1 1875383729 AGOYGIRQUFUSJR-QVKFZJNVSA-N 332.444 3.815 0 50 EHAA O=C(/C=C/c1ccc(-c2ccccc2F)o1)OCCCc1cn[nH]c1 2325717484 COJKGNLKASOXPG-CSKARUKUSA-N 340.354 3.998 0 50 EHAA Cc1cncc(N2CCC(Oc3cccc4c3OC(C)(C)C4)CC2)n1 2325736613 DJKDDBNBQRHNCS-UHFFFAOYSA-N 339.439 3.546 0 50 EHAA Oc1cccc(OCc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)c1 2325863600 PPGVQDNFJKAOGT-UHFFFAOYSA-N 349.312 3.630 0 50 EHAA COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc(C)c1C 35190 FJDRBBVFSFPIKS-ZIAGYGMSSA-N 329.421 3.894 0 50 EHAA CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CC(C)(C)OC2 107594 WLLAOPIUWYTQDY-UHFFFAOYSA-N 349.408 3.621 0 50 EHAA Cc1cc(=O)oc2cc(OC[C@H]3CC(c4ccccc4)=NO3)ccc12 158705 VMRUSQJJHDHSOO-MRXNPFEDSA-N 335.359 3.673 0 50 EHAA biogenic CC1=CC[C@H](C(=O)O)[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 315613 STPKQKKLSGRYFG-WDEREUQCSA-N 328.195 3.989 0 50 EHAA CCOc1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 375411 FLUBXBDXTFTJJP-UHFFFAOYSA-N 344.842 3.701 0 50 EHAA NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 527690 CWLSRFABQIHKBC-UHFFFAOYSA-N 327.181 3.763 0 50 EHAA Cc1ccccc1CSc1nnc(-c2cccc(Cl)c2)n1N 531784 PFRDISMPHJUYQV-UHFFFAOYSA-N 330.844 3.913 0 50 EHAA O=c1oc(COc2ccccc2)nc2cc(Br)ccc12 550426 HSNAIBMTBNOHFZ-UHFFFAOYSA-N 332.153 3.530 0 50 EHAA COC(=O)c1ccccc1OC(=O)c1ccc(C)c(Br)c1 2882287 WNXDLTLRIUZQNF-UHFFFAOYSA-N 349.180 3.763 0 50 EHAA O=C(NC(=S)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 4013643 PLCPSTIBZHIIID-UHFFFAOYSA-N 346.280 3.509 0 50 EHAA O=C(Nc1ccc(Br)cc1)c1ccc(-n2cccn2)cc1 4851204 MWDMFTCGXKCGJG-UHFFFAOYSA-N 342.196 3.887 0 50 EHAA CCn1cc(C(=O)Cn2c(C)nc3ccccc3c2=O)c2ccccc21 10009639 GBJFBEGDCGYPSJ-UHFFFAOYSA-N 345.402 3.562 0 50 EHAA COc1cccc(CN2CCC[C@@]3(CCN(CC(C)(C)C)C3)C2=O)c1 11879582 MIAWKOBTKOWPFI-NRFANRHFSA-N 344.499 3.556 0 50 EHAA CC(C)(C)NC(=O)NCc1cccnc1Oc1ccc(F)cc1F 12308531 NIXHKNQJNXMZMW-UHFFFAOYSA-N 335.354 3.750 0 50 EHAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1ncoc1C 12308757 GHOSNCJTBUGSTP-UHFFFAOYSA-N 337.379 3.717 0 50 EHAA CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 12383120 HOBRMDPJYAMANN-CQSZACIVSA-N 341.407 3.987 0 50 EHAA CN(Cc1ccco1)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)CC1 14973452 YOWLXTKMFTUEGI-KRWDZBQOSA-N 346.858 3.946 0 50 EHAA CCCCOC(=O)c1cc(=O)[nH]c2c(Br)cc(C)cc12 15856295 VCTXHXVRYFGONG-UHFFFAOYSA-N 338.201 3.556 0 50 EHAA O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cn2ccnc2)cc1 36709751 AXUGPDWVNFLDEQ-HXUWFJFHSA-N 331.419 3.739 0 50 EHAA O=C(O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 45895551 BGXXEKUQVJLQMB-QGZVFWFLSA-N 327.424 3.956 0 50 EHAA O=C(O)c1cccnc1CN1CCCC[C@@H]1CCc1cccs1 65531320 IPPYALSXVRDKOT-CQSZACIVSA-N 330.453 3.829 0 50 EHAA CCCc1n[nH]cc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71749471 GDCQRFFRCUMGDZ-MRXNPFEDSA-N 343.446 3.986 0 50 EHAA O=C(c1cc2c(ccc3ccccc32)[nH]1)N1CCC2(CCNCC2)CC1 71776556 KNBGUYQNCNCJHF-UHFFFAOYSA-N 347.462 3.927 0 50 EHAA Fc1cccc(C2(Cn3ccnc3-c3ccncc3)CCOCC2)c1 77406068 PPHTZHHVMZHYGT-UHFFFAOYSA-N 337.398 3.833 0 50 EHAA Cc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3cccnc3)CC2)c1 77505363 OSKDIIRMCGRQCY-UHFFFAOYSA-N 346.434 3.800 0 50 EHAA O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@H]1c1ccco1 77541493 OFVGNMDJHRZTSG-HNNXBMFYSA-N 337.379 3.626 0 50 EHAA Cc1nc(N(C)Cc2cc(-c3cccnc3)no2)c2ccsc2n1 77564653 POOVRWAVULRJDR-UHFFFAOYSA-N 337.408 3.686 0 50 EHAA Cc1cc(C(=O)NCc2sc(C)nc2C)c2ccc(F)cc2n1 82121930 NXXMQWMGLLCAGO-UHFFFAOYSA-N 329.400 3.686 0 50 EHAA O=C(N[C@H]1CCc2ccccc2C1)c1c[nH]nc1-c1cccc(F)c1 91486135 NYYCIDMXROWXKH-KRWDZBQOSA-N 335.382 3.503 0 50 EHAA O=C1CSc2ccccc2N1Cc1nnc(-c2cccc(F)c2)o1 95364428 GTTNPORIAWYMFG-UHFFFAOYSA-N 341.367 3.515 0 50 EHAA CCN(CCN(C)C)C(=O)Nc1cc(-c2ccccc2)ccc1OC 95526991 CSNWNKJAYOFBHC-UHFFFAOYSA-N 341.455 3.778 0 50 EHAA CC1=NN(c2nc(C)cc(C)n2)C(=O)[C@H]1Cc1cccc2ccccc12 100127633 RWEOPSULUDRVEY-IBGZPJMESA-N 344.418 3.828 0 50 EHAA COCc1ccc(C(=O)Nc2ccccc2Sc2nccn2C)o1 119788819 DTOFSZHVRFHXFU-UHFFFAOYSA-N 343.408 3.563 0 50 EHAA O=C(N[C@@H]1CCCC[C@H]1O)c1cn(Cc2ccccc2)c2ccccc12 130387355 UAUZHOGJCOVNFA-TZIWHRDSSA-N 348.446 3.723 0 50 EHAA O=C(Nc1ccc(Cl)cn1)N[C@H]1CCO[C@@H](c2ccccc2)C1 157926231 CFJMOJAVBYYZLJ-LSDHHAIUSA-N 331.803 3.777 0 50 EHAA O=c1[nH]c(/C(Cl)=C/c2cccc(-n3cccn3)c2)nc2ccccc12 221876031 WJSSHFKPFIGNNO-VBKFSLOCSA-N 348.793 3.846 0 50 EHAA Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](n3ccnc3C)C2)s1 229432785 BOOSFBOXDRPPFZ-BZUAXINKSA-N 329.469 3.529 0 50 EHAA CCCC[C@H](N)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 236856474 IUYLFMHILNWTTC-INIZCTEOSA-N 347.846 3.770 0 50 EHAA CNC[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)C1 237252691 LRRSQJOMDPRLNG-AWEZNQCLSA-N 346.471 3.934 0 50 EHAA CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 239274757 AQQROLPNBMFHBE-ONIAQPFYSA-N 336.520 3.648 0 50 EHAA C[C@H](C(=O)Nc1ccccc1)N1CCOc2ccc(Cl)cc2C1 244734338 NDRGILNYGZNKNQ-CYBMUJFWSA-N 330.815 3.562 0 50 EHAA CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)C1 253606376 JZOOUGCSRVHNGU-FGTMMUONSA-N 341.430 3.552 0 50 EHAA Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc2oc(C(=O)O)cc2c1 262753714 OMCLGGXIUVKNQM-SECBINFHSA-N 342.351 3.868 0 50 EHAA O=C(Nc1ccccc1)c1cc2n(n1)C[C@@H](c1ccc(F)cc1)OC2 263616042 GQPMAYXPHVURMX-SFHVURJKSA-N 337.354 3.546 0 50 EHAA Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c(C)o1 287978409 REVQYKYGRDNFAU-CEXWTWQISA-N 325.408 3.541 0 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CCOC(=O)COc1ccccc1/C=C/c1cc(=O)c2ccccc2[nH]1 15016850 GRKFYOSNPMTLHP-VAWYXSNFSA-N 349.386 3.640 0 50 EHAA CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OC 19872039 SWZPWNPQKJYDCW-MRXNPFEDSA-N 335.831 3.571 0 50 EHAA CCCC[C@H](C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)C(C)C 25573665 QKFOODXDFWWDLS-HQHQJUQOSA-N 347.499 3.672 0 50 EHAA CSc1ccccc1C(=O)N(C)Cc1ccc(-n2cccn2)cc1 72433576 UYEMXFMBUMICJF-UHFFFAOYSA-N 337.448 3.866 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N(C)C[C@H]3CCCCO3)c2c1 77385572 GORXVEGTTJMQNX-MRXNPFEDSA-N 326.440 3.747 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N(C)Cc3cc(C4CC4)on3)c2c1 77537751 ABDDFYCFRQRAIL-UHFFFAOYSA-N 335.407 3.989 0 50 EHAA Cc1cc(C)c(C(=O)NCc2ccc(-c3ccccc3)cc2)c(=O)[nH]1 91915261 KTJYXYUFGPOECM-UHFFFAOYSA-N 332.403 3.589 0 50 EHAA CCCN1CCC(CC(=O)N2CCCC[C@H]2c2ccccn2)CC1 92001818 SEZFNOLEGJZMRL-IBGZPJMESA-N 329.488 3.647 0 50 EHAA CN(Cc1ccc2nsnc2c1)C(=O)C[C@@H]1CCc2ccccc21 92003155 MVFXBNUNHLNCPI-HNNXBMFYSA-N 337.448 3.770 0 50 EHAA Cc1cc(C)c2c(NCCc3csc(C(C)C)n3)ncnc2n1 95357389 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LCRUAWCSFWUBDQ-VBHSOAQHSA-N 327.403 3.905 0 50 EHAA Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(OC(C)C)n1)CCC2 179073698 ZPMSCTAYBVWDIR-OAHLLOKOSA-N 345.468 3.783 0 50 EHAA CNC1CCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1 179135487 OWLZLCYCDCHXPT-UHFFFAOYSA-N 346.377 3.581 0 50 EHAA CC(=O)NC(C)(C)c1noc(-c2cc(Cl)c3ccccc3c2O)n1 184868372 LQLOEVQSUMDVDC-UHFFFAOYSA-N 345.786 3.620 0 50 EHAA CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3CC(C)(C)OC3(C)C)c12 189771806 LRRBGHOKIXNINZ-MRXNPFEDSA-N 344.455 3.571 0 50 EHAA CCNC(=O)N1CCc2ccc(N[C@@H](C)c3cccc(O)c3)cc21 194954601 LRVJECUQYBHILO-ZDUSSCGKSA-N 325.412 3.657 0 50 EHAA CC(=O)N1CC[C@@H](N[C@H](C)c2cccc(O)c2)c2ccc(F)cc2C1 194961047 VEXKQRSQEWGHCT-ZUOKHONESA-N 342.414 3.675 0 50 EHAA CC[C@@H](C)c1nc([C@H](C)NC(=O)CCc2ccc(Cl)s2)n[nH]1 225415524 DGIIYZPOYXASJJ-ZJUUUORDSA-N 340.880 3.843 0 50 EHAA O=C(O)c1ccc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)o1 238011873 QYXFJMPSDSXMFX-HNNXBMFYSA-N 325.364 3.660 0 50 EHAA Cc1cc2[nH]ncc2cc1NS(=O)(=O)c1cc(Cl)ccc1C 252478926 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CC(C)C1CN(C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 684607184 HAJRKDHZHJKRFU-NRFANRHFSA-N 339.479 3.741 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)Cc2cc(C)ccc2-n2cccn2)c1 823649005 PXAZMQFBBMSZBS-SFHVURJKSA-N 334.467 3.947 0 50 EHAA COc1ccc([C@H]2OCC[C@@H]2NCCc2ccc(C(C)C)cc2)cn1 952845816 UUXBNJXHHSDLCL-PZJWPPBQSA-N 340.467 3.876 0 50 EHAA C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc2c(c1)CCCO2 1474387300 YFYQCEICZIFVLV-MRXNPFEDSA-N 348.450 3.785 0 50 EHAA CCN1C[C@H](CN(C)c2ccnc3c(C)cc(Cl)cc23)CC1=O 1704312152 LPQMYIQYPAOACB-ZDUSSCGKSA-N 331.847 3.501 0 50 EHAA CCC(=O)NCc1ccccc1-c1ccc(O)c(OC(F)(F)F)c1 1772806024 XEWSYMHLELSJFL-UHFFFAOYSA-N 339.313 3.984 0 50 EHAA Cc1nccn1-c1ccc(NC(=O)c2c(F)ccc(F)c2F)cc1F 1875262008 KQYMOJGUYCSOTL-UHFFFAOYSA-N 349.287 3.989 0 50 EHAA CO[C@@H](C)c1nc(CN[C@H](C)C2=Cc3ccccc3OC2)cs1 1875285275 ITPHATLEZHJTQE-OLZOCXBDSA-N 330.453 3.805 0 50 EHAA C[C@@H](OC(=O)[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1cncs1 2325755324 NDGONVVIIQIAOR-UTUOFQBUSA-N 325.430 3.505 0 50 EHAA COC[C@H](C)NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 94744 BEROLCBHSQTCMV-QMMMGPOBSA-N 343.210 3.722 0 50 EHAA Cc1cccc(C(=O)N[C@H](CC(=O)O)c2ccc(OC(C)C)cc2)c1 106248 ZLFFJJNPPDYXLE-GOSISDBHSA-N 341.407 3.728 0 50 EHAA Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Br)c1 376570 MXEJRQFMROTOIT-UHFFFAOYSA-N 344.205 3.697 0 50 EHAA O=C(CSc1nc2ccccc2o1)N1N=CC[C@@H]1c1ccccc1 1070056 HFKPVICIWZJTSG-OAHLLOKOSA-N 337.404 3.879 0 50 EHAA COc1ccc2c(CCNC(=O)c3ccc(Cl)cc3)c[nH]c2c1 2204185 PIMJMNXSKATGFJ-UHFFFAOYSA-N 328.799 3.802 0 50 EHAA Cc1cccc(NC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 2762399 CFJOGLMIXCJNDX-UHFFFAOYSA-N 329.425 3.678 0 50 EHAA O=C(NCCOc1ccccc1F)c1cc(F)c(F)cc1Cl 3150693 AQJJFLRBWHQNNX-UHFFFAOYSA-N 329.705 3.566 0 50 EHAA COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)C 4973317 KEPREAPEEUKPOK-UHFFFAOYSA-N 325.368 3.883 0 50 EHAA Cc1cc(NC[C@@H]2CCCO2)n2ncc(-c3ccccc3Cl)c2n1 5324754 RZKUMQWKGDDKOA-ZDUSSCGKSA-N 342.830 3.949 0 50 EHAA CCCNC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 12024427 USQYEHRIFRFFKG-UHFFFAOYSA-N 334.423 3.749 0 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UNCMYLIIUNWYDU-LJQANCHMSA-N 342.464 3.880 0 50 EHAA CCC[C@]1(CO)CCCN(C(=O)c2cc3cccc(C)c3n2C)C1 91306217 VPJOWCXIJONURN-FQEVSTJZSA-N 328.456 3.502 0 50 EHAA COCc1ccc(C(=O)N(Cc2ccncc2)C2CCCCC2)o1 96148394 ZEOSABOEIWFSHC-UHFFFAOYSA-N 328.412 3.796 0 50 EHAA CC[C@@H](NC(=O)c1ccc(C(C)C)n(C)c1=O)c1ccc(F)cc1 97772732 WICJPQHENNVYTM-MRXNPFEDSA-N 330.403 3.529 0 50 EHAA O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCCC[C@@H]1c1ncc[nH]1 127526989 QYSQJALRYYERAG-OLZOCXBDSA-N 344.381 3.767 0 50 EHAA Cc1ccccc1C1CCN(C(=O)[C@@H](C)c2c(C)n[nH]c2C)CC1 131675432 OKTBVLUZNWRSNG-AWEZNQCLSA-N 325.456 3.845 0 50 EHAA Cn1nc(C2CCCC2)cc1NC(=O)c1noc2c1CCCCC2 157583756 XMICBIBWXIQCDO-UHFFFAOYSA-N 328.416 3.587 0 50 EHAA CC(C)(CCC(=O)NC[C@@H]1CC=CCC1)C(=O)NC[C@H]1CC=CCC1 170653208 SOSPZTASMHMZIS-MSOLQXFVSA-N 346.515 3.738 0 50 EHAA CCCNc1nnc(SCc2ccc(Br)cn2)s1 171932651 FXDDYDWYZFCNLK-UHFFFAOYSA-N 345.291 3.810 0 50 EHAA O=C(CCC(=O)c1ccc(F)cc1F)Nc1cccc(Cl)c1O 172356482 HMSSDRFLIQDDRI-UHFFFAOYSA-N 339.725 3.925 0 50 EHAA Cc1n[nH]c(C)c1CC(=O)NC1c2ccccc2Oc2ccccc21 188356885 RRHVALJOLWHUHJ-UHFFFAOYSA-N 333.391 3.581 0 50 EHAA O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(O)cc1F 192459686 ZCLZKMQEEOXUSW-UHFFFAOYSA-N 339.326 3.711 0 50 EHAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1ccc(Cl)cc1F 219416511 WATRRUYXYQLKNH-SVGFKBNWSA-N 337.822 3.803 0 50 EHAA Cc1cc([C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)ccc1F 221040212 VVAKZLAABFIUDS-HIFRSBDPSA-N 337.391 3.702 0 50 EHAA C[C@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)c2ccnn21 247942347 VFOSASALFSWEMH-FDRIWYBQSA-N 331.366 3.651 0 50 EHAA O=c1c(=Cc2cccc3ccccc23)sc2nc3ccccc3n12 252670801 LSMSWMATNWABID-UHFFFAOYSA-N 328.396 3.610 0 50 EHAA O=C(Cc1c[nH]c2ccccc12)Nc1ncc(-c2ccccc2)cn1 253430406 KWZXRZPLLCLSJB-UHFFFAOYSA-N 328.375 3.806 0 50 EHAA CC(C)[C@@H]1C[C@H](CC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CCO1 272850060 ZXUFWEIAZJOMPU-AYOQOUSVSA-N 349.446 3.567 0 50 EHAA O=C(c1cc2ccccc2c(=O)o1)N1CCCCC[C@H]1c1ccncc1 277565067 XQANRVDNGLEMSZ-SFHVURJKSA-N 348.402 3.946 0 50 EHAA Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)co1 279832641 FCAVMHHRTLFSGN-DOMZBBRYSA-N 339.313 3.555 0 50 EHAA Cc1ccc(-c2cc(CN3[C@H](C(=O)O)C[C@@H]4CCCC[C@H]43)on2)cc1 294193731 GKCCMNDAZGKXGJ-IPELMVKDSA-N 340.423 3.868 0 50 EHAA Cc1ccc(SCCC(=O)N2CCC[C@@H]2c2ncc[nH]2)cc1C 328586927 UQRDCHYBROYUDD-MRXNPFEDSA-N 329.469 3.872 0 50 EHAA Cc1ccc([C@H](NC(=O)c2ccc(O)cc2F)c2ccccn2)cc1 366239455 BJXBDPVLEHDJSH-IBGZPJMESA-N 336.366 3.754 0 50 EHAA Cc1ccsc1CNC(=O)N1CCC[C@H](C(=O)c2cccs2)C1 426434551 UZGOOQBQRBIIGE-ZDUSSCGKSA-N 348.493 3.923 0 50 EHAA Cc1ccc(-c2cccc(CN3CCN(C4CCCC4)C(=O)C3)c2)o1 670450067 SEQOCCTXZYLCON-UHFFFAOYSA-N 338.451 3.842 0 50 EHAA COCc1ccc(C(=O)Nc2cnc(C(F)(F)F)cc2C)cc1F 875741423 BWMVZOXRNZEBMF-UHFFFAOYSA-N 342.292 3.947 0 50 EHAA O=C(O)C12CCC(C(=O)Nc3cccc(-c4ccon4)c3)(CC1)CC2 923219310 AJAVWSLGHQTMBC-UHFFFAOYSA-N 340.379 3.705 0 50 EHAA COc1cc(F)ccc1CN1CCC([C@@H](O)c2cccs2)CC1 952978448 CIZPVHCHBSNKCJ-GOSISDBHSA-N 335.444 3.841 0 50 EHAA Cc1ccccc1O[C@@H](C(=O)N(C)CCN(C)C1CCCC1)C(C)C 952989761 XZZSWRBNZHDSOL-HXUWFJFHSA-N 346.515 3.731 0 50 EHAA C[C@H](NC(=O)N(C)Cc1ccn(C)n1)c1cccc(Cl)c1Cl 1347215815 JIHRMGOTUFRRIE-JTQLQIEISA-N 341.242 3.630 0 50 EHAA COc1c(F)c(F)c(CN(C)CCN2CCCC[C@H]2C)c(F)c1F 1529178096 IBNQKQUDDNQXDU-LLVKDONJSA-N 348.384 3.558 0 50 EHAA CC(=O)N[C@H]1CN(Cc2ccccc2OC2CCCC2)C[C@@H]1C(C)C 1565531469 OLGMGEPVDUUIJX-UXHICEINSA-N 344.499 3.601 0 50 EHAA C[C@H](NC(=O)N1CCC(c2ccnc(O)c2)CC1)c1ccc(F)cc1 1772805886 VDUYUOPDQDNKLO-ZDUSSCGKSA-N 343.402 3.577 0 50 EHAA Cc1ccc2[nH]nc(C(=O)N[C@H]3CC[C@H](Oc4ccccc4)CC3)c2c1 1875305076 FXHUUVBSBFPUGT-JCNLHEQBSA-N 349.434 3.991 0 50 EHAA Clc1cc(Cl)c2c(c1)CC[C@H]2NC[C@@H]1CCC2(COC2)O1 2325765168 PIXPXCGKSMLHIU-GXTWGEPZSA-N 328.239 3.518 0 50 EHAA O=c1cc(CSc2ccc(-c3ccccc3)cc2)[nH]c2ccnn12 2325821485 SLUMYZNCBBVNPS-UHFFFAOYSA-N 333.416 3.982 0 50 EHAA C[C@H](CCc1ccc2c(c1)OCO2)OC(=O)c1cncc(C2CC2)c1 2325854615 MOMAMYFHMNHLAU-CYBMUJFWSA-N 339.391 3.866 0 50 EHAA Cc1sc2ncn([C@@H](C)C(=O)OC3CCCCC3)c(=O)c2c1C 38094 KLRIWKNTQFPBTE-NSHDSACASA-N 334.441 3.512 0 50 EHAA O=C1C[C@H](c2ccc(F)cc2)Sc2nc(-c3ccccc3)nn21 67882 ZVKDZHPEIOCYAC-CQSZACIVSA-N 325.368 3.962 0 50 EHAA Cc1ccc(C2=CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 440095 YUVHKLMNBVNBNI-UHFFFAOYSA-N 331.293 3.971 0 50 EHAA Cc1cccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccco2)CC3=O)c1 537108 VVQXQRPHRMMQRH-AWEZNQCLSA-N 347.374 3.543 0 50 EHAA Cc1ccsc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O 2123429 BKLAFWRAJGMJOQ-JYRVWZFOSA-N 332.812 3.803 0 50 EHAA CC(=O)Nc1ccc(NC(=O)CSCc2ccccc2C)cc1 2838679 XBQMMEKXDTWYBX-UHFFFAOYSA-N 328.437 3.825 0 50 EHAA O=C(CSc1nc2ccccc2o1)Nc1nc2c(s1)CCCC2 4144459 UAIHFEJUGDIRJE-UHFFFAOYSA-N 345.449 3.894 0 50 EHAA C[C@H](NC=O)c1nc2ccccc2n1Cc1c(F)cccc1Cl 4810221 ARJOOZDHGXVDQN-NSHDSACASA-N 331.778 3.684 0 50 EHAA C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc(Cl)cc1Cl 4834098 WIYQPGDOIYFSQF-BZPMIXESSA-N 332.271 3.996 0 50 EHAA Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccnc1 4868949 SAOJEFOZQPXIFF-UHFFFAOYSA-N 347.353 3.515 0 50 EHAA O=C(N[C@H]1CCCN(CC2CCCCC2)C1)c1ccc2[nH]ccc2c1 12025788 CALHODQEOAZDFJ-IBGZPJMESA-N 339.483 3.942 0 50 EHAA O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 16605032 DHVRKSMNGFLWEB-UHFFFAOYSA-N 338.190 3.695 0 50 EHAA O=C1S/C(=C/c2ccccc2F)C(=O)N1CNc1ccccc1 16671571 ZGHRLQQHNNPPQV-XNTDXEJSSA-N 328.368 3.932 0 50 EHAA Cc1ccc(C)c([C@H]2CC(=O)Nc3cc(N4CCCC4=O)ccc32)c1 65381601 VTGBIFREWSSUSH-SFHVURJKSA-N 334.419 3.904 0 50 EHAA Clc1ccc(COc2ccccc2[C@@H]2NCCc3[nH]cnc32)cc1 65456704 YMNHKTXOTNGAOC-SFHVURJKSA-N 339.826 3.877 0 50 EHAA O=C(c1ccco1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67741428 WBLGGVYAYHZOPH-UHFFFAOYSA-N 335.407 3.613 0 50 EHAA O=C(NCC[C@@H]1CCCN(Cc2ccncc2)C1)Nc1ccccc1 67805160 LYNKPAQJKLNGBD-KRWDZBQOSA-N 338.455 3.505 0 50 EHAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1nccc2ccccc12 72430525 XOBMMUDRPSWVEA-UHFFFAOYSA-N 342.402 3.693 0 50 EHAA COCCC[C@@H]1CCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 72435770 JMNJLNRQZDXCFZ-SFHVURJKSA-N 347.499 3.669 0 50 EHAA CCc1cc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)ccn1 77407033 WBFACELCZPBUNT-HNNXBMFYSA-N 342.414 3.714 0 50 EHAA COCCC[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 82161459 VAAZEOIIEIJXLR-QGZVFWFLSA-N 330.472 3.566 0 50 EHAA Cc1ncsc1CCC(=O)N1CCC[C@H](C(=O)c2cccs2)C1 96152920 HGCNCTWLZNCGBL-ZDUSSCGKSA-N 348.493 3.567 0 50 EHAA COc1ccc(-c2ccccc2CN2CCOCC2)c2cccnc12 96162692 MQXGWJRBPGGNEC-UHFFFAOYSA-N 334.419 3.743 0 50 EHAA c1ccc(C2(CNc3nccc(-c4ccccn4)n3)CCOCC2)cc1 96179907 KGKFHUAXANBUFL-UHFFFAOYSA-N 346.434 3.699 0 50 EHAA O=C1[C@H](Nc2ccc3c(c2)COC3)CCN1c1ccccc1Cl 152773804 NVPOKKKVHHIHBO-MRXNPFEDSA-N 328.799 3.588 0 50 EHAA Cc1ccc(SCC(=O)NCc2nc(C(F)(F)F)cs2)cc1 153221548 LIBKVQQLRBJDJE-UHFFFAOYSA-N 346.399 3.879 0 50 EHAA COc1cc(C)cc2c1OCC[C@@H]2NC(=O)N1CCC[C@H]1C(C)C 170616935 ADLQHAXXJLWORW-HOTGVXAUSA-N 332.444 3.657 0 50 EHAA Cc1oncc1-c1csc([C@H](NC(=O)c2ccccc2)C2CC2)n1 170618874 PVIJORRLNIEIHD-MRXNPFEDSA-N 339.420 3.988 0 50 EHAA CC(C)c1cc(C(=O)N(C)Cc2cnccn2)c(O)c(C(C)C)c1 172234360 SUWQVYZITGZZTN-UHFFFAOYSA-N 327.428 3.701 0 50 EHAA Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc3cccc(Cl)c3n2)n1 182713316 LVKVPAAWZFYFBH-LBPRGKRZSA-N 328.803 3.901 0 50 EHAA Cn1nc(CC(C)(C)C)cc1NC(=O)[C@@H]1CCCc2c(O)cccc21 190330005 QKQQUGKTYOMXGH-MRXNPFEDSA-N 341.455 3.773 0 50 EHAA CCO[C@@H](CNC(=O)c1c[nH]nc1-c1ccsc1)c1ccccc1 192772846 TWBVZSLTBFPGGG-INIZCTEOSA-N 341.436 3.646 0 50 EHAA C[C@H](CNCc1ccccc1CN1CCC(O)CC1)c1ccccc1 194494788 CMEOOCJJTQYPIS-GOSISDBHSA-N 338.495 3.537 0 50 EHAA Cc1cc(C)n(CC2(CNC(=O)C[C@H]3CCc4ccccc43)CC2)n1 215745979 ACEUUBYSTLKAIJ-GOSISDBHSA-N 337.467 3.516 0 50 EHAA Cc1noc(C)c1CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 225499936 BKDOUJFTKSEHGF-HOCLYGCPSA-N 340.345 3.618 0 50 EHAA CC(C)(C)OC(=O)NCCc1cccc(-c2cccc(CO)c2)c1 230461594 RFMZQAOJHCNBFR-UHFFFAOYSA-N 327.424 3.913 0 50 EHAA C[C@@H](NC(=O)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1ccccc1)c1ccccc1 241653321 PUERSTCNBRKEBJ-XFWGSAIBSA-N 348.446 3.557 0 50 EHAA O=C(CCCN1CCc2ccccc21)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 242284697 YJAFZTVHCPOTMW-UEVCKROQSA-N 346.474 3.674 0 50 EHAA O=C(O)c1cccc(CN(Cc2ccc(O)cc2)Cc2cccnc2)c1 244884472 YNHZCYJQIUTYIL-UHFFFAOYSA-N 348.402 3.688 0 50 EHAA Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](c1nc(C2CC2)no1)C(C)C 245986695 ZWGUIJKAGXTMFK-RDBSUJKOSA-N 345.468 3.934 0 50 EHAA C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cc2ccc(C(=O)O)cc2)C1 263366887 WKLWLRZHUBUGAX-FZKQIMNGSA-N 341.382 3.676 0 50 EHAA CC(C)(C)OC(=O)Nc1ccc(Br)c(F)c1C(=O)O 306763904 JPYFWHHDDFYOFK-UHFFFAOYSA-N 334.141 3.633 0 50 EHAA O=C(N[C@@H]1CCOc2c(F)cccc21)C1(c2cccnc2)CCCC1 341409802 PABJYKVXPAVTIX-QGZVFWFLSA-N 340.398 3.673 0 50 EHAA COc1ccnc(O)c1C(=O)N1C[C@@H](c2ccccc2)c2ccccc21 376090249 CHUKISMJUTZJPR-INIZCTEOSA-N 346.386 3.588 0 50 EHAA Cc1cccc2c1c(-c1ccc([C@@H](C)N3CCOCC3)cc1)nn2C 426604626 UNOPTIBEHKIODN-MRXNPFEDSA-N 335.451 3.942 0 50 EHAA Fc1ccc(CC2CCN(c3cc([C@@H]4CCOC4)ncn3)CC2)cc1 426613665 RTDSTWLFABOPBV-QGZVFWFLSA-N 341.430 3.579 0 50 EHAA Cc1ccc2c(c1)nc(CNC(=O)N1CCC[C@@H]1c1ccccc1)n2C 670162379 IKXQTNMSQMMKBK-GOSISDBHSA-N 348.450 3.928 0 50 EHAA CC(C)(C)C[C@@H](NS(=O)(=O)Cc1ccccc1)c1cccnc1 670444591 ZCCNKJJFASKLJS-QGZVFWFLSA-N 332.469 3.679 0 50 EHAA CC(C)(C)Oc1c(F)cc(NC(=O)[C@@H]2CC[C@H](C(=O)O)C2)cc1F 911512910 VNPSENVZGTUVFS-ZJUUUORDSA-N 341.354 3.582 0 50 EHAA CCCc1nc(C(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)cs1 952977384 AWPUQCXZKPZMSR-LBPRGKRZSA-N 343.452 3.863 0 50 EHAA CCCC[C@@H]1C(=O)N(C)CCN1Cc1ccc(-c2cccnc2)cc1 952980566 XDKXESXATJBJGV-HXUWFJFHSA-N 337.467 3.581 0 50 EHAA CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)c1cnc(O)c(Cl)c1 1506430598 XNLCZFPXTRAQFE-LJQANCHMSA-N 344.842 3.881 0 50 EHAA Oc1cc(C2CCN(CCOc3ccc(Cl)cc3)CC2)ccn1 1772810161 IPRXYQYFZCGIOE-UHFFFAOYSA-N 332.831 3.699 0 50 EHAA CC1(C)CCCN(c2ccnc(N[C@@H]3CC[C@@H]4[C@@H](C3)C4(F)F)n2)C1 1875329865 HFQCAOIHIZWQAG-MGPQQGTHSA-N 336.430 3.949 0 50 EHAA O=C(CCN1CCO[C@H](Cc2ccccc2)C1)c1ccc(Cl)cc1 1875350233 FTJANSIHXKAEPG-LJQANCHMSA-N 343.854 3.856 0 50 EHAA CCCC(CCC)C(=O)NC[C@H](C)N(C)C(=O)[C@@H]1CC12CCCC2 2325792990 AXLJIIFCKNWRKX-RDJZCZTQSA-N 336.520 3.746 0 50 EHAA Cc1nc2ccc(CNCCc3nc(C(F)(F)F)cs3)cc2[nH]1 2325812327 JKARXMCVRRZKRG-UHFFFAOYSA-N 340.374 3.679 0 50 EHAA COc1ccccc1[C@H](CF)NC(=O)c1ccc2ncsc2c1 2325817362 AHJGBWRIIXFUIF-AWEZNQCLSA-N 330.384 3.746 0 50 EHAA Cc1ccc2c(nc3s/c(=C\c4ccccc4Cl)c(=O)n32)c1C 69214 FKYMLNXJCXSXGS-DHDCSXOGSA-N 340.835 3.727 0 50 EHAA CC[C@@H](C)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)c(O)c1 1219264 QJFVAQGLFOAOLL-GFCCVEGCSA-N 327.380 3.929 0 50 EHAA CC(C)(C)c1cc(N2CCOCC2)n2ncc(-c3ccccc3)c2n1 2235533 QEYFBBZACCRWKD-UHFFFAOYSA-N 336.439 3.530 0 50 EHAA C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 2954448 KSUFHQNWJXXNHA-MTIDIVMFSA-N 345.398 3.577 0 50 EHAA CCOc1c(Cl)cc(CNCc2ccc3c(c2)OCO3)cc1OC 4488521 MUKRMHKJTJLJQD-UHFFFAOYSA-N 349.814 3.766 0 50 EHAA Cc1cccc(-c2noc(CN(C)C(=O)Nc3ccc(F)cc3)n2)c1 6697982 QQHKZQMDDZDCFF-UHFFFAOYSA-N 340.358 3.848 0 50 EHAA CCn1ccc(C(=O)Nc2ccc(Br)cc2Cl)n1 6728879 QMOHZANJFOFQHT-UHFFFAOYSA-N 328.597 3.571 0 50 EHAA CC(C)C(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccccc2)c1 9231716 OXPLQVADWOQLMR-CQSZACIVSA-N 326.396 3.687 0 50 EHAA Cc1ccc(-c2cccc3c2O[C@H](CNC(=O)[C@@H]2CC=CCC2)C3)nc1 12509476 ZHAKVTRJLUBCES-AEFFLSMTSA-N 348.446 3.833 0 50 EHAA COc1cccc([C@@H](C)N(C)Cc2nc(-c3cccs3)no2)c1 12582416 IEKUPYYGMOPRGP-GFCCVEGCSA-N 329.425 4.000 0 50 EHAA CCCCC[C@@H](O)CC[C@@H]1CCC(=O)N1CCCCCCC(=O)O 13488371 CBWGHEDGUILASE-IAGOWNOFSA-N 341.492 3.734 0 50 EHAA in-vitro COc1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 19360177 BQWJCGOHAHJKNO-UHFFFAOYSA-N 330.859 3.666 0 50 EHAA c1ccc(COc2ccccc2OCCCCN2CCOCC2)cc1 20653024 QNBBFKNEIJVWSU-UHFFFAOYSA-N 341.451 3.757 0 50 EHAA COc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)cc1 28292038 PBAYZRYNJPCLGS-HXUWFJFHSA-N 338.451 3.652 0 50 EHAA COc1ccccc1/C=C/CN1CCC(n2cc(C3CC3)nn2)CC1 55243261 UJYOKQUBQSEZAG-GQCTYLIASA-N 338.455 3.514 0 50 EHAA O=c1c(CN2CCSCC2)coc2c(Cl)cc(Cl)cc12 55292342 BODCRTLDMYOOOC-UHFFFAOYSA-N 330.236 3.649 0 50 EHAA CC[C@@H](C)N(Cc1ccccc1Cl)Cc1nccn1CCOC 55344350 VZLGPBUNZKWUQD-OAHLLOKOSA-N 335.879 3.984 0 50 EHAA CC(=O)Nc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2)no1 68025662 QKAIFGSVZFNBMU-UHFFFAOYSA-N 335.363 3.861 0 50 EHAA O=C(O)c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c1 72162059 QGKNOJASWSJFBH-UHFFFAOYSA-N 344.374 3.935 0 50 EHAA Cc1ccc2nc([C@@H]3CCCN3Cc3noc(-c4ccco4)n3)[nH]c2c1 72170044 KDGHWBNAHHUNEB-HNNXBMFYSA-N 349.394 3.851 0 50 EHAA O=C(c1c[nH]nc1-c1cccs1)N1CC[C@@H](c2ccccc2F)C1 77388312 BFFNWMTZKTYDGX-GFCCVEGCSA-N 341.411 3.907 0 50 EHAA CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)N[C@H]2CCCNC2=O)c1 97394163 IOTAVAXUTHWQQU-HNNXBMFYSA-N 345.487 3.682 0 50 EHAA Cc1cc(NC(=O)N(C)CCC[C@@H]2CCCO2)n(CCC(C)C)n1 97831194 ZPPYQHRNTXXUBN-MRXNPFEDSA-N 336.480 3.661 0 50 EHAA O[C@H](c1ccc(F)cc1)C1CCN(Cc2ccc3cn[nH]c3c2)CC1 123775216 HUTLTWXGHASSRF-HXUWFJFHSA-N 339.414 3.648 0 50 EHAA CCc1ccc(-c2noc(-c3ccc4c(c3)CCC(=O)N4C)n2)cc1 136452719 CXOBBAJZUOOXGD-UHFFFAOYSA-N 333.391 3.875 0 50 EHAA O=C(c1ccc(-n2cccn2)cc1)N(c1ccccn1)C1CCCC1 154457991 SYLKCMSLUMDYGR-UHFFFAOYSA-N 332.407 3.857 0 50 EHAA COc1ccc2oc([C@@H](C)NCc3nnc(C)n3C3CC3)c(C)c2c1 170077500 VUYLBONSNSNHHT-GFCCVEGCSA-N 340.427 3.835 0 50 EHAA O=C1CCCc2ccc(NCc3nc(-c4cccs4)no3)cc21 175156016 QBFONINMMIWXCP-UHFFFAOYSA-N 325.393 3.929 0 50 EHAA O=C(Nc1ccsc1)Nc1ccccc1OCCn1ccnc1 191409676 NLMIMJAALROVOW-UHFFFAOYSA-N 328.397 3.668 0 50 EHAA CCC1=C(C(=O)Nc2nnc(Cc3ccccc3F)s2)CCCO1 191477021 VAEGBCYFWARVAR-UHFFFAOYSA-N 347.415 3.681 0 50 EHAA CCN(C[C@@H]1CCCO1)C(=O)Nc1ncc(Cc2ccccc2)s1 194843215 SGWJUTROOVYORX-HNNXBMFYSA-N 345.468 3.767 0 50 EHAA Cc1ccc(C)n1CC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 253404098 HQRMFCXYEQFZFE-UHFFFAOYSA-N 341.842 3.825 0 50 EHAA CN(Cc1ccccc1)C(=O)C1(Cc2ccc(F)cc2)CCOCC1 292406660 XXLUCPZJRQPQEQ-UHFFFAOYSA-N 341.426 3.824 0 50 EHAA CC(C)(C)c1cc(CNC(=O)[C@]2(c3cccs3)CC2(C)C)[nH]n1 299766756 RTGJJZGKNBKXKG-GOSISDBHSA-N 331.485 3.753 0 50 EHAA COCC1(CNC(=O)c2cc3cccc(Cl)c3n2C)CCCC1 299773803 FVWYZRVQLXQNJD-UHFFFAOYSA-N 334.847 3.768 0 50 EHAA CC(C)c1noc([C@@H](N[C@@H](C)CCc2ccco2)C2CCOCC2)n1 328622292 IKEZLZRVAKRJIB-YOEHRIQHSA-N 347.459 3.865 0 50 EHAA C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1c(Cl)cncc1Cl 354941108 JDSSRNJBYDVUFM-NXSYQRQQSA-N 341.169 3.780 0 50 EHAA CC(C)(C)Cc1nc2cc(NC(=O)c3ccnc(O)c3)ccc2o1 390833648 KVHSBSSIUZJEQU-UHFFFAOYSA-N 325.368 3.769 0 50 EHAA COc1ccccc1-c1nc(CN2CCC[C@H](CCO)CC2)cs1 421039542 MMQWLUMGGSNBCV-HNNXBMFYSA-N 346.496 3.803 0 50 EHAA CC[C@H]1CN(C(=O)c2cccc(-c3cnc4ccccc4n3)c2)CCO1 426388595 WCYKAXAEANTCAM-KRWDZBQOSA-N 347.418 3.548 0 50 EHAA Cc1cc(NC(=O)NC(C)(C)C(=O)c2ccccc2)nn1C(C)C 864096796 HVQBDNSZYJNVKY-UHFFFAOYSA-N 328.416 3.555 0 50 EHAA COc1cc2c(cc1CNCCCc1ccccc1F)OCCCO2 952977636 KPEKFTGZROZGCD-UHFFFAOYSA-N 345.414 3.718 0 50 EHAA CCCCN(Cc1ccsc1)C(=O)[C@@H]1CC(=O)OC12CCCC2 1506431238 GTUUJDKEBSXMLO-HNNXBMFYSA-N 335.469 3.753 0 50 EHAA Cc1c(O)cccc1C(=O)N1C[C@H](C2CC2)O[C@H](c2ccccc2)C1 1529172401 GWAZVMSCOFXMKM-VQTJNVASSA-N 337.419 3.693 0 50 EHAA O[C@H]1C[C@@H]2CN(C[C@@H]3CC3(c3ccccc3)c3ccccc3)C[C@@H]2C1 1857693036 FSEZGYLIWMMKSW-GKJHBJHPSA-N 333.475 3.695 0 50 EHAA Cc1sc(NC(=O)Cc2cc3ccccc3nc2O)nc1C1CC1 1875257405 PCFVYCZTPAAYBW-UHFFFAOYSA-N 339.420 3.764 0 50 EHAA C[C@@H](c1ccc(C(F)(F)F)cc1)[S@](=O)Cc1ccn(CCF)n1 1875279288 MLPNCEDGZLCZEH-BSNNYGBQSA-N 348.365 3.881 0 50 EHAA Cc1ccsc1CN(C)C(=O)[C@H](N)c1ccc(F)c(Cl)c1 1875287249 AYUBROPKXUXAMA-CQSZACIVSA-N 326.824 3.507 0 50 EHAA CC(C)c1ccccc1OC[C@@H](O)CN1CC[C@H]2[C@@H](CC1)C2(F)F 1875292701 QHDSUMGFOHQXCO-BHYGNILZSA-N 339.426 3.527 0 50 EHAA Cc1ccc2c(N3CC[C@@H](OCc4nccs4)C3)ccnc2c1 2325789288 IACXKMBSMJQNFU-CQSZACIVSA-N 325.437 3.795 0 50 EHAA C[C@H](CNC(=O)NCc1ccccc1OC(F)(F)F)C1CCC1 2325879853 KCEGGMKLIZOGIX-LLVKDONJSA-N 330.350 3.821 0 50 EHAA Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 44717 PMFHLBMNBWGGON-AWEZNQCLSA-N 342.826 3.948 0 50 EHAA CC[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 68362 YEUKMYWHYYIKPY-VIFPVBQESA-N 334.466 3.676 0 50 EHAA CC[C@H](Sc1nc(C)cc(C)n1)C(=O)N[C@@H](C)c1ccccc1 202459 PYZNNZMHRALXDR-HOCLYGCPSA-N 329.469 3.842 0 50 EHAA CCOc1ccc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 209558 XFBSPTWCSDWFHZ-UHFFFAOYSA-N 338.451 3.610 0 50 EHAA COC(=O)c1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1 216212 TYPONQKJMPXEDS-UHFFFAOYSA-N 325.383 3.902 0 50 EHAA CCc1cc(C)cc(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 242899 APANHJUKHGWSMG-SFHVURJKSA-N 338.451 3.964 0 50 EHAA Cc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1 368096 WRVUVTQUWMVMLM-UHFFFAOYSA-N 334.375 3.770 0 50 EHAA CCOC(=O)c1cnn2c(C(F)F)cc(-c3ccc(OC)cc3)nc12 372313 QTKMYIMPBXHAIZ-UHFFFAOYSA-N 347.321 3.519 0 50 EHAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccco1 444859 QHFFBDMYVKINSE-UHFFFAOYSA-N 334.734 3.966 0 50 EHAA COc1ccccc1Oc1ccc(NC(=O)CCCC(=O)O)cc1 466657 MLABBLSCGGHEGW-UHFFFAOYSA-N 329.352 3.681 0 50 EHAA CCOCCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 1745246 DKMZAASIRFBEIK-UHFFFAOYSA-N 347.798 3.786 0 50 EHAA Cc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)s1 2742075 SCGFPNJZFDXMSR-LURJTMIESA-N 332.212 3.559 0 50 EHAA COc1cc(C=O)cc(Br)c1OC(=O)c1cccs1 2994232 LVCCSAPEYVICEV-UHFFFAOYSA-N 341.182 3.551 0 50 EHAA O=C(CCC1CCCC1)N1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 11874734 GZBHWOYYSAVULM-OAQYLSRUSA-N 347.474 3.940 0 50 EHAA c1ccc2sc(N3CCC[C@H](NC4CCSCC4)C3)nc2c1 11878956 MWUPKCKIEZALEB-AWEZNQCLSA-N 333.526 3.750 0 50 EHAA CCn1cc(CNC(=S)Nc2ccc(Cl)c(Cl)c2)cn1 17067419 HSHHFYOOCWRPEU-UHFFFAOYSA-N 329.256 3.696 0 50 EHAA Oc1ccc(I)cc1OCc1ccccc1 34560632 SUUAJTJMEHPEDV-UHFFFAOYSA-N 326.133 3.576 0 50 EHAA in-vitro COc1cc(Br)c(Cl)cc1I 36532756 XJRTUQVOZQYNPO-UHFFFAOYSA-N 347.377 3.716 0 50 EHAA C[C@H](CO)CN(Cc1ccccc1)C(=O)c1cccc2cccnc12 55037067 PGZOOHCMHQMQAT-INIZCTEOSA-N 334.419 3.506 0 50 EHAA CCCN(Cc1cccc(Cl)c1)C(=O)CN(C)Cc1cccnc1 55060985 YRNIPMHVLMQSPQ-UHFFFAOYSA-N 345.874 3.606 0 50 EHAA Cc1ccn2c3c(nc2c1)CNC(=O)C[C@H]3c1cc2ccccc2o1 65467652 QRDVIZQECWPBPL-AWEZNQCLSA-N 331.375 3.541 0 50 EHAA Cc1nccc(N2CCc3onc(-c4ccc(Cl)cc4)c3C2)n1 67675301 TVWMUHHYDHBNJC-UHFFFAOYSA-N 326.787 3.656 0 50 EHAA CN(C)Cc1cncc(Oc2ccc(CN3CCCC3)cc2Cl)n1 67947594 COHOMVMKLQWJKW-UHFFFAOYSA-N 346.862 3.580 0 50 EHAA CCc1[nH]c2ccc(CNC(=O)[C@H]3CCCCCN3C)cc2c1C 71721696 IXBFTDXGSPLBJP-LJQANCHMSA-N 327.472 3.529 0 50 EHAA O=C(c1cccc(CC2CCNCC2)c1)N1CCC[C@@H]1c1ccccn1 72162249 MGECFUYEDQIOBD-OAQYLSRUSA-N 349.478 3.601 0 50 EHAA CC[C@@H]1c2cccn2CCN1C(=O)c1c(C)n(C)c2ccc(O)cc12 72463877 RCYNWDHDUZMDOU-MRXNPFEDSA-N 337.423 3.601 0 50 EHAA CCn1nc(C(C)C)cc1C(=O)N[C@@H](c1ncccc1C)C1CC1 91486481 BYAQVAFRFWFCDR-GOSISDBHSA-N 326.444 3.611 0 50 EHAA CCN1CCCC[C@H]1C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 97713679 IYMKUHQLXYVTSR-IBGZPJMESA-N 325.456 3.533 0 50 EHAA CCOc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cn1 151429960 RUSYIHMZTRLUTC-UHFFFAOYSA-N 329.425 3.863 0 50 EHAA Cc1cc(C)c(CNc2cc(-c3ccoc3C)nn2CCO)cc1C 169976508 DAPFILNCNODFSL-UHFFFAOYSA-N 339.439 3.981 0 50 EHAA Cc1ccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(C)n1 186497537 NAXJTMJSQPOGCM-UHFFFAOYSA-N 349.478 3.755 0 50 EHAA Cc1ocnc1C(=O)Nc1c(Cl)cc(F)cc1Br 193620609 OWKDDTZTSFZSDT-UHFFFAOYSA-N 333.544 3.790 0 50 EHAA Cn1nc(CC(C)(C)C)cc1NC(=O)CCc1ncc(C(C)(C)C)o1 193626187 VCFHBAZISSDXIL-UHFFFAOYSA-N 346.475 3.866 0 50 EHAA CCN(Cc1nc(C(C)C)no1)C(=O)c1ccc(Cl)cc1F 222496845 RKGXDKVISLJMQG-UHFFFAOYSA-N 325.771 3.648 0 50 EHAA O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2ccn(C3CCCC3)n2)C1 225501206 IHKBQAQKRPCYPY-APWZRJJASA-N 347.409 3.584 0 50 EHAA CCN(C(=O)c1ccc(C(N)=O)s1)c1ccc(C(F)(F)F)cc1 225761261 AYOFBUGIVXRAPS-UHFFFAOYSA-N 342.342 3.533 0 50 EHAA COc1ccc([C@@H](NC(=O)N(C)Cc2ccco2)C(F)F)cc1F 252478686 ASIRQEGLYGYUNY-CQSZACIVSA-N 342.317 3.575 0 50 EHAA Cc1ccc2c(c1)N(C(=O)c1cc3ccccc3c(=O)o1)CCCO2 253395474 MHZUDEGGFDVBTJ-UHFFFAOYSA-N 335.359 3.531 0 50 EHAA CC(C)c1nc(C2(NC(=O)c3ccoc3C3CC3)CCCC2)no1 253430749 SBLKQSLVAVHHSO-UHFFFAOYSA-N 329.400 3.863 0 50 EHAA Cc1ccccc1-n1nccc1CNc1ccc(O[C@H]2CCOC2)cc1 280154948 FYSQGZXQTIKMII-FQEVSTJZSA-N 349.434 3.961 0 50 EHAA O=C(C[C@@H]1CCc2ccccc2C1)N1CCC2(CCOCC2)CC1 284648753 WBEVPUFYIOJOMW-QGZVFWFLSA-N 327.468 3.601 0 50 EHAA OC[C@]1(c2ccccc2)CCN(Cc2csc(-c3ccco3)n2)C1 291357099 XYKJRYRZEHCLAO-IBGZPJMESA-N 340.448 3.539 0 50 EHAA CCn1cc(C2CCN(c3cnc(-c4ccccc4)cn3)CC2)cn1 291638561 MGRONTIQLLHPNG-UHFFFAOYSA-N 333.439 3.744 0 50 EHAA O=C1C[C@@H](c2nc(CC3CCCC3)no2)CN1c1c(F)cccc1F 293460394 YTCFWUCFAUNVMG-GFCCVEGCSA-N 347.365 3.601 0 50 EHAA O=C(O)C[C@H]1CCCN(Cc2ccccc2Br)CC1 299745877 TTZKQIADVQQEOP-LBPRGKRZSA-N 326.234 3.526 0 50 EHAA Cc1nc(CCCNC(=O)Nc2cc(C(C)(C)C)nn2C)sc1C 299788277 XZYFVKUEPYIAEF-UHFFFAOYSA-N 349.504 3.545 0 50 EHAA Cc1nnc(N(CCC(C)C)C(=O)[C@H]2CO[C@@H](C)C2)c2ccccc12 331987200 UGENTOMVEVKJGR-GOEBONIOSA-N 341.455 3.742 0 50 EHAA C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)Cc1c[nH]c2ncccc12 374259546 SNYBIIASNISASW-WBVHZDCISA-N 333.435 3.900 0 50 EHAA CCC(CC)n1ncc(C(=O)NCc2nc3ccccc3o2)c1C 408517619 OJSRFVQLDDIAOU-UHFFFAOYSA-N 326.400 3.624 0 50 EHAA CNCCC1CCN(C(=O)c2cccc(-c3ccccn3)c2C)CC1 423493453 QBXYYUDVVXIVTE-UHFFFAOYSA-N 337.467 3.519 0 50 EHAA COc1ccc(-c2ncccc2C(=O)N2CCCC2)c2cccnc12 426575196 ZWUCXHSFCMDSGN-UHFFFAOYSA-N 333.391 3.541 0 50 EHAA CO[C@H]1CCCN(C(=O)NCC2(c3ccccc3)CCCCC2)C1 426606676 BHLIWRUZUWZXSN-SFHVURJKSA-N 330.472 3.709 0 50 EHAA Cc1cc([C@@H](C)NC(=O)N2CCC(c3c[nH]nc3C)CC2)ccc1F 652944928 CMYLSMUULVHLQL-CYBMUJFWSA-N 344.434 3.816 0 50 EHAA CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cccc(-n3cccc3)c2)C1 731469808 YPSZNJNMVWKJEM-FQEVSTJZSA-N 345.446 3.610 0 50 EHAA CN(CCN1CCCCCC1)Cc1cc(CN2CCCC2)cs1 823719875 UZSUXXDGNIPYFT-UHFFFAOYSA-N 335.561 3.652 0 50 EHAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1csc(C2CC2)n1 890458015 JBJMORZRTJDZKI-UHFFFAOYSA-N 338.436 3.683 0 50 EHAA COc1ccc(Cc2nc(C3(c4ccncc4)CCC3)no2)c(C)c1 904102578 VRMRHHGSWHWPCI-UHFFFAOYSA-N 335.407 3.842 0 50 EHAA CC1(C)C[C@H](c2ccccc2)CN1C(=O)Nc1ccnc2ccnn12 934979508 IQIDTJYSIMXSOH-HNNXBMFYSA-N 335.411 3.529 0 50 EHAA CN(CC(=O)Nc1ccc(N(C)C)c(Cl)c1)Cc1ccc(F)cc1 952985197 QMEUSLZWHWDEHU-UHFFFAOYSA-N 349.837 3.616 0 50 EHAA CC(C)(C)OC(=O)Nc1ccc(CNc2ncnc3[nH]ccc23)cc1 1339941405 CJQRWZKIXOTELF-UHFFFAOYSA-N 339.399 3.917 0 50 EHAA Cc1cccn2c(CNCc3cccc(NC(=O)C4CCC4)c3)cnc12 1473921360 JBPSNYDOXHDOQS-UHFFFAOYSA-N 348.450 3.671 0 50 EHAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCN(Cc2ccsc2)CC1 1615751048 DZZDUZQGHAAQLZ-MOPGFXCFSA-N 340.492 3.586 0 50 EHAA Cc1c(O)cccc1C(=O)N(C)[C@H](C)c1cc(-c2ccccc2)n[nH]1 1772709672 LQJGIDCFZBSYJQ-CQSZACIVSA-N 335.407 3.924 0 50 EHAA Cc1cc(OC(F)F)ccc1NC(=O)c1ccc2nccnc2c1 1857528399 XONGLUXJOZHEKI-UHFFFAOYSA-N 329.306 3.792 0 50 EHAA Cn1cc([C@H]2CSCCCN2C(=O)c2ccc(C3CC3)s2)cn1 1875271840 ARIDSYRRHUHRDR-CQSZACIVSA-N 347.509 3.679 0 50 EHAA CO[C@@H]1C[C@H](CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1(C)C 1875298953 TVPBWFCUNDFLCB-IUODEOHRSA-N 347.846 3.521 0 50 EHAA S=C(Nc1ccccc1)N1CCN(c2ccccc2Cl)CC1 278623 BHVMHHCLCSBBTQ-UHFFFAOYSA-N 331.872 3.859 0 50 EHAA CCOc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OCC 445720 NDXAVLTYSLMTFT-RAXLEYEMSA-N 343.404 3.890 0 50 EHAA Cc1occc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1054677 QAESSJMBZMDWCW-UHFFFAOYSA-N 339.222 3.857 0 50 EHAA CCCCN1CC[C@@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 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CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cc(C)no2)cc1 47523914 YCUGSDVMAWSTAZ-HNNXBMFYSA-N 343.383 3.529 0 50 EHAA S=C(Nc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 55043995 TZTGPKPSFAHZFS-JXMROGBWSA-N 337.492 3.714 0 50 EHAA CCOC(=O)c1cnn(Cc2nc(-c3ccccc3Cl)oc2C)c1 67677957 DFRFBIYVSZJYCU-UHFFFAOYSA-N 345.786 3.725 0 50 EHAA C[C@@]1(O)CCN(C(=O)/C=C/c2ccccc2)C[C@@H]1Cc1ccccc1 67909971 JYPJFVXKSOYAQF-BURLSREDSA-N 335.447 3.542 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 91320178 RAHQUTXOLRERNE-GFCCVEGCSA-N 334.370 3.593 0 50 EHAA CC(C)=CCN1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91986449 SPEOMECKBVHTMS-UHFFFAOYSA-N 326.484 3.857 0 50 EHAA O=C(O)c1cccc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)c1 95363325 BSPYVXNORHOBQJ-INIZCTEOSA-N 327.355 3.544 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)c(F)c1 95367294 IHYKDOULAGOTOF-OAHLLOKOSA-N 329.419 3.931 0 50 EHAA CC[C@H](NC(=O)c1cc(Cl)c(C)c(Cl)c1)c1ccnn1C 95369745 UFNXHTHRZHVZQD-ZDUSSCGKSA-N 326.227 3.916 0 50 EHAA COc1ccccc1-c1ccc(NC(=O)N2CCCC[C@@H]2CO)cc1 95496528 NCOCJEBOKCBKIP-QGZVFWFLSA-N 340.423 3.741 0 50 EHAA Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc3c(c2)nnn3C)c1 122713904 PRDPXLGKASXJBC-SFHVURJKSA-N 334.423 3.562 0 50 EHAA C[C@H](c1nc(Cc2ccccc2)no1)N1CCc2ccc(F)cc2C1 133943994 BANGXDZHRKATEA-CQSZACIVSA-N 337.398 3.919 0 50 EHAA O=C(Nc1cccc2[nH]cnc12)c1ccc(N2CCCCCC2)nc1 136218140 IYTIJBKXBWZGRD-UHFFFAOYSA-N 335.411 3.591 0 50 EHAA C[C@@H](c1nccs1)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 170601095 GZIGCTMCUANSDW-UONOGXRCSA-N 339.505 3.783 0 50 EHAA O=C(Nc1cnccc1-c1cccc(F)c1)[C@H]1Cc2ccccc2O1 177528857 HBEBUQWDCSIHGV-LJQANCHMSA-N 334.350 3.830 0 50 EHAA Cn1nccc1CN[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 185442501 XQPXSNQVZVMPMI-HNNXBMFYSA-N 342.443 3.850 0 50 EHAA CCOc1ccc2c(c1)[C@@H](NC(=O)c1cc(C)c(F)cc1F)CCO2 185654192 ANCMZNYEAPXPCN-KRWDZBQOSA-N 347.361 3.926 0 50 EHAA C[C@H](CC(=O)N1C[C@H](C(=O)O)c2ccccc21)c1cccc(F)c1 192949065 CJHCHQLGSQITLO-WBMJQRKESA-N 327.355 3.534 0 50 EHAA O[C@]12CCCC[C@H]1CN(Cc1ccccc1OC(F)(F)F)CC2 214991406 HFMJURSQCFPOLH-HOCLYGCPSA-N 329.362 3.712 0 50 EHAA CC(=O)Nc1nccc(-c2cnc(-c3ccc(Cl)cc3)s2)n1 221588765 JUOFXFPEOJWROB-UHFFFAOYSA-N 330.800 3.879 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(OCC(=O)O)c3ccccc23)s1 237640077 GKDXASKDKRJLCO-UHFFFAOYSA-N 341.388 3.925 0 50 EHAA Cc1nc(C2CC2)oc1C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 241774070 RMVHBQNYHFWIIT-INIZCTEOSA-N 348.406 3.501 0 50 EHAA O=C(Cc1cnccn1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 252497112 PZLFPJNYTDEQFZ-LJQANCHMSA-N 337.810 3.578 0 50 EHAA CSCC[C@H](C(=O)Nc1cccc2ncccc12)n1cccc1 263588022 OAYYYBJEKSNVEK-QGZVFWFLSA-N 325.437 3.969 0 50 EHAA Cc1nc(CNC(=O)[C@H]2CCCO[C@H]2C)oc1-c1ccc(Cl)cc1 276968470 XLBUIPSTPUUEBE-WFASDCNBSA-N 348.830 3.735 0 50 EHAA Cc1ncc(NC(=O)N2CCC(c3cccc(Cl)c3)CC2)cn1 281058057 BKPURZBSKNYDTA-UHFFFAOYSA-N 330.819 3.850 0 50 EHAA CCCCOc1ccc(NC(=O)N2CC(c3ccccn3)C2)cc1 299796719 ODTSUHULPDFVJB-UHFFFAOYSA-N 325.412 3.892 0 50 EHAA C[C@@H](C1CC1)n1cc(Nc2ccc3nnc(-c4ccccc4)n3n2)cn1 302351871 BQNXOFIOYMZFSL-ZDUSSCGKSA-N 345.410 3.702 0 50 EHAA O=C(c1conc1C1CC1)N1CCC(OCc2ccccc2F)CC1 365687373 MSKIVIVDWOGUHP-UHFFFAOYSA-N 344.386 3.513 0 50 EHAA CCOc1ccc(OC)cc1NCC1CCN(C(=O)C(C)(C)C)CC1 408516000 WRGXSWPEKUDOOC-UHFFFAOYSA-N 348.487 3.791 0 50 EHAA CN(CCCOc1cccc(Cl)c1)c1cc([C@@H]2CCOC2)ncn1 426494381 KPKLNXSIFGSIEQ-CQSZACIVSA-N 347.846 3.539 0 50 EHAA CC[C@H](C)C(=O)Nc1ccccc1NC(=O)Cc1sc(C)nc1C 822560090 UYBYTFDPKPXHFC-NSHDSACASA-N 345.468 3.926 0 50 EHAA Cc1nc(C[S@](=O)c2ccc3[nH]ncc3c2)sc1C(C)(C)C 899289954 XXLILJVZKXVPAH-QFIPXVFZSA-N 333.482 3.933 0 50 EHAA Cc1cc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)oc1C(=O)O 911718654 OXLBKTSCUVZDHL-AULYBMBSSA-N 333.771 3.616 0 50 EHAA CCN1CCCC[C@@H]1CNC1CCN(c2ccc(F)cc2C)CC1 952980983 YDZDHUVXXXVMJM-LJQANCHMSA-N 333.495 3.567 0 50 EHAA O=C(Nc1nccc(-c2ccccc2)n1)[C@@H]1CCOC2(CCCC2)C1 1337794351 MIOLIHRKMWALBE-MRXNPFEDSA-N 337.423 3.822 0 50 EHAA COc1ccc(OC)c([C@H](C)NC2CCN(Cc3ccco3)CC2)c1 1506402577 UBMSHOLEUIBKLM-HNNXBMFYSA-N 344.455 3.612 0 50 EHAA COc1cccc(SCC(=O)Nc2c(C)cnn2CC(C)C)c1 1506407589 JDHFQJMKVVAPKZ-UHFFFAOYSA-N 333.457 3.587 0 50 EHAA Fc1ccc(CN2C[C@@H]3CC[C@H]2CN(Cc2cscn2)C3)cc1F 1565513069 XRPFCWANFACEMB-ZBFHGGJFSA-N 349.450 3.518 0 50 EHAA COc1ccc(OCC2CCN(c3nc(C)ncc3Cl)CC2)cc1 1772706712 PBSJRBYWGZFVDE-UHFFFAOYSA-N 347.846 3.742 0 50 EHAA COc1ccc(F)c(F)c1-c1nccn1-c1cccc2c1CCO2 1772806549 GRGSRGLKHQHJBF-UHFFFAOYSA-N 328.318 3.761 0 50 EHAA Cc1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)c1 1775986642 HPDZRRJSALTQKW-IBGZPJMESA-N 347.422 3.601 0 50 EHAA C[C@H](Cn1cncn1)n1ccnc1-c1ccc(CC(F)(F)F)cc1 1857682238 HDHVCVINKVNUNJ-GFCCVEGCSA-N 335.333 3.508 0 50 EHAA Cc1cc(Cl)cc(C(=O)N[C@@H](C(=O)O)[C@H]2CCc3ccccc32)c1 1875344971 QLSSJOANTVPRBY-DLBZAZTESA-N 343.810 3.561 0 50 EHAA Cc1cccc(-c2cccc(CN=c3ccc(-n4ccnc4)n[nH]3)c2)c1 2325704053 DDEOYUSNKAQLPZ-UHFFFAOYSA-N 341.418 3.672 0 50 EHAA Cc1nc([C@@H]2CCCN2Cc2nnc(-c3ccc(F)cc3)o2)[nH]c1C 2325771757 NYWQJOBQZKUBOI-HNNXBMFYSA-N 341.390 3.553 0 50 EHAA c1ccc(CN2CC[C@@]3(CCN(c4nccc5ncccc45)C3)C2)cc1 2325856277 ITZMFZDQBYRWNA-JOCHJYFZSA-N 344.462 3.732 0 50 EHAA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccnc1 91805 NBOUOHAOSVOZLC-UHFFFAOYSA-N 338.388 3.849 0 50 EHAA COc1ccc(-c2nnc3sc(-c4ccc(F)cc4)nn23)cc1 407312 QYBWYYDCMDUJAV-UHFFFAOYSA-N 326.356 3.668 0 50 EHAA O=C(CSCc1ccc(Cl)cc1)Nc1cccc(C(=O)O)c1 450530 XVYSIDQXEWKIKP-UHFFFAOYSA-N 335.812 3.910 0 50 EHAA Cc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCCC1 462948 VYKOHUKSEGQDIZ-UHFFFAOYSA-N 339.464 3.722 0 50 EHAA CCOC(=O)c1c(C)nn(-c2ncc(C(F)(F)F)cc2Cl)c1C 1390092 LRZKCUNDFSHUNW-UHFFFAOYSA-N 347.724 3.733 0 50 EHAA CC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)c1ccccc1 2769627 NWOXBWXLABRUES-UHFFFAOYSA-N 331.375 3.907 0 50 EHAA COc1ccccc1-c1cc(C(=O)N2CCc3ccccc3C2)no1 3908044 JEHKGBFAYPWWPC-UHFFFAOYSA-N 334.375 3.549 0 50 EHAA Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCC(C)C)cc1 5012065 XJFHNHLXUIEMKN-BOPFTXTBSA-N 342.464 3.600 0 50 EHAA CC(C)Oc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 5094290 GKSKFGIJEPIKPK-UHFFFAOYSA-N 342.414 3.575 0 50 EHAA CCCCC(=O)Nc1ccc(N2CCN(C(=O)CC(C)C)CC2)cc1 6697555 OBWMXSUIYLLYHC-UHFFFAOYSA-N 345.487 3.510 0 50 EHAA O=C([C@@H]1CC(Cc2ccccc2)=NO1)N1CCC[C@H](c2ccccc2)C1 12217832 RYRVGSJWCZRSTE-FPOVZHCZSA-N 348.446 3.780 0 50 EHAA CCCO[C@@H]1CCCN(Cc2cn(C)nc2-c2ccccc2F)C1 12705521 GCRXGEMRISJXQX-MRXNPFEDSA-N 331.435 3.617 0 50 EHAA COC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 14948758 REOCHOTYKSLWRJ-UHFFFAOYSA-N 348.830 3.688 0 50 EHAA CCCN(C)C(=O)c1cc(-c2cnn(CCC)c2)nc2ccccc12 19144600 ZEYUGKVNBLDKHQ-UHFFFAOYSA-N 336.439 3.990 0 50 EHAA CCc1cn[nH]c1C1CCN(C(=O)c2cc(C)c(C)cc2C)CC1 67975307 SEWVNZPFFVOORS-UHFFFAOYSA-N 325.456 3.917 0 50 EHAA CCCCCC(=O)N1CCC(=O)N(Cc2ccccc2)[C@H](CC)C1 71524125 CNQREPZEDDJQHJ-GOSISDBHSA-N 330.472 3.606 0 50 EHAA CN(Cc1cccnc1Cl)Cc1c(Cl)nc2sccn12 71776512 QZWUJKOKVWQRQQ-UHFFFAOYSA-N 327.240 3.730 0 50 EHAA C[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccc(O)c(F)c1 72427012 XUGLXRZXFZCIAE-CYBMUJFWSA-N 345.414 3.726 0 50 EHAA Cc1cc(N2CCC[C@H](Cn3ccnc3)C2)nc(-c2ccccc2)n1 77356707 LDAZCXIBNAZZKN-QGZVFWFLSA-N 333.439 3.565 0 50 EHAA O=C(c1cnn2ccccc12)N1CCC(Cc2ccccc2F)CC1 82096633 RSWRLYWXMZLTJU-UHFFFAOYSA-N 337.398 3.568 0 50 EHAA CSCc1ccc(N2CCC(c3nccn3CC3CC3)CC2)nc1 82098615 QTASKCCLZPFLAQ-UHFFFAOYSA-N 342.512 3.935 0 50 EHAA CCCn1ncc(C(=O)N2CCC(c3ccccc3OC)CC2)c1C 91616887 PABIRJZUSDNQQU-UHFFFAOYSA-N 341.455 3.630 0 50 EHAA Cc1cccnc1[C@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)C1CC1 91707687 VAVAUBAAKOWQMU-HXUWFJFHSA-N 337.398 3.612 0 50 EHAA CN(C)C(=O)CC[C@H]1CCCN(c2ccc3cc(Cl)ccc3n2)C1 96161357 BLJREKURMAXGOR-CQSZACIVSA-N 345.874 3.973 0 50 EHAA CN(C)c1nc(Cl)c(CN2CC[C@H](c3ccc(F)cc3)C2)s1 97819511 UNMFCMPJKDGLHW-LBPRGKRZSA-N 339.867 3.991 0 50 EHAA CC(C)(C)OC(=O)N[C@H]1CCc2ccc(Br)cc2C1 113889322 RPHJOLJRVVBNOT-ZDUSSCGKSA-N 326.234 3.831 0 50 EHAA CSc1ccc(CC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)cc1 116631562 NWBIPWDRFZQFBV-UHFFFAOYSA-N 338.436 3.683 0 50 EHAA C[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H](C)N1C(=O)OC(C)(C)C 117871884 BQDWTKGOXJXCIY-GASCZTMLSA-N 348.443 3.653 0 50 EHAA Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CCc2c(C)n[nH]c2C)C1 120981731 MOXSRLOJGMQTEU-PBHICJAKSA-N 325.456 3.672 0 50 EHAA CCc1ccc([C@@H]2COCCN2C(=O)c2coc3ccccc23)o1 133897269 MBOOABCLDLCLOO-INIZCTEOSA-N 325.364 3.802 0 50 EHAA CC1(C)CCCC[C@H]1CC(=O)NCc1nnc(C2CC2)n1C1CC1 135824638 WGYBBWLWKYUGFW-AWEZNQCLSA-N 330.476 3.713 0 50 EHAA C[C@H]1N=C(c2ccccc2F)c2cc(Br)ccc2NC1=O 143934988 QEFZCKUXGLDPPT-SECBINFHSA-N 347.187 3.766 0 50 EHAA CC1(C)C[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)c2ccccc21 158236758 WWKKBYOVBLBCRH-GOSISDBHSA-N 332.403 3.681 0 50 EHAA Fc1ccc(COC2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 181533120 CAXJHAFAGDOEGX-UHFFFAOYSA-N 341.426 3.942 0 50 EHAA Cc1ccccc1-c1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(C)C3)cc1 211977299 NJOHJDPVEMKIBN-PXNSSMCTSA-N 334.463 3.828 0 50 EHAA C[C@@H]1CC[C@H](NCC2(c3ccc(Cl)cc3)CC2)[C@H](n2cncn2)C1 225407205 KPOIHDIQELUXBK-FHLIZLRMSA-N 344.890 3.983 0 50 EHAA Cc1ccc2nc3c(c(C(=O)Nc4cc(C)n(C)n4)c2c1)CCCC3 225496308 FFXLTBLADYEWOH-UHFFFAOYSA-N 334.423 3.716 0 50 EHAA C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCC[C@@H](O)C3)c2)C1 229179772 AFHRJTVTGRRWRP-LZQZEXGQSA-N 346.471 3.771 0 50 EHAA O=C(Nc1ccc(OC2CCCC2)cc1)N[C@H]1CCN2CCCC[C@@H]12 229746900 ICYYEJIQJICFTO-OALUTQOASA-N 343.471 3.756 0 50 EHAA Cc1ccccc1-n1cc(CN(C)Cc2cncn2CC(C)C)cn1 244741997 OAHLSLORAIVVJF-UHFFFAOYSA-N 337.471 3.665 0 50 EHAA CCSc1nnc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 245284283 RGQPHQPHNSNJQH-HBNTYKKESA-N 345.559 3.683 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ccc(Br)s1 250101826 GZQMLOCPMLFHIA-JLLWLGSASA-N 344.274 3.728 0 50 EHAA CCc1cccc(CN2CCC(NC(=O)C3CCCCC3)CC2)c1 252539836 OMJMRPQMHZRKOH-UHFFFAOYSA-N 328.500 3.910 0 50 EHAA CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)c1csc(-c2cccs2)n1 253395756 QTYGXWMBTNNTQH-IJLUTSLNSA-N 348.493 3.585 0 50 EHAA CSc1nc2ncnc(Oc3ccc(NC(C)=O)cc3)c2s1 253420052 JAJBBIBUMLUZTL-UHFFFAOYSA-N 332.410 3.559 0 50 EHAA CC(=O)N1CC[C@@H](Nc2ccc(Cl)cn2)c2ccc(F)cc2C1 253427490 AJEVQDKZXWRLEA-MRXNPFEDSA-N 333.794 3.780 0 50 EHAA CC(C)(C)c1nnc2ccc(N3CC[C@@H](c4cccc(F)c4)C3)nn12 274801531 KECLXTOICPQSAO-CQSZACIVSA-N 339.418 3.555 0 50 EHAA Cc1ccc([C@H](C)N(C)C(=O)c2ccc3nc(O)n(C)c3c2)c(C)c1 332635898 XMWORIUCGFDNJM-AWEZNQCLSA-N 337.423 3.729 0 50 EHAA Cc1ccc(-c2ccc(C(=O)N(C)Cc3c[nH]nc3C)cc2)c(C)n1 426737354 HAOBOYDYFMQVOL-UHFFFAOYSA-N 334.423 3.669 0 50 EHAA O=C(N[C@H]1CCCC(F)(F)C1)N1CCC[C@H]1COc1ccccc1 458550188 DFHLDBXFUQREGM-GJZGRUSLSA-N 338.398 3.817 0 50 EHAA CSc1ncc(C(=O)O)c(-c2ccc([C@H](C)N3CCCC3)cc2)n1 534636227 ZFFPRNJVQQLPDV-LBPRGKRZSA-N 343.452 3.721 0 50 EHAA O=C(NCCc1ccc(C2CCCCC2)cc1)[C@@H]1CCCNCC1 662849517 FMPANACYSZYUCY-HXUWFJFHSA-N 328.500 3.783 0 50 EHAA CC1(C)C[C@H](NC(=O)Nc2cccc(Oc3ccccc3)n2)CCO1 934429623 SPPZDGOWKVUOJV-CQSZACIVSA-N 341.411 3.953 0 50 EHAA COC[C@@H](C)N(Cc1cccc(F)c1)C(=O)c1ccc2cc[nH]c2c1 952966708 DRXJYAZMLTUIFA-CQSZACIVSA-N 340.398 3.984 0 50 EHAA CC1=C(c2ccccc2)[C@@H]1C(=O)Nc1ccccc1CN1CCOCC1 952971884 LOBWIRDPFZKXAF-OAQYLSRUSA-N 348.446 3.561 0 50 EHAA CN(CC1=Cc2cc(Cl)ccc2OC1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529162106 VXNWNFIITLPRGU-MHGIMSBQSA-N 333.859 3.597 0 50 EHAA CSCC[C@@H](C)N1CCCN(C(=O)c2cccc(C)c2C)CC1 1772818199 PCCGDYYKNPOPGM-MRXNPFEDSA-N 334.529 3.593 0 50 EHAA Cn1nc(-c2nc(C3CCCC3)nn2CC(F)(F)F)cc1C1CC1 1857678843 SMWISXQQXQBSTI-UHFFFAOYSA-N 339.365 3.776 0 50 EHAA CCOC(=O)NCC(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1 1875256202 IRXJRAKKYXNMIF-UHFFFAOYSA-N 347.440 3.618 0 50 EHAA O[C@@H](Cc1cccc(F)c1)CN1CCC[C@H]1c1ccc(F)cc1F 1875355843 BWUIUTNUDLWYGK-LPHOPBHVSA-N 335.369 3.844 0 50 EHAA CSCc1nc([C@H]2CCN3CCC[C@H]3C2)n(-c2cccc(F)c2)n1 2325848316 DHVDYTFWDAIERW-ZFWWWQNUSA-N 346.475 3.611 0 50 EHAA CC[C@]1(O)CCC[C@H]2CN(c3nnc(-c4ccccc4)s3)C[C@H]21 2356157645 PGZQXLDXVUUJJM-DAYGRLMNSA-N 329.469 3.583 0 50 EHAA O=C(COc1ccc(Br)cc1)Oc1ccc(F)cc1 302424 YATFZZQRGYQTLP-UHFFFAOYSA-N 325.133 3.573 0 50 EHAA COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)cc1OC 438906 YEXRJVFMZHJYFL-UHFFFAOYSA-N 328.393 3.874 0 50 EHAA Cc1cc(OCn2ccc(C(=O)NC3CCCCC3)n2)ccc1Cl 2795742 FUOPMGSSKWDXFM-UHFFFAOYSA-N 347.846 3.944 0 50 EHAA N=C1NC(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S1 4964836 ARZQMKXRMVYNRG-KPKJPENVSA-N 349.209 3.848 0 50 EHAA Cc1cc2c(cc1-c1c(C)oc3c(C)c(O)ccc3c1=O)OCCO2 6556632 WEPODFBTOANJNL-UHFFFAOYSA-N 338.359 3.862 0 50 EHAA biogenic CCSc1ccccc1C(=O)NCc1nc(-c2ccccc2)no1 6697647 JRFNMPMMJNHUKH-UHFFFAOYSA-N 339.420 3.779 0 50 EHAA O=C(Cc1ccccc1)NCc1ccc(-c2nc3ncccc3o2)cc1 6710011 ZQMQHILGNZNSJO-UHFFFAOYSA-N 343.386 3.749 0 50 EHAA O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1 7389410 YWSWVJHPXIIMSD-UHFFFAOYSA-N 329.359 3.820 0 50 EHAA CC(C)/C=C/C(=O)N1CCC(CO)(Cc2ccccc2Cl)CC1 12056351 WURIMAJTUNOTNQ-BQYQJAHWSA-N 335.875 3.696 0 50 EHAA Cc1ccccc1CN1C[C@@H]2C[C@@H](c3ccco3)N3CCC[C@@]23C1=O 12092354 QKLVTVHZGHVAST-WFXMLNOXSA-N 336.435 3.526 0 50 EHAA CCCO[C@@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 12387347 MMEIZDJTIZOGKB-OAHLLOKOSA-N 335.835 3.781 0 50 EHAA O=C(Nc1ccc2nccnc2c1)c1csc(Cc2ccccc2)n1 20202694 HSTBTZBFVIZCNO-UHFFFAOYSA-N 346.415 3.929 0 50 EHAA CCn1ccc(-c2cccc(-c3ccc(CC(=O)N(C)C)cc3)c2)n1 20234687 UWUCYRRJYUODCC-UHFFFAOYSA-N 333.435 3.868 0 50 EHAA O=C(NCc1ccc(Cl)s1)Nc1nnc(C2CCC2)s1 23505671 SWOKRKCFFCEOQC-UHFFFAOYSA-N 328.850 3.842 0 50 EHAA CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(OC)c1 33270595 UWTMUAZSZAKOHX-HNNXBMFYSA-N 329.400 3.923 0 50 EHAA C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 38611210 SCPADBBISMMJAW-MUHHAPIYSA-N 336.516 3.502 0 50 EHAA CCc1noc(C)c1C(=O)Nc1cc(C)nn1Cc1cccc(C)c1 55253618 QBIUSUVXLMEDGA-UHFFFAOYSA-N 338.411 3.659 0 50 EHAA Cc1ccc2nc(-c3cnc(C4CC4)nc3)cc(C(=O)N(C)C)c2c1 63868441 LBERLMGGERPTCA-UHFFFAOYSA-N 332.407 3.579 0 50 EHAA O[C@@H](c1ccc(C(F)(F)F)cc1)c1nc(CCc2ccccc2)n[nH]1 65375375 YPAKZKANCHMFTA-INIZCTEOSA-N 347.340 3.690 0 50 EHAA COc1ccc(CN2CCCC2)cc1Oc1ccc2c(c1)OCCO2 67869020 HJAUBVNDKXVKJY-UHFFFAOYSA-N 341.407 3.855 0 50 EHAA Cc1ccc2nc([C@H]3CCCN3C(=O)c3n[nH]c4ccccc34)[nH]c2c1 72049011 GFZUXVZUMYGRIW-QGZVFWFLSA-N 345.406 3.725 0 50 EHAA c1ccc(-c2ncc(CN3CCN(c4nccs4)CC3)s2)cc1 73276501 VBFSPQCOBASNBG-UHFFFAOYSA-N 342.493 3.589 0 50 EHAA CC(C)c1nc(CN(C)C(=O)c2c[nH]nc2-c2cccs2)cs1 77438225 JIKFFUPZTVEUGY-UHFFFAOYSA-N 346.481 3.990 0 50 EHAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCN1CCCCCC1 91665603 ZAWMEEGVQOPQTQ-UHFFFAOYSA-N 341.499 3.628 0 50 EHAA Cc1cccc(-n2nc(C)nc2[C@@H](C)Oc2ccc(F)cc2F)n1 97655384 BRBNGNAXBAQWGA-LLVKDONJSA-N 330.338 3.697 0 50 EHAA O=S(=O)(NC1(c2nccs2)CCCC1)c1ccc(Cl)cc1 116366936 FMZDVAJVESZNGL-UHFFFAOYSA-N 342.873 3.544 0 50 EHAA CCSc1cccc(NC(=O)N2CC[C@@H](CN3CCCC3)C2)c1 170591714 RMMOZHBHVYIDDS-HNNXBMFYSA-N 333.501 3.748 0 50 EHAA Cc1nc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cs1 182847660 QMWVFNCLACMEHT-LBPRGKRZSA-N 330.379 3.504 0 50 EHAA O=C(O)c1ccc(C(=O)Nc2cccc(Oc3ccccn3)c2)cc1 191589228 NDDPGIIBPJCNSM-UHFFFAOYSA-N 334.331 3.824 0 50 EHAA COc1cccc(-c2nnc(NCc3ccc(F)c(F)c3)o2)c1OC 195562487 BQBWISNWZZFARK-UHFFFAOYSA-N 347.321 3.644 0 50 EHAA Cc1cc(N[C@@H]2CCOC[C@H]2OCc2ccccn2)nc2ccccc12 222315721 WOEXSPCUFPTEKH-WOJBJXKFSA-N 349.434 3.724 0 50 EHAA CC[C@H](C)c1nc([C@H](C)NC(=O)CCc2ccc(Cl)s2)n[nH]1 225415485 DGIIYZPOYXASJJ-UWVGGRQHSA-N 340.880 3.843 0 50 EHAA CC(C)C(=O)c1cnccc1NC(=O)c1csc(C(F)(F)F)n1 239762553 CMBLHFVBMZZFDJ-UHFFFAOYSA-N 343.330 3.648 0 50 EHAA COCCn1ccc2c(OCC(=O)NC3CCCCCC3)cccc21 263587796 LHPIGVWBTAXNQL-UHFFFAOYSA-N 344.455 3.506 0 50 EHAA Cn1cc2c(n1)CCC[C@H]2NC(=O)C(c1ccccc1)c1ccccc1 282576616 DGTXIWDXGAHYJL-LJQANCHMSA-N 345.446 3.746 0 50 EHAA O=C(NC1CCC(O)(c2ccccc2)CC1)c1cc(O)ccc1Cl 290346038 CWWWZNHXTFQKEP-UHFFFAOYSA-N 345.826 3.606 0 50 EHAA C[C@H](CC(=O)N1C[C@@H](O)C[C@H]1c1ccccc1)c1ccc(F)cc1 413941686 NWYNMENJXVRHQD-CCKFTAQKSA-N 327.399 3.654 0 50 EHAA Fc1cccc(F)c1-c1ccc(N2CCC(c3ncc[nH]3)CC2)nn1 892152674 VYMUBUVCGNOAMN-UHFFFAOYSA-N 341.365 3.529 0 50 EHAA O=C(O)c1cc2cc(CN3CCCC[C@H]([C@@H]4CCOC4)C3)ccc2o1 903962930 UPPBYEUWJAADLA-JKSUJKDBSA-N 343.423 3.770 0 50 EHAA C[C@@H](c1cnccn1)c1noc([C@@H]2C[C@H]2c2ccc(F)cc2F)n1 904131810 NWLWTMJYKHVUIK-TVYUQYBPSA-N 328.322 3.561 0 50 EHAA CCc1nccn1C[C@H](C)NCCc1cccc(C(F)(F)F)c1 1506415801 AEYCBSSJNWQUPF-ZDUSSCGKSA-N 325.378 3.685 0 50 EHAA O=C(c1cccc(OCCCCN2CCCCC2)c1)C1CCOCC1 1772818351 QVPXXZUQYTYKLN-UHFFFAOYSA-N 345.483 3.941 0 50 EHAA O[C@@H]1C[C@@H]2CN(C[C@H]3CC3(c3ccccc3)c3ccccc3)C[C@@H]2C1 1857688368 FSEZGYLIWMMKSW-GMQQQROESA-N 333.475 3.695 0 50 EHAA CCN(C)C(=O)C[C@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857723740 UCODLEHJUJWVQO-GFCCVEGCSA-N 335.835 3.566 0 50 EHAA CCn1c(C(=O)NC23CCC(C(=O)O)(CC2)CC3)cc2ccccc21 1875304266 FTIIAAIWKJFWNV-UHFFFAOYSA-N 340.423 3.569 0 50 EHAA Oc1cccc([C@@H]2CCCN(c3nc(Cl)nc4c3CCC4)C2)c1F 1875338600 DIMXOFMZOZEZAK-LLVKDONJSA-N 347.821 3.847 0 50 EHAA COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 29424 MBDFSFSHHDHDML-UHFFFAOYSA-N 331.315 3.515 0 50 EHAA Cc1cc(Br)ccc1OCC(=O)NC1CCCCC1 37600 WCUAMKLVMVMFQF-UHFFFAOYSA-N 326.234 3.585 0 50 EHAA COC(=O)c1cc(Br)ccc1NC(=O)c1cccc(C)c1 140433 XFKOOJYARJXANJ-UHFFFAOYSA-N 348.196 3.796 0 50 EHAA CSCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccccc1)C2 2469451 LQMNRHKTKLVRCJ-AWEZNQCLSA-N 343.448 3.756 0 50 EHAA COCCCNCCOc1ccc2ccccc2c1Br 2510389 GSJWGCDVVCKFOY-UHFFFAOYSA-N 338.245 3.607 0 50 EHAA Cc1nnc(SCCOc2ccccc2F)n1-c1ccccc1 2848583 QBFMCADSUGQGCU-UHFFFAOYSA-N 329.400 3.886 0 50 EHAA Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccco4)on3)n2)cc1 3908446 FTKLCOWCUBPRKJ-UHFFFAOYSA-N 348.362 3.740 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1 4833473 YGYKSFRGHHDVHP-CYBMUJFWSA-N 343.210 3.573 0 50 EHAA CC(=O)Nc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1 4856441 IDGDXIAFDGWXKI-CYBMUJFWSA-N 328.437 3.905 0 50 EHAA Cc1ccccc1C(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2 4949880 OVPJOYALPBOONK-UHFFFAOYSA-N 328.481 3.568 0 50 EHAA COc1ccc(-c2ccc(CCC(=O)NCc3ccco3)o2)cc1 9458791 JQJXEZYQQYSBDS-UHFFFAOYSA-N 325.364 3.797 0 50 EHAA biogenic OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2ccc(F)cc2F)C1 44919221 XGEXOPMPFOEQNC-CYBMUJFWSA-N 326.306 3.669 0 50 EHAA CCN(CC1CCOCC1)C(=O)c1cccc(-c2ccc(O)cc2)c1 55168830 WVHUHPXTLOOFAM-UHFFFAOYSA-N 339.435 3.948 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1ncc2ccccc2c1=O 65362810 NUGUBPMSJVLCJX-GFCCVEGCSA-N 341.798 3.558 0 50 EHAA O[C@@H](c1cccs1)C1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 67560541 AXQLHADFIWSYQR-GOSISDBHSA-N 343.452 3.677 0 50 EHAA Cc1cc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cc(C)n1 72165700 XTNVQWVXIMOUNY-BHDDXSALSA-N 333.479 3.765 0 50 EHAA COc1cc2c(cc1C(=O)N1CCCC[C@@H]1c1ccccn1)CCC2 72419399 PYVJEFAZDGLLLP-LJQANCHMSA-N 336.435 3.946 0 50 EHAA Cc1cnccc1CN(C)c1cc(-c2ccccc2)nc2ccnn12 72431396 IWWCYJGEPSVYBT-UHFFFAOYSA-N 329.407 3.736 0 50 EHAA Cc1cc(N2CCCN(c3ccc(-c4ccccc4)nn3)CC2)ccn1 77407990 MEYJEJMEARGQIB-UHFFFAOYSA-N 345.450 3.564 0 50 EHAA CCOc1ccc(Cl)cc1CN(C)C(=O)c1cnn(C(C)C)c1 77521100 DCEIMTDAOHTFNV-UHFFFAOYSA-N 335.835 3.788 0 50 EHAA Cc1cc(C(=O)N(C)CCC[C@H]2CCCO2)c2ccc(F)cc2n1 82092028 YBNBOFICSZUDIT-HNNXBMFYSA-N 330.403 3.714 0 50 EHAA CSc1ccc(-c2nc(CN3[C@H]4CC[C@@H]3C[C@H](O)C4)c(C)o2)cc1 102648853 MZESWXMHTVJIMJ-ZSHCYNCHSA-N 344.480 3.860 0 50 EHAA Cc1cc(Cl)ncc1NC(=O)c1cn(-c2ccccc2Cl)nn1 135948568 VCLZESKBHFYRLY-UHFFFAOYSA-N 348.193 3.530 0 50 EHAA C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(NC(=O)C2CC2)CC1 170871380 JQNPENBAWFIKOB-GFCCVEGCSA-N 340.389 3.757 0 50 EHAA Cc1ccc(C[C@H](C)NC(=O)Nc2cccc3c2OCCO3)s1 172471237 YRWGRXXMKMZPIE-NSHDSACASA-N 332.425 3.580 0 50 EHAA C[C@H]1CCCN1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 173102388 ULALYNTYVOHXSS-LBPRGKRZSA-N 330.457 3.880 0 50 EHAA Cc1c(C(=O)n2cccc/c2=N\c2ccccc2)oc2c1C(=O)CCC2 181394710 VRCNVIVUJROZQI-RELWKKBWSA-N 346.386 3.829 0 50 EHAA COc1ccc2c(c1)[C@H](NCc1ccc(C(C)(C)O)cc1)CCCO2 186600891 AAPCNHPTNAFNAG-LJQANCHMSA-N 341.451 3.926 0 50 EHAA C[C@H](N[C@H](C)c1ccc(Oc2ccccc2)c(F)c1)c1nnnn1C 189784319 OXRLJFKKIQXDFX-OLZOCXBDSA-N 341.390 3.553 0 50 EHAA O=C(c1ccncc1C(F)(F)F)N1CCC[C@@H](C(F)(F)F)C1 193053052 ORBQXHIWNLZBPS-MRVPVSSYSA-N 326.240 3.515 0 50 EHAA Cc1c(C(=O)N(C)[C@@H](C)c2ccccn2)[nH]c2c1C(=O)CC(C)(C)C2 195101778 WMRMNJCWVWROQZ-ZDUSSCGKSA-N 339.439 3.706 0 50 EHAA COC1(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CCC(C)CC1 225429620 XJQVBKPIBBJDTR-UWCWSIQASA-N 337.410 3.780 0 50 EHAA Cc1cnc(N[C@H]2C[C@H](C)O[C@H](C)C2)nc1NC1C[C@@H](C)O[C@H](C)C1 252486782 NEQPYEBRXHURRH-WVCIDPQESA-N 348.491 3.521 0 50 EHAA O=C(N[C@@H]1CCN2CCC[C@H]2C1)N[C@@H](c1ccc(F)cc1)C1CCC1 252512722 VBKCPDOWRYBTTB-CEXWTWQISA-N 345.462 3.593 0 50 EHAA CN(CCO)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 303698337 NMUCQIRENODILK-UHFFFAOYSA-N 328.456 3.610 0 50 EHAA COc1ccccc1-c1ccc(-c2ccc(N3CCOCC3)cc2)nn1 426492906 OPBDAMLKHSSSTM-UHFFFAOYSA-N 347.418 3.656 0 50 EHAA Cc1cc(CN(C)C(=O)c2cccc(-c3cc(C)nc(C)c3)c2)on1 426658313 IRAIGYPQZHIQMF-UHFFFAOYSA-N 335.407 3.934 0 50 EHAA Cc1c(NC(=O)C[C@@H]2CCc3ccccc32)cccc1-c1nncn1C 827807458 YQLIGUFVCAJVJJ-INIZCTEOSA-N 346.434 3.849 0 50 EHAA C[C@H](C(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1 934360929 OABGKDNRHICCLK-OUCADQQQSA-N 329.362 3.981 0 50 EHAA Fc1ccccc1CSCCCNC1CSCCSC1 1506423390 VVMZVXGIIXSRCI-UHFFFAOYSA-N 331.547 3.887 0 50 EHAA CC[C@@H](C)N(CCS(=O)(=O)c1ccccc1)Cc1ccsc1 1529192157 PMWKQYOGPQKVTF-OAHLLOKOSA-N 337.510 3.823 0 50 EHAA OC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1nc2ccccc2[nH]1 1857673578 OSQOPEBTBISICS-WEYGHZABSA-N 347.462 3.521 0 50 EHAA O=C(OCc1ccccc1C(F)(F)F)[C@]12OCCC[C@@H]1C2(F)F 1875267230 ZCMNLQPDEYGXPG-WCQYABFASA-N 336.256 3.563 0 50 EHAA O=C(O)c1csc([C@@H]2CCCN(Cc3cccc4cc[nH]c34)C2)n1 1875283145 HQNSRPRUMINRCB-CQSZACIVSA-N 341.436 3.702 0 50 EHAA O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@H]2C1(F)F 1875289167 VXOSGPSILPGWTI-JTDRMQGGSA-N 345.311 3.859 0 50 EHAA FC1(F)C[C@@]12C[C@H]2N=c1nc(-c2cc(Cl)cc(Cl)c2)[nH]o1 1875332495 VLAXPXQTKBRAAX-BXKDBHETSA-N 332.137 3.675 0 50 EHAA CC(C)(C(=O)Nc1ccc(Oc2ccncn2)cc1)c1cccc(O)c1 1875339071 VIAOCIFUNUAJGH-UHFFFAOYSA-N 349.390 3.891 0 50 EHAA O=C1NCc2cccc(C(=O)N3CCC[C@H]3c3cccc(Cl)c3)c21 2325887340 HPXCDSYXSAGJOA-INIZCTEOSA-N 340.810 3.561 0 50 EHAA NC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 368862 SPUFVVWENJCCRU-UHFFFAOYSA-N 330.796 3.906 0 50 EHAA O=C(/C=C/c1ccc(Br)cc1)NCc1ccc(F)cc1 461660 LJLUCTPZUOUVTH-BJMVGYQFSA-N 334.188 3.918 0 50 EHAA Cc1ccc(OC(F)F)c(NC(=O)Nc2ccc3c(c2)OCO3)c1 612089 QIAJMGPNWBVLPL-UHFFFAOYSA-N 336.294 3.969 0 50 EHAA CC[C@H](NC(=O)c1nn2cccnc2c1Cl)c1ccc(C)cc1 2793421 OIMCSBLMCRWUMQ-ZDUSSCGKSA-N 328.803 3.572 0 50 EHAA CC(=O)c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F 3128525 DYFTYCDJLYVHJF-UHFFFAOYSA-N 343.326 3.709 0 50 EHAA CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)C1CCCCC1 4513065 OQCHYKSCHYXFFM-UHFFFAOYSA-N 343.427 3.674 0 50 EHAA O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C2CCCCC2)CC1 5152305 KZALNWPYGRORKK-UHFFFAOYSA-N 345.531 3.615 0 50 EHAA O=C(Nc1ccccc1)N1CCN(c2nsc3ccccc23)CC1 6702769 XEESFFVLWVEUCD-UHFFFAOYSA-N 338.436 3.650 0 50 EHAA Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2F)CC1 9341392 MKJHZXQDFSPHPL-UHFFFAOYSA-N 340.398 3.625 0 50 EHAA CC(C)(C)NCc1ccc(OCc2ccc3c(c2)OCCO3)cc1 12381490 YMFAQPKPDMLVLA-UHFFFAOYSA-N 327.424 3.925 0 50 EHAA COCC1CCN(Cc2nc(-c3ccc(OC)c(C)c3)oc2C)CC1 12432042 ODIRCTZNYMXNOI-UHFFFAOYSA-N 344.455 3.825 0 50 EHAA CC(C)(C)[C@H]1CCc2sc(C(=O)N[C@@H]3CCSC3=O)cc2C1 17070953 SKUMPBTUKDSEIQ-NWDGAFQWSA-N 337.510 3.661 0 50 EHAA O=C(Nc1cc(F)c(F)c(F)c1)c1snnc1-c1ccccc1 36360319 YQTYHVZMKDHSHV-UHFFFAOYSA-N 335.310 3.875 0 50 EHAA Cc1cc(N[C@H](C)c2cn3ccsc3n2)nc(-c2cccnc2)n1 65494829 PURREZRSZUQWJP-GFCCVEGCSA-N 336.424 3.729 0 50 EHAA COc1cc(OC)c([C@@H]2CC(O)=Nc3c2cnn3C(C)C)cc1OC 71280356 HHZYNGFMKZVQDQ-NSHDSACASA-N 345.399 3.613 0 50 EHAA Cn1nc(CN2CCC[C@H]2c2ccccn2)c2c(Cl)cccc21 72154882 HVLLLQASJPSXPO-INIZCTEOSA-N 326.831 3.959 0 50 EHAA NC(=O)CC[C@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 72158905 JRBIOCDECAORMW-OAHLLOKOSA-N 328.481 3.893 0 50 EHAA Cc1nc(C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)c(C)o1 77438393 VUHLTKAJPLOKKQ-UHFFFAOYSA-N 329.787 3.625 0 50 EHAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CCc1ccsc1 82115939 JKVUSPKXMCTKHJ-QGZVFWFLSA-N 328.481 3.666 0 50 EHAA CC[C@@H](NC(=O)c1ccc2nc(C)cn2c1)c1nc(C)c(C)s1 82157243 DDTFARHXCVQWKO-CQSZACIVSA-N 328.441 3.597 0 50 EHAA COCCC[C@]1(C(=O)O)CCCN(Cc2ccc(Cl)c(F)c2)C1 91526108 NLJMQPQDZPBTDK-QGZVFWFLSA-N 343.826 3.573 0 50 EHAA CC1(C)C[C@@H](C(=O)NCCSCc2cccc(Cl)c2)CCO1 97813851 RTKFHQFKFZCDKU-AWEZNQCLSA-N 341.904 3.895 0 50 EHAA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OCc3ccccc3)cc1)[C@H]1C=C[C@H]2C1 100365194 KRSKQKFYTQFWTJ-FVCZOJIISA-N 345.398 3.577 0 50 EHAA COc1c(NC(=O)c2ccc(-c3ccccc3F)s2)c(C)nn1C 115121165 JSXCKNMYADMUSA-UHFFFAOYSA-N 345.399 3.857 0 50 EHAA Cc1cnc(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)nc1 132369375 LJMLERSFWHABJF-UHFFFAOYSA-N 340.427 3.891 0 50 EHAA Cc1nc(C2(NC(=O)C[C@H](C)c3ccc(F)cc3F)CCCC2)no1 159305013 GZWGRXWHYFXTMG-NSHDSACASA-N 349.381 3.736 0 50 EHAA Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 170602474 CLYIUIYUELBFTC-CYBMUJFWSA-N 338.473 3.576 0 50 EHAA O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[C@]2(CCOC2)C1 176276105 QALFRDXNNBIOTO-HNNXBMFYSA-N 346.761 3.586 0 50 EHAA Cc1cccc(C(=O)NCc2ccc([C@@H](C)O)cc2)c1Br 179372830 BPAUBYKETYAUIF-GFCCVEGCSA-N 348.240 3.741 0 50 EHAA CCCNc1ncc(CN2CCC[C@H]2c2cc(C(C)C)on2)cn1 216336116 ULHJDKMNQCNOMN-INIZCTEOSA-N 329.448 3.747 0 50 EHAA CC[C@H](NC(=O)c1ccc(-c2ccccc2OC)cc1)C1CC(O)C1 222395826 NMUAVCMTQBYRMM-TVPLGVNVSA-N 339.435 3.642 0 50 EHAA Cc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)no1 225443143 ISMRGYROPUFQDH-UHFFFAOYSA-N 341.603 3.744 0 50 EHAA Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N[C@H](C)c2ccncc2)cc1 252518094 ZMXNFIXCOCZXLE-LZQZEXGQSA-N 339.439 3.671 0 50 EHAA O=C(CCn1ccc2ccccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 253396053 KEHBWXPCFDVISV-SXLOBPIMSA-N 340.467 3.574 0 50 EHAA O=C(C1CCC(O)CC1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 253421284 UDOQBBIVHHWYMN-BBBYJDLNSA-N 341.373 3.572 0 50 EHAA C[C@@H]1CN(Cc2ccccc2)CCCN1Cc1csc(Cl)n1 253428076 HTKXMVKSJRQFFA-CQSZACIVSA-N 335.904 3.893 0 50 EHAA O=C(Nc1ccc2c(c1)OCCO2)N1CCCC[C@@H]1c1cccnc1 299771963 YGLJNRMANZAYDD-MRXNPFEDSA-N 339.395 3.612 0 50 EHAA CCCSc1ccccc1NC(=O)N[C@@H](C)c1nnc(N)s1 299802763 PCYLSFWWIJZOSW-VIFPVBQESA-N 337.474 3.505 0 50 EHAA Oc1cccc(CN2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c1 353541189 HIEXTJDCNGLSIM-JOCHJYFZSA-N 336.479 3.880 0 50 EHAA c1ccc(-c2nc(CN[C@H]3CCc4ccccc4OC3)cs2)nc1 374535523 GXQWDADRWRQILH-HNNXBMFYSA-N 337.448 3.689 0 50 EHAA Oc1ccc(-c2noc([C@H]3C[C@@H]3c3c(F)cccc3Cl)n2)cn1 445438760 KWQHDTALBXHELP-UWVGGRQHSA-N 331.734 3.901 0 50 EHAA CN(Cc1ccccn1)C(=O)c1cccc(-c2cnn(CC3CC3)c2)c1 534639541 YTENBBUUFIOIPR-UHFFFAOYSA-N 346.434 3.627 0 50 EHAA CC[C@H](CNC(=O)N1CCC(Sc2cccc(C)c2)CC1)N(C)C 534649846 MOAKBJONYYXUPM-MRXNPFEDSA-N 349.544 3.601 0 50 EHAA CCCC[C@H](NC(=O)CN(C)Cc1ccc(F)cc1)c1cccnc1 822830906 JZVFFWCRRJBNHL-IBGZPJMESA-N 343.446 3.700 0 50 EHAA COC(=O)C(C)(C)CN(CC(C)C)C(=O)c1oc(C(F)F)cc1C 882217483 OSSPFFYAKUGQGU-UHFFFAOYSA-N 345.386 3.823 0 50 EHAA CNC(=O)c1cccc(NC(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C)c1 1875288452 DZPZLBVZLGJKNN-PBHICJAKSA-N 343.471 3.869 0 50 EHAA Cc1c[nH]nc1CN[C@@H]1CN(c2ccc(Cl)cc2F)C[C@H]1C1CC1 1875379079 LXTNQPNDEURJDV-WMLDXEAASA-N 348.853 3.515 0 50 EHAA O=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCC([C@@H]2CCCN2)CC1 2325786471 OGZWKJVGYFLXRW-HNNXBMFYSA-N 349.837 3.565 0 50 EHAA Fc1cncc(-c2noc(-c3ccc(CN4CCCCC4)s3)n2)c1 2325787512 DWXNPSNQNJFEHP-UHFFFAOYSA-N 344.415 3.985 0 50 EHAA N[C@@H](C(=O)N[C@H](c1cccc(Cl)c1)c1ccccc1Cl)C1CC1 2325828193 AIQBJDBDWHXUOO-IAGOWNOFSA-N 349.261 3.936 0 50 EHAA O=C(O)c1cccc(C(F)(F)C(=O)N[C@H]2CCCc3ccccc32)c1 2325878990 DPGZEQROULIXPF-INIZCTEOSA-N 345.345 3.670 0 50 EHAA COc1ccc(-c2ccc(C(=O)N[C@H]3CC[C@H](OC)CC3)o2)cc1 2356157738 OSTVLEITFSLYDF-KOMQPUFPSA-N 329.396 3.643 0 50 EHAA Cc1oc2cc(O[C@H](C)C(=O)O)ccc2c(=O)c1Oc1ccccc1 123799 FYIKHLLVPYVBTH-GFCCVEGCSA-N 340.331 3.746 0 50 EHAA biogenic CCc1cc2c(NCCc3ccc(OC)c(OC)c3)ncnc2s1 291428 XHPRTHXFHYNSNH-UHFFFAOYSA-N 343.452 3.926 0 50 EHAA Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)c1 291931 HIROZDCHQTUOIZ-CQSZACIVSA-N 342.826 3.948 0 50 EHAA CCOc1cc(CN2CCN(c3ccccc3C)CC2)ccc1OC 293636 ZKNRXZLDYFFJAV-UHFFFAOYSA-N 340.467 3.725 0 50 EHAA Cc1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)cc1 342109 OGWTWXJUPACLOF-UHFFFAOYSA-N 328.437 3.909 0 50 EHAA CC(=O)O[C@@H](C(=O)Nc1ccc(Br)cc1)c1ccccc1 406485 XGUDBKZLNYMYEO-OAHLLOKOSA-N 348.196 3.692 0 50 EHAA CCOc1ccc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2c1 435670 YMHMKLIDDVTHBL-CQSZACIVSA-N 333.453 3.802 0 50 EHAA Cc1ccc(N2CCN(C(=S)Nc3ccccc3)CC2)c(C)c1 1057473 PSYXSHUGPVLLKC-UHFFFAOYSA-N 325.481 3.822 0 50 EHAA O=C(Nc1ccc(Cl)cc1)N1CCN(CCc2ccccc2)CC1 6730464 KUOMDVXXLSKCKH-UHFFFAOYSA-N 343.858 3.732 0 50 EHAA CCCCNC(=O)N1CCC[C@@H](C(=O)c2ccccc2SC)C1 11934323 AFJBNDVPVYOKLW-CQSZACIVSA-N 334.485 3.813 0 50 EHAA Cc1cnc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3F)C2)cn1 12301404 NDZMYLVJEGFFBV-CQSZACIVSA-N 345.393 3.548 0 50 EHAA CC(C)(C)c1ccc(OCc2nnnn2-c2ccc(F)cc2)cc1 12381738 BVNDSNHOHKCEGJ-UHFFFAOYSA-N 326.375 3.678 0 50 EHAA COc1cccc(CC[C@@H]2CCCN(C(=O)c3cscn3)C2)c1 12581761 BVSIAZOAUUPTAD-HNNXBMFYSA-N 330.453 3.637 0 50 EHAA COC(=O)c1ccccc1Nc1cc(C)nc(-c2ccccc2O)n1 15835907 INNMGNGWRQCJKU-UHFFFAOYSA-N 335.363 3.688 0 50 EHAA COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 16091128 DRIYSYFYGSZQNC-SFHVURJKSA-N 331.437 3.529 0 50 EHAA Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 20399217 ASXOGJHESLGOKV-QGZVFWFLSA-N 342.826 3.892 0 50 EHAA CCOC(=O)C1=C(c2ccccc2)O[C@H](N(C)C)C(c2ccccc2)=C1 22339720 OXFAQXQBBDLEKD-NRFANRHFSA-N 349.430 3.962 0 50 EHAA CC(=O)c1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)s1 46501648 AUYFIBLYXDBMNR-OAHLLOKOSA-N 345.420 3.761 0 50 EHAA CCC(=O)c1ccc(OCC(=O)N[C@H](CC)c2cc(C)ccn2)cc1 55119824 MURJFROEFYGDLS-QGZVFWFLSA-N 340.423 3.629 0 50 EHAA CC(C)=Cc1c(-c2ccccc2)ncn1CCNC(=O)c1ccncc1 65496890 CWGWXGRRPRWNDI-UHFFFAOYSA-N 346.434 3.798 0 50 EHAA COc1ccc(-c2ccc(C(=O)N(C)Cc3csc(C)n3)o2)cc1 65508284 OOYSGIGPVQWXHJ-UHFFFAOYSA-N 342.420 3.992 0 50 EHAA Cc1[nH]c2ccccc2c1CC(=O)N1Cc2cnc(CC(C)C)nc2C1 67459124 LSEDZBBYWSWKOJ-UHFFFAOYSA-N 348.450 3.550 0 50 EHAA Cc1cccc(OC[C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)c1 77506096 DVSUHTUBFYLTIF-MRXNPFEDSA-N 328.412 3.531 0 50 EHAA CC[C@@H](NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12)c1ccnn1C 91391454 ANQGGMHWKBJSED-MRXNPFEDSA-N 338.455 3.637 0 50 EHAA Clc1cccc(-c2ccc(Cn3cc([C@H]4CCOC4)nn3)o2)c1 91664480 HWXQBMQUIJOOMM-ZDUSSCGKSA-N 329.787 3.744 0 50 EHAA Cc1cc(C)c(CN2CCC[C@@H](c3ccncn3)C2)c(-n2cccn2)c1 97743553 PIDGIBIVRQLCNX-GOSISDBHSA-N 347.466 3.659 0 50 EHAA O=C(c1cc2ccccc2c(=O)[nH]1)N1CC=C(c2cccs2)CC1 117857416 AYQYPXPSABKAHS-UHFFFAOYSA-N 336.416 3.519 0 50 EHAA CCn1ccc2ccc(NC(=O)c3cn(-c4ccc(F)cc4)nn3)cc21 153332202 FPAWWEVJWUJDQF-UHFFFAOYSA-N 349.369 3.633 0 50 EHAA O=C(Nc1cccc2oc(C(F)(F)F)nc12)[C@@H]1C[C@H]1c1cccnc1 153510998 IMIMZVRRQMOHGL-WDEREUQCSA-N 347.296 3.984 0 50 EHAA Cn1cc([C@H]2CCN(C(=O)Nc3cccnc3-c3ccccc3)C2)cn1 156989094 YFJGWWWKPGWERP-INIZCTEOSA-N 347.422 3.504 0 50 EHAA Cc1noc([C@H](N[C@@H](C)c2ccc(-n3ccnc3C)cc2)C(C)C)n1 168005399 BDXDAQLGZZDSMX-SCLBCKFNSA-N 339.443 3.920 0 50 EHAA CCN(CC)S(=O)(=O)c1cc(NCc2ccc(C)o2)ccc1C 170619345 FMOZXQKWISHDNZ-UHFFFAOYSA-N 336.457 3.539 0 50 EHAA O=C(CCc1c[nH]cn1)N[C@H](c1ccc(Cl)cc1)c1ccsc1 189238670 VOOXIWVSADBDNO-QGZVFWFLSA-N 345.855 3.963 0 50 EHAA COc1ccc2c(c1NCc1nnc(-c3ccccc3)n1C)CCC2 190460922 DAMLQEWCWPCFIO-UHFFFAOYSA-N 334.423 3.592 0 50 EHAA CN(Cc1cccnc1)C[C@H]1CCN(Cc2coc3ccccc23)C1 190480951 ZXHHCCJMZQONQW-GOSISDBHSA-N 335.451 3.782 0 50 EHAA O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@H]1CCc1ccccc1 194461974 NIZVIEJOSZPQJN-IBGZPJMESA-N 349.478 3.919 0 50 EHAA Clc1nc2ccccc2cc1CN1CCC(n2cccn2)CC1 225554388 FQKHFYYYOARGDX-UHFFFAOYSA-N 326.831 3.922 0 50 EHAA Cn1nc(-c2nc([C@H]3CCCc4ccccc43)no2)cc1OC(F)F 274738076 MJTJWILWZLXNTI-LBPRGKRZSA-N 346.337 3.540 0 50 EHAA Cc1cc(C)c(S(=O)(=O)N2CC(C)(C)[C@H]2c2ccncc2)s1 292885389 DACMAHPHWOGVDX-CQSZACIVSA-N 336.482 3.532 0 50 EHAA CCc1oc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1C(=O)O 339089375 TVOXIDDNTRRZFN-UHFFFAOYSA-N 342.376 3.916 0 50 EHAA COCc1cc(N2CCC[C@H]2c2cccnc2)nc(C(C)(C)C)n1 366670021 YDRXKRQIGWZAQX-INIZCTEOSA-N 326.444 3.657 0 50 EHAA C[C@@H]1CN(C(=O)NCc2cccc3cccnc23)Cc2ccccc2O1 368300123 UYLZXABYMIJUAP-OAHLLOKOSA-N 347.418 3.728 0 50 EHAA Cc1cccc([C@@H]2CCCN2CC2CCN(C(=O)CC(C)C)CC2)n1 370196146 XJFJWQYTLRKXKZ-FQEVSTJZSA-N 343.515 3.812 0 50 EHAA O=C(c1cccc(OCc2ccccc2)c1)N1CCCC[C@H](CO)C1 371280134 NNKCTKVZXNNCJM-SFHVURJKSA-N 339.435 3.500 0 50 EHAA COc1ccccc1-c1ncc(CN(C)[C@@H](C)c2ccccn2)cn1 430068544 FZQCTYOSOANPGQ-HNNXBMFYSA-N 334.423 3.740 0 50 EHAA O=C(NCC(F)F)c1cc(-c2ccccc2)n(-c2ccccc2)n1 674501049 HPLQGCPEIBGGEG-UHFFFAOYSA-N 327.334 3.534 0 50 EHAA CP(C)(=O)c1ccc(-c2nc([C@@H]3CCOC4(CCC4)C3)no2)cc1 904159561 MVHWDAROLZSMSL-CQSZACIVSA-N 346.367 3.801 0 50 EHAA Cc1ccc(Cl)c(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c1F 1529158497 DESDKOINAAUGDD-IEBWSBKVSA-N 349.833 3.722 0 50 EHAA CCc1noc(NC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)c1C 1529196395 ZKIMHMXQQBKIOJ-UHFFFAOYSA-N 338.367 3.725 0 50 EHAA O=C(O)[C@@]12CC[C@@H](c3ccccc3)C[C@@H]1CN(Cc1ccccn1)C2 1565514004 SEHKHAXLKDPAEH-DBXWQHBBSA-N 336.435 3.552 0 50 EHAA O=C(NCc1ncoc1C1CC1)Nc1ccccc1N1CCCCC1 1875288450 DVIUOUUYOWYJGP-UHFFFAOYSA-N 340.427 3.864 0 50 EHAA Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2ccnc(O)c2c1 1875362464 GMKIBBNJTJHOMN-UHFFFAOYSA-N 348.811 3.703 0 50 EHAA Cc1c(-c2nc([C@H](C)N)no2)sc2ncc(C(F)(F)F)cc12 2325812164 CWDQSJARLCBXNW-LURJTMIESA-N 328.319 3.693 0 50 EHAA C[C@@]12CCC[C@@](NC(=O)c3ncc(Cc4ccccc4)s3)(CO1)C2 2325826654 IITOAOIRLUMIED-OALUTQOASA-N 342.464 3.565 0 50 EHAA C[C@H]1Oc2ccc(CN(C)Cc3cccc4ncccc34)cc2NC1=O 2325859907 PHGWDFSUGZGQES-CQSZACIVSA-N 347.418 3.586 0 50 EHAA Cc1ncsc1CCNc1nccc(-c2ccc(N(C)C)cc2)n1 2356140154 WNTUUQQMMJIXLI-UHFFFAOYSA-N 339.468 3.629 0 50 EHAA CCOc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 108893 XIVBMYDTNXTQBA-MRXNPFEDSA-N 342.420 3.527 0 50 EHAA CN(C)CCCN1C(=O)CS[C@@H]1c1ccc(Cl)c(Cl)c1 196404 CQQUVPWMVQOMTM-CQSZACIVSA-N 333.284 3.519 0 50 EHAA O=C(CSCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 314666 KJMBOVSZBHUXAV-UHFFFAOYSA-N 349.839 3.983 0 50 EHAA COC(=O)c1ccc(C)c(NC(=O)c2ccc(OC(F)F)cc2)c1 374272 MXUNVCPYFFPRAO-UHFFFAOYSA-N 335.306 3.635 0 50 EHAA CC1(C)Cc2c(sc3nc(Nc4ccccc4)[nH]c(=O)c23)CO1 528615 CVLPOZVXCAYPIX-UHFFFAOYSA-N 327.409 3.580 0 50 EHAA O=C(Nc1nnc(C(F)(F)F)s1)c1csc2c1CCCC2 1056351 VJQDHUGSCMAUHC-UHFFFAOYSA-N 333.360 3.750 0 50 EHAA O=C(O[C@H](CN1CCCCC1)C(F)(F)F)c1cccc(Cl)c1 1395967 HEIDWQFZKAHOCT-CYBMUJFWSA-N 335.753 3.914 0 50 EHAA CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 2734083 PLWRVXXDWBSNHH-UHFFFAOYSA-N 341.363 3.625 0 50 EHAA CCc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1 2839033 YWVSUFSEEFIGFI-UHFFFAOYSA-N 347.480 3.730 0 50 EHAA COC(=O)[C@H](C(=O)NCc1ccc(Cl)cc1)C1CCCCCC1 2841409 MWFZNLWJEUQSDU-INIZCTEOSA-N 337.847 3.716 0 50 EHAA CCOc1cccc(OCCOCCOc2ccc(C)cc2OC)c1 2985078 PFVCULVFGCLYTH-UHFFFAOYSA-N 346.423 3.877 0 50 EHAA Cc1cc(C)c2nc3s/c(=C/c4ccccc4Cl)c(=O)n3c2c1 4471563 VITPYUXBVHWLNL-OQLLNIDSSA-N 340.835 3.727 0 50 EHAA Cc1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 4865856 OZAPQJJEABDXTL-UHFFFAOYSA-N 332.403 3.998 0 50 EHAA O=C(CCC(F)(F)F)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 12300450 NVRBPGMJYAJSHT-LLVKDONJSA-N 336.304 3.710 0 50 EHAA CCOC(=O)C1CCN(CCOc2cc(C)ccc2C(C)C)CC1 16527136 OLKAAZISAWSFEH-UHFFFAOYSA-N 333.472 3.772 0 50 EHAA CC(C)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 19594671 JFNVJWAJVRHCLG-UHFFFAOYSA-N 338.451 3.895 0 50 EHAA CC[C@H](C)c1ccc(OCCOCCN2C[C@H](C)O[C@H](C)C2)cc1 20167369 PCCPRLIMDXBZLG-OKZBNKHCSA-N 335.488 3.705 0 50 EHAA OCC[C@@H]1CN(C2CCCCCC2)CCN1CCCc1ccccc1 20255822 JHNMICRYTPXFMK-JOCHJYFZSA-N 344.543 3.711 0 50 EHAA Fc1cccc(OC2CCN(CCn3ncc4ccccc43)CC2)c1 20452876 YBUVPYAFKKVXLX-UHFFFAOYSA-N 339.414 3.719 0 50 EHAA Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H](C)C2)c1 20616368 AWHHPGTUMMTESE-ZDUSSCGKSA-N 328.412 3.743 0 50 EHAA CCc1cn[nH]c1C1CCN(C(=O)C2=Cc3ccccc3OC=C2)CC1 67447030 DJAGGMUGEPYYCU-UHFFFAOYSA-N 349.434 3.668 0 50 EHAA CC(C)[C@H]1CN(C(=O)C(C)(C)C)CCCN1Cc1ccc(F)cc1 71771073 VNAMFUQIMZUMHW-GOSISDBHSA-N 334.479 3.931 0 50 EHAA CN(Cc1cc(C2CC2)[nH]n1)C(=O)CCCc1ccc(Cl)cc1 77297984 YYRAREPSNRARLV-UHFFFAOYSA-N 331.847 3.922 0 50 EHAA O=C1CC[C@@]2(CCCN(CC3CCC3)C2)CN1CCc1ccccc1 77505250 CMHZLANBFRUHDX-JOCHJYFZSA-N 340.511 3.734 0 50 EHAA Cc1nc(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)cs1 82125534 TXRMPWPBRCTWQF-UHFFFAOYSA-N 340.452 3.656 0 50 EHAA Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H]1C[C@@H]1c1ccco1 122195194 NOAZEZQCZAQYJQ-GJZGRUSLSA-N 335.363 3.913 0 50 EHAA c1ccc(CNc2nc(-c3ccccc3)cc(N3CCOCC3)n2)cc1 135728466 ZLOUEZWPVVQBNZ-UHFFFAOYSA-N 346.434 3.592 0 50 EHAA CCC(=O)[C@@H]1CCCCN1C(=O)c1csc(-c2ccccc2)n1 136009389 AXKIOVLXBDNFQQ-HNNXBMFYSA-N 328.437 3.784 0 50 EHAA O=C(c1cnc(C(F)(F)F)nc1)N1CCC(c2ccccc2)CC1 154045956 MDRPSNWWOKXUCW-UHFFFAOYSA-N 335.329 3.515 0 50 EHAA C[C@@H](CNC1CCC(O)(c2cccc(Cl)c2)CC1)Cn1ccnc1 170081756 DGONOUVGASOPPI-MNNVXMFVSA-N 347.890 3.593 0 50 EHAA Cn1c(C(=O)Nc2ccc(F)c(C(=O)O)c2)ccc1-c1ccccc1 170672170 VUAOVYXRAASCSQ-UHFFFAOYSA-N 338.338 3.782 0 50 EHAA CC(C)c1nc(C(=O)N2CC[C@@H](COCc3ccccc3)C2)cs1 172802760 ZUWYVMQDQFHFNK-MRXNPFEDSA-N 344.480 3.945 0 50 EHAA CN(c1ccccc1)C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 193929846 YWAHLMNFUWVYQF-UHFFFAOYSA-N 333.435 3.909 0 50 EHAA c1nc(CN(Cc2cocn2)Cc2ccc([C@@H]3CCCO3)s2)co1 215449277 ATMOBSCYFZQONQ-INIZCTEOSA-N 345.424 3.778 0 50 EHAA COC[C@H](C)Nc1ccccc1NC(=O)CCc1cccc(OC)c1 225496230 OVFCRNJBSZHKQD-HNNXBMFYSA-N 342.439 3.713 0 50 EHAA C[C@@H](NC(=O)c1ccoc1C1CC1)c1cnn(Cc2ccccc2)c1 225587945 OZHCQKNHPMYYBE-CQSZACIVSA-N 335.407 3.893 0 50 EHAA Cc1[nH]c2ccc(C(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)cc2c1C 226848342 CKESOXJUHXOFCW-PXNSSMCTSA-N 339.483 3.779 0 50 EHAA Cc1c(COC(C)C)cccc1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 230129848 YWGAMNRFADACNU-UHOSZYNNSA-N 346.471 3.999 0 50 EHAA O=C(CCN1CCCCC[C@@H]1c1ccco1)NCc1cccs1 244795856 RORRMDCYGWMBQX-MRXNPFEDSA-N 332.469 3.965 0 50 EHAA O=C(c1cc2n(n1)CCCO2)N1CCCCC[C@H]1C1CCCCC1 252479880 BOLYLTLINGRTAT-KRWDZBQOSA-N 331.460 3.631 0 50 EHAA Cn1ccc2cccc(NC(=O)N3CCC(OCC4CC4)CC3)c21 253419840 DBWBPMWNVORKIJ-UHFFFAOYSA-N 327.428 3.601 0 50 EHAA c1cc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2ccc3[nH]ccc3c2)ccn1 253596796 WBXQNZZHAPGYFA-CTNGQTDRSA-N 346.478 3.659 0 50 EHAA C[C@H](c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1)[C@@H](C)N 261873055 VLRKFIQZYBHASW-UONOGXRCSA-N 347.422 3.585 0 50 EHAA CC(C)C[C@@H](NC(=O)N1CC[C@H](C(=O)O)C1)c1ccc(Cl)cc1 263226098 LTCPIMKOABAPKD-DZGCQCFKSA-N 338.835 3.543 0 50 EHAA CS[C@@H]1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 296118954 FKUPXILPIZIHGV-GFCCVEGCSA-N 335.498 3.614 0 50 EHAA Cc1ccccc1-c1noc(C)c1C(=O)N1CC[C@@H](O)CC(C)(C)C1 297040309 STBIHTLLPWWXBH-OAHLLOKOSA-N 342.439 3.582 0 50 EHAA C[C@H](Cc1cnccn1)N(C)C(=O)C1(c2ccc(Cl)cc2)CCC1 299756950 IXQGKFQRCRAJSZ-CQSZACIVSA-N 343.858 3.641 0 50 EHAA CCC1(CC)CN(C(=O)c2cc(C(C)(C)N)no2)c2ccccc21 662793446 SEPHTNVVZWHSKW-UHFFFAOYSA-N 327.428 3.587 0 50 EHAA Oc1cccc(CC[C@@H]2CCCCN2Cc2cccc3nonc23)c1 952978154 PRPFGTLRWTVYAO-KRWDZBQOSA-N 337.423 3.916 0 50 EHAA CN(CCNc1cc(-c2ccccc2)nc2ccnn12)c1ccccc1 1472646701 UPLFDGCZLZBWTH-UHFFFAOYSA-N 343.434 3.945 0 50 EHAA Fc1cccc2ccc(CN3CCC[C@]4(CCc5c[nH]nc54)C3)nc12 1775982947 VVPJEKUBSRIMAJ-FQEVSTJZSA-N 336.414 3.577 0 50 EHAA CC(C)SCc1nnc2sc(-c3ccc(N(C)C)cc3)nn12 1776111014 LZDOZUJPGYCLHF-UHFFFAOYSA-N 333.486 3.560 0 50 EHAA COC(=O)[C@@H]1C[N@@]1C(c1ccccc1)(c1ccccc1)c1ccccc1 1857522672 QGSITPKXYQEFIR-XUZZJYLKSA-N 343.426 3.836 0 50 EHAA Cc1cc(CN(C)CC2CCNCC2)nc(-c2ccc(Cl)cc2)n1 1875284156 OTODCSLOEFNDOU-UHFFFAOYSA-N 344.890 3.537 0 50 EHAA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)c1cccc2ncsc12 1940196301 ZXNDLCNAHYXYKV-UHFFFAOYSA-N 340.383 3.584 0 50 EHAA CCc1nc(O)ccc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 2100477611 CQBVMKPEEVBVKK-UHFFFAOYSA-N 342.414 3.584 0 50 EHAA Cc1nn(C)c(Cl)c1/C=C/c1ccc([C@@]2(C)COC(=O)N2)cc1 2325778025 XYNCSICTCWXAOG-RCMYXZNBSA-N 331.803 3.507 0 50 EHAA COc1ccccc1C1(C(=O)N[C@H]2CCC3(CCOCC3)C2)CCC1 2325791390 UVPKJIRSJUSHCE-INIZCTEOSA-N 343.467 3.582 0 50 EHAA C[C@H](NCc1cnc(C2CCOCC2)nc1)c1cccc2cccnc12 2325858376 LARDBOLMAQDCMC-HNNXBMFYSA-N 348.450 3.770 0 50 EHAA CCC[C@@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 43466 STJLVHWMYQXCPB-IUODEOHRSA-N 342.226 3.653 0 50 EHAA biogenic,in-vitro O=C(c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 67793 AFSBXBIGUYIJAI-UHFFFAOYSA-N 335.234 3.956 0 50 EHAA CCOc1ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2c1 283207 LHXLTOVMWWOIAP-UHFFFAOYSA-N 333.453 3.659 0 50 EHAA O=S(=O)(Cc1ccccc1)NC(c1ccccc1)c1ccccc1 304111 FFMSCBXAHNAVGX-UHFFFAOYSA-N 337.444 3.896 0 50 EHAA CC(=O)Nc1ccc(C(=O)Oc2ccc(Br)cc2)cc1 360299 ZOCFZFOQONDVOA-UHFFFAOYSA-N 334.169 3.627 0 50 EHAA COc1ccc(CN2CCC(C(=O)NC3CCCCCC3)CC2)cc1 455482 JHXYFOYBUKTYCG-UHFFFAOYSA-N 344.499 3.746 0 50 EHAA Cc1cccc(C)c1NC(=O)C[C@H]1Sc2ccccc2NC1=O 612483 DNRWVFDBCGSWNU-OAHLLOKOSA-N 326.421 3.745 0 50 EHAA O=C(Nc1ccccc1F)c1ccn(COc2ccc(Cl)cc2)n1 2787470 OHKVNELSAHIORK-UHFFFAOYSA-N 345.761 3.964 0 50 EHAA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2Cl)CC(=O)N1 4913566 SHCONUCOZFOERW-AWEZNQCLSA-N 333.815 3.703 0 50 EHAA Cc1c(CN2CCC[C@H](CCC(=O)NC3CC3)C2)[nH]c2ccccc12 11712634 XNAKHZFSUOIVAF-MRXNPFEDSA-N 339.483 3.747 0 50 EHAA COCCCn1c(S)nnc1Cc1ccc(-c2ccccc2)cc1 17071140 UTAYJPJRFGZBOP-UHFFFAOYSA-N 339.464 3.861 0 50 EHAA O=C1CC[C@@H]2CN(C3CCCC3)CC[C@@H]2N1Cc1cccc(F)c1 20915895 MGCMYBACMRLMMD-APWZRJJASA-N 330.447 3.581 0 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CC(=O)Nc1ccc(CCNc2ncnc3cc(F)c(F)cc23)cc1 170642851 DWAGFUMQWAYKRW-UHFFFAOYSA-N 342.349 3.521 0 50 EHAA CCCCOc1ccc(OC)cc1NC(=O)N1CCCO[C@@H](C)C1 171251149 UNDHTEMLVTWWOM-AWEZNQCLSA-N 336.432 3.517 0 50 EHAA CC(=O)N1CCCN(C(=O)c2cccc(Cl)c2)c2ccccc21 173979763 YKTICIXZEAGHGA-UHFFFAOYSA-N 328.799 3.743 0 50 EHAA CO[C@@H](C(=O)Nc1cccc(CN2CCCCC2)c1)c1ccccc1 183071547 FAPHXTFDXNUSMW-HXUWFJFHSA-N 338.451 3.999 0 50 EHAA CC[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2C)c2ccccc2O1 186107593 GIRFZRZXRXLOLF-QGZVFWFLSA-N 347.418 3.999 0 50 EHAA CCCN(C[C@@H]1CCCCO1)C(=O)c1c[nH]nc1-c1ccsc1 186701769 FZTONHUGNDFATE-AWEZNQCLSA-N 333.457 3.560 0 50 EHAA CC(C)c1noc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 192077241 HPGPYDITURIIHT-UKRRQHHQSA-N 339.798 3.605 0 50 EHAA O=c1[nH]c(Cc2cncs2)nc2scc(-c3cccs3)c12 225452879 AVQLPMNTCZLCFI-UHFFFAOYSA-N 331.447 3.760 0 50 EHAA FC(F)c1cc(I)ccc1Br 238684807 ZREOSRIVHKEJBZ-UHFFFAOYSA-N 332.913 3.991 0 50 EHAA CC/C(=C\C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(OC)cc1 246106682 MLDAVUHMRBGILE-ICANNQSYSA-N 329.440 3.562 0 50 EHAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)C1 252486995 RCKGLMJLSQQWLG-AEGPPILISA-N 335.831 3.547 0 50 EHAA CC[C@@H](C)CN(C)C(=O)Nc1cnc2c(Br)cccn12 253426106 YBGWOBSZBKDNIG-SNVBAGLBSA-N 339.237 3.607 0 50 EHAA O=C(c1cccs1)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F 280245114 YEWGGPBIMZTDOF-ZWNOBZJWSA-N 341.354 3.715 0 50 EHAA COc1ccccc1CCC(=O)N[C@@H](CC(C)C)c1cccnc1 299765108 VVTRYLYNZGSJJG-SFHVURJKSA-N 326.440 3.926 0 50 EHAA COc1cccc(C)c1NC(=O)NCC1(COc2ccccc2)CC1 299775187 AMYPYNVGONOYDO-UHFFFAOYSA-N 340.423 3.984 0 50 EHAA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1coc2ccccc12 328621926 IBDUTFSHNFHZCY-JXFKEZNVSA-N 349.434 3.593 0 50 EHAA O=C([C@H]1Cc2ccccc21)N(Cc1ccccc1)CC1CCOCC1 358462515 RLFZTESCCWEFRA-NRFANRHFSA-N 335.447 3.782 0 50 EHAA C[C@@H](O)c1cccc(-c2ccc(C(=O)N3CCSCC3)cc2)c1 426618113 KDJKPLFTJSMXOZ-CQSZACIVSA-N 327.449 3.596 0 50 EHAA Cc1ncccc1CN(Cc1ccsc1)[C@H]1CC12CCNCC2 435421893 LLMFDOBRZSQFNA-SFHVURJKSA-N 327.497 3.596 0 50 EHAA Cc1oc(-c2ccsc2)nc1CN1C(=O)OC2(CCCC2)C1=O 497078044 BFPLVWSYHUQDHW-UHFFFAOYSA-N 332.381 3.503 0 50 EHAA CC(C)(C)OC(=O)Nc1c(Br)cc(F)cc1C(=O)O 725375525 MDPIMLUTLKQLIF-UHFFFAOYSA-N 334.141 3.633 0 50 EHAA O=C(OCc1ccc(CN2CCCCC2)cc1)c1cnn(C2CC2)c1 859893098 MCMNXMLZURSPDF-UHFFFAOYSA-N 339.439 3.561 0 50 EHAA C[S@](=O)C1(CN[C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 863983086 AFRUIKQRNUZFDH-AOMKIAJQSA-N 337.872 3.718 0 50 EHAA COC1(c2nc(-c3ncccc3-n3cccn3)no2)CCCCCC1 904066209 KJWWPOHZTGFXJW-UHFFFAOYSA-N 339.399 3.513 0 50 EHAA CC1(C)Cc2c(cnn2-c2ccccc2)CN(CCOCC(F)F)C1 952892271 GGHVWLVQJHBQPC-UHFFFAOYSA-N 349.425 3.538 0 50 EHAA COc1ccc(CN2CCC[C@]3(CCC[C@H]3O)C2)c2ccccc12 1704302873 DTMZQMUFQFQEEK-NHCUHLMSSA-N 325.452 3.975 0 50 EHAA COc1cccc([C@@H]2CCN(c3cnc4ccccc4n3)C2)c1OC 1857695555 ONSNZDYZBANQOD-CQSZACIVSA-N 335.407 3.641 0 50 EHAA CSc1ccccc1N(C)C(=O)c1cc(-c2cccnc2)no1 1875332577 ZFFZPDDFJIMGON-UHFFFAOYSA-N 325.393 3.735 0 50 EHAA Cc1cc(C2CCN(C(=O)NC[C@@H]3CCCC(F)(F)C3)CC2)on1 2325818260 WZEWLEVIEYSQAO-CYBMUJFWSA-N 341.402 3.698 0 50 EHAA CCN(Cc1ccc(C(=O)OCC[C@H]2OCC[C@@H]2C)cc1)C1CC1 2325874253 FTCXRNOPVJAYMY-HNAYVOBHSA-N 331.456 3.643 0 50 EHAA CCOC(=O)C1CCN(C(=O)Nc2cccc3ccccc23)CC1 287226 FJYRQBJGHLPVQS-UHFFFAOYSA-N 326.396 3.647 0 50 EHAA CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OCC)cc2)c1 315390 MIMQRHJKXXPWGJ-JLHYYAGUSA-N 339.391 3.914 0 50 EHAA CCOC(=O)c1ccc(CCc2ccc(C(=O)OCC)cc2)cc1 391511 BUGQXHPFTVMLSP-UHFFFAOYSA-N 326.392 3.825 0 50 EHAA CCCCn1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O 1911923 SCIJAOIDKATKPZ-UHFFFAOYSA-N 341.436 3.819 0 50 EHAA CCOc1cc(C=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 2879255 UYKXKSJAJIZYSW-UHFFFAOYSA-N 327.380 3.532 0 50 EHAA CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2OC)c1 4090412 BFZDTNZPAYHBDW-UHFFFAOYSA-N 344.436 3.611 0 50 EHAA O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 4612055 STMFJDTXVZATRV-STQMWFEESA-N 348.399 3.779 0 50 EHAA O=C(Nc1ccc(F)c(F)c1)C1CCN(Cc2ccccc2)CC1 9062838 NBBPDNDVTWZLON-UHFFFAOYSA-N 330.378 3.816 0 50 EHAA Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccccc1C(C)C 10315241 KVUACLQGVUKWIU-UHFFFAOYSA-N 346.452 3.742 0 50 EHAA Cc1nc(C)c(CN2CC[C@@H](C3CCN(CC(C)C)CC3)C2)nc1C 11952293 ZCXRRUWCGVBKCM-HXUWFJFHSA-N 344.547 3.592 0 50 EHAA CCN(Cc1nc(-c2cc(OC)ccc2F)oc1C)C[C@@H]1CCCO1 12092915 UXHSGAHRGWGATL-HNNXBMFYSA-N 348.418 3.799 0 50 EHAA Fc1ccc(CC2CCN(Cc3nc(CC4CC4)no3)CC2)cc1 12584007 KORFTSXEJLEOHC-UHFFFAOYSA-N 329.419 3.616 0 50 EHAA CCn1ccnc1CN1CCC[C@@H](C(=O)c2ccc(SC)cc2)C1 13594999 RMSYVNOJMDHJBP-MRXNPFEDSA-N 343.496 3.720 0 50 EHAA c1ccc(-n2ncc3[nH]c(-c4ccccc4Cn4cccn4)nc32)cc1 20109570 WDQFORRCMXVCGH-UHFFFAOYSA-N 340.390 3.660 0 50 EHAA CCc1cc(C(=O)NCCn2nc(C(F)F)cc2C(F)F)cs1 20607372 PTDUXEAKZLECOY-UHFFFAOYSA-N 349.353 3.812 0 50 EHAA CC(C)N1C[C@H](c2ncc(-c3ccccc3C(F)(F)F)[nH]2)CC1=O 23379829 MYMBJRCQKWPJKI-LLVKDONJSA-N 337.345 3.820 0 50 EHAA CN(Cc1ccon1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 23541865 SEPUIXINVCFTII-KRWDZBQOSA-N 347.890 3.715 0 50 EHAA CCOC(=O)C1=Cc2ccc(C(F)(F)C(F)(F)F)cc2N=C(N)C1 34809231 ICZPANLPYRTVSF-UHFFFAOYSA-N 348.271 3.680 0 50 EHAA in-vitro Cc1cccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1C 55165852 LVMRTHLTJDIZTI-UHFFFAOYSA-N 348.450 3.676 0 50 EHAA Cc1cc(-n2nc(CCc3ccccc3)nc2C2CCOCC2)ccn1 65374708 FSWRZDGLNCWSMW-UHFFFAOYSA-N 348.450 3.650 0 50 EHAA C[C@@H](CCN1CCCN(C(=O)c2ccco2)CC1)c1ccccc1 65393467 ZWFAJKNJPKCWLF-KRWDZBQOSA-N 326.440 3.621 0 50 EHAA Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1ncccn1)CCO2 67640930 RPWQPTDIOPJLBF-UHFFFAOYSA-N 347.418 3.552 0 50 EHAA Fc1cccc([C@H]2c3nc[nH]c3CCN2Cc2ccc(F)c(F)c2)c1 67742360 MBYJGSURPDGSGU-IBGZPJMESA-N 343.352 3.975 0 50 EHAA Cc1ccsc1-c1nc(CN(C)Cc2cnn(C)c2C)c(C)o1 67757350 RUFQTVFMPBDIKO-UHFFFAOYSA-N 330.457 3.694 0 50 EHAA C[C@H](c1ccco1)N(C)C(=O)c1cc(COc2ccccc2F)[nH]n1 67818870 WVTDESSMZNWWTM-GFCCVEGCSA-N 343.358 3.554 0 50 EHAA COc1cccc(SCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 69701832 SQYLSBPURJHGSA-LBPRGKRZSA-N 341.436 3.541 0 50 EHAA COc1ccnc(CN2CCC[C@H](CCc3ccccc3)C2)c1OC 72144581 LVSMRCUAMHXESH-GOSISDBHSA-N 340.467 3.944 0 50 EHAA Cc1cc(C)cc(C2(CNC(=O)c3cc4ncccn4n3)CCCC2)c1 97601134 PTXXESIAKVLMOW-UHFFFAOYSA-N 348.450 3.588 0 50 EHAA COC(=O)[C@@H](N[C@H](C)c1cccc(Cl)c1Cl)c1cccnc1 152323360 DYQYWOMTQOIEAU-BMIGLBTASA-N 339.222 3.953 0 50 EHAA COc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1F 170611553 WVYNVHWPVYXZGK-CYBMUJFWSA-N 333.325 3.885 0 50 EHAA Cc1cccc2[nH]c(CCC(=O)N(C)[C@H]3CCc4ccccc43)nc12 175289161 QVFRVKUWJOBMRP-SFHVURJKSA-N 333.435 3.950 0 50 EHAA Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@@H]2Cn2ccnc2)s1 180538379 AGSWMWMWDQEBAR-CQSZACIVSA-N 347.488 3.543 0 50 EHAA CC(C)(C)n1cc(NC(=O)N[C@H]2CCCOc3c(F)cccc32)cn1 181764525 KCPRZARUNZUBAI-HNNXBMFYSA-N 346.406 3.813 0 50 EHAA Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc2ccccc2[nH]c1=O 193158924 JUQXYMGADVWZKS-LJQANCHMSA-N 349.434 3.624 0 50 EHAA CC(C)c1nc2n(n1)C[C@H](N[C@@H]1C[C@@H](c3ccccc3)C1(C)C)CC2 230283235 SAHDQMYOYITBSI-FGTMMUONSA-N 338.499 3.888 0 50 EHAA Cn1nc(-c2ccco2)cc1NC(=O)N(Cc1cccs1)C1CC1 241383280 MTXFMZGRSIRUMC-UHFFFAOYSA-N 342.424 3.938 0 50 EHAA CCC(CC)n1nc(C(=O)N[C@@H]2COc3cccc(F)c32)cc1C 252571287 XRHVQVOSBDLLAI-OAHLLOKOSA-N 331.391 3.555 0 50 EHAA COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@H](c3ccc(C)cc3)C[C@@H]2C)CC1 253425406 CWZZITFVBWTYJS-DSLXNQLJSA-N 343.467 3.679 0 50 EHAA COC(=O)c1nc([C@H]2CCCN2c2nc3ccccc3o2)sc1C 253430184 KBBXSOFZMOHEDA-GFCCVEGCSA-N 343.408 3.721 0 50 EHAA CC(=O)N(C)c1ccc(C(=O)N(C)CCc2ccc(Cl)cc2)cc1 278380993 QPAGQWXIBMWMFS-UHFFFAOYSA-N 344.842 3.637 0 50 EHAA Cc1ocnc1CNC(=O)N[C@@H]1CC(C)(C)CCc2ccccc21 282625653 HNAJNLKCDAIBSZ-MRXNPFEDSA-N 327.428 3.886 0 50 EHAA C[C@H](c1nc(O)c2ccccc2n1)N1CCC[C@H](c2ccncc2)C1 289385854 QLKPGMKLQBJIKP-ZBFHGGJFSA-N 334.423 3.671 0 50 EHAA COc1ccc(NC(=O)N2CCC3(C=Cc4ccccc43)CC2)cn1 299770948 SZMGXDARTZFZJZ-UHFFFAOYSA-N 335.407 3.683 0 50 EHAA O=C(c1nc(-c2ccccc2)cs1)N1CCC[C@@H](N2CCCC2)C1 328586436 VSBGGUFNKORULQ-MRXNPFEDSA-N 341.480 3.511 0 50 EHAA O=C(c1csc(C2CCCCC2)n1)N1CCC[C@H](c2ncc[nH]2)C1 334046629 QFZONNRZOHWECG-AWEZNQCLSA-N 344.484 3.934 0 50 EHAA Cc1cccc(S(=O)(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 343467511 MQQCDXROCRFWHG-UHFFFAOYSA-N 341.436 3.940 0 50 EHAA Cc1cc(-c2ncccc2NC(=O)NCc2ncoc2C)cs1 364738669 WGQMAEDTSMYTRZ-UHFFFAOYSA-N 328.397 3.737 0 50 EHAA CCOc1ccc(NC(=O)NC[C@H]2CCCOC2)cc1C(F)(F)F 426465134 HZBYOUQMHRAODQ-LLVKDONJSA-N 346.349 3.652 0 50 EHAA CC(=O)c1ccccc1-c1ccc(C(=O)N2CCC3(CCO3)CC2)cc1 426489956 CSYFILNAGWDZEE-UHFFFAOYSA-N 349.430 3.951 0 50 EHAA CNC(=O)c1cc(-c2ccc(C(=O)NC3CCC3)cc2)ccc1Cl 426502805 ANSOTJLYOVMILQ-UHFFFAOYSA-N 342.826 3.649 0 50 EHAA Cc1ccc(C(c2ccccc2)(c2ccccc2)[C@@H](ON)C(=O)O)cc1 675050526 MNKIJEWKTJCVMF-FQEVSTJZSA-N 347.414 3.673 0 50 EHAA CC(C)c1cc(CNc2nc(-c3cccnc3)nc3c2CCC3)on1 676080674 VITCFASBYAKPLM-UHFFFAOYSA-N 335.411 3.751 0 50 EHAA Cc1cccc(C)c1CN(C)C(=O)Nc1cc([C@H]2CCCO2)nn1C 931136663 RTCOSNKHSLRTSD-QGZVFWFLSA-N 342.443 3.552 0 50 EHAA C[C@H](c1ccccc1)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 952884207 VZYSVIHMLXNSAJ-TZMCWYRMSA-N 338.377 3.596 0 50 EHAA C[C@@H](C(=O)N(Cc1ccc[nH]1)c1ccc(N(C)C)cc1)n1cccc1 1319827590 TXFBUIIFZZXWFW-INIZCTEOSA-N 336.439 3.677 0 50 EHAA C[C@]12C[C@H]1CN(C(=O)c1cc(-c3cccnc3)nc3ccccc13)C2 1772806071 YNIXPHKGKKTNFI-YCRPNKLZSA-N 329.403 3.779 0 50 EHAA OC[C@@H]1CN(c2cc(C3CCCCC3)ncn2)CC[C@@H]1C(F)(F)F 1775989553 PCMWOULDUWDQEM-KBPBESRZSA-N 343.393 3.521 0 50 EHAA Cc1cc(F)ccc1NC(=O)[C@H](C)n1ccnc1-c1cnsc1 1857696297 VECLXSSICGIRJD-NSHDSACASA-N 330.388 3.654 0 50 EHAA O=C(NC12CC3C[C@H]1[C@H]2C3)c1cc(C(F)(F)F)nc2ccccc12 1875329685 CSWZFYXKWICKDF-ROSPXOTRSA-N 332.325 3.782 0 50 EHAA O=C(O)[C@]1(C(F)(F)F)CCN(Cc2cc3cc(Cl)ccc3[nH]2)C1 2325787711 RBLJMVLTCHMSMD-AWEZNQCLSA-N 346.736 3.660 0 50 EHAA Clc1ccc2nc(N3CCOCC3)nc(-c3ccccc3)c2c1 53305 APTCFUTWDISZKM-UHFFFAOYSA-N 325.799 3.787 0 50 EHAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCc2ccccc21 64155 RIJPSGUIIPVCOU-UHFFFAOYSA-N 328.220 3.745 0 50 EHAA Cc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)c(C)c1 190682 GKORUXPQZAOCSG-FQEVSTJZSA-N 348.402 3.947 0 50 EHAA CCOc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccccc1 360102 JBPDYZAYTXQVAY-LJQANCHMSA-N 341.451 3.933 0 50 EHAA COc1cccc(NC(=S)NC(=O)c2oc3ccccc3c2C)c1 455152 PFUOTJHKSUDKQD-UHFFFAOYSA-N 340.404 3.877 0 50 EHAA CCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 466654 GTGYBDFWDIKDSL-UHFFFAOYSA-N 345.342 3.905 0 50 EHAA CCOc1cc(C=O)ccc1OCC(=O)Nc1cccc(SC)c1 467867 NESMXUIBXZTVOL-UHFFFAOYSA-N 345.420 3.637 0 50 EHAA O=C(CNC(=O)c1cccs1)OCc1c(Cl)cccc1Cl 618215 JBDFJJKHSVJCTN-UHFFFAOYSA-N 344.219 3.528 0 50 EHAA O=S(=O)(Nc1cccc2c1ccc1cccn12)c1cccs1 1386580 BPTPNBWSOKFDTN-UHFFFAOYSA-N 328.418 3.955 0 50 EHAA aggregator CCOc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 4620798 UBRTVABHXWIHFF-UHFFFAOYSA-N 334.828 3.866 0 50 EHAA Cc1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 4838754 DQCDEQYXYHBOJD-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA Cc1ccc(S(=O)(=O)Cc2ccc(Br)cc2)cc1 4842528 CQIBZBQBIIUBEK-UHFFFAOYSA-N 325.227 3.731 0 50 EHAA O=C(CCc1ccccc1)Nc1ccc(-c2cn3cccnc3n2)cc1 4950350 CVZAXQMABSFJHK-UHFFFAOYSA-N 342.402 3.968 0 50 EHAA C[C@H](Oc1ccc2c(c1)CCC2)c1n[nH]c(=S)n1C[C@@H]1CCCO1 6007606 VLWBWDSGBHRCNU-LRDDRELGSA-N 345.468 3.748 0 50 EHAA O=C1CCN(C[C@H]2CC=CCC2)CCN1Cc1cccc(Cl)c1 12098445 ICHMNWRKRSNYAP-INIZCTEOSA-N 332.875 3.731 0 50 EHAA COC(=O)c1c(NC(=S)N2CCCC[C@H]2C)sc(C)c1C 17066865 BDJWZXSBNWSQPR-SECBINFHSA-N 326.487 3.723 0 50 EHAA CCOC(=O)c1cc(C)nc(N2CCC[C@H](c3ccccc3)CC2)n1 20109877 HQUQYUSVPXPWQA-KRWDZBQOSA-N 339.439 3.736 0 50 EHAA CC(C)c1ccccc1NC(=O)CNC(=O)c1ccccc1Cl 20402237 GWCVAXDUVSLNPD-UHFFFAOYSA-N 330.815 3.832 0 50 EHAA CCOC(=O)[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 52508075 CWZXUDDFVSTYMF-SECBINFHSA-N 336.741 3.533 0 50 EHAA in-vitro Nc1ncc(-c2c(-c3ccccc3)ncn2CCc2cccs2)cn1 65374366 PFAKGQRHKWXVFY-UHFFFAOYSA-N 347.447 3.894 0 50 EHAA c1ccc(-c2ncn(CCCn3ccnc3)c2-c2ccncc2)cc1 65398492 TXLDHDLRRWJPOX-UHFFFAOYSA-N 329.407 3.899 0 50 EHAA O=C1CC[C@]2(CCCO2)CCN1Cc1cccc(C(F)(F)F)c1 71752169 QYHWBJOXNXZVNN-MRXNPFEDSA-N 327.346 3.767 0 50 EHAA Cc1nn(-c2ccc(F)cc2)c(C)c1Cn1ccnc1-c1cccnc1 71765410 ROUFCTLWUAWJBA-UHFFFAOYSA-N 347.397 3.935 0 50 EHAA C[C@H](c1cccc(CN2CCC(C3CCN(C)CC3)CC2)c1)N(C)C 72156851 PWVABRFMFBGZEA-GOSISDBHSA-N 343.559 3.863 0 50 EHAA O=C(c1ccoc1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 72428331 MASGACJZFSACJK-CMKODMSKSA-N 325.408 3.572 0 50 EHAA Cc1nc(C)c(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)s1 77320365 FYPGUQNQPGNEAB-CQSZACIVSA-N 348.443 3.830 0 50 EHAA Cn1c([C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)nc2ccccc21 77356331 BMZUYJIHVYHKER-HNNXBMFYSA-N 349.394 3.553 0 50 EHAA O=C(c1ccc2nonc2c1)N1CCCC[C@@H]1CCc1ccccc1 91893224 WSKLPSRRGLNGIF-QGZVFWFLSA-N 335.407 3.850 0 50 EHAA CCCc1ccccc1NC(=O)N(C)[C@H](COC)c1ccccn1 96162206 OMZZAGWBARMVBF-GOSISDBHSA-N 327.428 3.886 0 50 EHAA CCCC[C@@H]1C=CCN1C(=O)Nc1ccc(N2CCCC2=O)cc1 97637839 GXEPMTZVWRMKKC-MRXNPFEDSA-N 327.428 3.776 0 50 EHAA C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)CCc1cn2ccccc2n1 97657145 VSABLBILNYZNIW-HNNXBMFYSA-N 346.434 3.968 0 50 EHAA COc1ccc(NC(=O)NCc2nc(C3CCCCC3)no2)c(F)c1 97713628 XHUKBRYAMMHEKB-UHFFFAOYSA-N 348.378 3.587 0 50 EHAA COc1ccccc1-c1cccc(NC(=O)NCC[C@H]2CCCN2)c1 97815385 FHEPMCGXCKCLIK-MRXNPFEDSA-N 339.439 3.626 0 50 EHAA CCO[C@H]1C[C@H](N(C)C(=O)c2ccc3nc(S)oc3c2)C12CCC2 132592296 XVSQKNWXZXUTIU-GJZGRUSLSA-N 346.452 3.536 0 50 EHAA CSCC[C@@H](NCc1ccc(-c2ccc(F)cc2)s1)C(=O)O 170612840 POIAMGJTKIESHY-CQSZACIVSA-N 339.457 3.850 0 50 EHAA Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc2c[nH]nc2c1 171109521 VEUGJGKJZNKRKN-UHFFFAOYSA-N 338.392 3.769 0 50 EHAA Clc1cccc(COc2cncc(NCC3CCOCC3)n2)c1 175643246 FWVRSMLUPLEGML-UHFFFAOYSA-N 333.819 3.548 0 50 EHAA Cc1scc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1C 180148828 MPAHSLPKEBJZRG-UHFFFAOYSA-N 332.469 3.695 0 50 EHAA COc1cccc(-c2nsc(NC(=O)N(C)C3CCCC3)n2)c1 184105635 PDBRRTJIOMEEMY-UHFFFAOYSA-N 332.429 3.620 0 50 EHAA COCc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCc3cccnc32)o1 192672830 RKXSGOYJVUMMNZ-DLBZAZTESA-N 340.423 3.605 0 50 EHAA O=C(CSC(F)(F)F)N(Cc1ccsc1)c1cccnc1 193510371 XHQFFVQFQIPPAV-UHFFFAOYSA-N 332.372 3.929 0 50 EHAA CC(C)CC(=O)Nc1ccc(N[C@@H](c2cccnc2)c2ncc[nH]2)cc1 195091250 LWNYGVBNSNTZTC-IBGZPJMESA-N 349.438 3.991 0 50 EHAA Cc1nccc(C2CCN(CC[C@@H](C)CCCC(C)(C)O)CC2)n1 216547580 XHGOQMWYFJRONM-INIZCTEOSA-N 333.520 3.932 0 50 EHAA CC(C)CC[C@]1(CC(=O)NC[C@H]2CCCO2)CCO[C@H](C(C)C)C1 229832213 NEYYHJGEZFVMQT-HBFSDRIKSA-N 339.520 3.929 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)c(Cl)cc1F 237694437 PMNFMTOSBJXWAS-LLVKDONJSA-N 327.783 3.505 0 50 EHAA CC[C@H](C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)c1c(C)noc1C 252539634 OFJMZGIXUJWLOT-DKSSEZFCSA-N 343.471 3.593 0 50 EHAA O=C(c1cc(F)cc2cccnc12)N1CCOc2cccc(F)c21 253416509 LSIOVRNZJXKULI-UHFFFAOYSA-N 326.302 3.552 0 50 EHAA CCOC[C@@H]1CCN(C(=O)c2cc3cccc(C)c3nc2Cl)C1 328592801 YMKBKMOTFIGNPZ-CYBMUJFWSA-N 332.831 3.695 0 50 EHAA Cc1nc(-c2cccc(NC(=O)CCCc3cccs3)c2)n[nH]1 338037732 HXPPKWZWTMXVAW-UHFFFAOYSA-N 326.425 3.803 0 50 EHAA C[C@H]1CC(c2nc(Cn3cc(Br)cn3)no2)C[C@H](C)C1 408228720 ZLYPIOCNOQZJCU-NXEZZACHSA-N 339.237 3.617 0 50 EHAA CCc1nnc(CNC(=O)C2(c3ccc(C(C)C)cc3)CCCC2)o1 413635994 SMVNEIVIAKCGIZ-UHFFFAOYSA-N 341.455 3.884 0 50 EHAA CC1(C)CC[C@H](Sc2nnc(CNC(=O)OC(C)(C)C)o2)C1 496891563 LNOHKTNMSFTAHM-JTQLQIEISA-N 327.450 3.765 0 50 EHAA Cc1cc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)nc(C)n1 542530676 GTAFAWDCSLRAMN-QGZVFWFLSA-N 337.423 3.660 0 50 EHAA COc1ccc(NC(=O)C(C)C)c(NC(=O)Cc2cccs2)c1 824632881 SPZIDUHGQFEJDP-UHFFFAOYSA-N 332.425 3.532 0 50 EHAA Cc1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)nc(C)n1 825261492 VMSZKSQKVTZAIX-UHFFFAOYSA-N 333.794 3.691 0 50 EHAA CCc1nc([C@@H]2CCCCN2C(=O)c2ccc(F)c3occc23)no1 933229021 FWJVOAFBVBMCHH-AWEZNQCLSA-N 343.358 3.885 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc(C(C)(C)C)nc3)C2)c1 934823790 SSJWEKNZJRWCGH-MRXNPFEDSA-N 341.459 3.753 0 50 EHAA Cn1nc(-c2cccs2)cc1C(=O)Nc1cccc(-c2cnc[nH]2)c1 952975518 JEAXWAJRKSLUEU-UHFFFAOYSA-N 349.419 3.791 0 50 EHAA O=C1CCCCCN1CCC(=O)N1CCCCC[C@H]1c1ccco1 952990923 MXRCGDOJMUDJBB-INIZCTEOSA-N 332.444 3.516 0 50 EHAA COc1ccc(-c2ncnc(Oc3cccnc3C)c2C)cc1OC 1239614563 ULJHMTNFJIUMJU-UHFFFAOYSA-N 337.379 3.965 0 50 EHAA COc1ccc(S(=O)(=O)Nc2ccccc2Cl)c2cccnc12 140406 LQAKWNIJGLKVOT-UHFFFAOYSA-N 348.811 3.698 0 50 EHAA Cc1cnn(-c2cc(C)nc(-c3ccc(Br)cc3)n2)c1 209500 SQLRAKWBHDQJTB-UHFFFAOYSA-N 329.201 3.709 0 50 EHAA Cc1cc(OCc2nc(-c3ccccn3)no2)ccc1Br 376886 OXBJWTRGGFXHKB-UHFFFAOYSA-N 346.184 3.782 0 50 EHAA COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Cc2ccccc2)c1 451062 KEWZTUOWSJBQDK-CABCVRRESA-N 327.424 3.760 0 50 EHAA CCN(CC)c1ccc(NC(=O)c2noc3c2C[C@H](C)CC3)cc1 2803913 SHCVSPAMBXTHNB-CYBMUJFWSA-N 327.428 3.898 0 50 EHAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Cc1ccc(C)cc1 7759443 TWXQFNUNNSNSRN-UHFFFAOYSA-N 349.434 3.945 0 50 EHAA CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccs1 8690270 DWNFGSHYXMLWFM-MRXNPFEDSA-N 339.420 3.950 0 50 EHAA O=C(NCc1ccco1)c1cccc(NC(=O)c2ccccc2F)c1 12404394 FVFRQDVFCSJNDV-UHFFFAOYSA-N 338.338 3.601 0 50 EHAA CN(C)c1cccc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)c1 12448760 HIBYJEHBVCWYCE-GOSISDBHSA-N 341.430 3.608 0 50 EHAA CCn1cc(C(=O)N2CCC[C@H](CCc3ccccc3F)C2)cn1 12469435 HKSKHMIDHNEOPE-OAHLLOKOSA-N 329.419 3.527 0 50 EHAA CCc1ccc([C@H]2C[C@H](c3cccc(OC)c3)n3nc(N)nc3N2)cc1 13131308 IIALCKIGVJGAKS-QZTJIDSGSA-N 349.438 3.578 0 50 EHAA Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nncs1 13329634 RDPPSLBNERGFQN-UHFFFAOYSA-N 338.751 3.546 0 50 EHAA Cc1cccc(OCC(=O)Nc2nc(-c3ccc(C)s3)ns2)c1 32593433 HQZUEHCCZYFXCT-UHFFFAOYSA-N 345.449 3.901 0 50 EHAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1C 33086968 BPFXZDRFQPNFKF-KRWDZBQOSA-N 348.468 3.941 0 50 EHAA CC(C)C/C=C(/CN1CCC(n2cc([C@@H](C)O)nn2)CC1)C(C)C 55358395 HVHLPBDZCIBEPG-TYJIQLQKSA-N 334.508 3.597 0 50 EHAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)C2=Cc3ccccc3OC=C2)C1 67981863 GQMPYWRYQMBXLV-GOSISDBHSA-N 349.434 3.668 0 50 EHAA O=C1CC[C@]2(CCCO2)CCN1Cc1csc(-c2ccccc2)n1 72165285 AJALIQURVKHWDA-LJQANCHMSA-N 342.464 3.872 0 50 EHAA Cc1nccn1[C@@H](C)C(=O)N(C)Cc1csc(-c2ccccc2)n1 72432337 QNIWJZYYOQWCKT-ZDUSSCGKSA-N 340.452 3.535 0 50 EHAA O=C(c1ccnc2ccccc12)N1CC(Oc2ccccc2Cl)C1 82134980 GXLUDELRTXPKTE-UHFFFAOYSA-N 338.794 3.792 0 50 EHAA C[C@H](Cc1cncs1)NC(=O)COc1ccc(Cl)cc1Cl 91493121 YVTKLHOSVBRSIR-SECBINFHSA-N 345.251 3.576 0 50 EHAA O=C1CCCN1CCN1CCCC(c2ccccc2)(c2ccccc2)C1 95496911 BAQFHASDPKSJID-UHFFFAOYSA-N 348.490 3.691 0 50 EHAA C[C@H](c1ccc(C(=O)NCCc2cccc(F)c2)o1)N1CCCCC1 97402523 AHFDJJNMZPYYDO-OAHLLOKOSA-N 344.430 3.938 0 50 EHAA Cn1cnc2cc(C(=O)NC3(c4ccccc4Cl)CC3)ccc21 97797230 ZNBXKPYKJHVMHV-UHFFFAOYSA-N 325.799 3.646 0 50 EHAA O=C(CC(F)(F)F)N(Cc1csc(Br)c1)C1CC1 162053065 KWRDDQMHHJWVCD-UHFFFAOYSA-N 342.180 3.954 0 50 EHAA Clc1cccc(O[C@@H]2CCN(Cc3nnc(-c4ccco4)o3)C2)c1 179032447 GPEKWCXENZKTHG-CQSZACIVSA-N 345.786 3.636 0 50 EHAA C[C@@H](CNC(=O)N[C@H]1CC(C)(C)c2ccccc21)c1nccs1 184269384 KSDMUONUEKLXJJ-WFASDCNBSA-N 329.469 3.968 0 50 EHAA FC(F)(F)c1cccc([C@H]2CSCCN2Cc2csnn2)c1 186506675 XMCLCONGMYMAPR-CYBMUJFWSA-N 345.415 3.847 0 50 EHAA COc1cc(NC(=O)N2CCSC[C@@H](C)C2)ccc1OC(C)C 192268943 LQGQLLJBCSIDKA-ZDUSSCGKSA-N 338.473 3.699 0 50 EHAA Cc1c(NS(=O)(=O)c2ccc(Cl)s2)cnn1C1CCCC1 194226412 DJMGGSAPNSPPCM-UHFFFAOYSA-N 345.877 3.822 0 50 EHAA COC(=O)C[C@@](C)(NCc1ccc(C)c(Cl)c1)c1ccncc1 194733832 QBUXGWCEVHTJHY-GOSISDBHSA-N 332.831 3.612 0 50 EHAA CCn1ccc(C(=O)NCCCSCc2ccc(Cl)cc2)n1 215581160 GVNUSBCKHGUNLN-UHFFFAOYSA-N 337.876 3.610 0 50 EHAA COc1ccc(F)c(F)c1C(=O)N[C@@H]1CCCc2sc(C)nc21 220193547 FGQQSPJWSLAIIF-SNVBAGLBSA-N 338.379 3.546 0 50 EHAA Cc1ccc2c(CCNC(=O)c3oc(CC(C)C)nc3C)c[nH]c2c1 239761238 CJGHGOPKEVCJSR-UHFFFAOYSA-N 339.439 3.944 0 50 EHAA CON(C)C(=O)c1cc(F)ccc1NC(=O)C[C@@H]1CCC[C@@H](C)C1 240534497 GOCCOEPSAPAJNA-CHWSQXEVSA-N 336.407 3.614 0 50 EHAA C[C@H](CC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1)[C@@H]1CCCNC1 252536176 HTUGCFWMWWSOBB-SKWUIDRYSA-N 332.463 3.604 0 50 EHAA CCC[C@]1(C(F)(F)F)CCCN1C(=O)C[C@H](C)N1CCCCC1=O 253393198 WFAXDFADNWECBR-XJKSGUPXSA-N 348.409 3.501 0 50 EHAA Fc1cccc2c1OCCC[C@@H]2NCc1ccc(-c2cc[nH]n2)o1 328588654 UHYRLRPUBYKTGH-HNNXBMFYSA-N 327.359 3.812 0 50 EHAA COc1cccc([C@@H]2C[C@H](C)CN2c2ncnc3c2ncn3C2CC2)c1 330307707 SIWRQFVWEILTKV-GUYCJALGSA-N 349.438 3.757 0 50 EHAA CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)c3ccccc32)C1(CC)CC 332750474 UDATYJRTUAHQSF-QXAKKESOSA-N 343.467 3.847 0 50 EHAA Cn1c(N2CCC(OCC3CCCC3)CC2)nc2c(F)cccc21 354161661 GMLIXMCNAREJLD-UHFFFAOYSA-N 331.435 3.888 0 50 EHAA COc1ccc2c(c1)[C@H](C)CN(C(=O)c1ccc(Cl)nc1)CC2 374440767 XWQWCEACRWCGPA-GFCCVEGCSA-N 330.815 3.546 0 50 EHAA CC(=O)c1nn(C(C)(C)C)cc1OCC(=O)Nc1cccc(Cl)c1 408516249 GVVUNTWRAXSHDW-UHFFFAOYSA-N 349.818 3.512 0 50 EHAA O=C(NCCc1ccco1)N(Cc1cccnc1)C1CCCCC1 426730452 SPSFNNMSHWAAOA-UHFFFAOYSA-N 327.428 3.762 0 50 EHAA CCc1cc(N2CCCC[C@H]2c2ccc(F)cc2F)n2ncnc2n1 432052634 AYDAJDYDDOXFFM-INIZCTEOSA-N 343.381 3.697 0 50 EHAA Cc1ccc2c(=O)n(C3(c4cc(F)ccc4F)CC3)cnc2c1C 584892716 JHJPVLGSRDUAPQ-UHFFFAOYSA-N 326.346 3.829 0 50 EHAA COC(=O)CCc1ccc(NC(=O)N2CCC(=C(F)F)CC2)cc1 888095803 GYNUYHWZWZPAFB-UHFFFAOYSA-N 338.354 3.571 0 50 EHAA O=C(NCc1cc2ccccc2o1)Nc1ccc2c(=O)[nH]ccc2c1 1476850104 GMXQAAQURVFYMZ-UHFFFAOYSA-N 333.347 3.596 0 50 EHAA COc1cc(O)ccc1-c1nccn1C[C@@H]1CCCN2CCCC[C@H]12 1857686802 ILJWBKJZRPBYPM-MAUKXSAKSA-N 341.455 3.529 0 50 EHAA O=C(O)c1ccc([C@@H]2CCCN2Cc2cc(C(F)F)on2)s1 2325790438 LOSLWNQVLXTFRQ-VIFPVBQESA-N 328.340 3.709 0 50 EHAA Cc1csc(C[C@@H]2CCCN2C(=O)N[C@@H]2CCC3(CCC3)C2)n1 2325791741 CQTWHESVYSWEJT-CABCVRRESA-N 333.501 3.891 0 50 EHAA NC12CC(c3noc(-c4ccccc4Oc4ccc(F)cc4)n3)(C1)C2 2325792836 PHVPXBBBYSUHGR-UHFFFAOYSA-N 337.354 3.801 0 50 EHAA O=C(N[C@H](Cn1ccnc1)c1ccccc1)[C@H](F)c1ccc(F)cc1 2325880116 VFXVBHRUIDZUDZ-QZTJIDSGSA-N 341.361 3.591 0 50 EHAA COc1ccccc1N1CCN(C(=O)Nc2ccccc2Cl)CC1 235796 LHBDJHQZBCGQHS-UHFFFAOYSA-N 345.830 3.703 0 50 EHAA O=C(CSc1ncn(-c2ccccc2)n1)c1ccc(Cl)cc1 255645 YBEZFBQCCQOJHI-UHFFFAOYSA-N 329.812 3.896 0 50 EHAA CCN(CC)C[C@H](O)CN1c2ccccc2Sc2ccccc21 351090 HKIGNQYJMXLHTG-HNNXBMFYSA-N 328.481 3.992 0 50 EHAA O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(F)cc1 408186 HZPBZXJTKYQVCY-UHFFFAOYSA-N 328.368 3.775 0 50 EHAA CCOc1cccc(C(=O)NC(=S)Nc2cc(C)cc(C)c2)c1 457259 AJNAHIJRDUFWDS-UHFFFAOYSA-N 328.437 3.829 0 50 EHAA O=C(CSc1ccc(Br)cc1)NCc1ccccc1 470472 SUHGJTPHPRPNEJ-UHFFFAOYSA-N 336.254 3.858 0 50 EHAA COc1ccc(Cl)cc1-c1nnc(S)n1Cc1ccccc1 477208 NOOQIZVANABYFI-UHFFFAOYSA-N 331.828 3.944 0 50 EHAA O=C(NC(=S)NCc1ccco1)c1ccc(-c2ccccc2)cc1 1077661 MYEPCSUJLJKZTC-UHFFFAOYSA-N 336.416 3.751 0 50 EHAA CCCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 2844342 GXIRFYZSQLSJHK-ATVHPVEESA-N 325.339 3.959 0 50 EHAA COc1cccc(-c2nc(=S)c3c(n2CCCO)CCCC3)c1 2865555 ATKNXCHQVTYOQC-UHFFFAOYSA-N 330.453 3.549 0 50 EHAA COC(=O)c1ccc(C)c(NC(=O)c2ccccc2Br)c1 3555979 JQNKZASEDTVJPR-UHFFFAOYSA-N 348.196 3.796 0 50 EHAA FC(F)(F)c1cc(-c2ccc(-n3ccnc3)cc2)nc2ccnn12 6402531 UTQFRZDWUAOAGM-UHFFFAOYSA-N 329.285 3.601 0 50 EHAA O=C(CCc1ccco1)N1CCO[C@H](Cc2cccc3ccccc23)C1 11879956 FLPNNKHMLHDTMT-HXUWFJFHSA-N 349.430 3.836 0 50 EHAA O=c1/c(=C\c2cccc(Cl)c2Cl)sc2nc3ccccc3n12 12360475 FGDXEDWPXWYNDK-MDWZMJQESA-N 347.226 3.764 0 50 EHAA Cc1ccc(OCc2nnc(S)n2Cc2ccccc2)cc1C 12462266 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341.451 3.991 0 50 EHAA CC[C@H](C(=O)NCc1ccc(-c2ccccc2Cl)o1)N(C)CC 952974772 WRRCHJWPQADSMP-MRXNPFEDSA-N 334.847 3.947 0 50 EHAA COc1cc(CN(C)Cc2cc3cc(F)ccc3[nH]2)cc2c1OCO2 1506401646 NMPJWIRQYCAOPG-UHFFFAOYSA-N 342.370 3.676 0 50 EHAA COc1ccc(F)cc1CN1C[C@@H]2CC[C@H](C1)CN2CC=C(C)C 1565511152 AXCULJNMSMUCDI-APWZRJJASA-N 332.463 3.697 0 50 EHAA Cc1csc(CN2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n1 1565526725 CUYUWXVXGVBALK-MOPGFXCFSA-N 338.476 3.955 0 50 EHAA COc1cc(C)c(-c2cncc([C@H]3OCC[C@@H]3C(=O)O)c2)cc1C 1857527424 HYRCATYRNIPKEW-MAUKXSAKSA-N 327.380 3.536 0 50 EHAA C[C@@H](c1nc(-c2cc(F)cc(F)c2)no1)n1ccc(C(F)(F)F)n1 1875313386 PWLPUGHYSBLDGE-ZETCQYMHSA-N 344.243 3.839 0 50 EHAA Cc1cccc(-c2nc(-c3cc4n(n3)CCCC4)n(CC3CC3)n2)c1 1875348224 JSKWZRGMIJYQSY-UHFFFAOYSA-N 333.439 3.863 0 50 EHAA CC(C)c1nc(O)ccc1C(=O)N1CCCC[C@@H]1c1nccs1 1940197811 SUKZLCASCIAKTM-CYBMUJFWSA-N 331.441 3.735 0 50 EHAA COc1cc(OC)c2sc(NC(=O)NC3CC(C4CC4)C3)nc2c1 2325827054 UFPYCPYCACOZAQ-UHFFFAOYSA-N 347.440 3.624 0 50 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CCn1ccc2ccc(NC(=O)c3c[nH]c(=O)c4ccccc34)cc21 225541463 OUABDBDUHPDWJC-UHFFFAOYSA-N 331.375 3.755 0 50 EHAA O=C(N[S@@](=O)Cc1ccccc1)c1cccc(-c2ccoc2)c1 225692405 XXGIFVTWNIJEAQ-QHCPKHFHSA-N 325.389 3.540 0 50 EHAA CSc1ccc(CN(Cc2ccc(C(=O)N(C)C)o2)C2CC2)cc1 244602083 DXFOIBHCODBCOQ-UHFFFAOYSA-N 344.480 3.868 0 50 EHAA COc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(C)n1 252478888 AWUIDTGIFQWFPQ-GFCCVEGCSA-N 345.365 3.841 0 50 EHAA CCC[C@@]1(C(F)(F)F)CCCN1C(=O)C[C@@H](C)N1CCCCC1=O 253393196 WFAXDFADNWECBR-CJNGLKHVSA-N 348.409 3.501 0 50 EHAA Cc1ncncc1C(=O)N1CCCCc2cc(Br)ccc21 253422969 NKOJLYLCXZSFNI-UHFFFAOYSA-N 346.228 3.531 0 50 EHAA CCCn1nccc1C(=O)NCC1(c2ccccc2F)CCCC1 299783267 ZQDFOQVUUYUNKJ-UHFFFAOYSA-N 329.419 3.674 0 50 EHAA CC(C)(C)c1cccc2c1OCCN2C(=O)c1cccc(C(=N)O)c1 332211435 IWXCNEQQRGWAAR-UHFFFAOYSA-N 338.407 3.907 0 50 EHAA Cn1cc(/C=C(\CC(=O)O)c2nc3ccccc3o2)c(C(F)F)n1 359153267 DZDMHKKJONZIQP-RMKNXTFCSA-N 333.294 3.514 0 50 EHAA Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NC[C@@H]1CCCC1(C)C 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O=C(Nc1ncn(Cc2ccc(F)cc2Cl)n1)c1ccc(F)cc1 2794116 UCDMXQQQMOEHKX-UHFFFAOYSA-N 348.740 3.510 0 50 EHAA CN(C)C(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 3100269 RLHASBMVLBWNCQ-UHFFFAOYSA-N 332.425 3.564 0 50 EHAA CCOc1nc(Nc2ccc(Cl)cc2)nc(N2CCCCC2)n1 4030587 QBRDAQRSOCNADN-UHFFFAOYSA-N 333.823 3.658 0 50 EHAA O=C(CCC1CCCC1)NCc1nc(-c2ccc(Cl)cc2)no1 4513131 XLGZPWHXZDPCDT-UHFFFAOYSA-N 333.819 3.977 0 50 EHAA [O-][n+]1cccc(C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 4716445 FXPNZVNSNAINNW-UHFFFAOYSA-N 346.213 3.911 0 50 EHAA C[C@H](NC(=O)c1ccccc1Br)c1ccc2c(c1)OCO2 4748952 HSVWFVIEWUQEKZ-JTQLQIEISA-N 348.196 3.669 0 50 EHAA CC(C)(C)c1ccc(S(=O)(=O)Nc2noc3ccccc23)cc1 6800803 KYSDPZQESWJPLY-UHFFFAOYSA-N 330.409 3.926 0 50 EHAA CCCOc1cccc(C(=O)Nc2cccc(OCCOC)c2)c1 10155330 YSILTHKXFZQVTO-UHFFFAOYSA-N 329.396 3.753 0 50 EHAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 12138231 ZYBVHISUAJGQRI-UHFFFAOYSA-N 328.799 3.828 0 50 EHAA CC(C)(C)C(=O)N1CCC(C(=O)Nc2nc3ccccc3s2)CC1 12381271 MLSREOYPZIHMRF-UHFFFAOYSA-N 345.468 3.520 0 50 EHAA COc1cccc(CC[C@@H]2CCCN(C(=O)c3ccc(OC)o3)C2)c1 12707055 DSCAPWCJJPXEJH-INIZCTEOSA-N 343.423 3.782 0 50 EHAA COc1ccc(CCNC(=O)c2ccc(N3CCCCC3)cc2)cc1 14401601 AVCGQUAYNSDIJI-UHFFFAOYSA-N 338.451 3.658 0 50 EHAA CCC(CC)C(=O)NC[C@@H]1Cc2cc(C)cc(-c3ccccn3)c2O1 15070723 GNARTPVMZVMGHI-KRWDZBQOSA-N 338.451 3.913 0 50 EHAA CCCCCCOc1ccc(Cl)cc1C(=O)N1CCN(C)CC1 43190868 DQZHJQWTENFYGX-UHFFFAOYSA-N 338.879 3.687 0 50 EHAA COc1ccc(C(=O)N(C)Cc2ccccc2OCC(C)C)cc1O 55168481 DFBSHEQQYYJBLX-UHFFFAOYSA-N 343.423 3.708 0 50 EHAA CCc1nc(C)c(C(=O)Nc2c(C)c(CC)nn2-c2ccccc2)o1 55282552 UASDADBPGOGWRS-UHFFFAOYSA-N 338.411 3.854 0 50 EHAA COCc1nc(C)c(CNC(=O)c2oc3ccc(C)cc3c2C)s1 65372517 VKWKZKZXFWOKEK-UHFFFAOYSA-N 344.436 3.891 0 50 EHAA CC[C@H](c1ccc(OC)cc1)N(CC)C(=O)C1(Cn2ccnc2)CC1 65383613 OQRXDCJFTRNVQS-GOSISDBHSA-N 341.455 3.672 0 50 EHAA CCc1nc(C)sc1CNC(=O)[C@H](CC)Nc1cccc(OC)c1 65491080 JJYPSTKANZRRBY-INIZCTEOSA-N 347.484 3.529 0 50 EHAA COc1cccc(Cn2ccnc2[C@H]2CCOC(C)(C)C2)c1OC 67714783 BXYBLSICESOXCW-AWEZNQCLSA-N 330.428 3.621 0 50 EHAA CC(=O)Nc1ncccc1OCc1nc(-c2sccc2C)oc1C 67983320 GPQASUXCHSOHKY-UHFFFAOYSA-N 343.408 3.952 0 50 EHAA Cc1cc2c(N3CCC[C@H](OCc4cccnc4)C3)ncnc2s1 77421545 FUSNVLIGJODXJY-HNNXBMFYSA-N 340.452 3.580 0 50 EHAA Cc1ccccc1SC1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 82157762 WJVOTXDZEXTWCU-MRXNPFEDSA-N 343.496 3.926 0 50 EHAA COc1ccc(NC(=O)NC[C@H](c2cccc(C)c2)N(C)C)c(C)c1 96166028 GBPSMEYDLWIZBJ-LJQANCHMSA-N 341.455 3.736 0 50 EHAA c1ccc(CCN2CCC(N[C@@H]3CCN(c4ccccc4)C3)CC2)cc1 151507506 NDHVKMMDDQDMQO-JOCHJYFZSA-N 349.522 3.562 0 50 EHAA O=C(Nc1nc2c(s1)CCCC2)N[C@@H](CCCO)c1ccccc1 172689123 RVEVMYVHUDVXGG-AWEZNQCLSA-N 345.468 3.657 0 50 EHAA CC[C@H]1Cc2ccccc2CN1C(=O)C[C@@H](C)c1c(C)n[nH]c1C 183851388 KQABHTRTMBDEGV-ACJLOTCBSA-N 325.456 3.884 0 50 EHAA CC(C)(C)N(Cc1ccccn1)C(=O)c1cnc(-c2ccccc2)nc1 191705020 LUWZBYNHSJSYOG-UHFFFAOYSA-N 346.434 3.980 0 50 EHAA O=C(c1[nH]nc2c1CCCC2)N1CCC[C@@H]1c1ccc(Cl)cc1 192871611 JOIBHUKVRNYDGV-MRXNPFEDSA-N 329.831 3.919 0 50 EHAA Nc1nc(CCCNC(=O)C2(c3ccc(Cl)cc3)CCC2)cs1 223403462 UZDNXMCXPJQIJJ-UHFFFAOYSA-N 349.887 3.549 0 50 EHAA OCCN(Cc1ccc(Cl)c2cccnc12)C1CCSCC1 225520063 ZVCXHFSPOIDNMC-UHFFFAOYSA-N 336.888 3.578 0 50 EHAA C[C@@H]1CCCCN1C1CN(Cc2ccc(CN3CCCCC3)s2)C1 244894030 YYSCVZPXYYWMJP-QGZVFWFLSA-N 347.572 3.793 0 50 EHAA CCN(C)c1ccc(CN[C@@H]2CCCOc3c(F)cccc32)cn1 252487490 HWWLZFYYEWQQEU-QGZVFWFLSA-N 329.419 3.680 0 50 EHAA Cc1nc(-c2cccc(C(=O)O[C@@H]3CCN4CCC[C@@H]4C3)c2)cs1 252502974 UWDUJTYKGHHOSE-IAGOWNOFSA-N 342.464 3.902 0 50 EHAA O=C(O)c1nc(/C=C/c2ccccc2F)sc1Br 253426128 OYZALHSAZLKHLS-AATRIKPKSA-N 328.162 3.913 0 50 EHAA O=C(Nc1ccc(CC(F)(F)F)cc1)N1CC[C@H]([C@@H]2CCOC2)C1 253428237 CHLCCYWOIAQGFC-UONOGXRCSA-N 342.361 3.682 0 50 EHAA COc1cc(Cl)c(CNC[C@H](CC(C)C)C(=O)O)cc1Cl 263514737 ZELGIFGMQQCWDT-NSHDSACASA-N 334.243 3.839 0 50 EHAA Cc1coc(C)c1C(=O)Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1 339889505 DCAPCVQKBMJKFM-UHFFFAOYSA-N 349.452 3.862 0 50 EHAA C[C@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)C1CCC(C)(C)CC1 408273760 GAWUHUWLCUGLTF-CQSZACIVSA-N 343.533 3.550 0 50 EHAA CC(C)Oc1ccc(NC(=O)c2ccc(C(=O)O)cc2F)c(F)c1 478840950 KGVVEWHHOOMRIT-UHFFFAOYSA-N 335.306 3.703 0 50 EHAA CCOc1ccc([C@H](CC)NC(=O)N2CCC3(CCCO3)CC2)cc1 534656588 HLTCHEBHATUBQN-SFHVURJKSA-N 346.471 3.891 0 50 EHAA CC[C@@H](NC(=O)N(C)Cc1noc2c1CCCC2)c1cc(C)ccn1 584891801 VZVBCIOWXZSSAO-OAHLLOKOSA-N 342.443 3.550 0 50 EHAA C[C@]1(c2cccc(F)c2)CCN(c2nnc(C3CCOCC3)s2)C1 651375453 FFLLQUHZYJBURG-SFHVURJKSA-N 347.459 3.739 0 50 EHAA COCC1(C2CCC2)CN(C(=O)N[C@@H]2CCCc3c(F)cccc32)C1 664973973 JTRRPCYWHMRLBG-GOSISDBHSA-N 346.446 3.661 0 50 EHAA CCc1nccn1CCCNC(=O)C1(c2ccccc2)CCCCC1 823557161 DVLARCVUWVKOPH-UHFFFAOYSA-N 339.483 3.854 0 50 EHAA Cc1ccc(S(=O)(=O)N[C@@H](CC(C)(C)C)c2cccnc2)s1 825199796 QZZCQEBHDREWJZ-AWEZNQCLSA-N 338.498 3.907 0 50 EHAA COCc1ccc([C@@H]2COCCN2C(=O)c2sccc2C2CC2)o1 906229245 KKVRYXGIYQOGNQ-HNNXBMFYSA-N 347.436 3.579 0 50 EHAA COc1cccc(-c2cc(NC(=O)C[C@@H]3CCCC3(F)F)n(C)n2)c1 935143302 GRSFHMPNTWDCRZ-ZDUSSCGKSA-N 349.381 3.860 0 50 EHAA C[C@H](NCc1cc(F)c(F)c(F)c1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 952966090 IBZGZWQLGYLZCP-QQYVOCBCSA-N 339.401 3.913 0 50 EHAA NCc1nc(C(=O)Nc2cccc(-c3ccc(Cl)cc3)c2)co1 952975078 DEMKTMSBHYBZQS-UHFFFAOYSA-N 327.771 3.706 0 50 EHAA O=C(NC[C@@H]1CC[C@H]2C[C@@H]2C1)c1c[nH]nc1-c1ccc(Cl)cc1 1148636677 JWGULUKYINNWGH-XBFCOCLRSA-N 329.831 3.896 0 50 EHAA COc1c(F)cccc1-c1nccn1[C@H]1CCOC2(CCOCC2)C1 1857740702 VOFDUZXHPHEDDV-AWEZNQCLSA-N 346.402 3.599 0 50 EHAA Cc1ccc([C@H]2CCCCCN2C(=O)c2ccc3c(c2)CNC3=O)o1 1875280405 DTGMRENNEWGJBL-QGZVFWFLSA-N 338.407 3.589 0 50 EHAA CC1(CNC(=O)Nc2cccnc2OC(F)F)Cc2ccccc2C1 1875317919 GGLXCBYPGIJYGH-UHFFFAOYSA-N 347.365 3.610 0 50 EHAA C[C@@H](NCc1ccc2ccn(C)c2c1)c1cnn(-c2ccccc2)n1 2325858622 UTYUUFHPEPOXEK-OAHLLOKOSA-N 331.423 3.610 0 50 EHAA Cc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1 1105 UJNWGFBJUHIJKK-UHFFFAOYSA-N 331.463 3.908 0 50 EHAA CCOC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 226818 DPXRIGGLPDJAJL-WCQYABFASA-N 339.317 3.720 0 50 EHAA S=C(Nc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 278631 KWLLTALRNZNYQU-UHFFFAOYSA-N 331.872 3.859 0 50 EHAA O=C(O)c1ccc2c(=O)n(CCC3=CCCCC3)c(=S)[nH]c2c1 314190 APONMDZECNHUSE-UHFFFAOYSA-N 330.409 3.648 0 50 EHAA COc1cc(NC(=O)COc2ccc(C)cc2C)c(OC)cc1Cl 444941 MQWSSLOTIJCELE-UHFFFAOYSA-N 349.814 3.992 0 50 EHAA Cc1ccc(Oc2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 461851 MGMCLSRQWGSZBY-INIZCTEOSA-N 337.375 3.562 0 50 EHAA CC(C)c1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1 4868337 BQEDFUJIGIYOSK-UHFFFAOYSA-N 330.815 3.718 0 50 EHAA O=C1[C@H]2CS[C@H](c3cccs3)N2C(=S)N1C1CCCCC1 6883953 FECLDQJPGTUCRJ-BXUZGUMPSA-N 338.523 3.624 0 50 EHAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(Br)cc1Cl 13845447 MGBZXEPJVNQDGV-AOOOYVTPSA-N 342.620 3.782 0 50 EHAA CC(C)C[C@@H](NC(=O)c1c[nH]c2ccccc12)c1nnc2ccccn12 20739228 BHUZXDHVVYPFTH-QGZVFWFLSA-N 347.422 3.728 0 50 EHAA Cc1cnc(C)c(-c2cccc(-c3ccn(Cc4cc(C)on4)n3)c2)n1 23214734 VZXXJSXLVMNWNK-UHFFFAOYSA-N 345.406 3.969 0 50 EHAA CCC1=NO[C@H](Cn2ccc(-c3cccc(-c4cnccn4)c3)n2)C1 23580683 VARMWEACOOYKFI-KRWDZBQOSA-N 333.395 3.562 0 50 EHAA COc1cccc(-c2noc3c2CN(C2Cc4ccccc4C2)CC3)c1 39461303 UAFCBAPCOIPRIZ-UHFFFAOYSA-N 346.430 3.876 0 50 EHAA CC[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(C)cc1 44900299 KOUQTHVLLRBJJK-HXUWFJFHSA-N 338.451 3.713 0 50 EHAA C[C@H]1CCCN1Cc1ccccc1-c1nc(C(C)(C)C)cc(=O)[nH]1 48379508 FBEPDOIBIXZJMW-AWEZNQCLSA-N 325.456 3.719 0 50 EHAA CC[C@H](Nc1cccc(OC)c1)C(=O)NCc1cc2ccccc2[nH]1 55061009 YLWFLJGSQYDYIB-SFHVURJKSA-N 337.423 3.683 0 50 EHAA CCSc1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 55703831 FBYUSBCFCLMXIX-ZDUSSCGKSA-N 332.469 3.528 0 50 EHAA O=C(NCc1cccc(CN2CCCC2)c1)Nc1cccnc1Cl 65788984 BFEHIJCUQDYCMB-UHFFFAOYSA-N 344.846 3.653 0 50 EHAA COc1ccc2cc(CN(C)Cc3sccc3C)c(=O)[nH]c2c1 67847362 DGSWYQPTKOFOLE-UHFFFAOYSA-N 328.437 3.539 0 50 EHAA COc1ccc(-c2nc(Cn3nc(C)cc3C)c(C)o2)c(OC)c1C 67895644 MKIKRPPGIKAKMZ-UHFFFAOYSA-N 341.411 3.837 0 50 EHAA COC(=O)CCCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71388629 JOQYQDGFRARWJT-HNNXBMFYSA-N 346.254 3.710 0 50 EHAA CCOc1cc(-c2nccn2[C@@H](C)c2nc(CC)no2)ccc1OC 71755331 HXRNUWFXUVTVDN-LBPRGKRZSA-N 342.399 3.512 0 50 EHAA CC(C)c1cc(C(=O)N[C@H](C)c2cnn(-c3ccccc3F)c2)no1 85532813 LIFHZFSVZAHHSJ-GFCCVEGCSA-N 342.374 3.614 0 50 EHAA COc1cccc(OC2CN(C(=O)c3cc(C)ccc3Cl)C2)c1 91440684 NRWPIPAWDXHMTR-UHFFFAOYSA-N 331.799 3.560 0 50 EHAA CCCc1nc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)cs1 91444666 NYTQVMZQYBKFEX-HNNXBMFYSA-N 346.500 3.686 0 50 EHAA Cc1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnc2C)c(F)c1F 91872533 YJRZNFXQRUYSPH-OAHLLOKOSA-N 347.409 3.863 0 50 EHAA Cc1ccc2nccc(N(C)Cc3nc(-c4ccccn4)no3)c2c1 96163648 KINXPYOHDJUFKK-UHFFFAOYSA-N 331.379 3.625 0 50 EHAA C[C@H](NC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1cc2ccccc2o1 123814606 ZAHDBDUFQPASAB-QITLCBANSA-N 328.412 3.751 0 50 EHAA Fc1ccc(-c2noc([C@H]3CCCN3c3nccs3)n2)cc1F 125461660 GABPPJHYQQIPRR-GFCCVEGCSA-N 334.351 3.813 0 50 EHAA CCC(CC)(NC(=O)c1cn2cccnc2n1)c1ccc(Cl)cc1 170617342 PUTWKCJFRDSREP-UHFFFAOYSA-N 342.830 3.828 0 50 EHAA O=C(C[C@H]1CCOc2ccccc21)Nc1ccnn1-c1ccccc1 174198426 OMTYTAUHRQYZSH-OAHLLOKOSA-N 333.391 3.767 0 50 EHAA c1ccc(-c2ncc(CN3CCC(Oc4cccnc4)CC3)cn2)cc1 215550469 QQFGUWRVNLWUAY-UHFFFAOYSA-N 346.434 3.582 0 50 EHAA CCc1nnc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)o1 220634369 IFRIWMYIFKGELD-UHFFFAOYSA-N 337.379 3.697 0 50 EHAA CCc1nc(C2(NCc3cnc(C(C)(C)C)s3)CCCC2)no1 237031526 CXCBCAITRMDLCH-UHFFFAOYSA-N 334.489 3.945 0 50 EHAA COc1ncccc1CN1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 247849786 OGQREFCUYIEPHS-RTWAWAEBSA-N 348.446 3.594 0 50 EHAA c1ccc(COc2ccc(-c3noc(CC[C@H]4CCNC4)n3)cc2)cc1 261882112 WMESOZPHRFBZDM-INIZCTEOSA-N 349.434 3.858 0 50 EHAA CC(C)(C)c1csc(C2CCN(C(=O)c3ccncc3F)CC2)n1 265927005 WOWYRNLLGZUAQT-UHFFFAOYSA-N 347.459 3.995 0 50 EHAA COC1(c2nc(Cc3ccccc3)no2)CCN(CC=C(C)C)CC1 284549740 STVYQQFXDRFPHJ-UHFFFAOYSA-N 341.455 3.564 0 50 EHAA C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1c(Cl)cncc1Cl 354941110 JDSSRNJBYDVUFM-WJWGPLDTSA-N 341.169 3.780 0 50 EHAA Cc1ccc(CCNC(=O)N(C)[C@H](C)Cc2ccccn2)c(C)c1 584897350 KTAZMIVUBPNRPU-QGZVFWFLSA-N 325.456 3.514 0 50 EHAA O=C(Nc1ccccc1OCCCc1ccccc1)c1ccnnc1 885939227 YJGZQHZNBMICBJ-UHFFFAOYSA-N 333.391 3.741 0 50 EHAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cccc3ccoc23)C1 888102750 KKSMIFYMABIYEA-SJORKVTESA-N 325.412 3.735 0 50 EHAA Cc1ncc2c(n1)CCC[C@@H]2NC(=O)N(C)Cc1c(C)cccc1C 893066644 VMSMKYFTJXYQDC-IBGZPJMESA-N 338.455 3.621 0 50 EHAA COc1ccc(-c2ccc(CNCCCn3nc(C)cc3C)o2)cc1 952985433 BSXRXQAXAILPJE-UHFFFAOYSA-N 339.439 3.948 0 50 EHAA CCCCCCOc1ccc(-c2nnc(CCn3ccnn3)o2)cc1 1330071064 TWFDTUARNNANPP-UHFFFAOYSA-N 341.415 3.530 0 50 EHAA Oc1ccc(-c2nn3cnnc3c3ccccc23)cc1OC(F)(F)F 1772711015 VMCCZMWKVADLDH-UHFFFAOYSA-N 346.268 3.549 0 50 EHAA Cc1ccc(Cc2ccccc2C(=O)N2CCC(C3(O)CC3)CC2)cc1 1772814965 FWEZQAPFGDOULX-UHFFFAOYSA-N 349.474 3.963 0 50 EHAA C[C@H](CNC(=O)c1cc(N(C)C)nc2ccccc12)c1ccsc1 1875258510 HZHZQZCJKIZNCX-CYBMUJFWSA-N 339.464 3.896 0 50 EHAA Cc1cccc2cc(C(=O)N3Cc4cnn(-c5ccccc5)c4C3)[nH]c12 1875259002 QBRAUBXORNMFPD-UHFFFAOYSA-N 342.402 3.818 0 50 EHAA CCN(c1cccnc1C)S(=O)(=O)c1ccccc1C(F)F 1875280066 SDVQVGOOPHDKLH-UHFFFAOYSA-N 326.368 3.543 0 50 EHAA C=CC(=O)N(C)c1ccc(C(=O)N2CC3(CCC3)C[C@@H]2CC)cc1 1875373420 AITFPCFVIGFKPX-INIZCTEOSA-N 326.440 3.630 0 50 EHAA Cc1ccc([C@]23C[C@@H]2CN(C(=O)c2cc4c(C)cccn4c2)C3)cc1 1875405856 QBDULXIHRGBSAP-DENIHFKCSA-N 330.431 3.970 0 50 EHAA CC(C)c1nc([C@H]2CCCCCN2C(=O)[C@H](C)C[C@@H]2CCCO2)no1 2325757296 QXAIYUHBVQSDHM-OWCLPIDISA-N 349.475 3.842 0 50 EHAA COc1ccc2c(c1)N([C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@@H]2C 2325793718 FWHQFHHDUVCLAA-KBPBESRZSA-N 345.464 3.783 0 50 EHAA Cc1ccccc1C[C@@H](CO)CN[C@H](C)Cc1c[nH]c2ccccc12 2325841768 FTTYZXYYALDJQY-QZTJIDSGSA-N 336.479 3.848 0 50 EHAA Cc1ccccc1C[C@H](CO)CN[C@@H](C)Cc1c[nH]c2ccccc12 2325841769 FTTYZXYYALDJQY-ROUUACIJSA-N 336.479 3.848 0 50 EHAA C[C@@H](CCc1ccc(Br)cc1)Nc1nccn2cncc12 2325854628 NLWKUXOZXOQUSY-LBPRGKRZSA-N 345.244 3.925 0 50 EHAA Cc1c(NC(=O)c2ccc3cccc(CN)c3c2)nc2ccccn12 2325858712 XVXLFJDMCQWEPG-UHFFFAOYSA-N 330.391 3.507 0 50 EHAA CCOc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 74688 KVXOLAWXQSXRSW-UHFFFAOYSA-N 345.342 3.905 0 50 EHAA O=C(NCC1(c2ccccc2)CCOCC1)c1cc2ccccc2o1 185006 UCOQGZSBOSBGJM-UHFFFAOYSA-N 335.403 3.911 0 50 EHAA O=C(NCc1cccnc1)c1cccc2c(Br)cccc12 452783 PEGONJPUYIZZSN-UHFFFAOYSA-N 341.208 3.927 0 50 EHAA CC(C)C(=O)NCCc1nc2ccccc2n1Cc1ccc(F)cc1 619416 NFCXLRWYJRAGKI-UHFFFAOYSA-N 339.414 3.538 0 50 EHAA CC(C)(C)[C@@H](O)[C@H](Oc1ccc(-c2ccccc2)cc1)n1cncn1 967748 VGPIBGGRCVEHQZ-OALUTQOASA-N 337.423 3.930 0 50 EHAA biogenic,in-vitro CC(C)(C)OC(=O)N[C@H](C(=O)O)C(c1ccccc1)c1ccccc1 2556726 TYJDOLCFYZSNQC-KRWDZBQOSA-N 341.407 3.796 0 50 EHAA in-vitro CCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Cl)cc1 4839533 PSLOABUEMRFAHD-UHFFFAOYSA-N 330.815 3.579 0 50 EHAA COc1ccc(OCC(=O)Nc2ccccc2N2CCCCC2)cc1 4841140 ASTRBBDWJBPONC-UHFFFAOYSA-N 340.423 3.703 0 50 EHAA Oc1ccccc1N1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 6402724 MINBHRAMVKOLFN-UHFFFAOYSA-N 347.871 3.565 0 50 EHAA CCCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 13331453 MUOJXNBRIAYNNH-UHFFFAOYSA-N 326.415 3.741 0 50 EHAA COc1cccc2cc(C(=O)NCc3ccc(Cl)cc3)c(=N)oc12 15951938 XVZYXSGHBUTRPR-UHFFFAOYSA-N 342.782 3.504 0 50 EHAA C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3)c2)C[C@@H](C)O1 16527280 NMCNIOMQGHJKDS-IYBDPMFKSA-N 325.408 3.515 0 50 EHAA Cc1ccc(NC(=O)c2cn(C)nc2C(=O)Nc2ccc(C)cc2)cc1 20617145 IHEFFUQRNVCLNW-UHFFFAOYSA-N 348.406 3.542 0 50 EHAA C[C@@H](Cc1ccccc1F)N1CCC(n2cc(C3CC3)nn2)CC1 48121617 RXOOVKAVHCLXAY-AWEZNQCLSA-N 328.435 3.563 0 50 EHAA CCn1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c(C)n1 71750338 NLZAYODWRHJHJP-KRWDZBQOSA-N 343.446 3.836 0 50 EHAA Cc1c(CN2CCC(N3CCCC3=O)CC2)[nH]c2c(Cl)cccc12 71759904 JAAOVBWIVCQMQI-UHFFFAOYSA-N 345.874 3.717 0 50 EHAA c1ccc(-c2nc3ccccn3c2CN2CCCn3cncc3C2)cc1 72130900 NMXPLISFXXUGFJ-UHFFFAOYSA-N 343.434 3.604 0 50 EHAA Oc1ccc(CC[C@H]2CCCCN2Cc2nnc(C3CC3)o2)cc1 72169306 XOTWHRBFMBNVKD-MRXNPFEDSA-N 327.428 3.640 0 50 EHAA Cc1ccc([C@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)cn1 72427288 LAACGECXKBRBCK-HNNXBMFYSA-N 326.440 3.585 0 50 EHAA CN(Cc1csc(-c2cccs2)n1)C(=O)[C@@]1(C)CCCCO1 72436048 NWSDVHPSJXEOAF-MRXNPFEDSA-N 336.482 3.789 0 50 EHAA CCCc1nc(N[C@@H](C)c2ccc(OCC)cc2)c2cnn(C)c2n1 72481013 RCOFROXNARSBEY-ZDUSSCGKSA-N 339.443 3.888 0 50 EHAA CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 73652634 AWSLVKRHDKOLLJ-MRXNPFEDSA-N 348.443 3.655 0 50 EHAA in-vitro C[C@H](C(=O)N(C)Cc1cccc2ncccc12)n1cnc2ccccc21 77523032 YTZGIISUSZWBOS-OAHLLOKOSA-N 344.418 3.804 0 50 EHAA O=C(c1ccc2nccn2c1)N(Cc1ccsc1)C1CCCC1 91305137 AZCJBFNHVYZQML-UHFFFAOYSA-N 325.437 3.981 0 50 EHAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)NC(C)(C)C)C1 91756731 GDBJQPARJBQYRO-MRXNPFEDSA-N 340.471 3.984 0 50 EHAA O=C(c1cnc(-c2ccncc2)nc1)N1CCC[C@@H]1c1ccccc1 97522615 NTMOIEVGTYYOJL-GOSISDBHSA-N 330.391 3.516 0 50 EHAA Cc1cnccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 121927067 KXUCCXFQWJDVFX-MRXNPFEDSA-N 339.395 3.530 0 50 EHAA Cc1noc(C)c1CSCC(=O)N[C@H]1CCCOc2ccccc21 133159157 CYKFROQIQHWCAJ-INIZCTEOSA-N 346.452 3.555 0 50 EHAA COc1ccc(NC(=O)CNc2cc(-c3ncco3)ccc2C)cc1 134953742 CXDURVHZELARDI-UHFFFAOYSA-N 337.379 3.709 0 50 EHAA CCO[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccccc3)n2)C12CCC2 170638770 IHACLRDBFVSHPM-HZPDHXFCSA-N 342.464 3.888 0 50 EHAA CSc1cccc(C)c1NC(=O)N1CCO[C@H](c2nccs2)C1 185007611 QYTJEESAEOWNGX-LBPRGKRZSA-N 349.481 3.779 0 50 EHAA Clc1cccc([C@@H]2CN(Cc3ccc4cn[nH]c4c3)CCO2)c1 185643687 CRUFYDQCBSHJDH-SFHVURJKSA-N 327.815 3.790 0 50 EHAA Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CCCO[C@@H]1CC(C)C 187510214 LTBPPPGGMHUPMZ-RBUKOAKNSA-N 328.456 3.729 0 50 EHAA CC(C)(C)OC(=O)N1CCC[C@@H](CCc2ccccc2)[C@H]1C(=O)O 221036046 PRZZNHCYHUYMIC-HOTGVXAUSA-N 333.428 3.720 0 50 EHAA COc1ccc(NC(=O)C2C=CC=CC=C2)cc1OCc1ccncc1 225800246 JQEBCNKCTCRUME-UHFFFAOYSA-N 348.402 3.906 0 50 EHAA COc1cc(C(=O)OCc2noc3c2CCCC3)ccc1OC(C)C 241383137 MSUJWYFBSICCEQ-UHFFFAOYSA-N 345.395 3.706 0 50 EHAA O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC[C@H]1c1cccs1 241862559 SRCBQPGZXAXEHF-FUHWJXTLSA-N 326.465 3.905 0 50 EHAA COc1ccc([C@@H](NC(=O)NCC2(C3CC3)CC2)C(F)F)cc1F 252506349 VZVQSILWJDMHQD-CQSZACIVSA-N 342.361 3.630 0 50 EHAA Cc1ccc(C)n1CCCC(=O)N1CCc2c([nH]c3ccccc23)C1 253398618 CFHZFCBATVBCJC-UHFFFAOYSA-N 335.451 3.951 0 50 EHAA biogenic CCOC1(C)CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 293747705 WARQLVRJULUIJB-UHFFFAOYSA-N 334.847 3.863 0 50 EHAA COc1cccc([C@@H]2CCN2CCC(=O)NC2CCCCCC2)c1 299776616 AOOOGPQSFIRIAC-IBGZPJMESA-N 330.472 3.671 0 50 EHAA Cc1cccc2c1OCC[C@@H]2NC(=O)[C@H]1CC[C@@H](c2ccccc2)O1 342223924 GAWAODUILUZPJH-GBESFXJTSA-N 337.419 3.855 0 50 EHAA Cc1cc(C(=O)N(C)[C@@H](c2ccc(Cl)cc2)C(F)(F)F)nn1C 345158585 MWDLZUWRULYBTG-ZDUSSCGKSA-N 345.752 3.758 0 50 EHAA CCc1nc2cc(-c3ccc(C(=O)NCCCOC)cc3)ccc2o1 426615557 PNEQBWSZFSLVEY-UHFFFAOYSA-N 338.407 3.824 0 50 EHAA COc1cccc([C@@H](OC)c2noc(CCO[C@@H](C)CC(C)C)n2)c1 665064943 DJKPWPOCDBYQJG-KBXCAEBGSA-N 348.443 3.808 0 50 EHAA CCc1ccc(CN2CCC[C@@H](COc3cccc(OC)c3)C2)nc1 952974938 VVARXNGXWZZQJU-GOSISDBHSA-N 340.467 3.944 0 50 EHAA C[C@H](CN1CCc2ccccc2C1)NCc1cccc(O)c1Cl 952982977 NHZMNGWEHWAMMG-CQSZACIVSA-N 330.859 3.582 0 50 EHAA Cc1ccc(CN(CCCO)C(=O)c2ccc(F)c(Cl)c2)cc1 952983309 JZYUKZQPKIETSY-UHFFFAOYSA-N 335.806 3.812 0 50 EHAA COc1cccc2c1OC[C@H](n1ccnc1-c1ccncc1Cl)C2 1857729937 JPYPFIKBLPRWDV-CYBMUJFWSA-N 341.798 3.783 0 50 EHAA C[C@H]1CN(c2nc(-c3ccc(Cl)s3)nc3c2CCC3)CC[C@H]1O 1875270102 IKWCBOBSMQSZDR-GXFFZTMASA-N 349.887 3.554 0 50 EHAA O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CSc2ccccc2O1 2325728428 BUGVJBYDQQHWQE-HIFRSBDPSA-N 343.473 3.893 0 50 EHAA CC(C)c1ccc(NC(=O)NC[C@H]2CC[C@@]3(CCCOC3)O2)cc1 2325775731 MRXOKGKMTMUCDA-IEBWSBKVSA-N 332.444 3.660 0 50 EHAA Fc1ccc(-c2ccc(-c3nc(Cc4cc[nH]n4)no3)c(F)c2)cc1 2325869649 XBZCOLWIGAVTFU-UHFFFAOYSA-N 338.317 3.996 0 50 EHAA COc1ccc(Br)cc1COC(=O)c1cccs1 31511 TYOHOPFYJPIICI-UHFFFAOYSA-N 327.199 3.876 0 50 EHAA CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 285326 AMBCVWGPUJWDJX-IBGZPJMESA-N 337.419 3.769 0 50 EHAA Cc1cc(C)n(C[C@H](O)COc2c(Cl)cc(Cl)cc2Cl)n1 318308 DUVGDCWOSNVLCA-NSHDSACASA-N 349.645 3.900 0 50 EHAA COc1ccc(OC)c(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)c1 430940 CRDWNYUVBBQHNN-LQQMTZPVSA-N 335.359 3.713 0 50 EHAA O=C(COC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 443262 ZEQHIQPJLLRIAM-UHFFFAOYSA-N 337.144 3.628 0 50 EHAA CCOc1ccc(C(=O)NCc2ccccc2)cc1Br 451031 DIIOHPWBYIARRJ-UHFFFAOYSA-N 334.213 3.778 0 50 EHAA COc1ccc(CCNC(=S)Nc2ccc(C)cc2)cc1OC 458822 UNOPWMANURUBEG-UHFFFAOYSA-N 330.453 3.541 0 50 EHAA CCCOC(=O)c1ccc(NC(=O)COc2cccc(C)c2C)cc1 1779713 LCGXCVUTFXDCBD-UHFFFAOYSA-N 341.407 3.888 0 50 EHAA COc1ccccc1-c1nnc2sc(CCc3ccccc3)nn12 2180687 XMLZTBSZVBPSMM-UHFFFAOYSA-N 336.420 3.647 0 50 EHAA COc1ccccc1NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 2873617 WGEDCMDWXPATET-UHFFFAOYSA-N 348.402 3.881 0 50 EHAA COc1cc(OC)c(CNC2CCCCC2)cc1Br 4685514 XNABAGPLOQOSMW-UHFFFAOYSA-N 328.250 3.889 0 50 EHAA Cc1nn2c3ccccc3n(C)c2c1C(=O)C(Cl)(Cl)Cl 4982771 JFKRVJPPIAXCFI-UHFFFAOYSA-N 330.602 3.687 0 50 EHAA COc1ccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)c(F)c1 12005538 ADDSUPUKLVXOBK-NRFANRHFSA-N 343.442 3.652 0 50 EHAA CN(Cc1ccon1)C(=O)C[C@H](c1ccccc1)c1ccccc1F 12201369 ONXCEDLCBVIQSC-GOSISDBHSA-N 338.382 3.994 0 50 EHAA Cc1nc(C)n([C@H](C)CC(=O)Nc2cc(Cl)cc(Cl)c2)n1 13533809 NOSCCESRHWSLQU-MRVPVSSYSA-N 327.215 3.792 0 50 EHAA Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)oc2ccccc12 13745501 DHLOGHOJIOGBTG-UHFFFAOYSA-N 326.440 3.832 0 50 EHAA Cc1ncc(CN2CCC[C@](CO)(CCc3ccccc3)C2)s1 15073377 OIXCFDGFZBTFCZ-IBGZPJMESA-N 330.497 3.659 0 50 EHAA C[C@H]1CN(CCCCOc2ccccc2Br)C[C@@H](C)O1 16247313 FIPKWASTKUDGBW-OKILXGFUSA-N 342.277 3.717 0 50 EHAA CN(C)CCCN(C)[C@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1 19745408 GYPJMDVGBNXTFW-YKRMCXMESA-N 349.950 3.614 0 50 EHAA Cn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21 19859202 YKMSTUDOGGAEJH-UHFFFAOYSA-N 340.858 3.549 0 50 EHAA CCN(CC)C(=O)N1CCC(C(=O)Nc2ccccc2C(C)C)CC1 47977710 ZAKWQRLPSVJGMG-UHFFFAOYSA-N 345.487 3.922 0 50 EHAA O=C(CC1CCCCCC1)N1CCC(Cn2cc(C3CC3)nn2)CC1 48101695 XNCBKCVKZJXJDS-UHFFFAOYSA-N 344.503 3.755 0 50 EHAA CCCCOc1c(CN2CCC[C@H]2Cn2cccn2)cccc1OC 55383921 SOWPYXGJAVWLKL-SFHVURJKSA-N 343.471 3.735 0 50 EHAA CC(=O)Nc1ccc(-c2nccn2Cc2cn3ccc(C)cc3n2)cc1 65374433 KSBCWXAIOSQJHP-UHFFFAOYSA-N 345.406 3.513 0 50 EHAA Clc1ccccc1-c1cc(C2CCN(Cc3ncc[nH]3)CC2)[nH]n1 67947611 XQYMGOFGEBVEHM-UHFFFAOYSA-N 341.846 3.833 0 50 EHAA COc1cc(F)c(-c2nccn2[C@@H](C)CCn2cccn2)c(F)c1 71754727 LTKMPBLZHYYEAE-LBPRGKRZSA-N 332.354 3.685 0 50 EHAA CC[C@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1cnn(C)c1 72424976 WPJTWZZLTCMJMU-INIZCTEOSA-N 332.411 3.693 0 50 EHAA CC[C@H]1c2cccn2CCN1C(=O)c1c[nH]nc1-c1cccs1 72438050 BGPHUFIYMXGLFG-ZDUSSCGKSA-N 326.425 3.547 0 50 EHAA CCc1nn(C)c(Cl)c1CN1CCCC[C@@H]1CCn1ccnc1C 77537578 BVDGIURJYNXOGG-OAHLLOKOSA-N 349.910 3.586 0 50 EHAA CN(C(=O)OCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 95495791 QTJMIHMRGWRXLF-UHFFFAOYSA-N 348.443 3.655 0 50 EHAA in-vitro O=C(C[C@H](c1ccccc1)c1ccccc1Cl)N1CCCNCC1 95526750 VKIOWVPCWNGNGP-GOSISDBHSA-N 342.870 3.684 0 50 EHAA COc1nc(-c2cncc(Cl)c2)ncc1OCc1ccccc1 97758594 JEJFFUNSUSDVNV-UHFFFAOYSA-N 327.771 3.780 0 50 EHAA COc1cc(CN2CC[C@H]2c2ccc(F)cc2)cc(OC)c1OC 97775747 BXCOCXDWDXYSEV-INIZCTEOSA-N 331.387 3.799 0 50 EHAA O=C(c1ccc(Br)cn1)N1CC[C@@H](Cc2ccccc2)C1 125743104 LRVNETIYVQEDBG-AWEZNQCLSA-N 345.240 3.549 0 50 EHAA Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1ncc(-c2ccccc2)[nH]1 129234057 UYVKHYHCHDRXGX-ROUUACIJSA-N 331.419 3.805 0 50 EHAA CCNc1ccc(Br)cc1NC(=O)CC1CCOCC1 170592982 NARANGULKIAAFV-UHFFFAOYSA-N 341.249 3.636 0 50 EHAA COc1ccsc1C(=O)Nc1cccc(OCc2ccccn2)c1 171654781 LYIHEGTZZNSFQT-UHFFFAOYSA-N 340.404 3.983 0 50 EHAA O=C(N[C@H](C(=O)O)c1ccc(Cl)c(F)c1)C1CCC(F)(F)CC1 191127120 WQIBLILKRDWRPJ-LBPRGKRZSA-N 349.736 3.547 0 50 EHAA COc1ccc(-c2nsc(NC(=O)c3ccoc3Cl)n2)cc1 192305370 AJZXMSTVSVHCHD-UHFFFAOYSA-N 335.772 3.712 0 50 EHAA C[C@H]1C[C@H](N)CCN1C(=O)C[C@@H](C)c1ccccc1C(F)(F)F 237596989 KYBTUTIUMIJNER-FRRDWIJNSA-N 328.378 3.537 0 50 EHAA Cc1cc(C)n(C[C@H](C)CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)n1 247939356 UEBHSNKGHJFKOM-LBTNJELSSA-N 343.471 3.601 0 50 EHAA C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N(C)Cc1ccc(F)c(F)c1 248063420 DOOQABJOCWSGCN-ZXTQRBJTSA-N 338.442 3.726 0 50 EHAA C[C@H]1C[C@@H](C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)CCN1C 253419266 FBAORFZEBXCIDI-ZAAXVRCTSA-N 340.442 3.762 0 50 EHAA CC[C@H](C)[C@H](NC(=O)c1cc(F)c(F)c(O)c1F)C(F)(F)F 278223734 UQXHEBFDAIOSLM-DYEAUMGKSA-N 329.240 3.516 0 50 EHAA CN(C(=O)Nc1ccccc1OC(F)(F)F)C1CCSCC1 299759640 NSEWQWLFMOHYKZ-UHFFFAOYSA-N 334.363 3.945 0 50 EHAA Cc1[nH]c(-c2ccccc2)nc1C(=O)N[C@H]1COC2(CCCCC2)C1 299770460 UFMYZOLOQDQPAN-MRXNPFEDSA-N 339.439 3.607 0 50 EHAA Cc1nc(C2CC2)ccc1C(=O)NC[C@H]1CCC2(CCCCC2)O1 333451807 RXFYPLMRFPPKFR-MRXNPFEDSA-N 328.456 3.879 0 50 EHAA Cc1cc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)c2n[nH]cc2c1 344549464 SQIJQGMTYGCNKC-LLVKDONJSA-N 341.361 3.909 0 50 EHAA O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc2ncccc2c1 353659784 QVUJADARQTWWFM-UHFFFAOYSA-N 336.775 3.828 0 50 EHAA Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)c(Cl)c1 409422237 CWCVWYQXUQWCRI-QWHCGFSZSA-N 339.819 3.684 0 50 EHAA COCC1(C)CN(c2nc(C(F)F)nc3ccc(Cl)cc23)C1 413267257 NBRPIANYQHBDGY-UHFFFAOYSA-N 327.762 3.694 0 50 EHAA CC[C@](C)(CCNC(=O)c1ccn(C(C)C)n1)c1ccccc1OC 426634041 SYZADZMUUJCZEV-HXUWFJFHSA-N 343.471 3.960 0 50 EHAA Cn1ncc(NC(=O)N2CC(C)(C)[C@H]2c2ccccc2)c1C(F)F 677631541 LQUCURYDCSOPPZ-CQSZACIVSA-N 334.370 3.973 0 50 EHAA Cc1cccc(-n2nc(-c3c[nH]c4ccccc34)nc2[C@@H](O)C(C)C)n1 825230914 YUBQWSYYOJPGAJ-SFHVURJKSA-N 347.422 3.808 0 50 EHAA Cc1nc(C)c(C(=O)Nc2ccccc2Cn2ccnc2C)s1 825312875 OYYSGJFWNDYRFD-UHFFFAOYSA-N 326.425 3.565 0 50 EHAA CC(C)c1nnc(NC(=O)CSc2ccc3ccccc3n2)s1 828084307 GTDOURXFWQHLMX-UHFFFAOYSA-N 344.465 3.941 0 50 EHAA O[C@@H](CNCCC1SCCS1)c1cccc(C(F)(F)F)c1 853121597 FKCMFHRDRQNWQJ-LBPRGKRZSA-N 337.432 3.525 0 50 EHAA O=C1COc2ccc(CN[C@@H]3CC[C@@H](c4ccccc4F)C3)cc2N1 885810234 PZBQIOJDRWUGDQ-HUUCEWRRSA-N 340.398 3.583 0 50 EHAA O=C(Nc1nc2ccc3scnc3c2s1)[C@@H]1OC[C@@H]2CCC[C@@H]21 888296048 HWDYNJKGDVNVJY-MWODSPESSA-N 345.449 3.660 0 50 EHAA CCOc1ccc([C@@H](CC)NCc2cnn3c(C)cc(C)nc23)cc1 952971989 AKIGXDZQCHZETK-LJQANCHMSA-N 338.455 3.986 0 50 EHAA COc1ccc(OC)c([C@@H](C)NC2CCN(Cc3ccco3)CC2)c1 1506402580 UBMSHOLEUIBKLM-OAHLLOKOSA-N 344.455 3.612 0 50 EHAA Cc1[nH]nc(CCC(=O)N(C)CCCOc2ccccc2Cl)c1C 1506408809 QEKLWSUEYBWHGO-UHFFFAOYSA-N 349.862 3.540 0 50 EHAA CCc1nn(C)c(NC(=O)[C@H]2CCCc3c2[nH]c2ccccc32)c1C 1529095710 ULVPGVKHWDPTMZ-HNNXBMFYSA-N 336.439 3.831 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3ccc(Cl)s3)C[C@H]2C1 1529172343 FMGATGIMIUXNCK-MPZDIEGVSA-N 326.893 3.592 0 50 EHAA Cc1ncc(Cl)c(NC[C@@H]2CCN(Cc3ccccc3C)C2)n1 1704326484 XZLSHEJFTGRHAT-HNNXBMFYSA-N 330.863 3.681 0 50 EHAA CCCOc1c(CN2CCC[C@H]2C2(O)CC2)cc(Cl)cc1OC 1772812077 ABWJTWHZZIIWAY-INIZCTEOSA-N 339.863 3.627 0 50 EHAA Oc1ccc(CN2CCC[C@@](O)(c3ccccc3)CC2)c(F)c1F 1875287879 DWGWKQYCUGNEAI-IBGZPJMESA-N 333.378 3.544 0 50 EHAA Cc1cc(C(=O)N2CC[C@H](c3ccc(O)cc3)C2)c2cnccc2c1 1875331227 VZDCBBBWTIXDAK-KRWDZBQOSA-N 332.403 3.879 0 50 EHAA O=C(c1cc2ccccc2c(O)n1)N1CCC=C(c2cccc(O)c2)C1 1875338990 SECSXCYEDGDEDO-UHFFFAOYSA-N 346.386 3.576 0 50 EHAA CCc1cnoc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325804724 LIWDEZWBEXYSEK-UHFFFAOYSA-N 334.803 3.574 0 50 EHAA CSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccccc1-2 176376 WHXODBDDPALIEP-CYBMUJFWSA-N 328.422 3.825 0 50 EHAA CC(C)N(C(=O)CSc1nc2n(n1)CCCCC2)c1ccccc1 390134 YLEPKLHCUYEXNF-UHFFFAOYSA-N 344.484 3.538 0 50 EHAA Cc1c(C)c2n(C)c3ccccc3n2c1C(=O)NC(=O)c1ccccc1 473232 HLOIALSAFNUXKV-UHFFFAOYSA-N 345.402 3.618 0 50 EHAA CCn1nccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 2800638 OABAPHMNJMBTPP-UHFFFAOYSA-N 348.406 3.716 0 50 EHAA CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(OC)cc2)CC1 2812342 FOJRDXMXPCDSFV-UHFFFAOYSA-N 346.471 3.745 0 50 EHAA Cc1ccc(NC(=O)[C@@H](C)[C@@H]2Sc3ccccc3NC2=O)c(C)c1 2874613 CVEIIVIHVHUOIJ-GUYCJALGSA-N 340.448 3.991 0 50 EHAA Brc1ccc(CN2CCC(N3CCCCC3)CC2)cc1 4745810 DTZQPJTYISOMSL-UHFFFAOYSA-N 337.305 3.899 0 50 EHAA O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1Cl 6706860 PGMJLVXHVWCNNM-UHFFFAOYSA-N 337.615 3.843 0 50 EHAA CN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccc(Cl)cc1 6730239 ZDYDSWZWEAIMIN-UHFFFAOYSA-N 341.798 3.591 0 50 EHAA Cc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 7759442 WALXZNWLZQRLDN-UHFFFAOYSA-N 335.407 3.555 0 50 EHAA CC(=O)N1CCC(N2CCC[C@@H](CCc3ccccc3C)C2)CC1 11839919 ICRNHLOBZUOHMD-IBGZPJMESA-N 328.500 3.651 0 50 EHAA O=C(c1cc(COc2ccc(F)cc2F)on1)N1C[C@@H]2CCC[C@H]1C2 12711106 ZXIKUQAOAFEQPJ-YPMHNXCESA-N 348.349 3.546 0 50 EHAA O=C(O)[C@H]1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 13729364 AJIVDPRFDWUDNX-IBGZPJMESA-N 339.435 3.589 0 50 EHAA CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cc(C)on2)cc1 45030647 SLCCWNVSRGRYJV-INIZCTEOSA-N 343.383 3.529 0 50 EHAA Cc1ccc(C(=O)N(C)Cc2sccc2C)cc1NC(=O)C1CC1 55254497 QFWIKJRNJYSIJX-UHFFFAOYSA-N 342.464 3.986 0 50 EHAA Cc1cnccc1N1CCCN(C(=O)C[C@H]2CCc3ccccc32)CC1 65371612 XYSPNGYJTOABSV-LJQANCHMSA-N 349.478 3.549 0 50 EHAA CSCCc1c(-c2ccccc2)ncn1CCNc1cccnc1 65375097 UFOHOBWCYJMDFT-UHFFFAOYSA-N 338.480 3.963 0 50 EHAA Cc1nnc(SCc2nc(C(C)C)nn2-c2ccncc2C)s1 65383750 MTNUCVMQMRPKSD-UHFFFAOYSA-N 346.485 3.546 0 50 EHAA COc1ccc(-c2cc([C@H]3CCN(Cc4ncc[nH]4)C3)ccn2)cc1C 65470342 HYGZXXSZUVNTLT-SFHVURJKSA-N 348.450 3.778 0 50 EHAA COc1ccc(C2(C(=O)Nc3cnn(C(C)C)c3)CCCC2)cc1 66673255 SNGZQOXZKONUEF-UHFFFAOYSA-N 327.428 3.923 0 50 EHAA O=C(c1cncc(F)c1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71403939 FFTGMKHUGZMMCM-HNNXBMFYSA-N 330.378 3.845 0 50 EHAA Fc1ccc(CN2CCC[C@H](OCc3cccnc3)C2)c(F)c1F 72174222 HVOFFEPATSVPNH-HNNXBMFYSA-N 336.357 3.680 0 50 EHAA COc1ccc2c(c1)C=C(CN1CCC(c3ccncc3)CC1)CO2 72408793 DBQGVEOZVMADGZ-UHFFFAOYSA-N 336.435 3.746 0 50 EHAA O=C(c1c[nH]nc1C1CCCCC1)N1CCCN(C2CCCC2)CC1 72409956 SFLVOGWYABSPQM-UHFFFAOYSA-N 344.503 3.548 0 50 EHAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1ccn(C(F)F)n1 72426237 VBYOQMUDIAJHRP-UHFFFAOYSA-N 348.378 3.674 0 50 EHAA CCc1cc(NCc2cc(-c3ccc(OC)cc3)on2)n2nccc2n1 72427138 MIRKZTBRIWBXID-UHFFFAOYSA-N 349.394 3.567 0 50 EHAA Cc1nccn1CCCC(=O)N1CCC[C@@](C)(c2ccccc2)C1 79095952 FVADIVSBSNZMMQ-HXUWFJFHSA-N 325.456 3.552 0 50 EHAA COc1ccc([C@@H](NC(=O)c2ccc3nc(C)cn3c2)C2CC2)cc1 82109293 SOEONQYITNXYKR-IBGZPJMESA-N 335.407 3.532 0 50 EHAA CCNC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 91320380 NUDXACQVPXBIJT-MRXNPFEDSA-N 326.444 3.513 0 50 EHAA Cc1cc(C)c2c(NCC[C@@H]3CCCCN3C(C)C)ncnc2n1 95355614 UQHIUKOXBMXYLZ-INIZCTEOSA-N 327.476 3.707 0 50 EHAA COc1cccc(CCc2nc(C3CC3)nn2CC(F)(F)F)c1 95383395 GGVMUBHQCLWIPZ-UHFFFAOYSA-N 325.334 3.512 0 50 EHAA CC(C)(C)OC(=O)Nc1c(F)cc(Br)cc1C(=O)O 146987905 XRELQOFFBFWKEM-UHFFFAOYSA-N 334.141 3.633 0 50 EHAA CC1CCN(C[C@H]2CCCN(c3nnc(C(F)(F)F)s3)C2)CC1 154146774 RKYRGGPJWVFSMQ-GFCCVEGCSA-N 348.438 3.505 0 50 EHAA COc1ccc2cccc(CC(=O)N(C(C)C)C3CCOCC3)c2c1 156892812 ROAZRFYUCVUDIV-UHFFFAOYSA-N 341.451 3.807 0 50 EHAA C/C=C/C[C@H](CO)NC(=O)CCCOc1ccc(Cl)cc1Cl 170598467 LBJVQZBLHDJOJZ-YWVDXFKGSA-N 346.254 3.596 0 50 EHAA CC(C)(C)OC(=O)c1ccc(CNc2nnc(C(C)(C)C)o2)cc1 170616155 SZWGJWPKYYDHLB-UHFFFAOYSA-N 331.416 3.935 0 50 EHAA C[C@H](NC(=O)N[C@H]1c2cccc(F)c2CC[C@@H]1C)c1cccnc1 175319336 LCRUAWCSFWUBDQ-ZJNRKIDTSA-N 327.403 3.905 0 50 EHAA O=C(c1ccoc1Cl)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 192438100 RGTCBBNQXQHXCB-ZFWWWQNUSA-N 337.778 3.800 0 50 EHAA O=C1CCCN1C[C@@H](NCc1cc(Cl)cs1)c1ccccc1 193008937 GIMDBLWRXVWUHS-MRXNPFEDSA-N 334.872 3.855 0 50 EHAA COc1cccc([C@H](C)OC(=O)CCc2cccc(N(C)C)c2)c1 225785228 OWKGAWFFJSTQKS-HNNXBMFYSA-N 327.424 3.998 0 50 EHAA C[C@H]1[C@H](OC(=O)c2ccc(Cn3cncn3)cc2)C[C@H]2C[C@H]1C2(C)C 242191297 XEMWVKWEEOSQQJ-BNEJOLLZSA-N 339.439 3.554 0 50 EHAA CCc1cccc(CN2CCC(NC(=O)CC3CCCC3)CC2)c1 252533016 FSLZNKKQHFYXJW-UHFFFAOYSA-N 328.500 3.910 0 50 EHAA COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCCC2(CCOCC2)C1 266713711 RDIUOTKAKRJQFJ-MRXNPFEDSA-N 346.471 3.667 0 50 EHAA CO[C@@H]1CCC[C@H](CC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)C1 280265661 VHEHSKRXUIACEE-JENIJYKNSA-N 333.447 3.812 0 50 EHAA CC[C@@]1(CNC(=O)c2cc(O)ccc2Cl)OCCc2ccccc21 291131437 FGAPCTWHHCVNME-IBGZPJMESA-N 345.826 3.654 0 50 EHAA Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)s1 299754117 VIVNGBWROKKCOP-MCIONIFRSA-N 343.452 3.784 0 50 EHAA CCc1cccc(NC(=O)N2CCC(Oc3ccncc3)CC2)c1 299768435 NNVDIHCKXUHJMJ-UHFFFAOYSA-N 325.412 3.719 0 50 EHAA O=C(N=c1cc(-c2cccc(Cl)c2)o[nH]1)N1CCCC2(CC2)C1 330178435 DREIOOKPKXYLRM-UHFFFAOYSA-N 331.803 3.825 0 50 EHAA CCCOc1ccc(CNC(=O)N2CCC[C@@](C)(OC)CC2)c(C)c1 332379299 ULAZGAKNPSHLGL-HXUWFJFHSA-N 348.487 3.884 0 50 EHAA COC(=O)CCc1csc(-c2c(F)cccc2OC(F)F)n1 408519632 IXGJVNVHMHPASM-UHFFFAOYSA-N 331.315 3.656 0 50 EHAA C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccncn2)CC1 412430843 UYSGMVAYRWQUPK-AWEZNQCLSA-N 343.858 3.715 0 50 EHAA O=C(c1ccc(-c2nccs2)cc1)N1CCCC2(CCOCC2)C1 426380194 ZNDCLHAHBKXOTG-UHFFFAOYSA-N 342.464 3.843 0 50 EHAA CC(C)c1nccc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)n[nH]2)n1 426397612 QNUUBXPDYXJCMZ-AWEZNQCLSA-N 349.438 3.823 0 50 EHAA COCC(C)(C)CNC(=O)c1cc(N2CCCCC2)ccc1Cl 534654486 ICEBWZPOWLOTTH-UHFFFAOYSA-N 338.879 3.733 0 50 EHAA COCC1(C2CCC2)CN(C(=O)N[C@H](C)Cc2ccc(F)cc2C)C1 665540011 AZIGWNVAKVRQFN-OAHLLOKOSA-N 348.462 3.523 0 50 EHAA Fc1ccc(Cn2ncnc2CC[C@@H]2CCCN3CCCC[C@H]23)cc1 670434669 CJZITFSJCYXWIE-PKOBYXMFSA-N 342.462 3.663 0 50 EHAA C[C@H](NC(=O)c1ccc(NCC2CC2)nc1)c1cc2cnccc2o1 829812483 DBHQISFMCFOOEU-LBPRGKRZSA-N 336.395 3.536 0 50 EHAA CN(Cc1noc(C2CC2)n1)c1nc(C(F)(F)F)nc2ccccc12 840388203 AJPLJYZIFNKGIE-UHFFFAOYSA-N 349.316 3.545 0 50 EHAA Cc1cnc(NC(=O)[C@@H]2CCCO[C@@H]2C(C)C)c(Br)c1 886043526 YPJKAOVQUGYMOP-DGCLKSJQSA-N 341.249 3.542 0 50 EHAA CCn1cc([C@@H]2OCCC[C@H]2CN[C@H](C)c2ccncc2Cl)cn1 886080533 XXVUGSZLVKDERO-QWQRMKEZSA-N 348.878 3.770 0 50 EHAA O=C(Nc1ccnn1Cc1ccc(Cl)s1)c1cnc(C2CC2)o1 888254279 KNGAVEYDKBUPDQ-UHFFFAOYSA-N 348.815 3.764 0 50 EHAA O=C(c1cc(F)cc2ccoc12)N(C[C@H]1CCCO1)c1ccncc1 932681185 CJUPKIFRCIKILS-MRXNPFEDSA-N 340.354 3.793 0 50 EHAA CCc1cnc(C)nc1N1CCC(COc2ccc(OC)cc2)CC1 1704299469 SDJWYSIBXVMOOO-UHFFFAOYSA-N 341.455 3.651 0 50 EHAA O=C(c1cncc(NCCCSC2CCCCC2)n1)N1CCCC1 1704352142 QGLLIUNPZHFFID-UHFFFAOYSA-N 348.516 3.581 0 50 EHAA Cc1cc(-c2ccc3c(c2)CN(C)C3=O)c2cc3c(cc2n1)OCO3 1875244897 ZOYKBVVZONPQRC-UHFFFAOYSA-N 332.359 3.525 0 50 EHAA Oc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1Cl 1875281407 VNYQTIKYKJGJRC-QPJJXVBHSA-N 342.870 3.877 0 50 EHAA CCC[C@@H](CC)c1nc(-c2nc[nH]n2)nn1C[C@H]1CCCC1(F)F 1875336377 YKJZYEMTOUEYGY-VXGBXAGGSA-N 338.406 3.792 0 50 EHAA CC(C)c1nc([C@H]2CCCCCN2C(=O)[C@@H](C)OC2CCCC2)no1 2325729071 AQVRZBYHHQVVSH-GDBMZVCRSA-N 349.475 3.984 0 50 EHAA C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2Cc2ccccc2)c2ccccc21 2325749619 VUSQYDZLZXOSPJ-FOIQADDNSA-N 345.446 3.989 0 50 EHAA CO[C@@H](CNCc1ccc(-n2ccc(C)n2)cc1C)C1CC(F)(F)C1 2325774319 IQFDDRZPZZLDFJ-SFHVURJKSA-N 349.425 3.639 0 50 EHAA O=C(Nc1ncc(C2CCCCC2)s1)[C@@H]1CCCc2nc[nH]c21 2325779822 GSGPRCJXZLZGFX-GFCCVEGCSA-N 330.457 3.973 0 50 EHAA Cn1cc(-c2ccc3c(c2)CCC2(CCNCC2)O3)c2ccncc21 2325796769 KCOXCAZRHIJYLN-UHFFFAOYSA-N 333.435 3.688 0 50 EHAA Cc1ccc(Oc2ccc(CCNc3cnccc3C(N)=O)cc2)cc1 2325855517 DOISZNHDGKANFG-UHFFFAOYSA-N 347.418 3.936 0 50 EHAA CCCc1nc2ccccc2n1C[C@H](O)COC[C@@H]1CC=CCC1 242994 UFMCELMQZANVGK-SJORKVTESA-N 328.456 3.723 0 50 EHAA Cc1cc(Br)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 311444 JAIAAJXFQZWHBT-CHWSQXEVSA-N 340.261 3.926 0 50 EHAA COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Cc2ccccc2)c1 451061 KEWZTUOWSJBQDK-GJZGRUSLSA-N 327.424 3.760 0 50 EHAA COc1ccc(-c2cc(=O)oc3c(C)c(OCC(C)=O)ccc23)cc1 457663 KNKAUJSKVRKRDN-UHFFFAOYSA-N 338.359 3.745 0 50 EHAA biogenic CC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc1 462334 OXHZFMSDFXUKDF-UHFFFAOYSA-N 327.380 3.700 0 50 EHAA COc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2N)c1 531637 OXIPCZIFGVWRBM-UHFFFAOYSA-N 346.843 3.613 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)N1CCCc2ccccc21 611401 PYKVGYFHKSASOU-UHFFFAOYSA-N 346.477 3.993 0 50 EHAA COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 2638718 JPFPXKBCKWUAEW-UHFFFAOYSA-N 325.286 3.975 0 50 EHAA COc1cccc(OC)c1OCCCCN(C)Cc1ccccc1 2822486 OTGGVMHZVMOPAX-UHFFFAOYSA-N 329.440 3.995 0 50 EHAA COC(=O)C[C@H](NC(=O)c1cccs1)c1ccc(C(C)C)cc1 4050709 HPDFXUGVJBDBDZ-HNNXBMFYSA-N 331.437 3.906 0 50 EHAA O=C(Nc1nnc(-c2cccnc2)s1)C12CC3CC(CC(C3)C1)C2 4380510 NQTSXEHRSQUIRX-UHFFFAOYSA-N 340.452 3.755 0 50 EHAA S=C(Nc1cccc2ccccc12)N1CCN(c2ccccn2)CC1 4618177 CXCBNEOKEQGLEI-UHFFFAOYSA-N 348.475 3.754 0 50 EHAA CC(C)OC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1 4844860 TWEQYYYERQVAKR-MNOJGGAQSA-N 335.403 3.809 0 50 EHAA O=C(Nc1cccc(F)c1)N1CCN(c2ccc(Cl)cc2)CC1 6715219 DGRRWLBCOMQVBJ-UHFFFAOYSA-N 333.794 3.833 0 50 EHAA COc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1 7056333 QYJUDTUDCSHHAF-UHFFFAOYSA-N 349.452 3.802 0 50 EHAA Cc1ccc2c(c1)CN(Cc1coc3ccccc3c1=O)C[C@H](C)O2 11782759 RFACPQAUOOMDAH-HNNXBMFYSA-N 335.403 3.885 0 50 EHAA O=C(C1CCCC1)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 12307140 VXNXIDZQSIYKCX-UHFFFAOYSA-N 329.831 3.805 0 50 EHAA CCCCc1ccc(NC(=S)N2CCC3(CC2)OCCO3)cc1 13784702 PALFNTGNNBCBMA-UHFFFAOYSA-N 334.485 3.565 0 50 EHAA Cn1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc21 14796397 AXTAANNBLDKNMA-UHFFFAOYSA-N 347.462 3.573 0 50 EHAA O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(Br)cc1 16578322 YPNJZSJFSCMTFT-UHFFFAOYSA-N 344.205 3.530 0 50 EHAA O=C(CC1c2ccccc2CCc2ccccc21)NCc1ccon1 20256661 DVGHCZXHGRZUGW-UHFFFAOYSA-N 332.403 3.612 0 50 EHAA Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2Cl)c1 20402373 ILBVHWANTXKZOG-QGZVFWFLSA-N 342.826 3.892 0 50 EHAA CN(C)c1cc(-c2cccc(-c3ccn(CCCCF)n3)c2)ncn1 20861449 JPRKOWQDCUWWQC-UHFFFAOYSA-N 339.418 3.823 0 50 EHAA CC(=O)c1cccc(CN2CCc3[nH]nc(-c4cccc(F)c4)c3C2)c1 23338056 LQEOVCQWDQXINA-UHFFFAOYSA-N 349.409 3.977 0 50 EHAA CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC/C=C\C[C@@H]21 26028988 ZVWMOTMHZYWJPF-WTKFZEAQSA-N 336.472 3.523 0 50 EHAA in-vitro Cc1ccc(-c2n[nH]cc2CN(C)Cc2ccc3nonc3c2)cc1C 55108770 XYYOETLMLWLWSJ-UHFFFAOYSA-N 347.422 3.862 0 50 EHAA NCCCCCNC(=O)C[C@@H](c1ccccc1)c1ccc(F)cc1 55212160 DJNYAJLCJXPTAU-IBGZPJMESA-N 328.431 3.593 0 50 EHAA CCCn1nc(C)cc1NC(=O)c1cccc(CN2CCC[C@@H]2C)c1 65370101 JRCZOOHMGMZUJW-INIZCTEOSA-N 340.471 3.838 0 50 EHAA Cc1ccc2c(=O)cc(C(=O)N3CCCC[C@H]3c3ccccn3)oc2c1 72432929 WCYYOUDZHFZIHF-KRWDZBQOSA-N 348.402 3.864 0 50 EHAA Cc1cc(F)ccc1C(=O)N1CCC[C@@H](C(=O)Cc2ccccc2)C1 77389009 UZXNBQUXILOXTN-QGZVFWFLSA-N 339.410 3.798 0 50 EHAA Cc1cc(C)c2c(N[C@@H](C)c3nncn3C3CCCC3)ncnc2n1 95387873 PKBFXXWIGUEXKY-ZDUSSCGKSA-N 337.431 3.521 0 50 EHAA O=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1ccc(Cl)o1 97402549 DQBGNXJIPGWNHI-CQSZACIVSA-N 336.794 3.639 0 50 EHAA CCN(CCSc1ccccc1)C(=O)c1c(C)c(C)c(C)[nH]c1=O 97775882 MRDJNWUKFQDOCS-UHFFFAOYSA-N 344.480 3.555 0 50 EHAA COc1ccc(-c2nsc(NC(=O)c3ccc(F)cc3C)n2)cc1 123820909 OWUMCWIZRGYVIQ-UHFFFAOYSA-N 343.383 3.914 0 50 EHAA O=C1C[C@@H](c2noc(-c3cc(F)cc(F)c3)n2)CN1C1CCCCC1 169762154 AGMUJNZSQXVJCP-GFCCVEGCSA-N 347.365 3.663 0 50 EHAA Cn1c(C(C)(C)C)nc2cc(NCc3cn(C(C)(C)C)nn3)ccc21 191500384 XLWDRSPATUTQNK-UHFFFAOYSA-N 340.475 3.829 0 50 EHAA CC(C)[C@H](Sc1nccn2ccnc12)C(=O)NC1CCCCCC1 193574309 XEZZKXUMNWFBAF-HNNXBMFYSA-N 346.500 3.685 0 50 EHAA COc1cccc(CSCC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 194772500 FGNWDDAQJIKMPV-CYBMUJFWSA-N 347.402 3.729 0 50 EHAA CN(Cc1noc(C2CCC2)n1)C(=O)c1scc2c1CCCC2 219500312 GIBZYVCQOFSYQS-UHFFFAOYSA-N 331.441 3.550 0 50 EHAA C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 229624661 URRAZDDREZGNDJ-TZMCWYRMSA-N 337.427 3.764 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]12C 257357629 PCTFUNUQNHEEEB-PMIQYNAFSA-N 330.468 3.982 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[C@H](c2ccccc2F)C1 270772601 MDVVWEHKSGHZBU-DOMZBBRYSA-N 329.419 3.675 0 50 EHAA CSc1ccccc1CN(C)C(=O)c1ccc2c(c1)CCC(=O)N2 280051331 OUOBMJMXYGBJKQ-UHFFFAOYSA-N 340.448 3.565 0 50 EHAA Cc1ccc(-c2noc([C@@H]3C[C@]34CCOC4)n2)cc1N1CCCC1 329669813 MNKMGNDBLJMEEX-KXBFYZLASA-N 325.412 3.539 0 50 EHAA Cc1c(Cl)cncc1NC(=O)N1CC2(CCOCC2)[C@H]1C(C)C 333942306 PUARTQVOGUHOHN-OAHLLOKOSA-N 337.851 3.712 0 50 EHAA Cn1c(-c2ccc(F)cc2)cn(CC(=O)c2ccc(Cl)cc2)c1=N 334157615 SUBBFQCATOUNRA-UHFFFAOYSA-N 343.789 3.648 0 50 EHAA O=C(C[C@@H]1CCOC1)N(Cc1cc(F)ccc1F)c1ccccc1 351626490 CKYXAHAKALHRLU-AWEZNQCLSA-N 331.362 3.925 0 50 EHAA O=C(NCc1cccnc1)c1ccc2nc(-c3ccccc3)oc2c1 353355344 OBWINDTWRVLGHE-UHFFFAOYSA-N 329.359 3.820 0 50 EHAA O=C(N[C@@H]1CCOc2c(F)cccc21)[C@H]1CCCc2c(O)cccc21 356835424 YKVOJYDXISJCSA-WMLDXEAASA-N 341.382 3.591 0 50 EHAA CCCOc1ccc(-c2csc(NC(=O)C3=CCOCC3)n2)cc1 360923734 DKQVVHHUOKHKJN-UHFFFAOYSA-N 344.436 3.884 0 50 EHAA O=C(Nc1ccc(-n2ccnn2)cc1)N1CCC=C(c2ccccc2)C1 375523134 JWMLSCDAGLABCJ-UHFFFAOYSA-N 345.406 3.589 0 50 EHAA Cc1cc(Br)oc1C(=O)Nc1ccc2oc(=O)ccc2c1 408526047 SQHGLHIXCBQXFO-UHFFFAOYSA-N 348.152 3.709 0 50 EHAA CCc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(F)cc3)n2)cc1 472399265 VPZJEOUXZPFZTH-GFCCVEGCSA-N 339.370 3.929 0 50 EHAA CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc2c(c1)CCO2 497421580 XWJRRPWAOLADDJ-IBGZPJMESA-N 345.464 3.639 0 50 EHAA CC(C)c1cccc(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c1 611740353 NNTUVLNVYXCFTC-UHFFFAOYSA-N 339.439 3.562 0 50 EHAA CC1(C)CO[C@H](c2cccc(Cl)c2)CN1Cc1ccc(C(=O)O)o1 656765001 HROPZTFICRHXBF-INIZCTEOSA-N 349.814 3.983 0 50 EHAA Cc1nc2cc(C(=O)NCc3nc4ccc(F)cc4[nH]3)ccc2s1 670465058 CHPRXEVJLQMKRY-UHFFFAOYSA-N 340.383 3.550 0 50 EHAA C[S@@](=O)C1(CN[C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 863983087 AFRUIKQRNUZFDH-KSFYIVLOSA-N 337.872 3.718 0 50 EHAA CC1(C)CC[C@@H](NC(=O)CCCn2cncn2)[C@@H](c2ccccc2)C1 871219458 CGKVQGCYMDTTJK-QZTJIDSGSA-N 340.471 3.537 0 50 EHAA CC[C@@H](Cc1cccc(C)c1)c1nc(-c2cnn(CC)c2N)no1 924274869 VDYJHGAMOGLBNW-AWEZNQCLSA-N 325.416 3.580 0 50 EHAA COc1cccc(OCc2nc(C3CC=CC3)n(-c3cccnc3)n2)c1 952868933 FGGFHYLEWBKBDD-UHFFFAOYSA-N 348.406 3.684 0 50 EHAA CCCn1c(C)nc2cc(NC(=O)CCn3ccnc3CC)ccc21 952980858 IVXSSWFTPYRSGD-UHFFFAOYSA-N 339.443 3.542 0 50 EHAA CCOc1ccc([C@H](C)Nc2ncc(F)c(OC)n2)cc1OCC 1704329753 ZAXFKCPXWCSCML-NSHDSACASA-N 335.379 3.595 0 50 EHAA C[C@@H]1CCCC[C@@H]1NC(=O)c1csc(NC(=O)OC(C)(C)C)n1 1775975727 FJKDDOWYSSBKGW-MNOVXSKESA-N 339.461 3.799 0 50 EHAA CC(C)n1cncc1-c1nccn1C[C@@H]1CCCN2CCCC[C@H]12 1857691433 KZPMAFFEHOCQQO-DLBZAZTESA-N 327.476 3.592 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2cc(C)n(C(C)C)n2)C[C@H](C(C)C)O1 1857733195 ZDWOHFIUGBCHTM-SJLPKXTDSA-N 335.492 3.828 0 50 EHAA C[C@H](C(=N)NOCCCOc1cccc(C(C)(C)C)c1)n1ccnc1 2325731514 JCWUOAGTCOPOPI-OAHLLOKOSA-N 344.459 3.709 0 50 EHAA CC1([C@H](CO)NC(=O)CC2c3ccccc3Oc3ccccc32)CC1 2325839001 GCSAEUAYVLXLPP-IBGZPJMESA-N 337.419 3.592 0 50 EHAA CC[C@@H](NC(=O)c1nnc2c(F)cccc2c1O)c1ccc(C)cc1 2325842727 GVEJKBHGWHJILO-OAHLLOKOSA-N 339.370 3.664 0 50 EHAA C[C@@H](NC(=O)c1nnc2c(F)cccc2c1O)[C@H](C)C1CCCCC1 2325843102 UMRLNSNJQLFROY-NWDGAFQWSA-N 345.418 3.809 0 50 EHAA CN(Cc1cccc(N(C)C)c1)C1=NC[C@@H](c2ccc(Cl)cc2)N1 2325864301 LTGFCPQZEKCLIS-SFHVURJKSA-N 342.874 3.538 0 50 EHAA COc1cc(NC(=O)COc2ccc(C)c(C)c2)c(OC)cc1Cl 44450 FIWBYPQSGORUCL-UHFFFAOYSA-N 349.814 3.992 0 50 EHAA CC(C)OC(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 117748 AMNRWKSPAKNJBY-UHFFFAOYSA-N 347.798 3.923 0 50 EHAA CC(=O)c1c(NC(=O)Cc2ccccc2)nc(C)nc1-c1ccccc1 441061 ICGOEUUNFLUHJM-UHFFFAOYSA-N 345.402 3.836 0 50 EHAA COc1ccccc1N1C(=O)c2cccc3c(N(C)C)ccc(c23)C1=O 444412 QUWWIPVPKXUHGI-UHFFFAOYSA-N 346.386 3.715 0 50 EHAA COc1ccc2nc(NC3=N[C@H](c4ccccc4)CC=N3)nc(C)c2c1 986021 LKNZQXYHVDXTQY-KRWDZBQOSA-N 345.406 3.931 0 50 EHAA Cc1cccc([C@H](NC(=O)CCN2CCCCO2)c2cccs2)c1 55197195 NDUVTUBUVYCPEG-IBGZPJMESA-N 344.480 3.680 0 50 EHAA O=C(CCC(=O)N1CCC[C@@H]1C(F)(F)F)NC1CCCCCCC1 55326175 QKCXKKHQOTXENJ-CQSZACIVSA-N 348.409 3.549 0 50 EHAA COC[C@H](NC(=O)CCCc1ccc(Cl)cc1)c1ccccn1 77423274 CEJHIUQNJCGLPT-KRWDZBQOSA-N 332.831 3.562 0 50 EHAA Cc1occc1C(=O)NCCNc1ccnc2cc(Cl)ccc12 67630485 MJUDOZDQZVLDFX-UHFFFAOYSA-N 329.787 3.632 0 50 EHAA Cc1cnccc1-n1nc(C2CC2)nc1[C@H](C)n1cnc2ccccc21 65420968 SHWSUAWCEDPPOI-AWEZNQCLSA-N 344.422 3.807 0 50 EHAA N[C@H](CNC(=O)CSc1ccc2ccccc2c1)c1ccccc1 429110211 QBHZCFAGJRTCNL-LJQANCHMSA-N 336.460 3.748 0 50 EHAA CSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 253431500 RDPGRBSANJTJEM-GDBMZVCRSA-N 344.484 3.540 0 50 EHAA C[C@H](c1nnc(-c2ccccc2)o1)N1CCCC[C@H]1Cn1cccn1 257365679 FYJMLROVGZYTSJ-WBVHZDCISA-N 337.427 3.549 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2cc(N)c(Cl)cc2Cl)cc1 34925114 USVABAQCWHPPMJ-UHFFFAOYSA-N 331.224 3.685 0 50 EHAA COC(=O)c1ccc(OCCCOc2cccc(C(C)=O)c2)cc1 8730021 ZYRSUURBPBOTNG-UHFFFAOYSA-N 328.364 3.524 0 50 EHAA c1ccc2oc(-c3nn4c(CN5CCCCC5)nnc4s3)cc2c1 39389261 VVFWMWSAEJKZCO-UHFFFAOYSA-N 339.424 3.585 0 50 EHAA CC(C)Cn1cncc1CN1CCC[C@H](Nc2ccc(F)c(F)c2)C1 72149002 RHORGKVOBDTSCT-INIZCTEOSA-N 348.441 3.894 0 50 EHAA COc1cccc(C)c1NC(=O)N1C[C@H](C(F)(F)F)OC(C)(C)C1 455278781 FHUWOOQUNGVBAB-GFCCVEGCSA-N 346.349 3.577 0 50 EHAA COC1CCC(NC(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)CC1 334076985 JXCRQXLLXKDPSX-QWQCLYJRSA-N 338.398 3.599 0 50 EHAA NCCCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 237945493 DZOJSZSKKXEGQF-UHFFFAOYSA-N 339.317 3.570 0 50 EHAA CC(C)C[C@H](O)C1CCN(Cc2cnc(-c3cccs3)nc2)CC1 77519312 ZPMLMZGXENPGGU-KRWDZBQOSA-N 345.512 3.824 0 50 EHAA CCOc1cc(CN2CCO[C@H](C(F)(F)F)C2)ccc1OC(C)C 71753870 NIJIXEVVHVVMAZ-INIZCTEOSA-N 347.377 3.636 0 50 EHAA O=C(Oc1ccc(C(=S)N2CCCC2)cc1)c1ccc(F)cc1 220962374 BSBTVZCJWCLHRP-UHFFFAOYSA-N 329.396 3.816 0 50 EHAA COCCC[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1Cl 82161220 DQABTASHQLYTER-HNNXBMFYSA-N 327.827 3.829 0 50 EHAA CCO[C@H]1C[C@@H](N(C)Cc2ccc(C(=O)O)cc2)C12CCCCC2 263578084 SGMDMMYTNAPZNE-MSOLQXFVSA-N 331.456 3.945 0 50 EHAA Cc1cccc2c1N(C(=O)CCCc1nnc(-c3ccccc3)o1)CC2 193333985 SEFLBKKKOJTOAE-UHFFFAOYSA-N 347.418 3.957 0 50 EHAA CSc1ccc(C(=O)N2CCC(OCc3cccnc3)CC2)cc1 82160410 FGVVSKXKYGTVKJ-UHFFFAOYSA-N 342.464 3.625 0 50 EHAA CCOc1ccc2c(c1)[C@@H](NCc1ccn(-c3ccccc3)n1)CCO2 178068438 YUYXPVPYZRAXET-FQEVSTJZSA-N 349.434 3.884 0 50 EHAA FC(F)(F)c1nccc(N2CCC(OCc3ccccc3)CC2)n1 91847482 RMYZRPIDEHFGAJ-UHFFFAOYSA-N 337.345 3.681 0 50 EHAA CCc1ccc(CN(C)C(=O)Nc2ccnn2[C@@H](C)C(C)C)nc1 299803160 YQBIOYIAGVGVIG-AWEZNQCLSA-N 329.448 3.721 0 50 EHAA CC(C)[C@H](C)n1nccc1NC(=O)NCc1cccc2[nH]ccc12 299775560 JZMQTADHUXMHLV-ZDUSSCGKSA-N 325.416 3.903 0 50 EHAA Cc1cc(C(=O)NCCCSCc2ccc(Cl)cc2)nc(C)n1 825540748 JMSSMUQQQQBDRW-UHFFFAOYSA-N 349.887 3.800 0 50 EHAA Cc1cc(C)c2oc(=NCc3cnc(C(F)(F)F)s3)[nH]c2c1 1875265316 GVBZINUCNDSPHB-UHFFFAOYSA-N 327.331 3.954 0 50 EHAA O=C(Nc1cc(Cc2ccccc2)ccn1)c1cccc2ccnn12 1875341187 KBLZRPGHKMVSIR-UHFFFAOYSA-N 328.375 3.572 0 50 EHAA COc1cc(CNC(=O)N2C[C@H]3CCC[C@H]2C3)ccc1OC(C)C 891838010 WCHIDTKOPBZGAN-HOTGVXAUSA-N 332.444 3.566 0 50 EHAA O=S(=O)(Cc1ccccc1F)Nc1cccc(Br)c1 16578457 JHSZUFCEKPLEQZ-UHFFFAOYSA-N 344.205 3.530 0 50 EHAA C[C@@H]1CN(c2ccccc2NC(=O)Nc2ccc(O)cc2)C[C@@H](C)O1 186564316 QEIWWDMULXXFOS-ZIAGYGMSSA-N 341.411 3.650 0 50 EHAA O=C(O)CCCCCCNCc1ccc(OCc2ccccn2)cc1 170612904 CLFIWLPVGOVADR-UHFFFAOYSA-N 342.439 3.785 0 50 EHAA Cc1nc2ccccc2nc1CS[C@H](C)C(=O)N1CCCCC1 194092750 UIMICPGSNFYFOL-CQSZACIVSA-N 329.469 3.572 0 50 EHAA CCN1CCC[C@H]1CN(CCc1ccc(F)cc1)Cc1cccnc1 1506402387 OCFUUNCMOGXJEI-NRFANRHFSA-N 341.474 3.750 0 50 EHAA COc1ccc(C)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 583254 QKWGFEZCOOJFEH-UHFFFAOYSA-N 325.817 3.766 0 50 EHAA COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 615595 CMTKXUWNUYZHHV-UHFFFAOYSA-N 329.780 3.597 0 50 EHAA CCc1c(C)noc1NC(=O)c1csc(Cc2ccccc2)n1 1529139248 NHRXUUSAVADTLL-UHFFFAOYSA-N 327.409 3.845 0 50 EHAA O=C(O)c1c(NCCN2CCCCC2)noc1-c1ccc(Cl)cc1 1704307332 WRJMGJQMBXTWKC-UHFFFAOYSA-N 349.818 3.591 0 50 EHAA CC(C)SCc1nnc2sc(-c3cccc(N(C)C)c3)nn12 1776111039 PIFMHPMPKJNAGN-UHFFFAOYSA-N 333.486 3.560 0 50 EHAA Cc1cc(C(=O)Nc2ccc(I)cc2)c(C)o1 13325643 WWGXYDCTLTXJQJ-UHFFFAOYSA-N 341.148 3.753 0 50 EHAA O=C(NC[C@H]1Cc2cc(F)cc(-c3ccccn3)c2O1)c1ccccc1 11841797 DPZRHGGPDYWEJX-QGZVFWFLSA-N 348.377 3.621 0 50 EHAA Cc1c(C(=O)NC(C)C)sc2ncnc(NCc3cccs3)c12 11882057 NXFKWLBLULPGRC-UHFFFAOYSA-N 346.481 3.812 0 50 EHAA C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)OCO2 12383731 MNKZVIMERAPBOU-JTQLQIEISA-N 335.762 3.628 0 50 EHAA COc1ccc(C(=O)N[C@@H](C)c2cnn(-c3ccccc3C)c2C)cc1 12710597 NRRMZMBSNBWFNV-HNNXBMFYSA-N 349.434 3.989 0 50 EHAA COC(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 14397575 YNDJXUHJAMRXKP-UHFFFAOYSA-N 338.407 3.716 0 50 EHAA CCN1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 19939945 LBQWVRMSTVGYTG-LJQANCHMSA-N 340.492 3.684 0 50 EHAA OCC[C@H]1CN(CCCC2CCCC2)CCN1Cc1cccs1 200583482 FNKSPMZVRZKNPM-SFHVURJKSA-N 336.545 3.587 0 50 EHAA Cc1cc(OCCCn2cnc3ccccc3c2=O)ccc1Cl 2863146 CHCSDYDVPIJJPB-UHFFFAOYSA-N 328.799 3.827 0 50 EHAA Cc1cccc(-c2noc(CNC(=O)c3ccccc3Cl)n2)c1 4866781 YVEBJAPDOCFUIS-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA COc1ccc([C@@H](CN2CCCC2)NC(=O)c2ccoc2Cl)cc1 225497108 XRNKOXCHRFBUNI-MRXNPFEDSA-N 348.830 3.509 0 50 EHAA CCCc1ccc(CN2CCC[C@@]3(CCc4cnc(C)nc43)C2)o1 1704333390 ZDPMUFQEZMTQLE-HXUWFJFHSA-N 325.456 3.811 0 50 EHAA CCc1nc(C2(NC(=O)c3cc(F)cc4ccoc34)CCCC2)no1 934067233 VZMJUARFBJJIAG-UHFFFAOYSA-N 343.358 3.717 0 50 EHAA FC(F)c1cccc(I)c1Br 238702590 ZTMQWHWHPGZHNO-UHFFFAOYSA-N 332.913 3.991 0 50 EHAA C[C@@]1(C(=O)Nc2nnc(C3CCC3)s2)[C@@H]2c3ccccc3C[C@H]21 2325781911 CAUZUEOCHNBESA-LBTNJELSSA-N 325.437 3.720 0 50 EHAA CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCc2cc(C(=O)O)ccc2C1 2325880206 YKLFVBDKMQKSOW-XWIAVFTESA-N 329.440 3.575 0 50 EHAA CCn1cnnc1-c1cccc(NCc2c(Cl)n[nH]c2C2CC2)c1 921876639 YKOSFWZIRTXPKX-UHFFFAOYSA-N 342.834 3.831 0 50 EHAA Nn1c(SCc2c(Cl)cccc2Cl)nnc1C(F)(F)F 145751 KYGDIDONGBJVEE-UHFFFAOYSA-N 343.161 3.610 0 50 EHAA O=C(O)c1cc(Cl)cn(Cc2ccc(Cl)cc2Cl)c1=O 170489 KQPVAFFLHGYNMP-UHFFFAOYSA-N 332.570 3.555 0 50 EHAA NNc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1 273399 HRTJDFZRPAYGEZ-UHFFFAOYSA-N 341.212 3.859 0 50 EHAA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1CO 282051 OSLSGUOIVBAQMW-JTQLQIEISA-N 340.206 3.892 0 50 EHAA COc1ccc(NC(=O)c2ccc(SC)cc2OC)c(OC)c1 337661 RLERREQWKNKBJZ-UHFFFAOYSA-N 333.409 3.687 0 50 EHAA COc1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1 452930 AEAKDPILEQCPAA-UHFFFAOYSA-N 326.377 3.568 0 50 EHAA O=C(Cc1ccc(Br)cc1)N1CCCc2ccccc21 456965 FFUUWEJJPMIGEF-UHFFFAOYSA-N 330.225 3.971 0 50 EHAA COc1cccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c1 578901 SVBLCCQCHOHQIN-UHFFFAOYSA-N 348.402 3.881 0 50 EHAA COc1ccc(OC)c(/C=C2\N=C(c3ccccc3Cl)OC2=O)c1 2054500 IRSFSYSLKRIWPP-GDNBJRDFSA-N 343.766 3.702 0 50 EHAA CN(C)CCCN(CCCN(C)C)Cc1ccc(Cl)c(Cl)c1 2489800 HKXARNZRMUNZBX-UHFFFAOYSA-N 346.346 3.699 0 50 EHAA COC(=O)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl 3074862 NORZTEYUSQBWGY-UHFFFAOYSA-N 343.248 3.877 0 50 EHAA Cc1ccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1 4487572 WEZWQIQZLPZYMQ-UHFFFAOYSA-N 336.376 3.557 0 50 EHAA CC(C)(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 4723317 HMVHYFSTMMXDBW-UHFFFAOYSA-N 339.391 3.673 0 50 EHAA Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)O)cc1C 4953610 OCTDCEGNXUXKIK-UHFFFAOYSA-N 333.771 3.673 0 50 EHAA Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccc(F)cc1F 4998713 UMFDZDDWCUNWAV-UHFFFAOYSA-N 328.318 3.679 0 50 EHAA O=S(=O)(c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 5947541 LIXYWYGLRUVSSW-OAHLLOKOSA-N 344.461 3.822 0 50 EHAA CCCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Cl 6744426 WEUWZYGTTMKDRP-STQMWFEESA-N 345.892 3.795 0 50 EHAA CCOCCOc1ccc(NC(=O)c2cccc(OCC)c2)cc1 9878953 WTHGYPZLTPLPGW-UHFFFAOYSA-N 329.396 3.753 0 50 EHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](NC1CCCC1)C3 14995797 ZTSDLKZHHDNFBK-CQSZACIVSA-N 345.512 3.648 0 50 EHAA COc1cccc(CN2CCN(Cc3ccc(SC)cc3)CC2)c1 19363312 WWTNCOWVNRUMTB-UHFFFAOYSA-N 342.508 3.735 0 50 EHAA O=C(Nc1ccnn1Cc1ccco1)C12CC3CC(CC(C3)C1)C2 28580807 AOGKMJVLHHVCQR-UHFFFAOYSA-N 325.412 3.679 0 50 EHAA CCC(CC)n1nc(C)cc1NC(=O)Cc1nc2ccccc2o1 55132496 DVFLISROIRLINW-UHFFFAOYSA-N 326.400 3.875 0 50 EHAA CCCC(=O)Nc1cccc(C(=O)N[C@H](C)c2cccc(OC)c2)c1 55182650 GJMHJRAFJUICKL-CQSZACIVSA-N 340.423 3.925 0 50 EHAA Cc1cccc(C)c1CN1CCC[C@@]2(CCN(C(=O)C(C)C)C2)C1 67514634 ZYXNZANMYVHLRT-OAQYLSRUSA-N 328.500 3.774 0 50 EHAA COc1cc(-c2nccn2CCc2cccs2)cc2c1OCO2 71751621 XRZJBMMUQIKQQU-UHFFFAOYSA-N 328.393 3.592 0 50 EHAA Cc1ccc(F)cc1NC(=O)N1CCCC[C@@H]1CCn1ccnc1 72159453 BFVVDHZIDCYPFY-MRXNPFEDSA-N 330.407 3.807 0 50 EHAA COc1ccccc1OC1CN(Cc2cc(-c3ccccc3)no2)C1 72161945 RWMGPNCHTAKUSY-UHFFFAOYSA-N 336.391 3.613 0 50 EHAA Cc1nc(CN2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)cs1 91663898 JVTCYPCKGQXCHD-IBGZPJMESA-N 347.528 3.599 0 50 EHAA CCc1ccc(CN(C)C(=O)c2c[nH]nc2C2CCCCC2)nc1 91780571 AGSWLCARVRNYDI-UHFFFAOYSA-N 326.444 3.687 0 50 EHAA O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[C@H]1c1cccs1 91820204 WRXSUTIVRYZNJI-HNNXBMFYSA-N 327.384 3.865 0 50 EHAA ClC1(Cl)[C@H]2C[C@@H]3[C@@H](C[C@H]21)C3(Br)Br 101047524 IYBTUQYJFCIAQN-KAZBKCHUSA-N 334.866 3.932 0 50 EHAA CCOc1ncccc1CNC(=O)N1CCC[C@@]2(CC=CCC2)C1 114517817 YXATWSSVDJHBIH-IBGZPJMESA-N 329.444 3.512 0 50 EHAA CC(C)(C)[C@@H](NC(=O)Cn1cnc(-c2ccccc2)n1)c1ccccc1 123704335 OMRPUZKLQLUDKI-IBGZPJMESA-N 348.450 3.849 0 50 EHAA CCOc1ccccc1CN(C)Cc1cn(C)nc1-c1cccnc1 130433679 UIZMNQFVNFCCFI-UHFFFAOYSA-N 336.439 3.513 0 50 EHAA CN(C(=O)c1cnn(-c2ccccc2Cl)c1)c1cccc(F)c1 153485490 QPWAZRFPBGPWCI-UHFFFAOYSA-N 329.762 3.941 0 50 EHAA Cc1ccc(-c2nc([C@@H]3CC(=O)N(C4CCCCC4)C3)no2)cc1F 169762180 AUHUXLOTGRAHHQ-CQSZACIVSA-N 343.402 3.833 0 50 EHAA CCCO[C@H]1CCCN(C(=O)Nc2cccc(N(C)C)c2C)CC1 180146111 MMKYOZIWLDDCBL-INIZCTEOSA-N 333.476 3.874 0 50 EHAA Cc1cc(CCCC(=O)N2CCC[C@H](CCC(=O)O)C2)c(C)s1 237604623 QJHRRNHSPKUUPS-OAHLLOKOSA-N 337.485 3.791 0 50 EHAA FC(F)Oc1ccc(Br)cc1I 238526432 QJBYPLBWCKHTNF-UHFFFAOYSA-N 348.912 3.655 0 50 EHAA in-vitro O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2[C@@]23CCCC[C@@]12CC3 247752393 UEUJJEIJBISRCK-YVJBSZDSSA-N 333.431 3.949 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1csc(Br)c1 250766904 KURVSLROBQZXAG-TUAOUCFPSA-N 344.274 3.728 0 50 EHAA COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](CC(C)C)n1cccc1 253401730 FUYPCZISGMBSJS-QGZVFWFLSA-N 343.427 3.681 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(-c2cccs2)on1 261835534 YBEWNTSWBHWLMF-UBHSHLNASA-N 332.425 3.621 0 50 EHAA COCC1=CCN(C(=O)Nc2nc3cc(F)c(C)cc3s2)CC1 280458849 HVLGHLYOWKWGOM-UHFFFAOYSA-N 335.404 3.554 0 50 EHAA COc1cc(N[C@@H](C)c2cc(C)ccn2)ccc1N1CCCC1=O 286075638 LGMRBBCDWMYTHG-AWEZNQCLSA-N 325.412 3.699 0 50 EHAA COc1ccccc1N1CC[C@@H](CNC(=O)Nc2cccc(C)c2)C1 299540665 HHABMBWWXFSKMW-INIZCTEOSA-N 339.439 3.652 0 50 EHAA CC(C)c1ncsc1C(=O)N1CCC(CCCn2ccnc2)CC1 331629373 HUDMLWIUQXOJMV-UHFFFAOYSA-N 346.500 3.796 0 50 EHAA Cc1nnc(N(CCC(C)C)C(=O)[C@H]2CO[C@H](C)C2)c2ccccc12 331987196 UGENTOMVEVKJGR-GDBMZVCRSA-N 341.455 3.742 0 50 EHAA CC(C)n1cc2cc(NC(=O)c3cc(-c4ccco4)[nH]n3)ccc2n1 346273267 OGDRYRXFBMESAC-UHFFFAOYSA-N 335.367 3.853 0 50 EHAA CCC(CC)c1cc(CNC(=O)N2CCOC[C@@H](C3CCC3)C2)on1 366223469 XYQSYZICIPSNIV-INIZCTEOSA-N 349.475 3.536 0 50 EHAA O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1c[nH]nc1-c1ccc(F)cc1 463992251 TVZGPIIDKOTDCZ-CRAIPNDOSA-N 335.382 3.577 0 50 EHAA CO[C@@H]1C[C@H](c2nnc(C)o2)N(C(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)C1 779846501 MXVRDGLOPPWSFK-DTZQCDIJSA-N 349.475 3.519 0 50 EHAA COc1c(Cl)cc(-c2nnc([C@@H]3CCCOC3)o2)cc1Cl 886044655 IASQCOANRAPLTI-MRVPVSSYSA-N 329.183 3.946 0 50 EHAA O=C(O)c1ccc(CN2CCC[C@H]2COc2ccc(F)cc2)c(F)c1 903947293 WXRYEWOWPQZCLX-INIZCTEOSA-N 347.361 3.706 0 50 EHAA CCOc1ccc(C=Cc2nc3c(s2)CCC[C@@H]3C(=O)NC)cc1 1857531873 CXDVIJWIXBUIHZ-HNNXBMFYSA-N 342.464 3.878 0 50 EHAA C[C@H]1CN(C(=O)c2ccc3c(c2)CCCCN3)Cc2ccccc2O1 1875362602 MEXPWDMHGDCJPN-HNNXBMFYSA-N 336.435 3.858 0 50 EHAA CCN(C(=O)c1sc([C@@H](C)N)nc1C)c1ccc2[nH]ccc2c1 2325795802 ZXOGEPZJASOSIX-SNVBAGLBSA-N 328.441 3.619 0 50 EHAA CN(C(=O)NC[C@@H]1C[C@@H]2CC[C@@H]21)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C 2325824106 PJQMJLYKWXZKLH-JAQSECSASA-N 342.483 3.920 0 50 EHAA Cn1nc(N=c2[nH]cnc3c(-c4ccccc4)nsc23)cc1C1CC1 2325839883 HVHQVBMBMCCAPP-UHFFFAOYSA-N 348.435 3.530 0 50 EHAA C[C@H]1CN(Cc2cnc(-c3ccccc3)nc2)c2ccccc2CN1 2325858330 IULGATJWVAALOS-INIZCTEOSA-N 330.435 3.642 0 50 EHAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)O)cc1 28123 SZIOAQJGSJGHJR-UHFFFAOYSA-N 340.162 3.709 0 50 EHAA CC(=O)COc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 91055 IUUDXGYYEJIRRZ-UHFFFAOYSA-N 336.387 3.968 0 50 EHAA biogenic Cc1cccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1C 122237 NHBDDDSGSXMWRW-UHFFFAOYSA-N 341.407 3.886 0 50 EHAA CCN(CC)C(=O)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 239645 SSZGFUHBLYAGJB-HNNXBMFYSA-N 342.405 3.786 0 50 EHAA O=C(c1cccc(Br)c1)c1c[nH]nc1-c1ccccc1O 315295 WKGHPPLXWUENMX-UHFFFAOYSA-N 343.180 3.776 0 50 EHAA Cc1ccc(Oc2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 461850 MGMCLSRQWGSZBY-MRXNPFEDSA-N 337.375 3.562 0 50 EHAA COc1ccc(CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 469106 PNTGBAPNZCNQMM-UHFFFAOYSA-N 341.451 3.974 0 50 EHAA COc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1OC 612014 GWKWYQYOSFSKBE-UHFFFAOYSA-N 334.803 3.721 0 50 EHAA CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 1112353 OQCKICUAYHSSRX-CQSZACIVSA-N 342.826 3.894 0 50 EHAA CN(C)CCCN(CCCN(C)C)Cc1ccc(Cl)cc1Cl 2489847 NLNAEKPQMFSZTH-UHFFFAOYSA-N 346.346 3.699 0 50 EHAA Cc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)C[C@H]2C)cc1 2857706 SEEJGXIORJTIIK-OAHLLOKOSA-N 327.403 3.877 0 50 EHAA CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O[C@@H](C)C(=O)O 4387703 HIQCVTLJKKHOBY-LBPRGKRZSA-N 338.359 3.874 0 50 EHAA CCCN(CC1CC1)C(=O)C1CCN(Cc2ccc(C)cc2)CC1 4725528 VQLGKTPORHBRJR-UHFFFAOYSA-N 328.500 3.856 0 50 EHAA CCc1c(C(=O)Nc2nnc(-c3ccc(OC)cc3)o2)csc1C 4749171 SJJTYDSBZLPWGR-UHFFFAOYSA-N 343.408 3.930 0 50 EHAA CCNC(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 4777199 RUOOHICDRVHNPP-UHFFFAOYSA-N 328.416 3.601 0 50 EHAA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccccc2F)CC(=O)N1 4913445 OGJLWWCWFADJLE-INIZCTEOSA-N 345.414 3.969 0 50 EHAA COc1ccc(C(=O)c2c[nH]c(C(=O)N(C(C)C)C(C)C)c2)cc1 5522535 QBMSQASTEJGMJL-UHFFFAOYSA-N 328.412 3.513 0 50 EHAA O=C(c1ccc(Oc2ccccc2)o1)N1CCC[C@@H](c2ccn[nH]2)C1 11784809 NHYXFSQPLSONGD-CQSZACIVSA-N 337.379 3.815 0 50 EHAA CC(C)CN1CCC[C@H]1C(=O)Nc1ccc(-c2cscn2)cc1 12076230 JPHQYXPDXBWILV-KRWDZBQOSA-N 329.469 3.869 0 50 EHAA O=C(CCC(F)(F)F)N1CCc2onc(-c3ccccc3F)c2C1 12477285 RXGUWRSQQDSMOX-UHFFFAOYSA-N 342.292 3.708 0 50 EHAA O=C(Nc1cccc(F)c1)N1CCN(Cc2cccc(Cl)c2)CC1 16551444 BKKWQAUGCZBVQT-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA CCCc1c(C)nc(Nc2nc(C)c3cc(C)cc(C)c3n2)[nH]c1=O 16650939 RXWPLZUPQNKBKE-UHFFFAOYSA-N 337.427 3.643 0 50 EHAA FC(F)(F)c1cccc(C[C@H]2CN(Cc3cccnc3)CCO2)c1 19642773 CFSXIKGJOWNJPY-KRWDZBQOSA-N 336.357 3.544 0 50 EHAA CN(C)C(=O)CCc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 30766149 ZHSGVNJYSIKGLT-UHFFFAOYSA-N 344.842 3.542 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3cccs3)on2)on1 33269730 GXADDFIISIRMBW-GFCCVEGCSA-N 329.381 3.677 0 50 EHAA Cc1oc(-c2ccco2)nc1Cn1c(CCCO)nc2ccccc21 67855229 NQHYQQGVROGHGG-UHFFFAOYSA-N 337.379 3.566 0 50 EHAA CCOc1ccc(Oc2ccccc2CN2CCN(C)CC2)cc1 67872818 AOHNNOLIUTXRKU-UHFFFAOYSA-N 326.440 3.625 0 50 EHAA COc1cc2c(cc1CN1CCC[C@@H]1c1ccccn1)OCCCO2 72143878 AVJPNKZEPHOBPE-QGZVFWFLSA-N 340.423 3.589 0 50 EHAA Cc1cc(N[C@@H](CCn2ccnc2C)c2ccccc2)n2nccc2n1 72421467 JJQRKRDTWCZRSU-SFHVURJKSA-N 346.438 3.786 0 50 EHAA O=C(CCc1ccco1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72421766 AMVHFMMWYHNQIU-QGZVFWFLSA-N 341.386 3.981 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)NCCCNc3cccnc3)c2c1 77459449 VLOUUYNRGOREJG-UHFFFAOYSA-N 348.450 3.787 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c(-c2ccccc2)o1 77488826 CBWHFRZZXJMUBE-MRXNPFEDSA-N 335.407 3.998 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N3CC(N4CCCC[C@H]4C)C3)c2c1 77520970 KFOGMWBFUPCYRW-MRXNPFEDSA-N 337.467 3.550 0 50 EHAA CC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)c1cc(Cl)ccc12 91301486 XWDPBBOKRCHLBT-UHFFFAOYSA-N 337.803 3.737 0 50 EHAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Cc4ccncc4)cc3)C(=O)[C@@H]2C1 95483124 RJHNCKCYNUVAMZ-MDASCCDHSA-N 334.419 3.598 0 50 EHAA CCOc1ccc(NC(=O)NCCCNc2ccc(C)cn2)c(F)c1 96162498 OZSJFTXBYCYHAI-UHFFFAOYSA-N 346.406 3.552 0 50 EHAA COc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(O)c2)cc1F 112434246 BLJSLBDXVJHHOX-NWDGAFQWSA-N 332.375 3.661 0 50 EHAA C[C@H](NC(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccc2ccccc2c1 116521933 FIPLAFIIVKDCON-HNAYVOBHSA-N 348.450 3.833 0 50 EHAA CC[C@@H](NS(=O)(=O)c1cc(C)ccc1Cl)c1c(C)noc1C 128535104 WLSFMPRRPCBGBH-CYBMUJFWSA-N 342.848 3.683 0 50 EHAA CCc1noc(CC)c1CC(=O)Nc1ccc2nc(OC)ccc2c1 131916505 XNDDBGZLQHCGSA-UHFFFAOYSA-N 339.395 3.537 0 50 EHAA COc1ccc(NC(=O)c2ccccc2CCc2ccccc2)nn1 170598556 FHYTYVAKSNSYBJ-UHFFFAOYSA-N 333.391 3.523 0 50 EHAA COc1ccc2c(c1)N(C(=O)[C@H](C)O[C@@H]1CCC[C@H](C)C1)C[C@H](C)O2 170640672 HFYWCTHZPVDVME-QBYUYEEZSA-N 347.455 3.793 0 50 EHAA Cc1cccc(-c2ncc(CN3CCC(Cn4cccn4)CC3)cn2)c1 215323884 XFDFEYMUZFJPNT-UHFFFAOYSA-N 347.466 3.561 0 50 EHAA Cc1sc(CNC[C@H](O)c2ccsc2)cc1Br 231979308 QQIDNZVCFILPHI-LBPRGKRZSA-N 332.288 3.704 0 50 EHAA CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C)c1ncon1 242302100 YPNNXYZILAHQPS-ZYHUDNBSSA-N 341.333 3.535 0 50 EHAA COc1ccc(OCC2CCN(Cc3ccncc3C)CC2)cc1 243932077 BSGHRTXPDADXHL-UHFFFAOYSA-N 326.440 3.690 0 50 EHAA CN(Cc1ccc2c3c(cccc13)C(=O)OC2)C[C@@H]1CCCCO1 244773727 PFJHGMJHLSQUHO-INIZCTEOSA-N 325.408 3.511 0 50 EHAA C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCCC[C@H]1c1nccs1 246748077 RTAXNTAUALBUKV-IVMMDQJWSA-N 328.437 3.761 0 50 EHAA Cc1ccc(C2=NO[C@@H](CNC(=O)c3sccc3Cl)C2)cc1 286107322 XCYFIERSRCGHEP-GFCCVEGCSA-N 334.828 3.633 0 50 EHAA O=C(NCC1(c2cccc(F)c2)CC1)N1CCCC[C@@H]1c1cc[nH]n1 287630604 ZMZBUOGEOWLKEB-QGZVFWFLSA-N 342.418 3.517 0 50 EHAA O=C(NC[C@@H]1CCCN1)c1cccc(-c2ccccc2C(F)(F)F)c1 299800970 XKCWYROBXZCUAX-HNNXBMFYSA-N 348.368 3.854 0 50 EHAA Cc1cc(COCC(=O)N2CCCCc3c(Cl)cccc32)on1 328768861 BXVCFLLHMUYAOZ-UHFFFAOYSA-N 334.803 3.523 0 50 EHAA C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)NCC1(C2CC2)CCC1 332842354 OHCSRBLJKDIMNS-SCTDSRPQSA-N 334.504 3.682 0 50 EHAA CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N1CCn2nc(C)nc2C1 375883250 AVELHXYJMRCWIA-LFDOHDQPSA-N 344.503 3.561 0 50 EHAA COc1ccccc1O[C@H]1CCCN(Cc2cncn2C(C)C)C1 425343681 CNNRNNXNWIYJOE-KRWDZBQOSA-N 329.444 3.516 0 50 EHAA Cc1cc(-c2ccc(C(=O)N3CCCC[C@@H]3CN)cc2)ccc1F 426593539 BXYSWRWBNRIHHH-GOSISDBHSA-N 326.415 3.755 0 50 EHAA O=C(Nc1ccc(F)nc1F)N[C@H]1CC2(CCC2)Oc2ccccc21 844677494 QARMWJUAPUYAGW-ZDUSSCGKSA-N 345.349 3.928 0 50 EHAA Cc1cccc2c(CCNCc3cccc(C(=O)N(C)C)c3)c[nH]c12 921775327 GQPAUNVMPZIYBW-UHFFFAOYSA-N 335.451 3.510 0 50 EHAA CC(C)(C(=O)O)C(=O)Nc1ccc(OCc2ccco2)c(Cl)c1 1875266655 QFZJOQMSKIUACU-UHFFFAOYSA-N 337.759 3.561 0 50 EHAA O=C(NCc1ccc2sccc2c1)c1ncoc1[C@H]1CCCCN1 2325801566 NMTNQFGDYQRVPC-CQSZACIVSA-N 341.436 3.634 0 50 EHAA COc1ccc2[nH]c(CN[C@@H](C)c3ccc4nc(O)[nH]c4c3)cc2c1 2325855902 TUXUDFWARIUIDX-NSHDSACASA-N 336.395 3.609 0 50 EHAA CCOC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 268274 QDRZOZRORMDXHU-UHFFFAOYSA-N 348.371 3.879 0 50 EHAA Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C)n3)cc2)n1 322721 PQXNYGMKOAGDNH-UHFFFAOYSA-N 346.390 3.598 0 50 EHAA O=C(Nc1cccc2ccccc12)[C@@H]1CC(=O)N(c2ccccc2)C1 327472 BUNRJIXMCUTRIW-MRXNPFEDSA-N 330.387 3.831 0 50 EHAA O=C(COc1ccc(Br)cc1Cl)Nc1nccs1 358542 XSEBBOASNOYEPD-UHFFFAOYSA-N 347.621 3.577 0 50 EHAA Fc1ccc(N2CCN(C(=S)Nc3cccc(Cl)c3)CC2)cc1 452194 FQZMRHQENPHHRQ-UHFFFAOYSA-N 349.862 3.998 0 50 EHAA Cc1cccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)n1 469696 GJIRMTIXRSDLLU-UHFFFAOYSA-N 343.452 3.552 0 50 EHAA CC(C)C[C@H]1C[C@@](C)(C(=O)CSc2nc3ccccc3[nH]2)OC1=O 497183 ZKFXBZCHWHGLSR-SGTLLEGYSA-N 346.452 3.592 0 50 EHAA COc1ccc(C(=O)c2sc(Nc3ccccc3F)nc2N)cc1 551772 UZCXGIBFDYIYKW-UHFFFAOYSA-N 343.383 3.848 0 50 EHAA Cc1cc(=O)oc2c(C)c(OCC(=O)OCc3ccccc3)ccc12 616232 FZWCTTUGDBJCQV-UHFFFAOYSA-N 338.359 3.532 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 617778 OPKGUGLIIPTPHZ-UHFFFAOYSA-N 325.817 3.848 0 50 EHAA Cc1nc2sc(C(=O)NCc3ccco3)c(N)c2c(C)c1Cl 1428499 YMZFJSUCDCNIHR-UHFFFAOYSA-N 335.816 3.672 0 50 EHAA Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCO3)c(C)c1 1913919 QMQZDBJEELVYRZ-UHFFFAOYSA-N 327.380 3.830 0 50 EHAA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccccc2)cc1 4011229 OVDBCSFTRVIBHF-GOSISDBHSA-N 336.391 3.545 0 50 EHAA O=C(Nc1cccnc1)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 4058278 CRUALRMPHFCKNP-CQSZACIVSA-N 336.178 3.520 0 50 EHAA COc1cc(C)c(NC(=O)Cn2cc(C=O)c3ccccc32)cc1C 4757632 VDEIWPCEAGRPMJ-UHFFFAOYSA-N 336.391 3.718 0 50 EHAA CCOc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1 6715097 GVTVQPOJVPPCPR-UHFFFAOYSA-N 336.189 3.887 0 50 EHAA CCCCNC(=O)N1CCC[C@H](C(=O)c2ccccc2SC)C1 11934324 AFJBNDVPVYOKLW-AWEZNQCLSA-N 334.485 3.813 0 50 EHAA COc1cccc(CC[C@H]2CCCN(Cc3cnn(C)c3C)C2)c1 12072541 UUUWDDFGJAISNM-GOSISDBHSA-N 327.472 3.582 0 50 EHAA CCn1ncc(CNC(=S)Nc2ccccc2C(F)(F)F)c1C 13772561 OWVUSHHDKIHODT-UHFFFAOYSA-N 342.390 3.717 0 50 EHAA C[C@H](Oc1ccc(F)cc1)c1nn2c(=O)c3ccccc3nc2s1 17071372 TVPHZHCGWKEBPA-JTQLQIEISA-N 341.367 3.583 0 50 EHAA Cc1cccc(-n2c(=S)[nH]c(=O)c3c(C(F)F)cc(C)nc32)c1 20604504 ZYEFFCNBAKYMQJ-UHFFFAOYSA-N 333.363 3.998 0 50 EHAA CCCNc1cc(C)nc2c(C)c(-c3ccc(OC)c(OC)c3)nn12 23118911 CNKAKPAUMVZION-UHFFFAOYSA-N 340.427 3.852 0 50 EHAA CC(C)CCn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387647 AGFUOZWHEFRNTM-UHFFFAOYSA-N 332.407 3.757 0 50 EHAA COc1c(C)cccc1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 67920388 CAIYDYHWPVAUIY-QGZVFWFLSA-N 345.826 3.871 0 50 EHAA COC[C@H](O)Cn1ccnc1-c1cccc2c1sc1ccccc12 71439426 XZWSRZGSPZLPDX-CYBMUJFWSA-N 338.432 3.925 0 50 EHAA CCN(CC)C(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 71746034 ZOYUUNCKXWGFLN-LJQANCHMSA-N 342.439 3.684 0 50 EHAA c1ccc(-c2cc(N3CCC4(CCCO4)CC3)n3nccc3n2)cc1 72166250 CBFNPDQPUAIMDE-UHFFFAOYSA-N 334.423 3.546 0 50 EHAA CN(Cc1cc(-c2ccccc2)no1)C(=O)CCc1ccsc1 72435280 MRPNEPLMBNNGPR-UHFFFAOYSA-N 326.421 3.994 0 50 EHAA O=C(c1ccc2occc2c1)N1CCCC[C@H]1CCN1CCCC1 91779096 AMMCTTLCGGHFPY-SFHVURJKSA-N 326.440 3.913 0 50 EHAA CCCCc1ncc(CN2CCC[C@H](c3cccc(C(=O)O)c3)C2)[nH]1 95358968 PGUXCDNQZHMIDV-KRWDZBQOSA-N 341.455 3.830 0 50 EHAA O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)[C@H]1CCCNC1 159521979 IOHCVBXRMKVLRG-ZDUSSCGKSA-N 339.370 3.572 0 50 EHAA Cc1cccc(NC(=O)Cc2nc(-c3c(C)noc3C)cs2)c1 170599413 VSIGYXZIPCZFFZ-UHFFFAOYSA-N 327.409 3.905 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1nc2cc(F)ccc2o1 190417267 LNOXTJDFFIAEKR-WFASDCNBSA-N 330.363 3.516 0 50 EHAA O=C(O)CC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)s2)C1 238021798 OEFITTPOAFWXHD-CYBMUJFWSA-N 344.436 3.527 0 50 EHAA O=c1ccnc2sc(Oc3ccc(OC4CCCCC4)cc3)nn12 241160532 JYADTUVYWUXOMG-UHFFFAOYSA-N 343.408 3.655 0 50 EHAA O=C([C@H]1CC[C@@H](O)CC1)N1CCC[C@H](CCc2ccc(F)cc2)C1 244626717 FRFBCWFICCZYHA-LMMKCTJWSA-N 333.447 3.548 0 50 EHAA Cc1nn(C2CCCCC2)c2c1[C@H]([C@H]1CC[C@@H](N)CC1)CC(=O)N2 244716010 LGSYQKLZYLVFJQ-LZWOXQAQSA-N 330.476 3.640 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 257357216 MRURHGKZPVRRKA-QEHOSYAESA-N 330.468 3.982 0 50 EHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2csc(N)n2)ccc1F 299796654 RQVLXLDEWUDUQB-BTTYYORXSA-N 345.443 3.724 0 50 EHAA Cc1cc(C)c(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)c(C)n1 331924320 VRSZSENGCAECQF-QGZVFWFLSA-N 343.402 3.751 0 50 EHAA CC[C@H](COC)NC(=O)Nc1cc(-c2cncc(F)c2)ccc1C 374796795 VXLWNQFXKCFASP-MRXNPFEDSA-N 331.391 3.743 0 50 EHAA CC[C@@H](NC(=O)C(C)(C)Nc1ccc(OC)cc1)c1ccncc1 584899869 CZRGTSJCXVWNJO-QGZVFWFLSA-N 327.428 3.548 0 50 EHAA COc1ccc2ccccc2c1CNC(=O)NC[C@H]1CCC[C@@H](C)O1 660271870 GXSVKLPOCVFHNV-GDBMZVCRSA-N 342.439 3.605 0 50 EHAA CC(C)c1nc([C@H]2CCCN2Cc2nccc3c2CCCC3)no1 891878693 WURFLXSELZAIJK-QGZVFWFLSA-N 326.444 3.804 0 50 EHAA CC[C@@H](C)Oc1ccccc1CNC(=O)C1(N2CCCC2)CCCC1 952965623 FEFGIPYPMYWISR-QGZVFWFLSA-N 344.499 3.889 0 50 EHAA c1ccc([C@H](Cn2cccn2)NC2CCC3(CCNCC3)CC2)cc1 952973208 MWAYQTQZRYCZEP-FQEVSTJZSA-N 338.499 3.526 0 50 EHAA Cc1ccsc1[C@H](CNC1CCN(Cc2ccco2)CC1)N(C)C 1506418254 GOEDIRGKOXOYTP-SFHVURJKSA-N 347.528 3.506 0 50 EHAA COCc1ccc(C(=O)Nc2n[nH]c3cc(C(F)(F)F)ccc23)o1 1875250143 AXMXPFOUNJOJEX-UHFFFAOYSA-N 339.273 3.573 0 50 EHAA Cc1nc(CN(C)[C@@H](C(=O)O)c2ccccc2C(F)(F)F)cs1 1875266808 YWUQHPQPNPCUEK-CYBMUJFWSA-N 344.358 3.728 0 50 EHAA O=C(Nc1ccccc1)Nc1ccc(OC[C@H]2C[N@]2CC2CC2)cc1 1875383719 AEIMYCVQIQBAPW-JPYJTQIMSA-N 337.423 3.804 0 50 EHAA Cc1cccc(Br)c1CN[C@]1(c2ccccc2)C[C@H](O)C1 2325828634 MZOJFJACUJSUOD-RHNCMZPLSA-N 346.268 3.897 0 50 EHAA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1C(=O)O 41901 BRFXGVVYPHCOTN-SKDRFNHKSA-N 328.195 3.915 0 50 EHAA C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 50881 PRBVKBGBGXBEGR-DZGCQCFKSA-N 342.826 3.570 0 50 EHAA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)NC(=O)N1 71643 NKTVNOMBMWNAOQ-INIZCTEOSA-N 341.798 3.607 0 50 EHAA COc1ccccc1N1CCN(C(=S)Nc2ccccc2C)CC1 302096 LTWVANCFTGETKG-UHFFFAOYSA-N 341.480 3.523 0 50 EHAA CCOc1cccc(C(=O)Nc2sc(CC)cc2C(=O)OC)c1 442686 HSOLPTQUMKBNRD-UHFFFAOYSA-N 333.409 3.748 0 50 EHAA CC(=O)c1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1 454956 PFPGJURKVWANMW-UHFFFAOYSA-N 338.388 3.762 0 50 EHAA COc1ccc(OC)c(NC(=O)Nc2ccccc2OC(F)F)c1 611419 XOLWXYPXHNEYOL-UHFFFAOYSA-N 338.310 3.949 0 50 EHAA COC(=O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 1236777 GTUUZXIIJNPJSJ-UHFFFAOYSA-N 344.750 3.665 0 50 EHAA biogenic O=C(COc1ccc(Cl)cc1Cl)OCC(F)(F)C(F)F 2678972 NHZSBWINMJJNIX-UHFFFAOYSA-N 335.080 3.816 0 50 EHAA O=C(NCCc1ccccc1)c1cc(-c2cccc(Cl)c2)on1 3908239 LYFWFBLRBKUYNI-UHFFFAOYSA-N 326.783 3.968 0 50 EHAA Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1ncccc1C 4411689 AHWJEKIYRGQYAA-UHFFFAOYSA-N 331.224 3.806 0 50 EHAA COc1ccccc1NC(=O)c1c(NC(C)=O)sc2c1CCCC2 4550454 IKVVFLVUQPZZQZ-UHFFFAOYSA-N 344.436 3.846 0 50 EHAA CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ncccc1C 4970509 UVEBPRSVWPOVQM-UHFFFAOYSA-N 334.441 3.713 0 50 EHAA CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)s1 6952323 FUZJOJOAGWRMPE-SNVBAGLBSA-N 349.481 3.545 0 50 EHAA CCOC(=O)[C@H]1CCCN(C(=S)Nc2cccc(Cl)c2C)C1 8682418 OYRHOCSGNKHCRS-LBPRGKRZSA-N 340.876 3.620 0 50 EHAA Cc1ccc(CNC(=O)CCC(=O)Nc2cc(Cl)ccc2C)cc1 8782383 MCYSDSKPSHHSDR-UHFFFAOYSA-N 344.842 3.992 0 50 EHAA CN1CCC[C@]2(CCN(Cc3sc4ccccc4c3Cl)C2)C1=O 12298982 UUMOIBNWGNTFJM-GOSISDBHSA-N 348.899 3.999 0 50 EHAA CCOC(=O)CCNC(=O)c1ccc2nc(C3CCCCC3)oc2c1 12468233 FYBHCHQYYIRBLW-UHFFFAOYSA-N 344.411 3.559 0 50 EHAA CCN(Cc1nc(C(C)C)no1)C(=O)c1ccnc2ccc(C)cc12 19782347 MBKKSDBHUPEYEQ-UHFFFAOYSA-N 338.411 3.712 0 50 EHAA Cc1cc(N2CCN(c3ccccn3)CC2)nc2cc3c(cc12)CCC3 23633928 OCPCCSSWYBXSDP-UHFFFAOYSA-N 344.462 3.754 0 50 EHAA Cc1ccc2oc(SCC(=O)Nc3nc(C)c(C)s3)nc2c1 45068010 JCBPMLRVQNWRAG-UHFFFAOYSA-N 333.438 3.940 0 50 EHAA Cc1sc2ncnc(SCCC(=O)N3CCCCC3)c2c1C 49550185 APRQQNWISJLHSA-UHFFFAOYSA-N 335.498 3.803 0 50 EHAA CN1CC[C@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@H]12 53151191 PBHFNBQPZCRWQP-AZUAARDMSA-N 337.423 3.667 0 50 EHAA CSc1ccc(CN(CCO)Cc2c[nH]c3ccccc23)cc1 55414990 OSGGTZFPQCOOGL-UHFFFAOYSA-N 326.465 3.884 0 50 EHAA CCc1nn(-c2ccccc2)c(NC(=O)[C@H](CC)n2cccn2)c1C 63857333 NEXNVBMPCHHBMX-KRWDZBQOSA-N 337.427 3.529 0 50 EHAA O[C@H](c1cccs1)C1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 67560545 AXQLHADFIWSYQR-SFHVURJKSA-N 343.452 3.677 0 50 EHAA CC(C)=CC(=O)NC[C@@H]1CCCN(Cc2cccc3cccnc23)C1 71278804 PUADNQDAFCEPRI-KRWDZBQOSA-N 337.467 3.529 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c1 72432585 QQYFCQLDCXCLES-AMBYYYRHSA-N 327.468 3.508 0 50 EHAA CCCc1ccc2oc(C(=O)N(C)CCc3cn[nH]c3)c(C)c2c1 77488841 ZAANWJJEJMZULQ-UHFFFAOYSA-N 325.412 3.732 0 50 EHAA COc1cccc2c1OC[C@@H](Cc1cccc(NC(=O)C3CC3)c1)C2 95511357 OSNNHYFDZMXNCQ-HNNXBMFYSA-N 337.419 3.838 0 50 EHAA CC(C)Oc1ccccc1CCNC(=O)c1cccc(CN(C)C)c1 97088132 KAJDKXKNYQIRLN-UHFFFAOYSA-N 340.467 3.508 0 50 EHAA Cc1cc2nc(C(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)cc(C)n2n1 97759469 MHTHLZDATKJZMW-ZWKOTPCHSA-N 348.450 3.802 0 50 EHAA Cc1ccc(-c2nnco2)cc1NCc1cccc(-n2cccn2)c1 119855614 SEWDPBWKXRZPCQ-UHFFFAOYSA-N 331.379 3.843 0 50 EHAA Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1c[nH]c(=O)cc1C 150777446 JZTIFVPBHNSXKO-HNNXBMFYSA-N 339.439 3.623 0 50 EHAA O=C(Nc1ccc2ncsc2c1)N1CC[C@@H](CN2CCCCC2)C1 155665374 AMFYHKISKLVGPT-AWEZNQCLSA-N 344.484 3.636 0 50 EHAA Cc1cn(CC(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)c2ccccc12 170630966 AAGQWFPQNZPWNS-JXFKEZNVSA-N 342.483 3.907 0 50 EHAA Cc1ccsc1C(=O)Nc1ccccc1-c1nnnn1C(C)C 184553022 XNYMTDCODVBPFT-UHFFFAOYSA-N 327.413 3.543 0 50 EHAA O=C(Nc1ncn(C2CCCCC2)n1)N1CCC[C@@H]1c1ccco1 184633531 GZMOBNUARFFKPU-CQSZACIVSA-N 329.404 3.745 0 50 EHAA COCCO[C@@H]1CCN(C(=O)Nc2cc(Cl)c(C)cc2Cl)C1 186726544 CGMHGQGEYZKMLO-LLVKDONJSA-N 347.242 3.571 0 50 EHAA COc1cc(CN2CCC[C@]3(CCCO3)CC2)cc(Cl)c1OC 215416206 GCDXTPZESBGCPY-SFHVURJKSA-N 339.863 3.892 0 50 EHAA O=C(CCC(=O)N1CCCC[C@H]1c1ccccn1)c1ccc(F)cc1 215903819 MRDQKCVYOIYEQM-SFHVURJKSA-N 340.398 3.937 0 50 EHAA O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 252517674 OKCZWLZNRYDGCM-DJIMGWMZSA-N 341.382 3.644 0 50 EHAA O=C(CC[C@@H]1CCNC1)N1CCc2cc(-c3cccc(F)c3)ccc21 261891461 TYPJUFHXFIEXTM-OAHLLOKOSA-N 338.426 3.772 0 50 EHAA CNC[C@@H]1CCCN(C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)C1 269106708 KJDSTGGSFAHEPB-SSUFTNFISA-N 340.389 3.567 0 50 EHAA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccnc2cc(Cl)ccc12 284453716 BVSHYUONDMYZFZ-MNEFBYGVSA-N 346.858 3.645 0 50 EHAA CCc1noc(C)c1CNC(=O)Cc1csc(-c2ccccc2)n1 293844559 HOGXJNXDRUMBAF-UHFFFAOYSA-N 341.436 3.528 0 50 EHAA O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl)C1CC1 298116106 PMABBQHRTFTNCY-UHFFFAOYSA-N 330.819 3.673 0 50 EHAA CCc1nccn1CCCNC(=O)Nc1cccc2nc(C)ccc12 299762397 VUXURWDBFZSIPY-UHFFFAOYSA-N 337.427 3.514 0 50 EHAA c1csc(N2CCC(N=c3nc(C4CCCCC4)[nH]s3)CC2)n1 333886522 WAHGKQSJNMRZHT-UHFFFAOYSA-N 349.529 3.545 0 50 EHAA COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1ncnn1C(C)(C)C 338235129 OLJLDHHYKXKNPF-KRWDZBQOSA-N 328.460 3.551 0 50 EHAA C[C@H](NCc1cnc2[nH]ccnc1-2)c1ccc(Br)cc1F 356258711 LZCANORTAWDAJS-VIFPVBQESA-N 349.207 3.662 0 50 EHAA CC[C@@H](NC(=O)Cc1ccc([S@](C)=O)cc1)c1cccc(Cl)c1 390833900 OPUCTJDJPHMISP-HXOBKFHXSA-N 349.883 3.887 0 50 EHAA CC1(C)CN(C(=O)c2cc(-c3ccncc3)[nH]n2)C[C@@H]1c1ccccc1 426581347 VXISMZXCCPNSMI-QGZVFWFLSA-N 346.434 3.738 0 50 EHAA CC[C@H](CO)NC(=O)c1ccc(-c2ccc(C(=O)C(C)C)s2)cc1 426662432 ONNDTMSTFHHWIJ-OAHLLOKOSA-N 345.464 3.755 0 50 EHAA Cc1nc(-c2cccc(NC(=O)c3cccc4c3ccn4C)c2)n[nH]1 588847176 CTXQVSNAZJFIHW-UHFFFAOYSA-N 331.379 3.524 0 50 EHAA CC(C)Cc1nc(C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)cs1 669434277 CLTYSFWTLBJGDE-CYBMUJFWSA-N 344.436 3.560 0 50 EHAA CN(C)c1cccc(CCc2nc(C(C)(C)c3ccncc3)no2)c1 871856285 MJPSIJAANBNVKA-UHFFFAOYSA-N 336.439 3.642 0 50 EHAA Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cnn(C3CCC3)c2)o1 891770161 OCZSESANDMTMAD-IBGZPJMESA-N 349.438 3.599 0 50 EHAA C[C@H](NCc1ccc(OCC(=O)N2CCCC2)cc1)C1=CCCCC1 952988740 UJGXYDRHDJYKCG-KRWDZBQOSA-N 342.483 3.666 0 50 EHAA CC[C@H]1CCCCN1CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 1506420707 JRGSYASGGVOKGP-INIZCTEOSA-N 342.405 3.928 0 50 EHAA Cc1cn2c(-c3cc4c(s3)C3(CCNCC3)OCC4)cccc2n1 1857719256 HZKCIVTWTVYYTE-UHFFFAOYSA-N 339.464 3.523 0 50 EHAA CCCC[C@@H]1CN(Cc2ccc(OC)c(C(=O)O)c2)C[C@H](C(C)C)O1 1875250236 HUWZCEZZZHQWIS-VQIMIIECSA-N 349.471 3.809 0 50 EHAA Cc1cc(=N)[nH]c(SCc2nc(-c3ccccc3C)oc2C)n1 1875344741 LHWABAMVWOFXOV-UHFFFAOYSA-N 326.425 3.762 0 50 EHAA C=CC(=O)N(Cc1cc(F)cc(Cl)c1)[C@@H](C)C1CCOCC1 1875382641 KPQKEAYQKPMBTF-LBPRGKRZSA-N 325.811 3.809 0 50 EHAA CC(C)c1ccccc1Oc1ccc(C(=O)N(C)[C@@H](C)C(N)=O)cc1 2325792711 HFMCUEOEIJRFFO-AWEZNQCLSA-N 340.423 3.548 0 50 EHAA CC1(C)CC[C@@]2(CCN2C(=O)C2(C)CCN(CC(F)(F)F)CC2)C1 2325794782 RCCJHEHHDQTRKA-QGZVFWFLSA-N 346.437 3.832 0 50 EHAA Cc1cc(C(=O)NC[C@H](O)c2ccccc2C)c2c(c1)[C@H](C)CCN2 2325842040 NAGHIPUUQGADSX-BEFAXECRSA-N 338.451 3.686 0 50 EHAA CCCCc1nc(CN2CC3(COc4ccccc4C3)C2)c(Cl)[nH]1 2356148255 OATFRQSALPRNKW-UHFFFAOYSA-N 345.874 3.843 0 50 EHAA Nc1ccc2oc(-c3cccc(I)c3)nc2c1 125057 NXDIGEICTIBJTM-UHFFFAOYSA-N 336.132 3.682 0 50 EHAA COc1ccc(NC(=O)[C@H](CC(=O)O)Cc2ccc(Cl)cc2)cc1 249097 OKUYZTFCXVVBKQ-ZDUSSCGKSA-N 347.798 3.621 0 50 EHAA CO[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 610788 AUURCCLXZDDVML-CQSZACIVSA-N 338.176 3.914 0 50 EHAA O=C(CNC(=O)c1cccs1)OCc1ccc(Cl)cc1Cl 816292 QOHDXINCBJTFMQ-UHFFFAOYSA-N 344.219 3.528 0 50 EHAA CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 2735054 NCLWIIMTAPDZEN-LJQANCHMSA-N 340.442 3.696 0 50 EHAA O=C(COc1ccc(Cl)cc1)NCCOc1ccc(Cl)cc1 2862526 HHKBWWJIQUEPRF-UHFFFAOYSA-N 340.206 3.567 0 50 EHAA Cc1cccc(C(=O)N2N=C3CCCCC[C@H]3[C@@]2(O)C(F)(F)F)c1 4524740 MXYFQCPBKRXFOP-CZUORRHYSA-N 340.345 3.638 0 50 EHAA Cc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1C 4672784 TXFRTRPMHPWIJI-UHFFFAOYSA-N 342.508 3.877 0 50 EHAA Cc1nc(C)c(-c2nc([C@@]3(c4ccc(F)cc4)CCOC3)no2)s1 19743806 WDUXBRPCCKAATK-KRWDZBQOSA-N 345.399 3.655 0 50 EHAA C[C@@H](NC(=O)Nc1nnc(CCc2ccccc2)s1)c1ccco1 23580619 ANNSWENTHVOMML-GFCCVEGCSA-N 342.424 3.799 0 50 EHAA CCCC(=O)Nc1ccc(NC(=O)c2cc(C(C)C)n[nH]2)cc1OC 55226906 MTUMECUWPZXJEF-UHFFFAOYSA-N 344.415 3.533 0 50 EHAA CCCN(Cc1ccc(OC)c(C(=O)O)c1)Cc1ccccc1OC 55413627 RWJWUSSTJJKUAH-UHFFFAOYSA-N 343.423 3.814 0 50 EHAA CCN(CC)C(=O)c1cc(-c2cncnc2)nc2c(C)c(C)ccc12 63870708 QRXDEOXNMNXILA-UHFFFAOYSA-N 334.423 3.791 0 50 EHAA O=C(O)[C@@]1(CCCc2ccccc2)CCCN(c2nccs2)C1 71614712 MCFKMCQWXWWXIK-SFHVURJKSA-N 330.453 3.837 0 50 EHAA CC(C)N1CCC[C@H](Cn2ccnc2-c2ccc(-n3ccnc3)cc2)C1 71761541 IWCXJCPERKYZGY-SFHVURJKSA-N 349.482 3.856 0 50 EHAA O=C(Nc1ccc(F)cc1F)N1CCCC[C@H]1CCn1ccnc1 72155942 VHTFOFWELWIGDV-AWEZNQCLSA-N 334.370 3.638 0 50 EHAA Cc1noc(C)c1C(=O)N(C)Cc1csc(-c2cccs2)n1 72423832 JFHUOXMLWICWNR-UHFFFAOYSA-N 333.438 3.749 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3nccs3)[nH]n2)s1 91504048 GOFKVKCCTFQJJQ-ZDUSSCGKSA-N 344.465 3.880 0 50 EHAA O=C1CCC(c2ccccc2)(c2ccccc2)CN1C[C@H]1CCOC1 91997116 SZNWNTYKVKLSFB-GOSISDBHSA-N 335.447 3.632 0 50 EHAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc[nH]2)c1C 92027966 SEDLKXCHFDRYSV-MRXNPFEDSA-N 334.423 3.625 0 50 EHAA Cc1ccnc(-c2ccc(NCC(=O)NC3CCC(C)CC3)cc2)n1 115528811 SBPJJBQZGNTSBN-UHFFFAOYSA-N 338.455 3.559 0 50 EHAA Cc1cc(C)c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(C)c1 121739647 JUASZGFOCCPNBE-UHFFFAOYSA-N 341.436 3.598 0 50 EHAA CCN1CCN(c2cccc(N[C@@H](C)Cc3ccsc3)c2)CC1 170608683 JXKHXDHWPNQXKV-INIZCTEOSA-N 329.513 3.933 0 50 EHAA CCCCn1cc(C(=O)N2C[C@@H](C)Oc3cc(C)ccc32)c(C)n1 186024665 ONAWFLLORYRDEU-CQSZACIVSA-N 327.428 3.728 0 50 EHAA O=C(NC1CCN(c2ccc(F)cc2)CC1)c1cccc2cnccc12 223335047 KMXOBURIVFTYHK-UHFFFAOYSA-N 349.409 3.773 0 50 EHAA C[C@@H]1CC[C@@H](NCC2(c3ccc(Cl)cc3)CC2)[C@H](n2cncn2)C1 225407776 KPOIHDIQELUXBK-ZTFGCOKTSA-N 344.890 3.983 0 50 EHAA C[C@@H]1CCCCN1C1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C1 244788073 QIUUCSPEYMCHNK-OAHLLOKOSA-N 344.890 3.584 0 50 EHAA CCCOc1ccc(CNC(=O)C[C@@H](O)c2ccccc2)c(C)c1 252478371 AKLBDSQKCZJABQ-LJQANCHMSA-N 327.424 3.524 0 50 EHAA Cc1csc(C2(NC(=O)Nc3cnn(CC(C)C)c3)CCCC2)n1 266363834 HOZWFLLVDISZAE-UHFFFAOYSA-N 347.488 3.895 0 50 EHAA Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1c(C)n[nH]c1C 286189149 XLJMJIVNVDTORV-UHFFFAOYSA-N 340.471 3.819 0 50 EHAA COc1ccc(NC(=O)c2ccc([C@H]3C[C@@H]3C)o2)cc1OCC(=N)O 328586606 KGYLHRHILVYXFP-JQWIXIFHSA-N 344.367 3.578 0 50 EHAA CCN(CC(C)(C)C)C(=O)c1cccc(-c2ccccc2C(N)=O)c1 426496869 JLFTVAYWIIKBSP-UHFFFAOYSA-N 338.451 3.961 0 50 EHAA FC(F)(F)c1ccc2c(N3CCC(n4cncn4)CC3)nccc2c1 450289999 CMROHQPDIIDBST-UHFFFAOYSA-N 347.344 3.687 0 50 EHAA CCOCc1nc(C)c(C(=O)N2CC(CC)(c3ccccc3)C2)s1 458222561 WMGAFDAEXZEWFR-UHFFFAOYSA-N 344.480 3.792 0 50 EHAA O=C(NCc1cccc(CO)c1)N(Cc1ccsc1)C1CCCC1 534632890 BPFPGXGAIHQPOI-UHFFFAOYSA-N 344.480 3.895 0 50 EHAA Cc1ccc2nc([C@H](NC(=O)c3ccn(C(C)C)n3)C(C)C)[nH]c2c1 670458028 WAIREGGOGVCSJR-QGZVFWFLSA-N 339.443 3.776 0 50 EHAA C[C@@H]1C[C@H](C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)CCC1=O 677887401 BRDVRVDENYYTTO-CHWSQXEVSA-N 348.406 3.569 0 50 EHAA O=C(NC[C@@H]1CCC2(CCCC2)O1)c1c[nH]cc1Cc1ccccc1 824382498 ACAJZIRGFQKYAX-SFHVURJKSA-N 338.451 3.827 0 50 EHAA Cc1c(NC(=O)N[C@@H](c2ccccn2)C2CC2)cnn1-c1ccccc1 930471759 FTZNPMQMLUINIQ-LJQANCHMSA-N 347.422 3.849 0 50 EHAA CC1(C)Cc2cccc(NC(=O)N3CCC(O)(C4CCC4)CC3)c2O1 931059865 SZFXTUYFZAXVLU-UHFFFAOYSA-N 344.455 3.559 0 50 EHAA CCc1nc(C(C)C)ccc1CN1CCC[C@H](Cc2nc(C)no2)C1 933570509 QDZCDEVITZWCCW-MRXNPFEDSA-N 342.487 3.914 0 50 EHAA COc1ccc(Oc2ccc(NC(=O)[C@@]3(C)CC(C)=NO3)cc2)cc1 952873376 VWIJMCAAFFFGHA-LJQANCHMSA-N 340.379 3.981 0 50 EHAA COCC1(C(=O)N=S(=O)(c2ccccc2)c2ccccc2)CC1 1462891947 YSBJIRAMSKZAKH-UHFFFAOYSA-N 329.421 3.526 0 50 EHAA CO[C@@H]1CCC[C@]12CCCN(Cc1noc(-c3ccc(C)cc3)n1)C2 1704298432 JQFAEMPRCPYIHM-YLJYHZDGSA-N 341.455 3.826 0 50 EHAA Cn1cc(Br)c(C(=O)Nc2cc(Cl)ccc2Cl)n1 133332 HMLQWIXVCCYXMB-UHFFFAOYSA-N 349.015 3.742 0 50 EHAA C[C@@H]1CCc2c(sc3ncn(Cc4ccc(F)cc4)c(=O)c23)C1 144642 TUUTVCPTEHSSBF-LLVKDONJSA-N 328.412 3.770 0 50 EHAA COc1ccccc1C[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1=O 277692 YALDLHHGMLLPMK-CQSZACIVSA-N 343.810 3.779 0 50 EHAA O=C(NCCc1ccccc1)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl 2887828 LOYUFJCQRNVACI-JKSUJKDBSA-N 334.246 3.933 0 50 EHAA CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 5867400 ROCGPAVHAXEFPA-UHFFFAOYSA-N 347.436 3.753 0 50 EHAA CCn1c([C@@H](NC(=O)c2ccccc2Cl)C(C)C)n[nH]c1=S 5909241 GADVTWITFXBYBS-LBPRGKRZSA-N 338.864 3.741 0 50 EHAA CC(=O)Nc1cc(NC(=O)c2ccccc2Br)ccc1C 10774336 ARGGENOMAQLGRD-UHFFFAOYSA-N 347.212 3.968 0 50 EHAA Cc1cccnc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1ccccc1)O2 11971031 PIQIJLIOWOSMLO-IBGZPJMESA-N 344.414 3.791 0 50 EHAA CCOc1ccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 12138486 JTYSTZPZPGXWID-UHFFFAOYSA-N 340.423 3.866 0 50 EHAA CC(C)(C)OC(=O)N1CCNc2ccc(Br)cc2C1 12648516 XTVVPYZXTUZWFG-UHFFFAOYSA-N 327.222 3.612 0 50 EHAA CC(=O)N[C@H]1C[C@@H](CCn2nc(C)cc2C)O[C@@H](C2CCCCC2)C1 65385253 RQIQXENVUPPRMT-XUVXKRRUSA-N 347.503 3.523 0 50 EHAA CN(Cc1nc2ccc(F)cc2[nH]1)Cc1cccn1-c1nccs1 67790466 QVAMUUFHOJSXSE-UHFFFAOYSA-N 341.415 3.581 0 50 EHAA CCC1=NO[C@H](CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)C1 67935300 VMLNXBKFHAGWSF-ZDUSSCGKSA-N 347.365 3.533 0 50 EHAA CCOc1ncccc1CNc1cc(-c2ccccc2)nc2ccnn12 72164523 FKLIURJXBZAYJM-UHFFFAOYSA-N 345.406 3.802 0 50 EHAA COc1ccc(CN(C)Cc2cccc(-n3cccn3)c2)c(OC)c1 72431836 NMTCYIRXNOHHOK-UHFFFAOYSA-N 337.423 3.522 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N3CC(Oc4ccccc4)C3)c2c1 77470046 UFENZVVILXCGNI-UHFFFAOYSA-N 332.403 3.755 0 50 EHAA Cc1ccccc1[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]c2=O)C1 77517863 IIHHISHOIAUGHT-KRWDZBQOSA-N 346.430 3.856 0 50 EHAA CCCOC[C@H]1CCN(C(=O)c2[nH]c3c(C)ccc(C)c3c2C)C1 91604549 WWNUBYCTARAOMX-INIZCTEOSA-N 328.456 3.982 0 50 EHAA COC[C@@H](C)C1CCN(Cc2cc(O)c3cc(F)ccc3n2)CC1 91645490 YFECFYIBVXTAQJ-CYBMUJFWSA-N 332.419 3.574 0 50 EHAA O=C(c1ccc2nccn2c1)N1CCCC[C@@H]1CCc1ccc(O)cc1 91873093 GQRNBQRRBMSJPB-GOSISDBHSA-N 349.434 3.667 0 50 EHAA O=C(CN1C2=NCCCN2c2ccccc21)c1ccc(Cl)cc1 100459546 KZOOGBRSMZZIEM-UHFFFAOYSA-N 325.799 3.609 0 50 EHAA O=C(c1ccncc1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 163640727 YTIJCVJCHVTQAK-UHFFFAOYSA-N 329.403 3.948 0 50 EHAA O=C(C1CCC(n2cccc2)CC1)N1CCC(NC2CCCC2)CC1 169990897 JXSAIVIUKDGKLT-UHFFFAOYSA-N 343.515 3.743 0 50 EHAA C[C@@]12CC3CC(C(=O)Nc4nc(CC(=O)O)cs4)(C1)C[C@](C)(C3)C2 170025695 MQRQGOMSYJEUQI-YVBDQSFBSA-N 348.468 3.705 0 50 EHAA Cc1nn(C)c(C)c1C[C@@H](C)c1nc(-c2ccc(F)c(F)c2)no1 174829170 FPNSIFFISNUUCO-SECBINFHSA-N 332.354 3.711 0 50 EHAA CCOc1ccc(CNC(=O)c2cccnc2C(F)(F)F)cc1F 188377780 ZFRSUSFZQAYIJX-UHFFFAOYSA-N 342.292 3.568 0 50 EHAA Cc1ccc(C)c(SCc2noc([C@H]3CC(=O)N(C(C)C)C3)n2)c1 225588694 SYMJMPNJTFBBRS-AWEZNQCLSA-N 345.468 3.703 0 50 EHAA CCCCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1C 230512226 YZDDNZUPOGIGNV-UHFFFAOYSA-N 344.436 3.761 0 50 EHAA O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1C[C@@H]2CCC[C@H](C1)C2=O 247709616 IFIUWVMLMVJCGA-AEBFUODCSA-N 331.378 3.619 0 50 EHAA C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 252679980 UJOWPJBNOMZPGT-LMMKCTJWSA-N 326.484 3.582 0 50 EHAA COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@H]2C)CC1 253425414 CWZZITFVBWTYJS-OWYHZJEWSA-N 343.467 3.679 0 50 EHAA C[C@H](NC(=O)CC(C)(C)c1ccccc1)c1nncn1C1CCCC1 299775377 DXVTZEQFVIQJAC-HNNXBMFYSA-N 340.471 3.938 0 50 EHAA Cc1cccc(C)c1NC(=O)N1CCC(Oc2ccncc2)CC1 299801515 YZCPYWJPAAYNGY-UHFFFAOYSA-N 325.412 3.774 0 50 EHAA C[C@H](Nc1nc(-c2cccnc2)nc2ccccc12)C1CCOCC1 301669113 NMRVWJKLPQOKPF-AWEZNQCLSA-N 334.423 3.919 0 50 EHAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2cc3ccccc3o2)cn1 328650236 VKSARVHEZCROGI-APWZRJJASA-N 338.411 3.599 0 50 EHAA CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2cnn([C@H]3CCCNC3)c2)CC1 333283539 MXBQFZYGHRDCTB-SQNIBIBYSA-N 346.519 3.532 0 50 EHAA Cc1cc(O)ncc1C(=O)N1CCC[C@H](c2ccc(F)cc2)CC1 378495264 YCNKTBDPUGKNIR-AWEZNQCLSA-N 328.387 3.645 0 50 EHAA CC1(C)[C@@H](c2ccccc2)CCN1C(=O)Cc1c[nH]c2ncccc12 421723881 XYHWWOAUURBRPT-GOSISDBHSA-N 333.435 3.900 0 50 EHAA CN(Cc1cc(-c2ccccc2)no1)C(=O)C1Cc2ccccc2C1 426606816 WUGRKDDJOPPDEA-UHFFFAOYSA-N 332.403 3.715 0 50 EHAA Cc1cccc(C2(C(=O)NC[C@H]3CCC[C@@H](CO)C3)CCCC2)c1 492556198 FJOFTMZXNLTEIY-ZWKOTPCHSA-N 329.484 3.722 0 50 EHAA Cc1nc(C)c(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)o1 584898741 QHRKAIJYCREPNX-SFHVURJKSA-N 341.455 3.639 0 50 EHAA Cc1cc(CC(=O)NCC[C@@H](c2ccc(F)cc2)c2ccco2)on1 670455278 AQADULLCDGFUSX-KRWDZBQOSA-N 342.370 3.596 0 50 EHAA CCc1nc2c(C(=O)N3C[C@@H]4CC[C@H]3c3ccccc34)ccnc2[nH]1 829509963 YCWJYFIHVIUSIV-LRDDRELGSA-N 332.407 3.595 0 50 EHAA CC[C@@H](SC)c1nc(-c2ccc(N3CCCOC3=O)cc2)no1 864096802 IKPYELIRFVLPRD-CYBMUJFWSA-N 333.413 3.897 0 50 EHAA C[C@H](NCc1c(Br)c2ccccc2n1C)c1cnn(C)c1 873060179 DJYWBHUWPOPTRY-NSHDSACASA-N 347.260 3.525 0 50 EHAA CC(C)(C)n1ncc2c(O)nc(NCc3cscc3Cl)nc21 884599014 QGFOCKNGNXOQLF-UHFFFAOYSA-N 337.836 3.614 0 50 EHAA CC(C)Oc1ccc(C(=O)N2C[C@@H](C)Oc3cc(F)c(F)cc32)nc1 906233032 PXFVJPPUNKCHPQ-LLVKDONJSA-N 348.349 3.575 0 50 EHAA CCc1nnc([C@H]2CCCN(Cc3cccc4cccnc34)[C@H]2C)o1 952852515 DGYUKICXROGHLP-YOEHRIQHSA-N 336.439 3.948 0 50 EHAA CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)Cc1ccc(CO)cc1 1506400143 ATVYPOFXZBEDCU-QFIPXVFZSA-N 337.463 3.548 0 50 EHAA O=C(C1CCC1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704297765 WIAFXCBEHHNATJ-QFIPXVFZSA-N 347.462 3.750 0 50 EHAA c1nnc(CNC2(c3noc(C4CCCC4)n3)CCCCCC2)s1 1875271341 PAZCGYUQNUJPDS-UHFFFAOYSA-N 347.488 3.918 0 50 EHAA COc1ncc(NCc2ccc3cc[nH]c3c2)cc1Br 1875309348 JYGQJTHKDDTEGL-UHFFFAOYSA-N 332.201 3.946 0 50 EHAA C[C@H](NC(=O)c1ccc2ocnc2c1)c1cccc(OC(F)F)c1 1875324594 FCMFCNQBVFXEBE-JTQLQIEISA-N 332.306 3.920 0 50 EHAA O=C1CSc2cc(C(=O)O[C@H]3c4ccccc4C[C@H]3F)ccc2N1 1875341345 PRJABYYFTOPWKC-DYVFJYSZSA-N 343.379 3.523 0 50 EHAA CC1(C)CN(C(=O)Nc2cncc3c2CCC3)Cc2ccccc2O1 2325841353 QCQYDMBFGHYYDQ-UHFFFAOYSA-N 337.423 3.775 0 50 EHAA CC(C)=CC(=O)O[C@@H](Cn1ccnc1)c1cccc(Br)c1 2325879899 LQGCQHHBDCGKKA-HNNXBMFYSA-N 349.228 3.896 0 50 EHAA COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCC2 38694 SAWCLBFLHPGRFV-UHFFFAOYSA-N 329.421 3.974 0 50 EHAA COc1cccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 273899 IPUHOXGGOOAEJA-UHFFFAOYSA-N 329.739 3.707 0 50 EHAA Cc1ccc(F)c(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c1 371645 FUFDHAZCIJSTOX-UHFFFAOYSA-N 327.359 3.841 0 50 EHAA O=C(c1ccc(Cl)cc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 436029 QISJWZAKSAAHGR-FZMZJTMJSA-N 346.736 3.593 0 50 EHAA CCOc1cc(C(=S)N2CCCCC2)cc(Br)c1O 449083 PWCAJUKPNFELEU-UHFFFAOYSA-N 344.274 3.715 0 50 EHAA CN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 2404976 ASNIYECLRMBFOP-HNNXBMFYSA-N 325.751 3.621 0 50 EHAA Cc1cc(F)ccc1NC(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C 2795667 NEUFNTLMEAGHRE-JTQLQIEISA-N 343.324 3.933 0 50 EHAA O=C1c2ccccc2C(=O)N1CCCCOc1ccc(Cl)cc1 3000699 FUBXGSCBEPCTQO-UHFFFAOYSA-N 329.783 3.795 0 50 EHAA CC1(C)CC(=O)C2=C(C1)O[C@H](c1ccc(Cl)cc1)C(C#N)=C2N 4754454 KKQRXTMGWGCODI-QGZVFWFLSA-N 328.799 3.791 0 50 EHAA COc1ccc(C2(C(=O)Nc3ncccc3C)CCCC2)cc1OC 6660276 IZSAEBXUQTZVCE-UHFFFAOYSA-N 340.423 3.858 0 50 EHAA Cc1cc(C)c(C(=O)N2CCC[C@H](Nc3ccc(F)c(F)c3)C2)o1 11761191 GRNYIUIESIDUEE-AWEZNQCLSA-N 334.366 3.891 0 50 EHAA CCCCc1nc2cc(C(=O)NC[C@H]3CCN(C(C)C)C3)ccc2o1 12303493 ICWOIDFMYKHXSF-OAHLLOKOSA-N 343.471 3.631 0 50 EHAA CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)C(=O)C1CCCC1 12442256 BAQYAAAEGCEWFX-GOSISDBHSA-N 346.490 3.729 0 50 EHAA c1ccc(-n2cc(CN3CCCC3)c(-c3ccc4c(c3)OCO4)n2)cc1 12582300 DILXXPPGOXTRJK-UHFFFAOYSA-N 347.418 3.864 0 50 EHAA CC(C)[C@@H](O)c1ccc2c(c1)CN(CCc1ccccc1)CCO2 14883972 NMXDXYWKCLSGPO-OAQYLSRUSA-N 325.452 3.813 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCOCC2)cc1 19800469 XOSBSLIZTSRFJU-UHFFFAOYSA-N 344.842 3.733 0 50 EHAA Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCOCC2)cc1 19831944 APOSBWHHEBSCTD-UHFFFAOYSA-N 344.842 3.733 0 50 EHAA COc1cccc2ccn(CCC(=O)N3CCc4ccccc4C3)c12 49543158 YAQCDVSLSRENDL-UHFFFAOYSA-N 334.419 3.625 0 50 EHAA biogenic O=C(O)c1ccccc1CN(Cc1ccsc1)C[C@@H]1CCCO1 55269608 RFCBGJOXPXCCDA-INIZCTEOSA-N 331.437 3.628 0 50 EHAA CC(C)=CC(=O)NC[C@@H]1CCCN(Cc2ccc(C)c(F)c2C)C1 71315706 LNIFZOVNFQNCNZ-KRWDZBQOSA-N 332.463 3.737 0 50 EHAA O=C(Nc1ccc(F)cc1F)N1CCCC[C@@H]1CCn1ccnc1 72155939 VHTFOFWELWIGDV-CQSZACIVSA-N 334.370 3.638 0 50 EHAA CCc1nc(N[C@H](c2ccccc2)c2ccco2)c2cnn(C)c2n1 72166028 VYHCTAZVGCFORX-QGZVFWFLSA-N 333.395 3.720 0 50 EHAA CC(=O)NCC[C@H]1CCCCN1Cc1cc(C(F)(F)F)ccc1F 72169889 PCPYMIHPQZLKSH-OAHLLOKOSA-N 346.368 3.725 0 50 EHAA CSCc1ccc(C(=O)N[C@H]2CC[C@H]2NC2CCCCCC2)o1 72431880 UENKINXAZXZEEU-CVEARBPZSA-N 336.501 3.716 0 50 EHAA Cc1nn2c(N[C@H](C)c3cnn(C)c3)cc(-c3ccccc3)nc2c1C 72463255 MAXICLMWYDXBIO-OAHLLOKOSA-N 346.438 3.920 0 50 EHAA CCc1noc(CNc2cc(-c3ccccc3)nc3c(C)c(C)nn23)n1 72474227 WJUQDUUETMCRLI-UHFFFAOYSA-N 348.410 3.571 0 50 EHAA CNc1nc(C)c(C(=O)N2CCC[C@](C)(c3ccccc3)C2)s1 91974358 KEOCOKUXBURWCF-SFHVURJKSA-N 329.469 3.687 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 91997951 CPPWSSKSLIDNNC-ZDUSSCGKSA-N 347.846 3.585 0 50 EHAA O=C(c1ccc(C[C@@H]2COc3ccccc3C2)nc1)N1CCCCC1 92020710 AGNOQRAHEUXWQM-MRXNPFEDSA-N 336.435 3.502 0 50 EHAA O=C(CC1=CSC2=NCCCN12)N1CCCCC[C@H]1c1ccco1 102222419 DFFHMWROTQJEDA-HNNXBMFYSA-N 345.468 3.763 0 50 EHAA Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(Cl)n1 120328979 NIKPMKCFKDDXGA-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA CC(C)(C(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1Cl 131181441 BLLOCGXQKRAQDK-HNNXBMFYSA-N 344.842 3.693 0 50 EHAA CC1=C(C(=O)N2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)CCCO1 131206485 CRBMQPASTHCOJP-HNNXBMFYSA-N 339.439 3.662 0 50 EHAA CCc1[nH]nc(NC(=O)c2cc(C)c(Br)cc2C)c1C 156405426 JTAQAJNPPNHGOB-UHFFFAOYSA-N 336.233 3.912 0 50 EHAA CCc1noc(C)c1NC(=O)Nc1nnc(-c2ccsc2)s1 157898085 DIAXRHKNVOIKNQ-UHFFFAOYSA-N 335.414 3.769 0 50 EHAA CN(C(=O)c1ccc(CN)nc1C1CC1)c1ccc2ccccc2c1 170592817 SCHUILXQGMQEDH-UHFFFAOYSA-N 331.419 3.848 0 50 EHAA C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCC1=O 170601719 GWPLDLZVBZFSJB-OWYVNGRQSA-N 326.223 3.534 0 50 EHAA CCC(CC)n1nc(C(=O)N[C@H]2CCOc3ccccc32)cc1C 182938034 GDMLYNMXVHEGNT-INIZCTEOSA-N 327.428 3.806 0 50 EHAA O=C(NCc1ccc(F)cc1C(F)(F)F)NC1CCSCC1 195474452 XHZFNADNUGHGFJ-UHFFFAOYSA-N 336.354 3.539 0 50 EHAA Cc1cc(CNC(=O)c2ccc(CSc3ccccn3)cc2)on1 221279048 UNOHAELMSJFBKX-UHFFFAOYSA-N 339.420 3.600 0 50 EHAA CCN1CCN(c2cc(Br)cc(C(F)(F)F)c2)CC1 230538167 IYJJAFBOOSDLCF-UHFFFAOYSA-N 337.183 3.610 0 50 EHAA CC(=O)OC1CCN(c2ccc(C(F)F)cc2Br)CC1 230554825 LBVCIHOKEFSRIP-UHFFFAOYSA-N 348.187 3.919 0 50 EHAA O=C1[C@@H]2[C@@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1ccccc1F 245232675 ZYCOBXYJSKNSNP-DTTOXWODSA-N 325.383 3.842 0 50 EHAA CCOc1ccccc1NC(=O)CCN1CCC[C@H]1c1ccccn1 252478139 AEEAPZCDGIIUNV-SFHVURJKSA-N 339.439 3.646 0 50 EHAA C[C@H](N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1nnc2ccccn12 252486355 JFNXDOGXBHOGOL-JZXOWHBKSA-N 336.439 3.548 0 50 EHAA CC(C)c1csc([C@H]2CCCN(Cc3ncnn3C(C)(C)C)C2)n1 253392581 RCYGMQSITFGWQL-AWEZNQCLSA-N 347.532 3.993 0 50 EHAA COc1cc(NC(=O)C(C)(C)COCc2ccccc2)ccc1O 253629996 OKXXPQABBBWOMM-UHFFFAOYSA-N 329.396 3.582 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 269239525 CGOFZMUMEOHHOW-TZCMFKBTSA-N 341.282 3.683 0 50 EHAA Cc1cccc(C)c1NC(=O)c1c(O)c2cccc3c2n(c1=O)[C@H](C)C3 299738214 KBTMJHKAXHWMEZ-CYBMUJFWSA-N 348.402 3.693 0 50 EHAA COc1ccc2ccc(C(=O)N3CCC(c4cnn(C)c4)CC3)cc2c1 340567958 WCAILYMYQORTRP-UHFFFAOYSA-N 349.434 3.602 0 50 EHAA Cc1nc(-c2ccccc2NCC(=O)N2CCC(C)CC2)cs1 359618424 KSWNXJCOTPBJAV-UHFFFAOYSA-N 329.469 3.789 0 50 EHAA C[C@@H]1CCN(C(=O)Nc2cccc(OCC(F)F)n2)CC12CCC2 361066352 NVOWDDMLUHWDTL-GFCCVEGCSA-N 339.386 3.770 0 50 EHAA O=C(NCCC1=CCCCC1)N(Cc1ccccn1)C[C@@H]1CCCO1 426370253 DFNRYELLGJGYRO-IBGZPJMESA-N 343.471 3.663 0 50 EHAA Fc1ccc(CC2CCN(c3cc([C@H]4CCOC4)ncn3)CC2)cc1 426613664 RTDSTWLFABOPBV-KRWDZBQOSA-N 341.430 3.579 0 50 EHAA Cc1ccc(S(=O)(=O)[C@@H](C)c2nnc(-c3cccs3)o2)cc1C 492221951 CFDQRZBSOFHVAN-LBPRGKRZSA-N 348.449 3.950 0 50 EHAA COc1ccccc1-c1cc(CNC(=O)N2CCCCCCC2)on1 584891070 QUXIPHGVSSNQIH-UHFFFAOYSA-N 343.427 3.826 0 50 EHAA CC[C@@H](Cn1ccnc1)NC1CCN(c2ccccc2Cl)CC1 822619899 FRRPJRNQUZHKFC-HNNXBMFYSA-N 332.879 3.574 0 50 EHAA O=C(Nc1ccc(C(F)F)cc1)[C@@H]1OCCO[C@@H]1c1ccccc1 885584906 UFZQSRFKDRLPPW-HZPDHXFCSA-N 333.334 3.719 0 50 EHAA C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C[C@H]1CC(=O)O 910862687 HFFWJAMPSSDHSC-BPQTVZERSA-N 337.419 3.513 0 50 EHAA COc1cccc2ccc(CNCCCCN3CCCCCC3)nc12 952964770 NTIUBLPYPQRWAB-UHFFFAOYSA-N 341.499 3.989 0 50 EHAA Cc1nocc1NC(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21 1347824880 BRRVSECITWDISL-AWEZNQCLSA-N 325.290 3.509 0 50 EHAA CC(C)(C)c1coc([C@H]2CCCN2C(=O)CCc2cccc(O)c2)n1 1775994088 SLVBTRLPEBGRSW-MRXNPFEDSA-N 342.439 3.974 0 50 EHAA CCSCc1nnc2sc(/C=C/c3ccccc3OC)nn12 1776111098 ZETPGVBMFBLIMX-CMDGGOBGSA-N 332.454 3.618 0 50 EHAA O=C1C[C@@H](Cn2ccnc2-c2cccc(C(F)(F)F)c2)CN1C1CC1 1857679931 AWMZMVOIKDJUMK-LBPRGKRZSA-N 349.356 3.580 0 50 EHAA COc1ccc(-n2cc(CNc3cccc(-n4cccn4)c3)cn2)cc1 1875316776 GDLFLQWCKXSLSS-UHFFFAOYSA-N 345.406 3.679 0 50 EHAA O=C([C@@H]1CNCC12CCCC2)N1C[C@@H]2CCCC[C@@]21c1ccccc1 1875336038 QRICURPLLGWKBL-CNNODRBYSA-N 338.495 3.694 0 50 EHAA Cc1cc(C)c(NC(=O)[C@@]2(c3ccccc3)CC2(F)F)cc1CO 1875394959 CWFFENPRGOBQFV-SFHVURJKSA-N 331.362 3.711 0 50 EHAA COc1ccc(C2CC(OC(=O)/C=C/c3ccncc3)C2)cc1F 2325780024 BDOSSCWRFSMKPV-GORDUTHDSA-N 327.355 3.732 0 50 EHAA O=C(O)C1CC2(CCN(Cc3cccc(-c4ccccn4)c3)CC2)C1 2325787261 ODHDMSMTPZEJJA-UHFFFAOYSA-N 336.435 3.825 0 50 EHAA COC(=O)c1cc(CSc2n[nH]c(C(C)(C)C)n2)c(Cl)s1 2325863651 RAMLMDOGQGUHFH-UHFFFAOYSA-N 345.877 3.896 0 50 EHAA CN(C)Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cccs2)[nH]1 2325873708 QQPRXJTXRXNQSB-GOSISDBHSA-N 339.464 3.657 0 50 EHAA c1ccc(-c2ccccc2CN2CCc3nc(C4CC4)nn3CC2)cc1 2356165011 PAISCBPBJLZAST-UHFFFAOYSA-N 344.462 3.881 0 50 EHAA O=C1C[C@H](Cc2ccccc2)C(=O)N1c1cccc(C(F)(F)F)c1 94102 HFOJNUWORQXQMF-ZDUSSCGKSA-N 333.309 3.828 0 50 EHAA COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc2c1 466266 YVLCMWBAUGZPSL-UHFFFAOYSA-N 326.348 3.794 0 50 EHAA biogenic CCOc1ccccc1NC(=O)N[C@@H](C)c1cc(OC)ccc1OC 611525 ZKHWKCOYEZHIJY-ZDUSSCGKSA-N 344.411 3.985 0 50 EHAA O=C(Cc1cc2ccccc2oc1=O)c1ccc(Br)cc1 1078333 ADWYHIROZHRSPW-UHFFFAOYSA-N 343.176 3.981 0 50 EHAA COc1cc2c(cc1OC)[C@H](c1cc(Cl)ccc1OC)CC(=O)N2 2469552 AQHWDEXPKDBAJT-LLVKDONJSA-N 347.798 3.840 0 50 EHAA CCCCCn1c(N)c(C(=O)OCC)c2nc3ccccc3nc21 2479158 GYCUAEZMBFSYHH-UHFFFAOYSA-N 326.400 3.534 0 50 EHAA O=C(N1CCN(c2ccccc2F)CC1)C12CC3CC(CC(C3)C1)C2 3905908 YLDHXUJVRLNQAE-UHFFFAOYSA-N 342.458 3.691 0 50 EHAA COc1ccc(-c2nnc(SCc3cccc(F)c3)n2C)cc1 6078188 PYTKXAOJJBCAHE-UHFFFAOYSA-N 329.400 3.922 0 50 EHAA CCC(CC)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(F)cc1 6263738 JRDHLCVIYKHMLC-OAHLLOKOSA-N 349.431 3.864 0 50 EHAA COc1cccc(OCc2cc(C(=O)N(C)C3CCCCC3)no2)c1 11999302 NRNSBFKXMSIFFY-UHFFFAOYSA-N 344.411 3.667 0 50 EHAA CC(C)(C)c1ccc2nc(-c3ccc(S(C)(=O)=O)cc3)[nH]c2c1 55270894 ODETUQGAJIDUCD-UHFFFAOYSA-N 328.437 3.931 0 50 EHAA CCc1ccccc1OCCN(C)Cc1ccc(NC(C)=O)cc1 55402774 WYESEKMWIIIVTH-UHFFFAOYSA-N 326.440 3.718 0 50 EHAA CN1CCC(Oc2ccc(NC(=O)c3ccccc3F)cc2)CC1 65363653 OKKVHVQDABFXRI-UHFFFAOYSA-N 328.387 3.551 0 50 EHAA NC[C@@H]1Cc2c(F)ccc(-c3ccc(-c4nc5ccccc5[nH]4)o3)c2O1 67909825 VSMDQVCFULCORY-NSHDSACASA-N 349.365 3.891 0 50 EHAA CCc1ncc2c(n1)CN(C(=O)c1cccc3c4c([nH]c13)CCCC4)C2 67946243 GAACMAVKTRTUHV-UHFFFAOYSA-N 346.434 3.555 0 50 EHAA COc1ccccc1Oc1ccc(Cl)cc1NS(C)(=O)=O 71375853 MPEZDBXMYCBOQY-UHFFFAOYSA-N 327.789 3.512 0 50 EHAA CCn1cc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)c(C)n1 72164958 QRXVGFLBTOYPPT-UHFFFAOYSA-N 332.411 3.762 0 50 EHAA CCCc1oncc1C(=O)N1CCC[C@@H](Nc2ccc(C)c(C)c2)C1 72165295 XYJSTVQJLUUIRV-QGZVFWFLSA-N 341.455 3.961 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2)C1 91593195 QKLBNTAASZUVIH-CYBMUJFWSA-N 332.835 3.968 0 50 EHAA COc1cccc(-c2cccc(NC(=O)N(C)[C@H]3CCN(C)C3)c2)c1 95516509 SGIXMXHXJBMHPH-SFHVURJKSA-N 339.439 3.530 0 50 EHAA CCc1ccccc1OC1CN(C(=O)c2cccc(-c3cn[nH]c3)c2)C1 96166240 AARISUVQHOTZMG-UHFFFAOYSA-N 347.418 3.543 0 50 EHAA Cc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2O)cc1C 96511489 CZBNZGDBKDUQCC-UHFFFAOYSA-N 331.368 3.529 0 50 EHAA O=C([C@H]1CCOC1)N(CCc1c[nH]c2ccccc12)C1CCCCC1 97757895 AQTWTXJLWUZYBD-KRWDZBQOSA-N 340.467 3.908 0 50 EHAA CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3)cc1 132877175 CGBKONCQXZELDN-UHFFFAOYSA-N 331.437 3.815 0 50 EHAA Cc1nc(S)sc1CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 159977477 CUFZQEFZLKLQJI-LBPRGKRZSA-N 348.493 3.701 0 50 EHAA Cc1c(C(=O)NCc2nnc(C3CC3)o2)oc2ccc(Cl)cc12 170601799 WNCLXARNRLJOPS-UHFFFAOYSA-N 331.759 3.585 0 50 EHAA C[C@@H](C1CC1)N(C(=O)Nc1nc(-c2cccnc2)cs1)C1CC1 170705980 ZQDPWPYJXCHRDP-NSHDSACASA-N 328.441 4.000 0 50 EHAA Cc1cc(CC(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)no1 174799120 NQYBPSXSWIUARV-UHFFFAOYSA-N 347.484 3.686 0 50 EHAA O=C(NCc1cccnc1)Nc1cc(F)c(N2CCCCC2)c(F)c1 180978433 KNXQLZCJOZBUIX-UHFFFAOYSA-N 346.381 3.672 0 50 EHAA Cc1ccc(SC[C@H](C)NC(=O)N(C)Cc2cscn2)cc1 186064582 GAXKSUDZCUJTNF-ZDUSSCGKSA-N 335.498 3.774 0 50 EHAA O=S(=O)(Cc1ccn(-c2ccccc2F)n1)CC1CCCCC1 187831818 ZHXNBJKZLUICPW-UHFFFAOYSA-N 336.432 3.507 0 50 EHAA Cc1noc2ncnc(N3CCC[C@H](c4cc(F)ccc4F)C3)c12 192547889 DQVGRSMWVBQCDP-NSHDSACASA-N 330.338 3.588 0 50 EHAA CCCCN1C(=O)CC[C@@H]2CN(C(=O)c3ccccc3Cl)CC[C@@H]21 215048970 CPIQKCPXEGGMDC-PBHICJAKSA-N 348.874 3.593 0 50 EHAA COc1ccc(CN2CCC[C@H](OCc3ccccn3)C2)cc1Cl 215834456 JEOFQJIQXBGPAO-KRWDZBQOSA-N 346.858 3.925 0 50 EHAA CCn1nccc1C(=O)N(Cc1ccncc1)Cc1ccc(C)s1 216542330 JSRFEHQMQLWKSH-UHFFFAOYSA-N 340.452 3.511 0 50 EHAA CC[C@H]1CCCCN1CC(=O)N(C)Cc1[nH]c2ccccc2c1C 223599038 LBSVOEPERLNKJK-INIZCTEOSA-N 327.472 3.699 0 50 EHAA CC(C)n1ccc(CN2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)n1 239352119 ABCNLPOWSXEZBN-SZMVWBNQSA-N 347.503 3.939 0 50 EHAA CO[C@@]1(C)CCCN(C(=O)Nc2cc(F)ccc2OC(F)F)CC1 239352126 ABFQLCQAYVCIEH-INIZCTEOSA-N 346.349 3.850 0 50 EHAA O=C(Nc1ccccn1)N(Cc1ccccc1)CC1CCOCC1 241338628 MCOYPJDLCZDURV-UHFFFAOYSA-N 325.412 3.542 0 50 EHAA COc1ccccc1OC1CCN(Cc2cc(C3CC3)on2)CC1 244873115 WKJAAHPWOPFCIW-UHFFFAOYSA-N 328.412 3.604 0 50 EHAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)CC(C)(C)c1ccccc1)C2 248034924 YWASVWZJVJDPAJ-HKUYNNGSSA-N 328.500 3.687 0 50 EHAA CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@@H](N)C(C)(C)C2)cc1 261937862 WZNYFQZZIMAVKZ-GOSISDBHSA-N 346.515 3.585 0 50 EHAA C[C@@H](N)[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 269242544 CUEVRMZPALJCFS-DGCLKSJQSA-N 329.271 3.512 0 50 EHAA COc1ccsc1C(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273310103 OXAAVWFOYXGWDV-GOEBONIOSA-N 349.427 3.888 0 50 EHAA c1ccn2cc(CN3CCCC[C@H]3c3nnc(C4CCC4)o3)nc2c1 286263100 NGDLGFAWDKTVEU-INIZCTEOSA-N 337.427 3.712 0 50 EHAA O=C(c1c[nH]nc1C1CCCCC1)N1CC[C@H](Oc2ccccc2)C1 299786106 SUDFLXBAMFFEQW-KRWDZBQOSA-N 339.439 3.751 0 50 EHAA O=C(Nc1cccc2c1CCC2)N1CCC[C@H]1c1nc(C2CC2)no1 299792290 FGIIJAXZMZWLKG-INIZCTEOSA-N 338.411 3.805 0 50 EHAA Cc1cc(Cl)ccc1CN(Cc1cncnc1)[C@@H]1CCCNCC1 328649355 VAMLMQLUYLHDOV-LJQANCHMSA-N 344.890 3.583 0 50 EHAA Cc1ccccc1[C@@H]1CCN(C(=O)c2coc(C3CCOCC3)n2)C1 328778626 GIZMJVPLUZFNLT-MRXNPFEDSA-N 340.423 3.507 0 50 EHAA C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 332476984 LKUGZOFSLQDPBD-OKILXGFUSA-N 345.439 3.599 0 50 EHAA Cc1nc2ccc(NC(=O)N3[C@H](C)C[C@@H](c4ccccc4)[C@H]3C)cn2n1 333158520 GVEYNODYDXWSAX-HBUWYVDXSA-N 349.438 3.836 0 50 EHAA CC(C)c1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@]2(F)c2ccccc2)no1 412142783 BZGUSZQTMVSBTN-DOXZYTNZSA-N 343.402 3.741 0 50 EHAA COC[C@H](NCc1nn(C)c(C)c1Cl)c1ccc(Cl)cc1 421373624 CDDNBRVRASORRM-AWEZNQCLSA-N 328.243 3.513 0 50 EHAA CO[C@@H]1CCCN(C(=O)c2cccc(-c3sc(C)nc3C)c2)C1 426489709 VASYZKSCOJNRGU-MRXNPFEDSA-N 330.453 3.678 0 50 EHAA Cc1nc(C(C)C)oc1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 428232129 YMMJHZPQFLEPLV-KRWDZBQOSA-N 336.382 3.958 0 50 EHAA CCC(CC)c1cc(CNC(=O)N2CCC[C@H](COC)CC2)on1 458446216 COLWZZUTUHXCTC-AWEZNQCLSA-N 337.464 3.536 0 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3.809 0 50 EHAA O=C(O)c1ccc(N2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)nc1 67895090 FXNJGWGHXINWEE-INIZCTEOSA-N 348.406 3.554 0 50 EHAA O=c1[nH]c2cc3c(cc2cc1CN1CCC[C@@H]1c1ccccn1)CCC3 67909053 UDDBGQHMMPNLNB-OAQYLSRUSA-N 345.446 3.749 0 50 EHAA Cc1cc2nc(C(C)C)cc(N3CC(Oc4cccc(F)c4)C3)n2n1 72409475 NCAGBNSBGKBXNK-UHFFFAOYSA-N 340.402 3.568 0 50 EHAA Cc1ccc(O)c(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)c1 77438367 NTYQCQWWIOGJJG-INIZCTEOSA-N 349.390 3.728 0 50 EHAA Cc1ncc(C(=O)N2CCC[C@@H](C(=O)CCc3ccccc3)C2)s1 77471250 XKYMPUXOSLXJOB-MRXNPFEDSA-N 342.464 3.506 0 50 EHAA C[C@@H](C(=O)N(C)Cc1cccc2ncccc12)n1cnc2ccccc21 77523027 YTZGIISUSZWBOS-HNNXBMFYSA-N 344.418 3.804 0 50 EHAA Cc1cc(C(=O)N[C@@H](C)Cc2cncs2)c2cccc(C)c2n1 82086853 OUKSNQVKWZSMQQ-LBPRGKRZSA-N 325.437 3.669 0 50 EHAA COc1cccc([C@H]2CCN2C(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1 91504299 VGFRCQGPUXDOSI-QGZVFWFLSA-N 337.379 3.574 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 91679030 PVWQQHNWQYGWCR-GOSISDBHSA-N 348.450 3.714 0 50 EHAA Cc1cc2cc(C(=O)N(CCO)Cc3ccc(C)s3)ccc2o1 91966001 OSJCNAPKTSZNJZ-UHFFFAOYSA-N 329.421 3.746 0 50 EHAA FC(F)(F)c1ccnc(NCCc2nccc(-c3ccccc3)n2)n1 92080543 LXEZOKSUZDVZNZ-UHFFFAOYSA-N 345.328 3.607 0 50 EHAA Cc1ccccc1N1CCCN(C(=O)c2cccc3cnccc23)CC1 92107462 LAXGLPGAOJIIIN-UHFFFAOYSA-N 345.446 3.896 0 50 EHAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cnc(-c3cccnc3)nc2)C1 97784806 ZJYBGCVOEBYKBG-OXQOHEQNSA-N 336.439 3.579 0 50 EHAA CN(C)C(=O)c1cccc(-c2nc(Cc3ccc(Cl)cc3)no2)c1 109613675 HLGCCSARSAZCDQ-UHFFFAOYSA-N 341.798 3.683 0 50 EHAA COc1cccc(CN[C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 158649863 JJOFSLIMWPDPQC-ZDUSSCGKSA-N 340.402 3.574 0 50 EHAA COc1ccc(C)nc1NC(=O)c1cnc(-c2ccccc2F)s1 174788158 HIZRVYAYRUGJTI-UHFFFAOYSA-N 343.383 3.914 0 50 EHAA CN1C(=O)CC[C@H](C(=O)Nc2ccsc2Cl)[C@H]1c1ccccc1 186974500 SCWTZWXUYZRSFE-SWLSCSKDSA-N 348.855 3.950 0 50 EHAA CC[C@]1(CO)CCCN(C(=O)c2c(C)[nH]c3ccc(Cl)cc23)C1 187077829 CWENLNQMCKZMTC-SFHVURJKSA-N 334.847 3.754 0 50 EHAA Cc1ccc2c(CC(=O)Nc3cc(CCC(C)C)nn3C)c[nH]c2c1 252489901 KEQABVSGGHRBLI-UHFFFAOYSA-N 338.455 3.980 0 50 EHAA Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)c(C)o1 253419537 OQDFZIOPXADRHB-QGZVFWFLSA-N 343.814 3.803 0 50 EHAA Cc1c(C(=O)N2CCCC[C@H]2c2ccnn2C)oc2ccc(F)cc12 281305518 OWOFJMRVFCXNPH-INIZCTEOSA-N 341.386 3.981 0 50 EHAA O=C(NCCCc1ccco1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299793800 IDRCMSJOYCDRIE-ZCNNSNEGSA-N 338.451 3.554 0 50 EHAA CCc1noc(C)c1CN(Cc1ccsc1)[C@H]1CC12CCNCC2 328606756 SVFOWHCQPVSSSI-SFHVURJKSA-N 345.512 3.751 0 50 EHAA C[C@]1(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCCOC1 408095177 LXGSXXOAIDOWOQ-HNNXBMFYSA-N 327.211 3.774 0 50 EHAA Cc1ccccc1-c1cc(NCc2cccc(C)c2F)n(CCO)n1 449218148 FTWITCULUZMHRQ-UHFFFAOYSA-N 339.414 3.910 0 50 EHAA C[C@@H]1CN(CCOc2ccccc2C(F)(F)F)CCN(C2CC2)C1 451086976 WJUIMUHOQJFTFK-CQSZACIVSA-N 342.405 3.500 0 50 EHAA CC(C)(C)N1CC[C@H](NC(=O)NCc2cccc3ccsc23)C1 661350151 USAANRQVNHSNHN-HNNXBMFYSA-N 331.485 3.573 0 50 EHAA C[C@H](Nc1nccc(N2CCOCC2)n1)c1ccc2ccccc2c1 676303789 DEUFQMIWKCMSGD-HNNXBMFYSA-N 334.423 3.640 0 50 EHAA C[C@@H](Cc1ccc(F)cc1F)NC(=O)c1ccc(-c2cn[nH]c2)cc1 1875333516 ZKNBQCUXNKSEBO-LBPRGKRZSA-N 341.361 3.716 0 50 EHAA CC[C@@H](N=c1nc(C)nc2[nH][nH]cc1-2)C1CCC(C(F)(F)F)CC1 1875356493 MJYYBQKQRICQMK-GCZXYKMCSA-N 341.381 3.594 0 50 EHAA Cc1noc2nc(C(C)C)cc(C(=O)N[C@H]3C[C@H]4C[C@H]3CC4(F)F)c12 1875358055 HSZDRRQRWZATAR-WDMOLILDSA-N 349.381 3.818 0 50 EHAA C=CC(=O)N(Cc1cnn(C2CCC2)c1)[C@@H]1CCCc2occc21 1875382874 VDQSIVMNETUSHE-QGZVFWFLSA-N 325.412 3.793 0 50 EHAA Cc1c(Br)cccc1-c1nc(CCn2ccnc2C)no1 2325812814 JTHJJRHXQNZNGY-UHFFFAOYSA-N 347.216 3.555 0 50 EHAA Cc1cc(F)c2c(c1)N[C@@H](C(=O)N[C@H](C1CCCC1)C1CCC1)C2 2325863370 GVLAURUKGWQFBH-RTBURBONSA-N 330.447 3.946 0 50 EHAA COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1Br 54694 QQFJHXRLNLRJTA-LLVKDONJSA-N 334.213 3.949 0 50 EHAA O=C1C[C@@H](c2ccccc2)Sc2nc(-c3ccc(F)cc3)nn21 79112 UJOUUQLKOZSQTN-AWEZNQCLSA-N 325.368 3.962 0 50 EHAA Fc1ccc(-c2cc(C(F)(F)F)nc(NC[C@@H]3CCCO3)n2)cc1 213210 YPQBSWGZNYBRED-LBPRGKRZSA-N 341.308 3.892 0 50 EHAA CCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OC 445715 GRXOLPGJMYUFKI-GDNBJRDFSA-N 341.338 3.578 0 50 EHAA O=C1C[C@H](c2ccco2)Cc2c1cnn2-c1nc2ccccc2s1 2334500 LYPVRPORVCNRQW-LLVKDONJSA-N 335.388 3.988 0 50 EHAA O=C1CN(C(=O)CCSc2ccc(Cl)cc2)c2ccccc2N1 2624879 LIHJQBVIGQEVOF-UHFFFAOYSA-N 346.839 3.808 0 50 EHAA CCCOc1ccc(C(=O)NC(=S)Nc2cccc(C)c2)cc1 2991331 XMAKTMBNZKFLQF-UHFFFAOYSA-N 328.437 3.911 0 50 EHAA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nncs1 4750232 GCZSEMQVXQRYGS-LBPRGKRZSA-N 325.393 3.611 0 50 EHAA CCOc1ccc(OCCSc2nnnn2C2CCCCC2)cc1 6507148 LPUPVUOWWXPNAY-UHFFFAOYSA-N 348.472 3.748 0 50 EHAA C[C@@H](Cc1ccsc1)NC(=O)[C@H]1CC(CCc2ccccc2)=NO1 12190589 DFMFDPCPPAPAHR-KBXCAEBGSA-N 342.464 3.573 0 50 EHAA COc1ccccc1CN[C@H]1CCCc2nc(-c3cccnc3)ncc21 12575606 SOSRHNQUHDYSSX-SFHVURJKSA-N 346.434 3.714 0 50 EHAA Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1Cl 19812893 SKZFHZXKVMQAGR-UHFFFAOYSA-N 344.842 3.733 0 50 EHAA Cc1ncc2c(c1-c1noc(Cc3ccc(C(C)C)cc3)n1)CCNC2 19840273 OJFSCCKNXLBJAR-UHFFFAOYSA-N 348.450 3.800 0 50 EHAA CCC(C)(C)c1nnc(NC(=O)NCc2ccc(F)c(F)c2)s1 48112448 HFSMETUZQGHEMC-UHFFFAOYSA-N 340.399 3.826 0 50 EHAA CC(=O)NCC1=CCCN(C2c3ccccc3CCc3ccccc32)C1 65451291 LTGLWXOFZBMUGV-UHFFFAOYSA-N 346.474 3.643 0 50 EHAA Cc1ccc(NC(=O)CCNC2CCC3(CCNCC3)CC2)c(C)c1 67447261 OCEKXXZRDFILHX-UHFFFAOYSA-N 343.515 3.534 0 50 EHAA CCNc1ncc(C(=O)N2CCCC[C@H]2CCc2cccs2)cn1 77298977 SZKXNRUNWGFFQE-HNNXBMFYSA-N 344.484 3.597 0 50 EHAA CNc1nc(C)c(C(=O)N2CCCC[C@H]2c2cccc(F)c2)s1 77323607 VLZGQKUMGCESLE-AWEZNQCLSA-N 333.432 4.000 0 50 EHAA Cc1ccc(C)c(CC(=O)N2CCCC[C@@H]2CCn2ccnc2C)c1 82092622 CMRRYJHROBNKHQ-HXUWFJFHSA-N 339.483 3.822 0 50 EHAA COCc1cc(N[C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)ncn1 91860272 YNZNAMLNJXDGJB-QGZVFWFLSA-N 325.416 3.617 0 50 EHAA Cc1ccc2cccc(OCCNc3nccc(C(F)(F)F)n3)c2n1 95360099 NXWWWZJQJFGFRW-UHFFFAOYSA-N 348.328 3.843 0 50 EHAA CCCCn1ccnc1[C@@H]1CCCN(Cc2nc(C(C)C)no2)C1 95388684 PLALPZYRLCWTGM-OAHLLOKOSA-N 331.464 3.569 0 50 EHAA CCn1cnnc1-c1cccc(NC(=O)c2coc3ccccc23)c1 113025516 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341.411 3.655 0 50 EHAA Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)s1 96166394 LUYPUAWUVSGDSS-HZPDHXFCSA-N 330.453 3.628 0 50 EHAA Cc1oc2nc(CN[C@H]3CCC[C@H]3c3ccccc3)nc(N)c2c1C 133810991 XICBFCIABKVPGB-HOTGVXAUSA-N 336.439 3.848 0 50 EHAA CCOC(=O)/C=C/c1ccc(NC(=O)c2c(C)n[nH]c2C(C)C)cc1 136201496 XGJDVLKFNJZYHI-DHZHZOJOSA-N 341.411 3.670 0 50 EHAA O=C(Nc1ccnn1CC1CC1)c1ccc(Oc2ccccc2)nc1 160300230 LFCHSJXOZWTFEW-UHFFFAOYSA-N 334.379 3.733 0 50 EHAA Cc1ccsc1C(=O)Nc1cccc(-c2nnc3n2CCCC3)c1 169755469 MYUORTGATNSKFU-UHFFFAOYSA-N 338.436 3.904 0 50 EHAA CC(C)c1cc(C(=O)Nc2nnc(CC3CCCCC3)s2)nn1C 173385255 VMAQJFZRSKJLRO-UHFFFAOYSA-N 347.488 3.770 0 50 EHAA Cc1cccc(NC2CCN(C(=O)c3cc(F)c(O)c(F)c3)CC2)c1 180059891 HXHCWYLBGXZHIB-UHFFFAOYSA-N 346.377 3.696 0 50 EHAA O=C1NCCN1Cc1ccccc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 188326697 ZCMTYHGIBOKCFY-UONOGXRCSA-N 341.377 3.745 0 50 EHAA O=C(c1ccc(F)c(O)c1)N1CCCC[C@@H]1CCc1ccccn1 215514962 PZRJLEBFHBUVQI-MRXNPFEDSA-N 328.387 3.554 0 50 EHAA 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CC(C)c1ncc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1 71416181 KZKFUKWDEFKUPA-QGZVFWFLSA-N 331.847 3.827 0 50 EHAA Cc1cc(C)n(C[C@@H](C)n2ccnc2-c2ccc3nsnc3c2)n1 71524056 MAJNUGMRQUOKLH-CYBMUJFWSA-N 338.440 3.629 0 50 EHAA O=C1CCCN1CC[C@@H]1CCCCN1C(=O)Nc1cccc(Cl)c1 72171408 WGIJRZKEKVXGAV-INIZCTEOSA-N 349.862 3.739 0 50 EHAA c1ccc(-c2nc(CN[C@H]3CCOC4(CCOCC4)C3)cs2)cc1 77354938 KOPFDGUIYXPNNF-INIZCTEOSA-N 344.480 3.628 0 50 EHAA Cc1ccc2nc([C@@H]3CCCN3C(=O)CCc3cccnc3)[nH]c2c1 77538449 JCLPCFJSZFNPJQ-SFHVURJKSA-N 334.423 3.563 0 50 EHAA O=C(CCc1cccs1)N1CCC[C@H](c2nccn2CC2CC2)C1 82092256 MKFJWMQIOCGLAW-INIZCTEOSA-N 343.496 3.693 0 50 EHAA COc1ccc2c(c1)OC[C@@H](Cc1ccc(NC3CCCC3)nn1)C2 91643754 XHKMZMKGWKYERF-CQSZACIVSA-N 339.439 3.634 0 50 EHAA Cn1ccnc1-c1cn([C@@H](Cc2ccccc2)c2ccccc2)nn1 91655872 UEGLGAGOOIMCMG-IBGZPJMESA-N 329.407 3.511 0 50 EHAA CCCN1C[C@H]2CC[C@@H]1CN(Cc1nn(C)c3cccc(Cl)c13)C2 95356383 BGLHAGZBWSQSBL-LSDHHAIUSA-N 346.906 3.533 0 50 EHAA CN1CCCC[C@@H]1CCC(=O)NCc1ccc(Cl)cc1Cl 95361840 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326.440 3.845 0 50 EHAA O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(F)c2ccccc12 253429147 GPNIPPMDOANXIN-YJYMSZOUSA-N 345.439 3.763 0 50 EHAA COC1(CNC2CCC(C(=O)O)CC2)CCC(c2ccccc2)CC1 263394930 GFQRUAWAIODEIT-UHFFFAOYSA-N 345.483 3.962 0 50 EHAA CC(C)(C)n1ccc(NC(=O)c2sccc2Br)n1 264482333 VUBAKZFZTLNQPY-UHFFFAOYSA-N 328.235 3.714 0 50 EHAA Cc1oc(CN(C)C(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1C(=O)O 299753328 XVGNTKKUDHZOOB-GJZGRUSLSA-N 347.798 3.702 0 50 EHAA CN1CCCCC[C@@H]1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 299760423 JXRZENHODHHWMY-QGZVFWFLSA-N 330.403 3.576 0 50 EHAA COc1ccccc1CCc1nc2ccccc2n1C1CCNCC1 299777194 JWIAFRLRXOAILV-UHFFFAOYSA-N 335.451 3.755 0 50 EHAA CC(C)c1noc([C@@H](NC/C=C/c2ccco2)C2CCOCC2)n1 328622212 IGNJEGSOKTYAFE-WMHVBEDNSA-N 331.416 3.557 0 50 EHAA CCn1[nH]c(=NC(=O)N(CC2CCCCC2)C2CC2)cc1C1CC1 330263574 WSFZXALYVLTYBA-UHFFFAOYSA-N 330.476 3.779 0 50 EHAA CC(=O)NCc1ccc(-c2nc(Cc3ccccc3Cl)no2)cc1 346065459 XNLLMPHDXXRTJR-UHFFFAOYSA-N 341.798 3.617 0 50 EHAA COc1cccc(Cl)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 356911369 LGZIXEIXRAXYJX-YUELXQCFSA-N 337.847 3.504 0 50 EHAA Cn1c(SC[C@@]2(C)CC2(Cl)Cl)nnc1-c1cccnc1 408519694 RTJYBFITRHMQTA-GFCCVEGCSA-N 329.256 3.553 0 50 EHAA Cn1nc(C(F)F)cc1C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1 426533884 WJBXEMYOMUPJFN-ZDUSSCGKSA-N 333.382 3.624 0 50 EHAA CCc1ccc(NC(=O)N2Cc3ccc(OC)cc3C2)cc1OC 654106876 SIGIKEMDHIZIAH-UHFFFAOYSA-N 326.396 3.814 0 50 EHAA CCc1ocnc1C(=O)Nc1ccccc1C(=O)N1CCCC[C@H]1C 823571105 GHRCKYCLYOWHJK-CYBMUJFWSA-N 341.411 3.504 0 50 EHAA CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C[C@H]1C[C@]12CCOC2 886280422 DVPNDCJXOMGMCR-AYBZRNKSSA-N 335.875 3.919 0 50 EHAA O=C(O)[C@H](CNC1CCC(c2ccc(F)cc2)CC1)C1CCOCC1 888099784 QIVRLRCYVLVOFM-XUJQIHCRSA-N 349.446 3.569 0 50 EHAA COc1ccc(OC)c(CN[C@H]2CCCN(Cc3cccs3)C2)c1 952860116 FEOULVFRWQEAHJ-INIZCTEOSA-N 346.496 3.520 0 50 EHAA CC(=O)[C@@H]1C[C@H](c2nc(-c3cc(N)nc4ccccc34)no2)C1(C)C 952876773 WNOUDJWOCZXWSR-UONOGXRCSA-N 336.395 3.586 0 50 EHAA Cc1ccc2nc(CCN[C@H]3CCN(c4ccccc4)C3)[nH]c2c1C 1506430404 AVAJWGOENJEKLF-KRWDZBQOSA-N 334.467 3.591 0 50 EHAA Cc1cccc(C(C)C)c1NC(=O)CN(C)CCC[C@@H]1CCCO1 1529182230 YINDPFPADSGBEB-QGZVFWFLSA-N 332.488 3.948 0 50 EHAA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(Cl)s3)C1)CC2 1704338537 UMLPNZJZDQBNLZ-KRWDZBQOSA-N 347.871 3.620 0 50 EHAA COc1ccc(NC(=O)N2CCC(c3ccnc(O)c3)CC2)c(C)c1 1772808116 ZJYQWCUVFNVDES-UHFFFAOYSA-N 341.411 3.516 0 50 EHAA COc1cc(C)c(-c2nccn2CCc2cnn(C)c2)cc1C(C)C 1857700971 JCNJFRDRDRXGPM-UHFFFAOYSA-N 338.455 3.967 0 50 EHAA Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[C@H]32)c2cc(Br)ccc2n1 1875264835 ZHMAWCFTAFEUTJ-JVLSTEMRSA-N 345.240 3.834 0 50 EHAA C[C@@H]1O[C@H](C)C[C@H]1CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 1875292477 JOYDZOQJTUCIRP-DYEKYZERSA-N 329.362 3.867 0 50 EHAA O=C(c1[nH]c2ccccc2c1C1CC1)N1CC[C@@H](C2CCOCC2)C1 1875310091 CQSZTPBHNBNTBH-MRXNPFEDSA-N 338.451 3.934 0 50 EHAA FC(F)(F)Cn1cc(CN2CCc3[nH]c4ccccc4c3CC2)cn1 2325775595 NZEKMTPTDPCCKV-UHFFFAOYSA-N 348.372 3.528 0 50 EHAA CN(C(=O)c1ncoc1[C@@H]1CCCCN1)c1ccc2ccccc2c1 2325800700 BWVVXKLOMVTXSI-KRWDZBQOSA-N 335.407 3.919 0 50 EHAA C[C@@H]1COc2c(C(=O)Nc3ccc(Cl)cc3C(=O)O)cccc21 2325872443 XZKHSIXANNCJDL-SECBINFHSA-N 331.755 3.786 0 50 EHAA Cc1cc(C)c(C)c(C(=O)[C@H]2OC(=O)C(C)(C)C(=O)C2(C)C)c1C 303901 PYJJBARLPKXUKD-MRXNPFEDSA-N 330.424 3.650 0 50 EHAA CCN1C(=O)[C@@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 458780 JLEKCLMRJODQCY-JOCHJYFZSA-N 345.398 3.667 0 50 EHAA O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)[C@H]1CCCO1 614180 XEOGVQMTNQTIIN-MRXNPFEDSA-N 335.363 3.521 0 50 EHAA CC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1Cl 617865 CJKFSVGTEVRBBE-GFCCVEGCSA-N 327.815 3.935 0 50 EHAA COc1ccccc1N1C(=O)S/C(=C\c2cc(C)n(C)c2C)C1=O 2812984 SYEQIEUUQBIVSS-YBEGLDIGSA-N 342.420 3.891 0 50 EHAA O=C(NCCc1ccccc1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl 2887825 LOYUFJCQRNVACI-CVEARBPZSA-N 334.246 3.933 0 50 EHAA c1cncc(-c2nnc3sc(-c4csc5c4CCCC5)nn23)c1 4540214 RCVYNYJLFJJOMC-UHFFFAOYSA-N 339.449 3.855 0 50 EHAA CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)s2)c2ccccc21 4554918 UGRQTDCQFRIVER-LJQANCHMSA-N 343.448 3.664 0 50 EHAA Cc1ccc(C[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H](C)C(=O)O)cc1 4801826 BBRLINWIXHPXMR-CXAGYDPISA-N 329.371 3.652 0 50 EHAA O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(Cl)cn1 4828468 KGIJIAIPGMLATA-UHFFFAOYSA-N 343.858 3.628 0 50 EHAA Cc1oc(-c2cccs2)nc1CN(CCO)Cc1cccs1 12049565 JPKJPVGMKKWJIA-UHFFFAOYSA-N 334.466 3.768 0 50 EHAA CCC(CC)C(=O)NC[C@H]1Cc2cccc(-c3ncccc3C)c2O1 15000648 JMDXLSWDQTVDTA-QGZVFWFLSA-N 338.451 3.913 0 50 EHAA Brc1cccc(CN2CCN(Cc3ccccc3)CC2)c1 19536133 QWGNSKLLRWRUFB-UHFFFAOYSA-N 345.284 3.767 0 50 EHAA COCc1ccc(CN(C)[C@@H]2CCCN(CCc3ccccc3)C2)o1 20600190 HLMNIXTUQMRMBO-LJQANCHMSA-N 342.483 3.565 0 50 EHAA CC(C)CCC[C@H](C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 20607500 OKOXFBVNSPQMKU-LBPRGKRZSA-N 345.409 3.722 0 50 EHAA COc1ccc(-c2ccccc2N2CCNCC2)c2ccc(C)nc12 67965531 IYHXNEJCGWUGIV-UHFFFAOYSA-N 333.435 3.628 0 50 EHAA O=C(Cc1cccnc1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71524261 UJZAQALRZRJREW-KRWDZBQOSA-N 326.415 3.635 0 50 EHAA OCc1ccc(-c2nccn2-c2cccc(C(F)(F)F)c2F)o1 72145725 WBIJIUWVZCEYHT-UHFFFAOYSA-N 326.249 3.783 0 50 EHAA c1ccc2c(-c3nc4c(c(N5CCCCCCC5)n3)CNC4)c[nH]c2c1 72147462 UVIIAURMSHGUKU-UHFFFAOYSA-N 347.466 3.999 0 50 EHAA CC(C)N1C[C@@]2(CCCN(c3ccc4ccccc4n3)C2)CCC1=O 82120578 MIARABWNEPRWHJ-NRFANRHFSA-N 337.467 3.852 0 50 EHAA O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cc2ccccc2[nH]1 118710087 BCDFIJASPRNBJU-INIZCTEOSA-N 349.217 3.938 0 50 EHAA CO[C@@H](CNC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1ccccc1 170626919 QZUHXEDBNUSKDI-ICSRJNTNSA-N 328.456 3.906 0 50 EHAA CC(=O)N1CCC(CCC(=O)Nc2ccc(C)c3ncccc23)CC1 173258149 JGKAUVSQNHFEKJ-UHFFFAOYSA-N 339.439 3.520 0 50 EHAA Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccnc3ccncc23)cc1 185651400 BLDLZXQALVFRKR-KRWDZBQOSA-N 331.419 3.786 0 50 EHAA CC[C@@H](SC)C(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 189844636 WFCDSUOYZWGZNR-CYBMUJFWSA-N 332.391 3.645 0 50 EHAA OCCOc1ccc(CN2CC[C@@H](c3ccccc3Cl)C2)cc1 215986598 SSMSSYDSQBAULI-MRXNPFEDSA-N 331.843 3.701 0 50 EHAA CC(C)c1nnc([C@H](C)NC(=O)Cc2ccccc2C(F)(F)F)o1 221184356 GCZXVMBYVXWMRM-JTQLQIEISA-N 341.333 3.632 0 50 EHAA Cn1ccnc1[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C1CC1 223247513 OQSNSHHDMKPLFI-IBGZPJMESA-N 348.450 3.661 0 50 EHAA O=C([C@@H]1C[C@@H]1c1ccc(F)cc1F)N1CCC[C@@H](c2nccs2)C1 229669121 RKZTWFHFFLOBJZ-KCPJHIHWSA-N 348.418 3.931 0 50 EHAA CCN(C(=O)CCN1CCC[C@@H]1c1ccccn1)c1ccccc1C 244659420 HCGMGLDJQAWGTM-HXUWFJFHSA-N 337.467 3.970 0 50 EHAA C[C@@H](c1nc(-c2cc(F)c(F)c(F)c2)no1)N(C)CC(F)(F)F 252483533 FDRCOUGZQKDZHE-LURJTMIESA-N 339.239 3.709 0 50 EHAA CC[C@@H](C)[C@H](NC(=O)c1ccncc1Br)C(F)(F)F 277555773 JUNHFBCBPGEZSR-XCBNKYQSSA-N 339.155 3.551 0 50 EHAA COCC[C@@H](NCc1noc(C)n1)c1ccc(Cl)c(Cl)c1 284859575 RZIQQUXOMZSSKN-CYBMUJFWSA-N 330.215 3.552 0 50 EHAA COc1ccccc1Oc1ccccc1NC(=O)NC[C@H]1CCOC1 299756173 IWEGTEIMWDAHJC-CQSZACIVSA-N 342.395 3.646 0 50 EHAA CC[C@@H](C)c1ccccc1NC(=O)N1CCC2(CC1)CN(C)C(=O)O2 299777942 FQJMLIJYRZCPIP-CQSZACIVSA-N 345.443 3.649 0 50 EHAA Cc1nn(C)c(C)c1NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 331802418 SWFUPXKGULCOSE-CQSZACIVSA-N 346.406 3.600 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C 345030237 JHEWMRXIOJKNHF-SKDRFNHKSA-N 333.382 3.554 0 50 EHAA Cc1cncc(CN2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1 372511505 GZUCNEMZIDSGIY-QGZVFWFLSA-N 334.366 3.565 0 50 EHAA C[C@H](OC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 390823310 YSRFEKIXDTYWTJ-AWEZNQCLSA-N 331.412 3.858 0 50 EHAA Cn1c([C@H](NCC[C@H]2CCOC2)c2ccccc2)nc2ccccc21 408514308 CQEIKGLZZGTEBU-OXJNMPFZSA-N 335.451 3.679 0 50 EHAA O=C(N[C@@H](c1ccccc1)C(F)F)N1CCC(OC2CCC2)CC1 417170757 IXJYFAXOURYANI-INIZCTEOSA-N 338.398 3.736 0 50 EHAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@H](C)c1ccc(Cl)cn1 886095033 KLMVLAOMBXGTRZ-OMPKRAJASA-N 348.878 3.514 0 50 EHAA Cc1cccc(O)c1C(=O)N1CC(C)(C)[C@H]1c1nccn1CC1CC1 888100602 QIXVNIITWCOHCT-QGZVFWFLSA-N 339.439 3.530 0 50 EHAA Cc1cc(NC(=O)c2cc(CC(C)C)on2)ccc1N1CCCC1=O 952869784 ONBVFBVGHUWSPD-UHFFFAOYSA-N 341.411 3.561 0 50 EHAA O=C(CC(C1CCC1)C1CCC1)N1CCC(c2ncccn2)CC1 952992811 CJTBHSOYSQISSB-UHFFFAOYSA-N 327.472 3.789 0 50 EHAA CCOC(=O)c1nn(-c2ccccc2)cc1CN(C)c1ccccc1 1474408458 FPVJFDYHANSYQG-UHFFFAOYSA-N 335.407 3.685 0 50 EHAA CC1(N)CCC(NC(=O)c2cc(-c3ccc(Cl)cc3)ns2)CC1 1857531400 QFWSPPHZUKEIFV-UHFFFAOYSA-N 349.887 3.853 0 50 EHAA Cc1cccn2c(CC(=O)N3c4ccc(Cl)cc4C[C@@H]3C)cnc12 1875325968 IOTKPCCNZINXFP-ZDUSSCGKSA-N 339.826 3.816 0 50 EHAA O=C(OCc1ccc(Oc2cccnc2)cc1)[C@@H]1C[C@H]1[C@@H]1CCCO1 2325769099 HEPIVSHJAIIEEM-QRVBRYPASA-N 339.391 3.732 0 50 EHAA Cc1cccc2c(C(=O)O[C@@H](C(=O)N(C)C)c3ccccc3)coc12 2325874321 IIWRADYJEKOTJL-GOSISDBHSA-N 337.375 3.728 0 50 EHAA Cc1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1C 121826 JSXVOTJWYSVKNB-UHFFFAOYSA-N 340.810 3.735 0 50 EHAA CCOc1ccc(-c2nnc(NC(=O)Cc3ccccc3)s2)cc1 294181 BZLQWKAXWUVIMI-UHFFFAOYSA-N 339.420 3.785 0 50 EHAA Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1 310860 KLULIRLWUKLNFL-UHFFFAOYSA-N 340.398 3.625 0 50 EHAA COc1ccc(OC(=O)c2ccc(OC)c(Br)c2)cc1 359004 VWZPPOPUSSZEPI-UHFFFAOYSA-N 337.169 3.686 0 50 EHAA O=S(=O)(Nc1nnc(C2CCCCC2)s1)c1ccc(F)cc1 378605 NRMLKQSKIUWFMJ-UHFFFAOYSA-N 341.433 3.526 0 50 EHAA Cc1cc(OCC(=O)NC2CCCCCC2)ccc1Br 577772 RSLLYESSRNZFSN-UHFFFAOYSA-N 340.261 3.975 0 50 EHAA CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2530815 JBIJSEUVWWLFGV-GOSISDBHSA-N 339.391 3.778 0 50 EHAA biogenic,in-vitro COCCNCCCCOc1ccc(OCc2ccccc2)cc1 3000493 OYVWWSISHPNRGT-UHFFFAOYSA-N 329.440 3.661 0 50 EHAA CCCOc1cc(C)c(S(=O)(=O)NC2CCCCC2)cc1C 4810576 FCDJCLMFKXNOPP-UHFFFAOYSA-N 325.474 3.703 0 50 EHAA C[C@H]1CCCN(c2nc3nonc3nc2Nc2cccc(Cl)c2)C1 4854391 PJQXTCJGDMAUOV-JTQLQIEISA-N 344.806 3.646 0 50 EHAA CC(C)n1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CC1 6726812 MXYFBHIQTIZOEQ-UHFFFAOYSA-N 334.420 3.606 0 50 EHAA COc1ccc(/C=C(/C(=O)NCc2cccnc2)c2ccccc2)cc1 13899319 BKIMVWCAENBXQH-KGENOOAVSA-N 344.414 3.947 0 50 EHAA biogenic Cc1ccc(SCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 16474673 LSXFWPCDRLDYKF-UHFFFAOYSA-N 340.492 3.675 0 50 EHAA O=C(O)CC1(CC(=O)Nc2nc3ccc(F)cc3s2)CCCC1 17070708 LVLXQZLETYHXOL-UHFFFAOYSA-N 336.388 3.799 0 50 EHAA CCc1ccccc1NC(=O)N1CCN(Cc2ccc(C)cc2)CC1 20213649 OWCWPGNDQOHMMS-UHFFFAOYSA-N 337.467 3.907 0 50 EHAA C[C@H]1CCc2c(sc3ncn([C@H](C)Cc4cccnc4)c(=O)c23)C1 32577796 IEDUBZLQTRUNES-QWHCGFSZSA-N 339.464 3.782 0 50 EHAA Cc1oc(-c2ccoc2)nc1CN(C)C[C@@H]1COc2ccccc2O1 55090826 PSESVZOKJQGEBS-OAHLLOKOSA-N 340.379 3.515 0 50 EHAA Cc1csc(SCc2nc(C3CC3)nn2-c2ccncc2C)n1 65429734 CPQKFANBXHAVBP-UHFFFAOYSA-N 343.481 3.905 0 50 EHAA Cc1noc(C)c1[C@@H]1CCCN1Cc1cccc(Cn2cccn2)c1 67774059 DSFDYFOQCRSAOI-IBGZPJMESA-N 336.439 3.873 0 50 EHAA CC(C)(C)c1cc(CN2CCO[C@@H](CCc3ccccc3)C2)n[nH]1 71762277 MVFFKYOLVNYAPO-SFHVURJKSA-N 327.472 3.541 0 50 EHAA CN(Cc1csc(-c2cccs2)n1)C(=O)Cc1ccccc1O 72429500 CVBADYGFQGPRQE-UHFFFAOYSA-N 344.461 3.778 0 50 EHAA C[C@@H](c1cccnc1)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 72432282 ZQSXHALRDCILIU-HNNXBMFYSA-N 326.440 3.618 0 50 EHAA O=C(Cc1ccc(F)cc1Cl)N1CCCC[C@H]1CCn1cccn1 82099977 GVYNUXXANHSXTN-INIZCTEOSA-N 349.837 3.690 0 50 EHAA C[C@H](CCc1ccccc1)N1CCC2(CC1)Nc1ccccc1NC2=O 82137579 XSCGFJYGFKKPLN-QGZVFWFLSA-N 349.478 3.907 0 50 EHAA CC[C@@H](C(=O)N(C)Cc1csc(-c2cccs2)n1)n1cccn1 91877223 IYLRONITYKCFKE-ZDUSSCGKSA-N 346.481 3.678 0 50 EHAA Cc1cccc2cc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)n(C)c12 95354450 ULQYJBUNORZBHB-FQEVSTJZSA-N 347.462 3.616 0 50 EHAA COc1cccc(-c2ccccc2NC(=O)NCC[C@H](C)OC)c1 97217643 YPQWPFDUNXKJRY-AWEZNQCLSA-N 328.412 3.909 0 50 EHAA Cc1ccc([C@H](C)NC(=O)c2cnc3snc(C)c3c2)cc1F 121700502 PRKAGKYRAUTJCI-JTQLQIEISA-N 329.400 3.938 0 50 EHAA Fc1ccc(-c2noc([C@@H]3CCCN3c3nccs3)n2)cc1F 125461483 GABPPJHYQQIPRR-LBPRGKRZSA-N 334.351 3.813 0 50 EHAA O=C(NOCc1cccnc1)c1c(O)c(Cl)cc(Cl)c1Cl 154109415 UCCLVVNINFRQBY-UHFFFAOYSA-N 347.585 3.609 0 50 EHAA Cc1cccc(C(=O)Nc2ccccc2N2CCC(O)CC2)c1Cl 165634682 KFBBDRLZEFEIMB-UHFFFAOYSA-N 344.842 3.862 0 50 EHAA COc1ccc2nc(C)cc(C(=O)NC[C@@H]3Cc4ccccc43)c2c1 170638989 CKMOTFKCMOJNNX-HNNXBMFYSA-N 332.403 3.622 0 50 EHAA Cc1cccc(C2(c3nc(Cc4noc(C)n4)no3)CCCCC2)c1 170651570 SIKVZALAHNYFMW-UHFFFAOYSA-N 338.411 3.910 0 50 EHAA COc1ccc(C)nc1NC(=O)c1cc(F)ccc1Br 174797051 IDURXSRMOBQBMV-UHFFFAOYSA-N 339.164 3.553 0 50 EHAA CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1c(C)c(C(F)(F)F)nn1C 183946042 FIMDCYYDSGSYNS-VXGBXAGGSA-N 347.381 3.671 0 50 EHAA Cc1nc(C(=O)Oc2ccc3c(c2)NC(=O)CC3)c(-c2ccccc2)o1 186707392 LCAWBSKSKZGLDL-UHFFFAOYSA-N 348.358 3.754 0 50 EHAA FC(F)[C@H]1CN(c2nc(-c3ccsc3)nc3ccccc23)CCO1 193581381 WRXPYGXXCPCKMM-CQSZACIVSA-N 347.390 3.829 0 50 EHAA CC(C)(C)OC(=O)N1CCC[C@H](CCc2ccccc2)[C@H]1C(=O)O 221035989 PRZZNHCYHUYMIC-CVEARBPZSA-N 333.428 3.720 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1csc(Br)c1 227219512 KURVSLROBQZXAG-SRVKXCTJSA-N 344.274 3.728 0 50 EHAA C[C@H](O)c1ncc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)s1 241923309 UEVRTKCBDKRYMY-JTQLQIEISA-N 336.844 3.659 0 50 EHAA Cc1cc(C)cc(CSCC(=O)N[C@H](C)c2nc(C3CC3)no2)c1 244763924 OYALHFCZRMZMJY-CYBMUJFWSA-N 345.468 3.674 0 50 EHAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2Cc3cc(F)ccc3C2=O)CC1 255190258 VYBLZALMKJNANM-SHTZXODSSA-N 348.418 3.617 0 50 EHAA O=C(c1cc(Cl)c[nH]1)N(Cc1ccsc1)[C@H]1CC12CCNCC2 275508926 BOPOMDUMXNLDRQ-HNNXBMFYSA-N 349.887 3.514 0 50 EHAA Cn1nccc1[C@@H]1OCC[C@H]1CNCc1csc2ccccc12 275669631 VNHAMKUNJCSYNS-SCLBCKFNSA-N 327.453 3.502 0 50 EHAA COc1cc(F)ccc1NC(=O)[C@@H]1C[C@]12CCOc1ccccc12 277023859 XCDPIFUJIZSRDJ-LIRRHRJNSA-N 327.355 3.513 0 50 EHAA c1ccc(-c2nc(CN[C@@H](c3nnc[nH]3)C3CCCCC3)co2)cc1 292115762 KNSXMYSCQYKLRI-QGZVFWFLSA-N 337.427 3.871 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 299739914 SUMMZYBDXVPSDQ-ASEORRQLSA-N 341.282 3.683 0 50 EHAA CCc1nc(NC(=O)CN2CCC[C@H]2c2ccc(C)o2)sc1C 331377105 CNMKSYBFCVFZLV-AWEZNQCLSA-N 333.457 3.691 0 50 EHAA CC(C)[C@@H](NC(=O)c1nn(C)c2ccccc12)c1nc2ccccc2[nH]1 334162269 RFXBWCVKULBDKD-QGZVFWFLSA-N 347.422 3.577 0 50 EHAA O=C(Cc1ccc2c[nH]nc2c1)N(Cc1c(F)cccc1F)C1CC1 357177930 NIQSDTFMHBKVIF-UHFFFAOYSA-N 341.361 3.575 0 50 EHAA Cc1cc(C(=O)N2CC(C)(C)[C@H]2C2CC2)c(C)n1Cc1ccncc1 359265746 UBRDCLZFTWKFHU-LJQANCHMSA-N 337.467 3.809 0 50 EHAA COc1cccc(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)c1 373042760 NKFXVFNSEHGPEU-UHFFFAOYSA-N 336.391 3.631 0 50 EHAA N[C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)C1 426490167 HHCOLWAXQWVNRS-CABCVRRESA-N 348.368 3.982 0 50 EHAA Cc1c(N[C@H](C)c2ccc(OC(F)F)cc2)cnn1[C@@H]1CCOC1 453363647 WDBJZWVJXOZLQP-BXUZGUMPSA-N 337.370 3.927 0 50 EHAA COc1c(F)cc(F)cc1NC(=O)N1CCOc2ccc(C)cc2C1 476506219 GCNCREZPEFWYAN-UHFFFAOYSA-N 348.349 3.708 0 50 EHAA CCOc1ccc([C@@H](CC)NC(=O)N2CCC3(CCCO3)CC2)cc1 534656587 HLTCHEBHATUBQN-GOSISDBHSA-N 346.471 3.891 0 50 EHAA Cc1nc(-c2ccncc2)nc(N2CCC[C@@H](c3ccccn3)C2)c1C 664125270 HOBXTIPXYJJJML-GOSISDBHSA-N 345.450 3.934 0 50 EHAA O=C(c1cnc2c(C(F)(F)F)cccn12)C(Cl)(Cl)Cl 675083689 HSJDIKJTGLSIRT-UHFFFAOYSA-N 331.508 3.906 0 50 EHAA C[C@@H](NC(=O)Cc1cn(C)nc1Cl)c1cc2ccccc2s1 814409572 NQZRQVFUEUFWGQ-SNVBAGLBSA-N 333.844 3.708 0 50 EHAA CCn1nc(COc2ccccc2OC)nc1-c1cccn1C1CC1 823599778 HBQSGNRAPGUKNG-UHFFFAOYSA-N 338.411 3.689 0 50 EHAA O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@@H]1CCC[C@H](c2ccccc2)C1 827811630 RUOHBGYFCNKTRC-QKLQHJQFSA-N 348.446 3.704 0 50 EHAA CC(C)n1nccc1C(=O)Nc1ccnn1Cc1ccc(Cl)s1 888256054 OBDAAIBHXLZKIK-UHFFFAOYSA-N 349.847 3.676 0 50 EHAA Cc1ccc(-c2csc(NC(=O)CCN3CCCCC3=O)n2)s1 1506427747 ZYYUMSASSYABKG-UHFFFAOYSA-N 349.481 3.521 0 50 EHAA Cc1n[nH]c(C)c1NC(=O)N1CCC[C@@]1(C)Cc1cccc(F)c1 1775986554 HWAQULQTTBVEJG-SFHVURJKSA-N 330.407 3.795 0 50 EHAA O=C(N[C@@H]1CC[C@H](OC(F)F)C1)N[C@@H]1CCc2cc(Cl)ccc21 1775988324 YWCWUHMHCZKQCT-MBNYWOFBSA-N 344.789 3.787 0 50 EHAA CCc1cc(C(=O)N2CC[C@@H](Cc3ccccc3)C2(C)C)c(C)nn1 1875391900 AMZVOHGSYOUNAE-KRWDZBQOSA-N 337.467 3.831 0 50 EHAA COc1cccc([C@@H](C)NC[C@H](CO)Cc2ccccc2C)c1OC 2325794861 UJDWVYWJIHSJON-IAGOWNOFSA-N 343.467 3.514 0 50 EHAA COc1cc(SC)ccc1C(=O)Nc1nnc(CC(C)C)s1 74115 BEMIILXUOIUYDX-UHFFFAOYSA-N 337.470 3.719 0 50 EHAA COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(F)cc3)C2)cc1OC 110351 MBNSKEQYNSHMDI-KRWDZBQOSA-N 342.370 3.541 0 50 EHAA COc1ccc(OC)c(NC(=O)COc2ccc(C(C)C)cc2)c1 128469 QBJNQNSZDKSKDY-UHFFFAOYSA-N 329.396 3.845 0 50 EHAA CCN(CC)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 331170 YLAKAILXHFFTNE-UHFFFAOYSA-N 333.482 3.721 0 50 EHAA CCc1ccc(OCC(=O)NC2CCCCC2)c(Br)c1 357423 MCIAIRCWHKSDFA-UHFFFAOYSA-N 340.261 3.839 0 50 EHAA Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1C 382070 UNNKBJKZXDHTOJ-CQSZACIVSA-N 342.826 3.948 0 50 EHAA CCc1c(C)sc(NC(=O)c2ccccc2OC)c1C(=O)OC 435776 YHQDUWZLZRCUJK-UHFFFAOYSA-N 333.409 3.666 0 50 EHAA NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCCC2 442591 HUWYRDGVVDEJSL-UHFFFAOYSA-N 346.427 3.897 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccccc1 443525 RBUYEYLOGVLZJH-CYBMUJFWSA-N 329.421 3.983 0 50 EHAA CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCCO)c(C(C)C)c1 2464541 CAAQXRULULHWPR-UHFFFAOYSA-N 341.517 3.718 0 50 EHAA O=S(=O)(c1ccccc1)n1c(Br)cc2ccccc21 2513734 DILGYNXRWCVNEV-UHFFFAOYSA-N 336.210 3.641 0 50 EHAA C[C@@H](Sc1nnc(N)s1)C(=O)Nc1cc(Cl)ccc1Cl 3370546 DOOIQCBQRNBRMX-RXMQYKEDSA-N 349.268 3.546 0 50 EHAA C[C@H]1C[C@H](C)CN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 4744305 FNBMJZIPZAPMMH-GJZGRUSLSA-N 334.891 3.923 0 50 EHAA COc1ccc([C@@H](O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 5720587 XQKGHTCAMDFFJF-HNNXBMFYSA-N 346.383 3.710 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)N1C[C@@H](C)C[C@H](C)C1 6825585 DDFOBDSYMCJJSS-UWVGGRQHSA-N 326.487 3.518 0 50 EHAA Cn1cc(CN2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1 12073492 UOCAFXNMIYTDTM-SFHVURJKSA-N 339.483 3.813 0 50 EHAA CCCc1noc(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)n1 12305589 QWKLDEJVTZQGFK-HNNXBMFYSA-N 325.416 3.544 0 50 EHAA C/C=C(\C)CN1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 12443723 MLXSETSLNLJVDP-IAILITGJSA-N 348.437 3.746 0 50 EHAA COc1cccc(NC(=O)CN2c3ccc(F)cc3CC[C@H]2C)c1 14195717 FMPHBGZECNACQY-CYBMUJFWSA-N 328.387 3.614 0 50 EHAA Cc1c(C(=O)N(CCO)Cc2cccs2)oc2c(F)cccc12 14974908 OOTMSOWTYXLKKU-UHFFFAOYSA-N 333.384 3.577 0 50 EHAA Fc1ccccc1N1CCN(c2ccc(-c3ccccc3)nn2)CC1 20732630 BWEYFQYJHZDUQQ-UHFFFAOYSA-N 334.398 3.609 0 50 EHAA Cc1nc(CN(C)C(=O)Nc2nc(-c3ccccc3)ns2)cs1 32593076 KBMGVKXIXABXQO-UHFFFAOYSA-N 345.453 3.634 0 50 EHAA Cc1ccsc1[C@@H]1CCN(Cc2cccc3[nH]ccc23)C[C@H]1O 67541295 DMNQWZDVXQMDND-SJLPKXTDSA-N 326.465 3.888 0 50 EHAA Cc1ccc(CN2CCC[C@H](N3CCCC3=O)C2)c(Cl)c1Cl 71771807 GTYCAGRMZARSJR-AWEZNQCLSA-N 341.282 3.889 0 50 EHAA Cc1cccc(CN2CCN(Cc3ccc(Cl)c(F)c3)CC2=O)c1 72158047 JGTNDVDXHFJHLP-UHFFFAOYSA-N 346.833 3.632 0 50 EHAA CCOc1cc(-c2nccn2[C@@H]2CCNC2)cc(Cl)c1OCC 72453451 WRMMWJAKNIUXOW-CYBMUJFWSA-N 335.835 3.535 0 50 EHAA CN(C)C(=O)c1cccnc1N1CCC[C@@H](CCc2ccccc2)C1 72478166 NWHKKFLAQJGCIK-SFHVURJKSA-N 337.467 3.633 0 50 EHAA O=C(c1ccc([C@@H]2CCCN2)s1)N1CCC(c2ccncc2)CC1 77303473 HFIYEIQHWAXZSK-INIZCTEOSA-N 341.480 3.587 0 50 EHAA Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)NC(C)(C)C)cc1C 91547553 HLQAKWYRQVGKHF-QGZVFWFLSA-N 340.471 3.964 0 50 EHAA CCc1cc(CN(C)C(=O)c2oc3cc(OC)ccc3c2C)on1 91756983 JTFKVDRENGPVHK-UHFFFAOYSA-N 328.368 3.572 0 50 EHAA O=S1(=O)C=C[C@@H](Cc2nc(C3CCCC3)nn2C2CCCCC2)C1 96151547 POKACLCPPUBLRP-AWEZNQCLSA-N 349.500 3.542 0 50 EHAA O=C(Nc1cccnc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 97307292 JCQQZEPALOSOET-UHFFFAOYSA-N 339.395 3.787 0 50 EHAA Cc1ccc([C@@H]2COCCN2C(=O)c2cccc(-n3cccc3)c2)o1 116708963 KVAHKXNWIWNTFJ-SFHVURJKSA-N 336.391 3.592 0 50 EHAA CCN(C(=O)c1cc(C)n(-c2ccc(F)cc2F)n1)c1cccnc1 123134657 BMYUYASFRFGCHZ-UHFFFAOYSA-N 342.349 3.521 0 50 EHAA Cc1ccc(NC(=O)N2C[C@H](C)O[C@H](c3ccccc3)C2)c(C)n1 152184322 NLOIDXMBPGMRHJ-KSSFIOAISA-N 325.412 3.692 0 50 EHAA FC(F)(F)c1nnc(N2CC[C@@H](COCc3ccccc3)C2)s1 154978315 JVRVYFWRPXDSNN-GFCCVEGCSA-N 343.374 3.600 0 50 EHAA Cn1cnc2cc(C(=O)N3C[C@@H](c4ccccc4)C(C)(C)C3)ccc21 155107526 UALFBUQXPXPFRU-KRWDZBQOSA-N 333.435 3.839 0 50 EHAA CC(C)(C)c1cnc(CNC(=O)N[C@H]2CCCc3sccc32)o1 163245299 HKXJMPKJGALXFS-LBPRGKRZSA-N 333.457 3.910 0 50 EHAA Cc1c(Cl)ccc2ccc(NC(=O)[C@H](N)c3ccccc3)nc12 170070842 ADMXSUAMKRLLBZ-MRXNPFEDSA-N 325.799 3.835 0 50 EHAA Cc1ccccc1C(=O)OC1CCN(c2nncc3ccccc23)CC1 170650807 IKXWLOGFTQDPQG-UHFFFAOYSA-N 347.418 3.764 0 50 EHAA Cc1ncsc1CN(C)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 170997234 UOEBMLNFOKPTQK-RDJZCZTQSA-N 345.468 3.513 0 50 EHAA O=C(NCC1CCN(c2ccncc2)CC1)Nc1cccc2[nH]ccc12 180831627 BTWUIJYAOJOAHX-UHFFFAOYSA-N 349.438 3.601 0 50 EHAA Cc1noc([C@@H](C)OC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)n1 183555636 MGQZECHGLCGLRB-VHSXEESVSA-N 336.775 3.545 0 50 EHAA Cc1ncccc1CNC1CCC(Oc2ncccc2Cl)CC1 186514540 LGPLBLMBVJKOSP-UHFFFAOYSA-N 331.847 3.918 0 50 EHAA CCN(C(=O)c1scc(C)c1Br)c1ccncc1 191417715 ZTEJHFJFPAIHHQ-UHFFFAOYSA-N 325.231 3.881 0 50 EHAA COCc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCc3cccnc32)o1 192672796 RKXSGOYJVUMMNZ-IAGOWNOFSA-N 340.423 3.605 0 50 EHAA Cc1ncc(C(=O)Nc2cc(-c3ccccc3C)nn2C)c(C(C)C)n1 193167707 XGGLXKNUTUIXAY-UHFFFAOYSA-N 349.438 3.870 0 50 EHAA O=C(NCc1ccc2ncccc2c1)Nc1cccnc1N1CCCC1 193721817 UBKBOWPXOOCVAD-UHFFFAOYSA-N 347.422 3.552 0 50 EHAA COc1cccc([C@H]2CCN(Cc3ccc4ccccc4n3)C[C@@H]2O)c1 209783767 KLRCAABHFWWRMN-IRLDBZIGSA-N 348.446 3.594 0 50 EHAA COCC[C@H](NC(=O)c1sccc1Br)c1ccco1 272651688 HCYPVGIREDEJDZ-JTQLQIEISA-N 344.230 3.611 0 50 EHAA O=C(CSc1ccccc1)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 273355154 ZIDOYCHJFURWCF-FUHWJXTLSA-N 345.439 3.954 0 50 EHAA C[C@H]1CN(C(=O)c2noc3c2CCCC3)c2cccc(Cl)c2O1 276490403 UNQOYBALKZVOTM-JTQLQIEISA-N 332.787 3.635 0 50 EHAA c1cncc(CNCc2cccc(OCc3ccc4c(c3)OCO4)c2)c1 299797343 NOJBTLISJKAODR-UHFFFAOYSA-N 348.402 3.679 0 50 EHAA C[C@H](Cc1ccncc1)NC(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 413351626 AZTOCOWNGQLBMC-YLJYHZDGSA-N 349.478 3.992 0 50 EHAA O=C(NCc1noc(C2CC2)n1)N1CCCC[C@@H]1c1ccc(F)cc1 534669095 FDSPHHNVXUBUAH-OAHLLOKOSA-N 344.390 3.523 0 50 EHAA CC(C)(C)OC(=O)Nc1ccc(CNC(C)(C)c2ccccc2)nn1 864094044 BIKIKKFXDSIPIR-UHFFFAOYSA-N 342.443 3.849 0 50 EHAA Cc1cc(C)c2c(CC(=O)Nc3cnn4c3NCCC4)coc2c1C 1506403601 UOXJJXXCCVYPTO-UHFFFAOYSA-N 338.411 3.551 0 50 EHAA CCn1nc(C(C)C)cc1C(=O)Nc1c(C)cnn1C1CCCC1 1529105659 GKWAZTWFKBGSCC-UHFFFAOYSA-N 329.448 3.899 0 50 EHAA Cc1ncc2c(n1)[C@]1(CCCN(Cc3sccc3Cl)C1)CC2 1704332508 YSHRFUWHKWQBPP-QGZVFWFLSA-N 333.888 3.980 0 50 EHAA CC(=O)Nc1ccc(NC(=O)c2coc3cc(F)cc(F)c23)cc1 1857527523 FPAMRULBPFDMGE-UHFFFAOYSA-N 330.290 3.922 0 50 EHAA Cn1ccc(C(C)(C)NC(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)n1 2325814952 YDHANWZMDLTMJY-ZWKOTPCHSA-N 348.450 3.664 0 50 EHAA Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)c(Br)c1 365935 BJMIKAGPSUVQKO-UHFFFAOYSA-N 334.169 3.739 0 50 EHAA O=C(Nc1ccc(O)cc1)c1ccc(NC(=O)c2cccs2)cc1 450679 VGNBTOMRNPGGLG-UHFFFAOYSA-N 338.388 3.958 0 50 EHAA CN(C)S(=O)(=O)N(Cc1ccc(C(C)(C)C)cc1)c1ccccc1 2478114 QWTQXFMVQOSDJH-UHFFFAOYSA-N 346.496 3.797 0 50 EHAA COc1cc(-c2noc(/C=C/c3ccccc3)n2)cc(OC)c1OC 4662612 WSTLELVDGMSRHY-MDZDMXLPSA-N 338.363 3.933 0 50 EHAA Cc1ccc(CCNC(=O)c2ccc3c(c2)nc2n3CC[C@H](C)C2)cc1 8614449 CMEQQFIQATYOHG-INIZCTEOSA-N 347.462 3.900 0 50 EHAA CCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccn1 8714752 VUBMQSCUIVESTP-UHFFFAOYSA-N 340.832 3.633 0 50 EHAA O=C(CC[C@@H]1CCCN(Cc2ccc(Cl)s2)C1)NC1CC1 12092846 XFDUVTNYDSOTKB-LBPRGKRZSA-N 326.893 3.672 0 50 EHAA CCCOc1ccc2cc(S(=O)(=O)NCc3ccco3)ccc2c1 12291733 CTNWGKVNSWMJHZ-UHFFFAOYSA-N 345.420 3.700 0 50 EHAA Cc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 17029266 ZQIRJXYNVOBHNH-UHFFFAOYSA-N 334.788 3.716 0 50 EHAA Cc1nn(S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1Cl 17071161 ZXJLWGYJGSUXDW-UHFFFAOYSA-N 339.631 3.697 0 50 EHAA O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1CN1CCCCC1 19201886 ZKQRMZQCCLFEET-RWZRJOGJSA-N 328.437 3.723 0 50 EHAA COc1ccc(-c2cc3nc(C)cc(NC(C)C)n3n2)cc1OC 21790424 OKYDOLVNJSXQFW-UHFFFAOYSA-N 326.400 3.542 0 50 EHAA Cc1n[nH]c2c1[C@@H](c1ccccc1OCc1ccccc1)CC(=O)N2 35171238 IXSCTUXLNKNXNH-MRXNPFEDSA-N 333.391 3.771 0 50 EHAA Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2cc(F)ccc2F)c1 36620318 WWBGETKPJXJSNS-INIZCTEOSA-N 337.391 3.799 0 50 EHAA FC(F)(F)CCCN1CCC(n2cc(C3CCCC3)nn2)CC1 55211670 NBDXEDPYQCSIJN-UHFFFAOYSA-N 330.398 3.915 0 50 EHAA COc1cccc(N2CCN(Cc3c(F)cccc3Cl)CC2)c1 55291884 ZUFBIPWYYFTKKL-UHFFFAOYSA-N 334.822 3.810 0 50 EHAA CCOCCOc1cccc(C(=O)Nc2ccnn2[C@@H](C)C(C)C)c1 55344619 BAFMDQXBKCGDTC-HNNXBMFYSA-N 345.443 3.768 0 50 EHAA CCCC(=O)Nc1cccc(C(=O)N2CCC[C@H](CCCOC)C2)c1 55384943 BFDAJBIUTBOJRW-MRXNPFEDSA-N 346.471 3.704 0 50 EHAA Cc1ccc(SCCN(C)C(=O)c2ccnc(C(C)C)n2)cc1 55404098 XPHDVGFMVYDLBT-UHFFFAOYSA-N 329.469 3.773 0 50 EHAA CCc1ocnc1C(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 65398650 CDURGNGJLJBRDC-FQEVSTJZSA-N 338.407 3.708 0 50 EHAA OCC1(CCOc2ccccc2)CCN(c2ccc(Cl)cn2)CC1 67641160 WVQMFBLPCQQFBV-UHFFFAOYSA-N 346.858 3.783 0 50 EHAA Cc1cc(Cn2ccnc2-c2cnc(-c3ccccc3C)nc2)on1 71759531 ZHSDRNBGWPCFNQ-UHFFFAOYSA-N 331.379 3.660 0 50 EHAA CC(C)Nc1ccnc(N[C@H]2CCCN(Cc3ccccc3F)C2)n1 72424524 TVFRAWDJZZTCKF-INIZCTEOSA-N 343.450 3.513 0 50 EHAA CNC(=O)c1ccc(CN2CCCC[C@H]2CCc2cccs2)o1 77439985 MPIHVFIJEPRQDJ-AWEZNQCLSA-N 332.469 3.688 0 50 EHAA CCc1nc(N)sc1C(=O)N1CCCC[C@@H]1CCc1cccs1 77470592 ZRGPQWMEHIYEDD-GFCCVEGCSA-N 349.525 3.977 0 50 EHAA COCCn1ccnc1[C@H]1CCCN(Cc2ccc(Cl)s2)C1 91620830 RCHRVJQRBDPCAV-ZDUSSCGKSA-N 339.892 3.624 0 50 EHAA CC(C)n1ccnc1C1CCN(C(=O)c2cncc(Cl)c2)CC1 91966345 SNWZRSFLYRHYLY-UHFFFAOYSA-N 332.835 3.532 0 50 EHAA Cc1noc(C)c1CN1CCC[C@H](c2nccn2CC2CCC2)C1 95383217 KLVKBIHENKDIFO-KRWDZBQOSA-N 328.460 3.668 0 50 EHAA Cc1cccc(-n2nc(C)nc2[C@H](C)Oc2ccc(F)cc2F)n1 97655385 BRBNGNAXBAQWGA-NSHDSACASA-N 330.338 3.697 0 50 EHAA Cc1ccc(C)c(CNC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1 102687497 YBGQGLGFRRMFRN-FBIZOPLVSA-N 327.468 3.641 0 50 EHAA CC[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)c1nccs1 131056391 ACNOUCOQWDADBO-AWEZNQCLSA-N 343.452 3.832 0 50 EHAA CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@H](O)c1c(F)cccc1F 133560533 QFIXIVLGPFYXLD-KRWDZBQOSA-N 343.377 3.520 0 50 EHAA Cc1c(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)cnn1C1CCCC1 138227673 UFHBKHGTEJJAEO-HNNXBMFYSA-N 346.519 3.547 0 50 EHAA Cc1ncsc1CN(C)C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 170997240 UOEBMLNFOKPTQK-NVXWUHKLSA-N 345.468 3.513 0 50 EHAA NC(=O)c1cccc(CN2CCc3cc(-c4ccccc4)oc3C2)c1 177720799 NDDUXSNMPYWOSA-UHFFFAOYSA-N 332.403 3.604 0 50 EHAA CC(C)(C(=O)Nc1cccc2c1OCC[C@H]2O)c1ccccc1F 185327722 JJTARXMLPGVOPZ-MRXNPFEDSA-N 329.371 3.558 0 50 EHAA C[C@@H](NC(=O)Cc1ccc(F)cn1)c1cccc(C(F)(F)F)c1 225501242 ZXJQVEOGGWJSHW-SNVBAGLBSA-N 326.293 3.659 0 50 EHAA COc1cc(Cl)c(C)cc1NC(=O)N(Cc1nccn1C)C1CC1 244690873 IYLAOWVVNOFAHH-UHFFFAOYSA-N 348.834 3.587 0 50 EHAA COC(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2C)c2ccccc21 248041860 MDWJQIDHXRKAMM-QRVBRYPASA-N 349.430 3.792 0 50 EHAA Cc1cc([C@@H]2CCCN(C(=O)c3occc3-c3ccccc3)C2)[nH]n1 283419220 URFQYPVLQUEAEZ-MRXNPFEDSA-N 335.407 3.998 0 50 EHAA CCOC(=O)CS[C@H]1c2ccccc2C(=O)N1C1CCCCC1 334163127 MDVUDBVAROMAKT-SFHVURJKSA-N 333.453 3.770 0 50 EHAA Cc1nnsc1C(=O)N1CCC[C@H]1C[C@@H]1CCCc2ccccc21 372829712 HNENWYVFUIPEJC-HOTGVXAUSA-N 341.480 3.961 0 50 EHAA CC(C)(C)C(=O)Nc1ccc(-c2csc(-c3nc[nH]n3)n2)cc1 408523331 IRVTYGVOSVMDIU-UHFFFAOYSA-N 327.413 3.580 0 50 EHAA CCOCCC1(C(=O)Nc2ncc(-c3cnccn3)s2)CCCC1 416124016 YYRDJNVKNOGHKK-UHFFFAOYSA-N 346.456 3.526 0 50 EHAA Cc1c(CN(C)C(=O)CC[C@@H](C)N2CCCC2)[nH]c2ccccc12 426433577 GSFBJBHPQYMDRE-OAHLLOKOSA-N 327.472 3.699 0 50 EHAA CSCc1ccc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)nc1 534589482 TXXJUPLFNVWFKY-QGZVFWFLSA-N 342.464 3.520 0 50 EHAA CCc1nc(C)c(-c2nc([C@H](OC)c3cccc(OC)c3)no2)s1 665066565 BCHSJAPGOMRSCO-CQSZACIVSA-N 345.424 3.808 0 50 EHAA Cc1nn(C)c2ncc(NC(=O)[C@H]3CCc4c(Cl)cccc43)cc12 678815341 VJUCFJRONVEFKR-AWEZNQCLSA-N 340.814 3.599 0 50 EHAA Cc1n[nH]cc1C1CCN(C(=O)c2cc(-c3ccccc3)ccn2)CC1 935880845 UHXMAQZSDQMMJH-UHFFFAOYSA-N 346.434 3.800 0 50 EHAA Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)Cc1ccc(Cl)cc1 1259243787 RTVORLFVDXSIQK-KRWDZBQOSA-N 335.856 3.755 0 50 EHAA C[S@](=O)c1cccc(NC(=O)N2CCCCC[C@H]2C(F)(F)F)c1 1465568885 QRELIMHNWXUGES-NPMABZOXSA-N 348.390 3.763 0 50 EHAA CN(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529144035 DOOWTJCDFSPVQW-NMWPEEMBSA-N 329.362 3.567 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)C(C)(C)Oc3ccc(C)cc3)C[C@@H]21 1704303306 GVFYPJDTZWSMTM-PLMTUMEDSA-N 345.483 3.552 0 50 EHAA C[C@H]1CC[C@@H](/C=C/Nc2ccc(I)cc2)C1=O 1776111195 FWVGIXWRTPJRQH-WRSFFWLLSA-N 341.192 3.832 0 50 EHAA O=C(NCc1cc(C2CC2)n[nH]1)NCc1ccc2ccccc2c1F 1875294826 OIWKYSKQXQNZGG-UHFFFAOYSA-N 338.386 3.579 0 50 EHAA Cc1csc([C@@H]2[C@@H](C(=O)NC[C@@]34CCC[C@@H]3C4(F)F)C2(C)C)n1 1875404796 VAZBGCGOEVAIEM-YWDSYVAPSA-N 340.439 3.743 0 50 EHAA CC1CCC([C@](C)(O)CNC(=O)c2ccc3c(c2)CCCC3)CC1 2325842262 SLQVJZJZDFNRRH-FFYTWODTSA-N 329.484 3.873 0 50 EHAA O=C1N(Cc2ccccc2)CCC[C@]12CCCN2CCc1ccccc1 2356139250 UWAVRFHCYJEKTF-QHCPKHFHSA-N 348.490 3.886 0 50 EHAA O=C(NC[C@@H]1COc2ccccc2O1)c1cc(Cl)cc(Cl)c1 113831 AGPKUOWBVTZJSP-CYBMUJFWSA-N 338.190 3.563 0 50 EHAA Cc1ccc(S(=O)(=O)c2nc(C)oc2NCc2ccccc2)cc1 192206 RDCOWDPBDDSINA-UHFFFAOYSA-N 342.420 3.736 0 50 EHAA aggregator CCOc1cc(C(=O)NCc2cccs2)cc(OCC)c1OCC 376373 RATULRNFTBRASG-UHFFFAOYSA-N 349.452 3.874 0 50 EHAA O=CN[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 442677 JSGQCYOVXAAVIY-MRVPVSSYSA-N 336.433 3.848 0 50 EHAA COc1cc(OC)c(CN2C[C@H](C)C[C@@H](C)C2)cc1Br 757841 RHMRLBQJBNGYLK-VXGBXAGGSA-N 342.277 3.944 0 50 EHAA CC(C)C(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2 1050812 ONJIEZOSLIJWQG-UHFFFAOYSA-N 331.393 3.610 0 50 EHAA Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)cc1 2868445 LZARSLGPMCXMJY-UHFFFAOYSA-N 334.375 3.770 0 50 EHAA O=C(CSc1nc2ccccc2[nH]1)Nc1cc(Cl)ccc1O 2884861 KKAHWOMOHBLSDS-UHFFFAOYSA-N 333.800 3.653 0 50 EHAA COc1ccc(CN2CCN(c3cc(C)ccc3C)CC2)c(OC)c1 4980548 XZRHUGHYUNQLCD-UHFFFAOYSA-N 340.467 3.643 0 50 EHAA Cc1ccc(N2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 5015307 CSMWANYOSOAEOR-CXUHLZMHSA-N 339.372 3.965 0 50 EHAA COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1OC 6672120 BRXDEKAWMKFEKS-UHFFFAOYSA-N 340.423 3.946 0 50 EHAA COc1ccccc1N1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 6715474 BHYXUZWLKOXWBR-UHFFFAOYSA-N 339.439 3.666 0 50 EHAA O=C(c1csc2nc(-c3cccc(Cl)c3)cn12)N1CCCC1 12317144 IBMZVNFAAYXALC-UHFFFAOYSA-N 331.828 3.952 0 50 EHAA COc1ccc(-c2n[nH]cc2CNCC[C@@H]2C[C@@H]3C=C[C@H]2C3)c(F)c1 12429394 REPIJHGZOSAJBX-QLFBSQMISA-N 341.430 3.916 0 50 EHAA O=C(C[C@H](c1ccccc1)c1cccc(Cl)c1)N1CCC(O)CC1 12587364 UPMAUPTWVKPVOE-LJQANCHMSA-N 343.854 3.845 0 50 EHAA O=C(NCCC1=CCCCC1)c1cn(Cc2ccc(Cl)cc2)nn1 12718616 OZKPXSQIILXSSU-UHFFFAOYSA-N 344.846 3.600 0 50 EHAA COC(=O)c1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 14256637 QIEPZTVADGNURF-UHFFFAOYSA-N 347.436 3.572 0 50 EHAA CCCOc1cccc(C(=O)N2CCN(c3ccccc3C)CC2)c1 16602760 BIQYZFWGHSDSKG-UHFFFAOYSA-N 338.451 3.746 0 50 EHAA CO[C@H](Cn1ccnc1-c1ccc2c(c1)OCCO2)c1cccs1 71682194 GZHZDVTXFRNIJU-MRXNPFEDSA-N 342.420 3.771 0 50 EHAA Cc1cc(C)n([C@H]2CCN(C(=O)c3csc4c3CCCC4)C2)n1 82108618 FUUZZEZLPGCGSV-AWEZNQCLSA-N 329.469 3.527 0 50 EHAA COCCC[C@@]1(C(=O)O)CCCN(Cc2ccc(Cl)c(F)c2)C1 91526109 NLJMQPQDZPBTDK-KRWDZBQOSA-N 343.826 3.573 0 50 EHAA O=C(C[C@H]1CCc2ccccc21)NC1CCN(c2ccccc2)CC1 92037773 JJKHUZMLFPZNEM-GOSISDBHSA-N 334.463 3.892 0 50 EHAA CCn1ccnc1C1CCN(C(=O)Cc2ccc(F)cc2Cl)CC1 95504799 AQKYFWJHBGGUIX-UHFFFAOYSA-N 349.837 3.644 0 50 EHAA CC(C)c1ccc(N2C[C@H](C(=O)N3CCCCCC3)CC2=O)cc1 96685861 NWAQODJKZQUKCO-QGZVFWFLSA-N 328.456 3.566 0 50 EHAA CC(C)c1nc(CN(C)C[C@H]2CCN(Cc3ccccc3)C2)co1 97743238 VQXPOSDMOOQKRE-GOSISDBHSA-N 327.472 3.752 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 153183679 HCRNUFNCUYDPCO-QWQRMKEZSA-N 341.455 3.509 0 50 EHAA Cc1cccc(OC[C@@H](C)NC(=O)c2cccnc2C(F)(F)F)c1 188360039 LYSFQGBWLSLPFA-GFCCVEGCSA-N 338.329 3.606 0 50 EHAA COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CCCc2cccnc21 193896757 DCFIFEBIDBGFSV-MRXNPFEDSA-N 344.842 3.822 0 50 EHAA CC[C@H](NC(=O)N[C@H](C)C[C@@H](O)c1ccccc1)c1nc(C)cs1 229945492 YIFPHKZDDKEBRG-UHOFOFEASA-N 347.484 3.714 0 50 EHAA c1cc(-c2cc(CN3CCCC[C@H]3c3nccs3)on2)ccn1 243914758 BKJRABLOZLKNSG-INIZCTEOSA-N 326.425 3.920 0 50 EHAA COCc1ccc(NC(=O)Nc2cnn(-c3ccccc3)c2C)cc1 252482799 DOBSJOKKBAKIIB-UHFFFAOYSA-N 336.395 3.971 0 50 EHAA Cc1cc(C)c(CN2CC(N3CCCC[C@@H]3C)C2)c(-n2cccn2)c1 252489451 JRGCSROMCADJIA-SFHVURJKSA-N 338.499 3.548 0 50 EHAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1csc(C(C)(C)C)n1 275418530 DNBREZIPNYBBSZ-XJKSGUPXSA-N 348.516 3.524 0 50 EHAA COCCOc1ccc(-c2nc(-c3oc(C)nc3C)cs2)cn1 278266448 OCOLLRQELLFUAV-UHFFFAOYSA-N 331.397 3.502 0 50 EHAA CCc1nc(C)c([C@H](C)N(C)C(=O)c2cnc(C3CC3)nc2)s1 295832575 MSQPJFBZKSWHBJ-NSHDSACASA-N 330.457 3.515 0 50 EHAA O=C(O)C[C@H]1CCCN(C(=O)c2cc(Cl)cc3cccnc23)CC1 299746658 YXOOVDXKKBZGPX-LBPRGKRZSA-N 346.814 3.605 0 50 EHAA CCOc1c(Cl)cccc1NC(=O)N(C)Cc1n[nH]c2c1CCC2 299775878 LKHQMRRWAWMYEW-UHFFFAOYSA-N 348.834 3.614 0 50 EHAA Cc1ccc2snc(C(=O)N[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)c2c1 328809190 AGKOAJYZPXCCRK-LYRGGWFBSA-N 330.453 3.538 0 50 EHAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3ccccc3C(F)(F)F)[C@H]2C1 426412841 YHMCPHVTADMWEU-HYVNUMGLSA-N 343.389 3.864 0 50 EHAA C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)N(C)C1CCCC1 495647364 POIWZKNSMHDMJP-CQSZACIVSA-N 345.443 3.630 0 50 EHAA CCc1nc([C@H](C)NC(=O)c2ccc3c(c2)C(C)(C)CO3)cs1 810383326 ACGKNXVKQYFADO-NSHDSACASA-N 330.453 3.867 0 50 EHAA O=C(COc1c(Cl)cccc1Cl)OC[C@@H]1CCC1(F)F 851314332 YONJVABFXQMSHR-QMMMGPOBSA-N 325.138 3.961 0 50 EHAA C[C@H](CC(=O)N1CC[C@@H]([C@@H]2CCCO2)C1)c1c[nH]c2ccccc12 894703886 IFJISBDIGOMXEL-CLCXKQKWSA-N 326.440 3.689 0 50 EHAA COCCCN(Cc1ccc(OC)cc1)C(=O)c1c(C)cccc1F 952988713 OXDNXFUVJATINF-UHFFFAOYSA-N 345.414 3.822 0 50 EHAA C[C@@H](NC(=O)N(C)Cc1cc(-c2ccncc2)no1)c1ccccc1 1506398753 FVALMSJRHFULMY-CQSZACIVSA-N 336.395 3.639 0 50 EHAA c1ccc(N2CC[C@H](N3CCCN(Cc4cccs4)CC3)C2)cc1 1506403961 QBPHVXVJTROZPW-IBGZPJMESA-N 341.524 3.535 0 50 EHAA CCc1cc(O)ccc1-c1cc(C(C)=O)ccc1N1CCOCC1 1772701601 NCMUBJKLFQDCNS-UHFFFAOYSA-N 325.408 3.661 0 50 EHAA Cc1ccc(OCCCN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)c(C)c1 1775984557 YXLVJOFKJICJPQ-IBGZPJMESA-N 346.515 3.651 0 50 EHAA CC(C)=CC[C@@]1(C(=O)NCc2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2 1857674883 BPWVUJSEKZOFHE-LDQXTDLNSA-N 338.451 3.916 0 50 EHAA C[C@@H](c1ccc2c(c1)OCCCO2)n1ccnc1-c1cnsc1 1857695103 UIUBSQZSCDJSRB-LBPRGKRZSA-N 327.409 3.777 0 50 EHAA OC[C@H](c1ccc(F)cc1)n1ccnc1-c1cccc(O)c1Cl 1857728633 KAGSKABPGUJZQL-CQSZACIVSA-N 332.762 3.630 0 50 EHAA CC(C)(C)c1nc(O)c2c(n1)[C@]1(CCCN(C3CCCC3)C1)CC2 1857728859 PCOLEVCWRCBZJA-HXUWFJFHSA-N 329.488 3.702 0 50 EHAA COc1ccc(C(=O)CCC(=O)Nc2noc3ccc(F)cc23)cc1 1875245233 QMYICSHZTYMKDS-UHFFFAOYSA-N 342.326 3.577 0 50 EHAA C[C@H](Cc1ccc(F)cc1F)NC(=O)c1ccc(-c2cn[nH]c2)cc1 1875333515 ZKNBQCUXNKSEBO-GFCCVEGCSA-N 341.361 3.716 0 50 EHAA O=C(Nc1cccnc1Oc1ccccc1F)c1ccc2c[nH]nc2n1 1940198138 PZGFKGCJBZISAK-UHFFFAOYSA-N 349.325 3.537 0 50 EHAA CC(C)(C)c1nnc(NC(=O)[C@@]2(C)[C@@H]3c4ccccc4C[C@H]32)s1 2325727705 FPMLOVFBADEATC-SNUQEOBHSA-N 327.453 3.750 0 50 EHAA Cc1cc(-c2ccc(CN3CCC[C@H]3C)cc2)cn2c(CO)cnc12 2325858826 BZUNRNVFJGFZLU-MRXNPFEDSA-N 335.451 3.786 0 50 EHAA C[C@H]1CC[C@H](NC(=O)c2ccccc2NC(=O)c2ccncc2)CC1 2325897808 JRBKNNUSVDWYJD-KOMQPUFPSA-N 337.423 3.642 0 50 EHAA Cc1sc2ncnc(N3CCN(C)CC3)c2c1-c1ccc(F)cc1 38125 CZEGICDRDGUTHV-UHFFFAOYSA-N 342.443 3.558 0 50 EHAA Cc1cc(Cl)ccc1OCC(=O)Nc1cccc2nsnc12 104110 YJQLGRADOXNCMK-UHFFFAOYSA-N 333.800 3.671 0 50 EHAA O=C(CCN1CC[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 340372 GZIISXIDAZYOLI-GOSISDBHSA-N 337.419 3.520 0 50 EHAA biogenic,in-man Cc1ccccc1C(=O)NC(=S)Nc1ccc(Br)cc1 452483 BKPLXILBFYATNI-UHFFFAOYSA-N 349.253 3.884 0 50 EHAA Cc1ccnc2c(N3C(=O)[C@H]4CC=C(Cl)C[C@H]4C3=O)cccc12 452816 ZJJOAPCYMNANPF-UONOGXRCSA-N 326.783 3.565 0 50 EHAA Cc1cccc(N2CCN(C(=O)c3ccccc3Cl)CC2)c1C 456362 MJEFMRRFSKXSSS-UHFFFAOYSA-N 328.843 3.919 0 50 EHAA NC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1 513598 BPXQXWGIQRXJQR-UHFFFAOYSA-N 346.386 3.617 0 50 EHAA Nc1c(C(=O)c2ccccc2Cl)cnn1-c1ccc(Cl)cc1 2522151 ALCVFJMFBPXFTL-UHFFFAOYSA-N 332.190 3.992 0 50 EHAA Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 5347566 CCWJIADCBJMKSL-GFCCVEGCSA-N 347.798 3.826 0 50 EHAA O=C(NCc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)no1 6743366 AEACCDMDURPKOY-UHFFFAOYSA-N 347.296 3.685 0 50 EHAA COc1ccc(CCc2nnc(NC(=O)c3cccs3)s2)cc1 9355783 ZOSHNMXVONNSNJ-UHFFFAOYSA-N 345.449 3.646 0 50 EHAA C[C@H](Oc1ccccc1)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 10469417 ODOXWWXSMZADCM-HNAYVOBHSA-N 341.407 3.650 0 50 EHAA C[C@H](CN1CCc2nnc(-c3ccccc3)n2CC1)c1ccccc1 12162305 BPRWQXIAGUKSJM-QGZVFWFLSA-N 332.451 3.607 0 50 EHAA Cn1ccnc1[C@H](O)C1CCN(Cc2csc3ccccc23)CC1 20599671 YRLKUDLYXVNJQT-GOSISDBHSA-N 341.480 3.580 0 50 EHAA CCn1nccc1-c1cc(C(=O)OC)c2c(-c3ccccc3)noc2n1 20615928 XNAIDMYZQIMBLI-UHFFFAOYSA-N 348.362 3.560 0 50 EHAA Cn1nc(C(C)(C)C)cc1-c1nn2c(-c3cccs3)nnc2s1 32089777 ZKWQHFIHEFEWGO-UHFFFAOYSA-N 344.469 3.612 0 50 EHAA Cc1ccc2c(=O)n(CC[C@H]3CCCCN3C3CCCC3)cnc2c1 32547784 IMOHRLNZCRBJTA-GOSISDBHSA-N 339.483 3.892 0 50 EHAA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2)N1 34792435 XGVZWMNWLZHJDM-IAGOWNOFSA-N 340.810 3.598 0 50 EHAA in-vitro CC(=O)Oc1c(C)cc(CN2CCCC[C@@H]2c2nc(C)no2)cc1C 55360954 KVCFGEKZVUZXOF-QGZVFWFLSA-N 343.427 3.647 0 50 EHAA O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccccc3Cl)c12 57531121 DADYPGHRDXEGEP-UHFFFAOYSA-N 340.814 3.629 0 50 EHAA CC(=O)c1[nH]c(C)c(C(=O)N2CCCC[C@H]2c2cccnc2)c1C 65436279 HWECYFXMBZJEMU-INIZCTEOSA-N 325.412 3.597 0 50 EHAA COc1ccc2[nH]c(C(=O)N(CC3CC3)C[C@H]3CCCO3)c(C)c2c1 67757593 HJDJXIUSNKEHTL-MRXNPFEDSA-N 342.439 3.516 0 50 EHAA COc1ccc(-c2nccn2CCCn2ccnc2)c2ccccc12 67805580 JKWVLMPLFMZKTH-UHFFFAOYSA-N 332.407 3.999 0 50 EHAA C[C@H](CC(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)n1ccnc1 77407012 DYZVMFGDZSMHML-CQSZACIVSA-N 347.846 3.558 0 50 EHAA CCn1nc(C(C)C)cc1C(=O)N(C)Cc1cnc2ccccc2c1 91848830 AQOPDFJNZPXICW-UHFFFAOYSA-N 336.439 3.847 0 50 EHAA CCc1nc(C)sc1CNC(=O)c1ccc2nc(C)c(C)nc2c1 95355475 DCXZJXNWPLZWIQ-UHFFFAOYSA-N 340.452 3.504 0 50 EHAA CCCN(CCC)Cc1ccc(-c2nc(-c3cccnn3)no2)cc1 95505519 CEJNFEUUIOWUSU-UHFFFAOYSA-N 337.427 3.816 0 50 EHAA CC(=O)c1cccc(NC(=O)[C@](C)(CC(=O)O)C2CCCCC2)c1 169975467 OLGYTFTZAUMNAF-LJQANCHMSA-N 331.412 3.889 0 50 EHAA c1ccc(Oc2ccc(CNc3ncnc4ncccc34)cn2)cc1 170687999 NILCLGLXKOBTEF-UHFFFAOYSA-N 329.363 3.824 0 50 EHAA O=C(c1cc2cc(F)ccc2s1)N1CCC(c2ccn[nH]2)CC1 172384961 LPFJGJNCBMMIAK-UHFFFAOYSA-N 329.400 3.783 0 50 EHAA NC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)C1 178581545 NFLVAJDJTIQRPE-LBPRGKRZSA-N 332.806 3.567 0 50 EHAA CCC1(CC)CCCN(C(=O)c2ccccc2Cn2cncn2)CC1 188866945 MSZZTDMHQCHXHQ-UHFFFAOYSA-N 340.471 3.759 0 50 EHAA COCc1cc(CN2CC[C@H]2c2cccc(OC)c2)ccc1OC 215562312 GXTOOSPVYZGVJH-IBGZPJMESA-N 327.424 3.797 0 50 EHAA COCCOc1ccc(CNCCc2c[nH]c3cc(C)ccc23)cc1 237207303 BXPKZHJLCRIMHU-UHFFFAOYSA-N 338.451 3.834 0 50 EHAA COc1ccc(F)cc1[C@H](C)NC(=O)c1cnc(O)c2ccccc12 242339362 ZHEYEIPYYBVNGM-NSHDSACASA-N 340.354 3.579 0 50 EHAA C[C@H](Oc1ccc2c(c1)CCCNC2=O)c1ncc(C(C)(C)C)o1 253421430 XREUWRZJRQXSHP-LBPRGKRZSA-N 328.412 3.788 0 50 EHAA CO[C@H]1C[C@@H]2OC[C@@]23C(=CC[C@@H]2[C@H]4CC[C@H](O)[C@]4(C)CC[C@H]23)C1(C)C 253589861 NXOIYSNONWVRLS-HUHRNYIWSA-N 346.511 3.950 0 50 EHAA Cc1ccc(C)n1CCCCCC(=O)Nc1c2c(nn1C)CSC2 263587110 CFEWKIKMMFNQEP-UHFFFAOYSA-N 346.500 3.784 0 50 EHAA c1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccccc3)OC4)n2)cc1 263619357 YIVQJUWRBYJBOJ-GOSISDBHSA-N 344.374 3.872 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 269263436 KAZFBJCDLHBSKX-XCCSTKFXSA-N 341.282 3.683 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C 273091833 FJMQWSSACFVKPR-QANKJYHBSA-N 325.456 3.610 0 50 EHAA Cc1csc(CN(C)C(=O)Nc2cc(C)nn2C2CCCC2)n1 299767171 GUQJXIQKTLCABL-UHFFFAOYSA-N 333.461 3.735 0 50 EHAA CCN(C[C@@H]1CCCCO1)C(=O)c1cc(C)nc2cc(OC)ccc12 299774138 AZLFNVGXCOETKT-INIZCTEOSA-N 342.439 3.583 0 50 EHAA CC1(C)CCc2sc(NC(=O)N3CC(C)(C)[C@@H]3[C@H]3CCCO3)nc21 333618898 ZDINUWKIHZFDCC-RISCZKNCSA-N 349.500 3.788 0 50 EHAA C[C@]1(CNC(=O)c2cc[nH]c2C2CC2)CCCN1Cc1ccccc1 376016034 IVLHIFHXKIFLLQ-OAQYLSRUSA-N 337.467 3.677 0 50 EHAA CCOc1ccc(NC(=O)NC[C@@H]2CCCOC2)cc1C(F)(F)F 426465135 HZBYOUQMHRAODQ-NSHDSACASA-N 346.349 3.652 0 50 EHAA Cc1nc(CNC(=O)N2CCC[C@@H](c3ccccc3C)C2)cs1 426615650 ZTCWTJXNZREFSC-OAHLLOKOSA-N 329.469 3.849 0 50 EHAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1ccc(-c3ccccc3F)o1)CC2 426711968 BXHVSLBYCAAFRL-VOBQZIQPSA-N 345.414 3.590 0 50 EHAA CCCOc1ccc(NC(=O)c2ccn(C(F)F)n2)cc1Cl 678820296 KVUBISZNDQKCNE-UHFFFAOYSA-N 329.734 3.973 0 50 EHAA C[C@H](CNC(=O)OC(C)(C)C)c1noc(-c2coc(C3CCC3)n2)n1 809429299 MEHVCMQIIZUICU-SNVBAGLBSA-N 348.403 3.620 0 50 EHAA C[C@H](NC[C@@H](CCO)c1ccccc1)c1ccc(C(C)(C)O)cc1 863982368 FRULLYQLRDLLND-QFBILLFUSA-N 327.468 3.731 0 50 EHAA CCn1cnc(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c1 902615042 YZHQOJHLFOXMAM-UHFFFAOYSA-N 346.862 3.795 0 50 EHAA COc1cccc(Oc2ccc(NC(=O)c3oc(C)nc3C)cn2)c1 952983326 KDQWKBWOAICCDZ-UHFFFAOYSA-N 339.351 3.740 0 50 EHAA O=C(O)[C@H](c1ccc2sc3ccccc3c2c1)N1CCOCC1 1506399314 MCTXTPKUWQNVGE-KRWDZBQOSA-N 327.405 3.512 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CCc3ccccc3Cl)C[C@H]2C1 1529102051 UUTZXILTOVUOIK-USTZCAOPSA-N 348.918 3.850 0 50 EHAA COc1ccc(Cl)cc1C(=O)N1CCC2(C=C(C)CCO2)CC1 1704299744 SFVARCOGSKEEBA-UHFFFAOYSA-N 335.831 3.690 0 50 EHAA CC(C)(C)c1ccc(CN2CC(=O)N[C@@H](Cc3ccccc3)C2)cc1 1772711055 WCDCHFVOQHLGRT-FQEVSTJZSA-N 336.479 3.527 0 50 EHAA CCSCc1nnc2sc([C@@H](CC)Oc3ccccc3)nn12 1776111099 ZFURBPZDFQYJOT-GFCCVEGCSA-N 334.470 3.969 0 50 EHAA CN(Cc1cc(-c2ccncc2)no1)C(=O)[C@H]1CC[C@@H]2CCC[C@@H]21 1857714233 WSKTYDXNQHHUAU-JQFCIGGWSA-N 325.412 3.521 0 50 EHAA CCOC(=O)[C@@H](C(=O)Nc1nc2ccccc2s1)C1CCCCC1 103192 LLYVLPLESQFJJC-OAHLLOKOSA-N 346.452 3.994 0 50 EHAA Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cl)cc3)ccc12 139412 AYBUPZUVYYVVDC-UHFFFAOYSA-N 343.766 3.772 0 50 EHAA CN(CC(=O)Nc1c2c(nc3c1CCC3)CCCC2)Cc1ccccc1 198630 ZAGQJHYGQSVDCV-UHFFFAOYSA-N 349.478 3.520 0 50 EHAA CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)N[C@@H](C)c1ccccc1 202461 PYZNNZMHRALXDR-GOEBONIOSA-N 329.469 3.842 0 50 EHAA O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCCC1 450537 JJNKBNXPNFSQNK-UHFFFAOYSA-N 332.407 3.560 0 50 EHAA CCOC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 614810 DVEMXRNOYCOSKO-UHFFFAOYSA-N 325.339 3.575 0 50 EHAA CC[C@@H]1C(=O)C[C@H](c2ccccc2)S(=O)(=O)[C@@H]1c1ccccc1 3106183 SKMRUNSHSVHIDZ-BHIYHBOVSA-N 328.433 3.883 0 50 EHAA O=C(CSc1ccccn1)Nc1nc(-c2ccccc2)cs1 3636340 FGWMKZVWOCDORH-UHFFFAOYSA-N 327.434 3.936 0 50 EHAA CCc1ccccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 3908215 ZANHTWYIAJCREI-UHFFFAOYSA-N 336.347 3.885 0 50 EHAA Cc1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)ccc1Cl 6710557 FAQCAUOFXLKICK-UHFFFAOYSA-N 332.806 3.750 0 50 EHAA COc1cccc(F)c1-c1nc(C)c(C(=O)Nc2ccncc2)s1 12322684 KFHIYCGFNDHRCP-UHFFFAOYSA-N 343.383 3.914 0 50 EHAA C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1cccs1 12380718 GDVILELZVTZOJH-SNVBAGLBSA-N 340.242 3.594 0 50 EHAA COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1C 12438587 LGCSMEIUPGPKNJ-OAHLLOKOSA-N 341.407 3.640 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)NCc1ncc[nH]1 12439330 VUWCSDJDQSPIIW-KRWDZBQOSA-N 339.826 3.902 0 50 EHAA CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c(c1)OCCO2 13327656 NEFBLTRPEBFLCK-QGZVFWFLSA-N 341.407 3.871 0 50 EHAA COC(=O)c1ccc(NC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 13746718 WPZAQAMCFNNDOX-AWEZNQCLSA-N 326.396 3.973 0 50 EHAA COc1ccccc1-c1cc2nc(C)cc(NCc3cccnc3)n2n1 15670921 HKOCYRIWULXJIH-UHFFFAOYSA-N 345.406 3.720 0 50 EHAA CN(CCc1ccccn1)C(=O)[C@@H]1CCCc2c1[nH]c1ccccc21 19957225 CUEDVRDRBVPNHB-GOSISDBHSA-N 333.435 3.684 0 50 EHAA CCN(Cc1ccc(C(C)C)cc1)C(=O)c1csc(CN(C)C)n1 55327950 GPFJOMOJLAFJHP-UHFFFAOYSA-N 345.512 3.990 0 50 EHAA COc1ccc([C@@H]2CC(=O)Nc3cc(O)c(C)cc32)c(Cl)c1OC 65387212 TZEKXBVCNWOTOQ-NSHDSACASA-N 347.798 3.845 0 50 EHAA CC[C@H]1CN(C(=O)c2ccc(-c3ccsc3)nc2)CCN1C(C)C 67740268 PBFRKWPZSDNHKY-KRWDZBQOSA-N 343.496 3.755 0 50 EHAA OC[C@]1(CCOc2ccccc2)CCCN(c2ccc(Cl)cn2)C1 67947947 LKAKRZWGQTYBLU-IBGZPJMESA-N 346.858 3.783 0 50 EHAA COc1ccc(-c2nc(CN(C)Cc3cccnc3)c(C)o2)c(F)c1 71747035 SOAHYMPVYMDWTB-UHFFFAOYSA-N 341.386 3.825 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCC2(CCCO2)CC1 71747947 LBKRJQCCGNNCDH-SFHVURJKSA-N 339.435 3.973 0 50 EHAA CSCc1ccc(C(=O)N(C)Cc2cccc(-n3cccn3)c2)o1 77337923 MIFYHIXLVIZIDE-UHFFFAOYSA-N 341.436 3.601 0 50 EHAA CN(Cc1cc(-c2cccnc2)no1)C(=O)c1ccc(Cl)cc1F 82126071 WBLLGGVDNUWNCY-UHFFFAOYSA-N 345.761 3.801 0 50 EHAA OC[C@@]1(CC2CC2)CCCN(Cc2ccccc2OC(F)F)C1 91536660 IGEZMPUYYOVLNF-GOSISDBHSA-N 325.399 3.663 0 50 EHAA CN(Cc1cnc2ccccc2n1)C(=O)c1c[nH]nc1C1CCCCC1 91548522 BJQOYRVOIBODTL-UHFFFAOYSA-N 349.438 3.673 0 50 EHAA CC(C)NC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 91551982 HYBUBNKBXMNVPN-INIZCTEOSA-N 326.444 3.593 0 50 EHAA Cc1ccc(Cn2cc(-c3cccc(Cn4cccn4)c3)nn2)cc1 91757590 HZMSBLHODZUNST-UHFFFAOYSA-N 329.407 3.547 0 50 EHAA COc1cc(Cl)cc(CN2CCC3(CCOCC3)CC2)c1OC 97370308 AWWQBAPTVYGIIA-UHFFFAOYSA-N 339.863 3.750 0 50 EHAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(-c3ccco3)cc1)C2 102694938 MSSBRKRACZSDDB-HWWDLCQESA-N 326.396 3.835 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC(c2ccccc2)CC1 179133288 BNFFSGXBBLTKGV-CQSZACIVSA-N 325.456 3.926 0 50 EHAA O=C1CCc2cc(NC(=O)Nc3ccc(O)c(Cl)c3)c(F)cc2N1 192278022 LMSYCSNWMHXSNA-UHFFFAOYSA-N 349.749 3.713 0 50 EHAA Cc1ccn(C)c(=O)c1NC(=O)c1cc(C(C)C)nc2ccccc12 193171874 WCMGPKKXVQRKKD-UHFFFAOYSA-N 335.407 3.618 0 50 EHAA CCCCc1nc(Cl)c(CN2CCC[C@@H](Cn3ccnc3)C2)[nH]1 215045897 CGAZKTDIQFCGKK-CQSZACIVSA-N 335.883 3.514 0 50 EHAA O=C(Nc1cccc(CC(F)(F)F)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 230101911 NYYJUHNPTIFJHO-ZNMIVQPWSA-N 342.361 3.871 0 50 EHAA O=C(Nc1ccc2ccccc2n1)c1ncccc1Br 252482667 DLVMGCJVEDCNTF-UHFFFAOYSA-N 328.169 3.645 0 50 EHAA Cc1cccnc1[C@H]1CCC[C@H](NCc2ncnn2C(C)(C)C)C1 253397412 XBXOBYOAKIALQH-HOTGVXAUSA-N 327.476 3.553 0 50 EHAA CC(=O)[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 257345651 FGDFFHLIMDMCJI-VWCOGFBRSA-N 334.500 3.566 0 50 EHAA C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccnc2cc(Cl)ccc12 284453714 BVSHYUONDMYZFZ-LZQZEXGQSA-N 346.858 3.645 0 50 EHAA Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](n4cccn4)C3)s2)o1 291155284 IRTNCZDINFCNHK-CYBMUJFWSA-N 327.409 3.600 0 50 EHAA C[C@@]1(CNC(=O)c2cnc3ccccc3c2)OCCc2sccc21 297517736 YFHUJKPRIBCQNZ-IBGZPJMESA-N 338.432 3.514 0 50 EHAA CC(C)(C)SCCNC(=O)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299771594 URZZKAHEONKKMQ-KSZLIROESA-N 346.540 3.860 0 50 EHAA CCN(CC(=O)N[C@@H](c1cccnc1)c1cc2ccccc2o1)C1CC1 368441217 BFSWDXMXZFUQHE-NRFANRHFSA-N 349.434 3.518 0 50 EHAA CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N1CCn2nc(C)nc2C1 375883254 AVELHXYJMRCWIA-NGEICVOHSA-N 344.503 3.561 0 50 EHAA Cc1cc(C(F)(F)F)ncc1NC(=O)N1CCCO[C@@H](C(C)C)C1 455460928 BRLXJXVGHXMURY-CYBMUJFWSA-N 345.365 3.688 0 50 EHAA O=C(COCC(F)(F)F)N1CC2(CCCC2)[C@H]1c1ccccc1 457279900 MYMAZJSCZACCPJ-OAHLLOKOSA-N 327.346 3.709 0 50 EHAA Cc1nc2c(cnn2-c2ccccc2)c(N)c1C(=O)c1ccccc1 616593290 VHBBUUQOULNLCM-UHFFFAOYSA-N 328.375 3.542 0 50 EHAA CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cccc(CC(=O)O)c1 653640772 HEXTUHCDWYCXJE-LJQANCHMSA-N 325.408 3.783 0 50 EHAA COc1ccc([C@H]2CCCN2C(=O)c2nccc3occc23)cc1F 855743161 XJRDGKSZYCOSHT-OAHLLOKOSA-N 340.354 3.953 0 50 EHAA CO[C@@H](C)Cc1nc(-c2nccc3c(Br)cccc23)no1 904187451 ITIUNOYMVCUQOB-VIFPVBQESA-N 348.200 3.625 0 50 EHAA Cc1cc(NC(=O)N2CCC[C@H]2c2ccc(O)cc2)cn2ccnc12 931553536 DSYBSCOFFURMKE-KRWDZBQOSA-N 336.395 3.717 0 50 EHAA Cc1nc(C)c(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)s1 1529114569 PSWHHSBEMJVAPW-DLBZAZTESA-N 342.464 3.752 0 50 EHAA O[C@@H]1CCC[C@]12CCCN(Cc1cccc(OC(F)(F)F)c1)C2 1704299908 NUMNCPCWLSAWNN-HZPDHXFCSA-N 329.362 3.712 0 50 EHAA 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EHAA Cc1nc(N2CCC[C@@H]2c2nc(C(C)C)no2)c2ccsc2n1 63885108 NXLFPOKLGIGKQL-GFCCVEGCSA-N 329.429 3.848 0 50 EHAA COc1ccccc1-c1ccc(N(C)Cc2csc(C)n2)nn1 67974689 QLPQTGCDVQMXCY-UHFFFAOYSA-N 326.425 3.554 0 50 EHAA COc1ccc2cc([C@H]3CN(c4nccs4)CCO3)ccc2c1 71747573 ALERVHDKJMFTBX-QGZVFWFLSA-N 326.421 3.883 0 50 EHAA COc1ccccc1-c1cccc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)c1 71751295 QHVFKUCGNQUKHK-NZXJAIKPSA-N 349.430 3.612 0 50 EHAA COc1ccc(CN(C)C(=O)c2ccc(Cl)cc2F)cc1OC 72117529 LXXGRGYBLUWFHW-UHFFFAOYSA-N 337.778 3.769 0 50 EHAA Cc1ncsc1CN1CCC[C@@H](C(=O)CCc2ccccc2)C1 72144950 BTRGNJVONJAKJI-QGZVFWFLSA-N 328.481 3.865 0 50 EHAA CSCC1CCN(C(=O)c2ccc(CCC(C)(C)O)cc2)CC1 72407984 WRJMNBNMFLKOLT-UHFFFAOYSA-N 335.513 3.605 0 50 EHAA O=C(c1ccc2c(c1)CCO2)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 72434376 ZTJOUQKPOBNTJB-MRXNPFEDSA-N 347.418 3.518 0 50 EHAA CCn1cc(CN2CCC[C@H](COc3cccc(C)c3)C2)c(C)n1 72463164 GTHRSONEBHVHOT-SFHVURJKSA-N 327.472 3.811 0 50 EHAA C[C@H](CO)N(C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 72475115 MYIWPIFYWJSVJZ-MRXNPFEDSA-N 341.499 3.947 0 50 EHAA CCn1c(C)cc(C(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)c1C 82097159 VLXNFCYQDBWAMV-SFHVURJKSA-N 338.451 3.860 0 50 EHAA CCN1CC2(CCC1=O)CCN(C(=O)Nc1cccc(C)c1C)CC2 91893323 ZIIASPMXOXKSRW-UHFFFAOYSA-N 343.471 3.560 0 50 EHAA CCC[C@@H]1CN(C(=O)c2[nH]c3c(C)cc(C)cc3c2C)C[C@H]1N(C)C 95501446 GKXHCJBMGKWEDK-SJLPKXTDSA-N 341.499 3.895 0 50 EHAA Cc1cccc([C@@H](NC(=O)c2cccc(-c3cn[nH]c3)c2)C2CC2)n1 97527284 NPFFECPLJLTUOF-IBGZPJMESA-N 332.407 3.661 0 50 EHAA CCO[C@@H]1C[C@@H](NC(=O)N(C)[C@H](C)c2cccnc2)C12CCCC2 110639523 HDIPDVYUEBKMHI-DJIMGWMZSA-N 331.460 3.522 0 50 EHAA COc1cccc(CO[C@@H](C)C(=O)Nc2ccc(O)c(Cl)c2)c1 111667078 CJLSVGXWUBZUNS-NSHDSACASA-N 335.787 3.598 0 50 EHAA O=C(Nc1nnc(C(F)(F)F)s1)[C@H](c1ccccc1)C1CC1 125974971 RSBGGLBYYHSBMH-SNVBAGLBSA-N 327.331 3.689 0 50 EHAA O=C(Nc1ccc(O)cc1)c1ccnc(SCC(F)(F)F)c1 130847902 XEHYWIVTCNOXCR-UHFFFAOYSA-N 328.315 3.694 0 50 EHAA CN1CCC(NC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)CC1 173381476 MGERZHASEBHXRN-NRFANRHFSA-N 349.478 3.590 0 50 EHAA CN1C(=O)CC[C@@H](C(=O)Nc2ccsc2Cl)[C@H]1c1ccccc1 186974459 SCWTZWXUYZRSFE-IUODEOHRSA-N 348.855 3.950 0 50 EHAA Cc1ccsc1[C@H]1CCN(Cc2cccc3[nH]ccc23)C[C@@H]1O 209849424 DMNQWZDVXQMDND-WMZOPIPTSA-N 326.465 3.888 0 50 EHAA CCN1CCC[C@H]1CNC(=O)Cc1coc2cc(C)c(Cl)cc12 215308876 FQZAYLLIESGHNE-AWEZNQCLSA-N 334.847 3.538 0 50 EHAA Cc1n[nH]c(C)c1CCCN(C)C(=O)c1ccccc1C(F)(F)F 223687978 QAGSCRLMBHUPKJ-UHFFFAOYSA-N 339.361 3.750 0 50 EHAA O=S(=O)(c1ccc(F)cc1)c1cnc2ccc(F)cc2c1Cl 232314139 LPFRCTAWDJMVOW-UHFFFAOYSA-N 339.750 3.999 0 50 EHAA CN(C1CCCCCC1)S(=O)(=O)N1CCC[C@H]2CCCC[C@H]21 242339318 ZGUZRCVNFBUXKZ-NVXWUHKLSA-N 328.522 3.540 0 50 EHAA Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 253370598 SYUCJALZQFKSLM-VVHHDAOASA-N 339.483 3.853 0 50 EHAA Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@H](C)c1cc(F)ccc1F 257365549 NKMNLDTUSDDCFU-CILWKZBWSA-N 349.425 3.744 0 50 EHAA CC(C)(C(=O)Nc1cc([C@H]2CCCOC2)[nH]n1)c1cccc(Cl)c1 279629169 DAIVOMSEHIWGFK-LBPRGKRZSA-N 347.846 3.873 0 50 EHAA O=C(CCN1CCCCCCC1)NCc1cnc2ccccc2c1 299781940 WYTDPTHWAAYOKL-UHFFFAOYSA-N 325.456 3.507 0 50 EHAA COc1cc(NC(=O)c2nc(C)sc2-c2ccccc2)ccn1 344656638 ARNWHOXSXROIFS-UHFFFAOYSA-N 325.393 3.774 0 50 EHAA C[C@@H]1CC(CNC(=O)N[C@H]2CCc3c(Cl)cccc32)C[C@@H](C)O1 408126676 AFAKWTHWTIASEW-QFSBIZTOSA-N 336.863 3.830 0 50 EHAA CCc1nc(C)c(CN[C@@H]2c3ccccc3CC23CCOCC3)o1 428940455 QBYMEMPCKZTHTQ-LJQANCHMSA-N 326.440 3.729 0 50 EHAA C[C@@H]1CC2(CCC2)CN1[C@H](C(=O)O)c1ccccc1Br 659788674 RYSFTWXVSJPPFG-RISCZKNCSA-N 338.245 3.839 0 50 EHAA Cc1oc(-c2cccs2)nc1C(=O)N1CCOC2(CCCCC2)C1 742114675 KCKNSXWUOPPGOV-UHFFFAOYSA-N 346.452 3.887 0 50 EHAA Cc1ccc(S[C@H](C)C(=O)N(C)Cc2cnc3ccccn23)cc1 825181670 PVPXQLSNAVOMQD-OAHLLOKOSA-N 339.464 3.782 0 50 EHAA C[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3Br)no2)CCO1 952992832 DQARRMYMWMODRP-BDAKNGLRSA-N 341.180 3.921 0 50 EHAA CCc1cc(C(=O)N(C)Cc2cccc(O)c2)ccc1Br 1294673781 FSSTVHHZAPEYSG-UHFFFAOYSA-N 348.240 3.989 0 50 EHAA CNC(=O)c1ccc(NC(=O)NCC[C@@H]2CCCC[C@H]2C)c(C)c1 1318617724 YBNKCBKCQOUJKN-HIFRSBDPSA-N 331.460 3.693 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3ccc(OC(F)F)cc3)C[C@H]2C1 1704349284 RUWBESCPPCXVNW-WNKDZCFJSA-N 338.442 3.839 0 50 EHAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)C1(c2ccc(Cl)cc2)CCC1 1857667267 YDHAYSGQLWEMEP-SCTDSRPQSA-N 347.886 3.914 0 50 EHAA C[C@H](C(=O)Nc1cccc(C2SCCS2)c1)c1ncccn1 1875267529 GUOALHALUMTEBS-NSHDSACASA-N 331.466 3.697 0 50 EHAA Fc1cccc2cc(-c3noc(CC[C@H]4CCCCO4)n3)cnc12 1875306975 RQYWXFPNICJOPH-CQSZACIVSA-N 327.359 3.926 0 50 EHAA COc1cncc(CN(C)c2nc(C)cc(Oc3ccccc3)n2)c1 1875333798 LYOKKDWFDLLDGW-UHFFFAOYSA-N 336.395 3.617 0 50 EHAA Cn1cc([C@H]2CCN(C(=O)c3cc4cnccc4o3)C2)c2ccccc21 2325737132 IGZAZAJZNWRCFJ-AWEZNQCLSA-N 345.402 3.949 0 50 EHAA Cc1ccc(-c2ccc(C(=O)N(Cc3cnn(C)c3)C3CC3)s2)o1 2325781074 IOEKDNGYQLTVQM-UHFFFAOYSA-N 341.436 3.855 0 50 EHAA CS[C@H]1C[C@@H](CNC(=O)c2ccncc2Oc2ccc(F)cc2)C1 2325810916 OYMVMTVOLPZBME-JNSHFYNHSA-N 346.427 3.884 0 50 EHAA CC(C)C[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@]1(C)C(=O)O 2325820733 VBYWTJOJAONSKV-UWVAXJGDSA-N 331.456 3.651 0 50 EHAA Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(CC(C)C)s1 74178 GDHGPMIRZHCINK-UHFFFAOYSA-N 342.424 3.952 0 50 EHAA Cc1sc2ncnc(N3CCN(c4ccccc4F)CC3)c2c1C 91829 HBVPGMHROYZUNR-UHFFFAOYSA-N 342.443 3.774 0 50 EHAA O=C1O[C@@H](C(=O)Nc2c(Cl)cccc2Cl)Cc2ccccc21 203366 KZJCPTNYCMQKFW-CYBMUJFWSA-N 336.174 3.714 0 50 EHAA COc1cccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)c1 428149 TYGSKXBMQAQUMK-UHFFFAOYSA-N 337.379 3.625 0 50 EHAA O=CN1CCn2c3c(c(=O)c4cc(C5CCCCC5)ccc42)CC[C@H]31 446023 VUKBWFIIJBPOAK-LJQANCHMSA-N 336.435 3.509 0 50 EHAA biogenic CCc1cccc(C)c1NC(=O)CSCC(=O)Nc1ccccc1 528480 ZTXKRJPBRQZBMO-UHFFFAOYSA-N 342.464 3.868 0 50 EHAA Cc1nn(C)c(C)c1CN(C)C(=S)Nc1ccc(F)c(Cl)c1 609816 GZYWZPFLUNOBBT-UHFFFAOYSA-N 340.855 3.658 0 50 EHAA COc1ccc(NC(=O)N2CCN(c3ccc(C)cc3)[C@H](C)C2)cc1 611920 IQYASNMIIPDFDR-MRXNPFEDSA-N 339.439 3.746 0 50 EHAA Cc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)n2)cc1 996318 XSFUUEIBDYMQJY-KGLIPLIRSA-N 342.420 3.724 0 50 EHAA COc1cc2c(c(OC)c1OC)[C@H](c1ccccc1Cl)CC(=O)N2 1058871 LTEUUEHJZLSHQP-NSHDSACASA-N 347.798 3.840 0 50 EHAA O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2c(Cl)cccc12 2526083 BACYTQQAAZNBGD-UHFFFAOYSA-N 327.723 3.982 0 50 EHAA COc1cccc(-c2noc(C(=O)NC3CCCCCCC3)n2)c1 4770920 GSPGEKYDISUJSA-UHFFFAOYSA-N 329.400 3.588 0 50 EHAA CC(C)OC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)O 5002937 OSMMTMKDUSZPCL-WZOJCFFYSA-N 336.387 3.546 0 50 EHAA biogenic Cc1csc(SCC(=O)N[C@@H](C)c2ccc(F)cc2F)n1 7195727 IXXFYAAYTCCEHE-VIFPVBQESA-N 328.409 3.699 0 50 EHAA CCOCc1nnc(NC(=O)c2ccccc2SC(C)C)s1 12865262 XBOABOCODIAQSH-UHFFFAOYSA-N 337.470 3.827 0 50 EHAA CCn1nc(C)c(CN2CC[C@H](C3CCN(CC(C)C)CC3)C2)c1C 15069244 KPHAEXZKMMCYLT-FQEVSTJZSA-N 346.563 3.710 0 50 EHAA Cc1ccccc1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 16603333 FCJWRMVVIKHHKW-UHFFFAOYSA-N 328.843 3.606 0 50 EHAA O=C(Nc1cccc2ccccc12)[C@@H](c1ccccc1)N1CCOCC1 20310940 LAVNOMGJGSFDRP-OAQYLSRUSA-N 346.430 3.852 0 50 EHAA Cc1ccccc1[C@H](CC(=O)NCc1cnn(C)c1C)c1ccccc1 39455625 SOAKJQFWPRHKKX-OAQYLSRUSA-N 347.462 3.875 0 50 EHAA C=C[C@@](C)(CO)C[C@@H](OCOC)[C@]1(C)C2=C(CCC2=O)CC[C@@H]1C 43762545 BFZGQDFVOSRBKZ-XFHUWUJUSA-N 336.472 3.646 0 50 EHAA COc1ccc(F)cc1-c1nc2c(cnn2Cc2cccs2)[nH]1 48284529 MGYYOLYBCFAORM-UHFFFAOYSA-N 328.372 3.684 0 50 EHAA CCOc1ccc(C(=O)Nc2cc(C)nn2Cc2cccc(C)c2)o1 55108730 KASWMOXMYKPDFN-UHFFFAOYSA-N 339.395 3.792 0 50 EHAA CC[C@H]1C(=O)NCCN1Cc1nc(-c2cccc3ccccc23)oc1C 55343915 SBDWUKVQPRCEHB-IBGZPJMESA-N 349.434 3.514 0 50 EHAA O=C(Nc1nncs1)c1ccc(CN2CCCCCCCC2)cc1 65529213 DCFKPXPKYGIQBM-UHFFFAOYSA-N 344.484 3.947 0 50 EHAA CC(C)[C@H]1C=CCN1C(=O)c1cc(COc2ccc(F)c(F)c2)on1 67758621 GKAKLPXAXFAMSO-QGZVFWFLSA-N 348.349 3.568 0 50 EHAA CC(=O)c1c(C)cc(C)c(CN2CCO[C@H](C(F)(F)F)C2)c1C 71589782 JJHMWAHYGOCDES-HNNXBMFYSA-N 329.362 3.578 0 50 EHAA CN(Cc1ccc(-c2ccccc2Cl)o1)CC1(CO)CCOCC1 72161023 UXVWUJTTZABENO-UHFFFAOYSA-N 349.858 3.821 0 50 EHAA COc1cccc(CC[C@H]2CCCN(C(=O)NCc3ccco3)C2)c1 72411227 DKOCCSZUKHWWDZ-QGZVFWFLSA-N 342.439 3.843 0 50 EHAA CCCN(C(=O)c1cccc(CCC(C)(C)O)c1)[C@@H]1CCCC[C@H]1O 72412251 FWTGCIRFQKPKMP-RTBURBONSA-N 347.499 3.546 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(SC)cc2)C1 91678362 UKTVUNRLUYXXGU-MRXNPFEDSA-N 343.496 3.574 0 50 EHAA Cc1cc(NC(=O)NCC2(Cn3cccn3)CC2)c(Cl)cc1F 95508729 BBVMOUKEOJCPPB-UHFFFAOYSA-N 336.798 3.586 0 50 EHAA CO[C@@H]1CCN(C(=O)Nc2ccccc2OCc2ccccc2)C1 96149640 ITVUUDSTNBSGIN-MRXNPFEDSA-N 326.396 3.518 0 50 EHAA CC(C)(C)OC(=O)N1CCc2ccc(Br)cc2CC1 115697337 UICPNVVRZYJXAM-UHFFFAOYSA-N 326.234 3.785 0 50 EHAA Cc1cc(C)n(-c2ccc(NC(=O)N3CCS[C@H](C)C3)cc2F)n1 171376021 UPOJRDHWTFAZDM-CYBMUJFWSA-N 348.447 3.597 0 50 EHAA C[C@@H](NC(=O)N[C@H]1CCCOCC1)c1ccc(OC(F)(F)F)cc1 183469857 BUBBZBQUWBXTND-YPMHNXCESA-N 346.349 3.515 0 50 EHAA CC[C@H](Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)C(=O)OC 192838223 BHUVWUVZOOOYBG-LBPRGKRZSA-N 336.775 3.549 0 50 EHAA CC[C@H](C(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1ccc(OC)cc1 195154434 MPZNDLGIVXDJMK-DLBZAZTESA-N 327.428 3.666 0 50 EHAA C[C@H](NC(=O)N1CC[C@@H]([C@H](C)O)C1)c1ccc(-c2ccccc2)cc1 222280040 LQYQFTOIQFYJMC-TWOQFEAHSA-N 338.451 3.827 0 50 EHAA Cc1nc(CN2C[C@@H](O)C[C@H]2c2ccccc2C(F)(F)F)oc1C 225398275 UOXOTXYDTHHZFR-WFASDCNBSA-N 340.345 3.618 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1 239121263 JOUDMHUROGPLSM-JTNSGFRCSA-N 342.609 3.958 0 50 EHAA CCc1noc(C2CCC(NCCc3cccc4[nH]ccc34)CC2)n1 241588254 PBHSPERRKJKAGE-UHFFFAOYSA-N 338.455 3.972 0 50 EHAA Cc1nnc(N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)o1 241774195 RNVDXFSLRZWNCP-LLVKDONJSA-N 340.358 3.943 0 50 EHAA CCN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)[C@H]1CCCC[C@H]1C 245405131 RTICUYDIBSQRIY-KMFMINBZSA-N 346.496 3.917 0 50 EHAA Cc1c(Cl)cccc1NC(=O)CCN(C)CCC1CCOCC1 252490603 KXQLBYTWOJIRMM-UHFFFAOYSA-N 338.879 3.726 0 50 EHAA Cc1cc(N2CCC[C@@H](c3nccs3)C2)nc(-c2cccnc2)n1 253420071 RHQLGGBHGNCYOM-OAHLLOKOSA-N 337.452 3.688 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)CCc3ccc([C@H]4C[C@H]4C)o3)C2)c1 253599479 LQNUXVALCNYWCV-NUJGCVRESA-N 341.455 3.704 0 50 EHAA COc1ccc(CN[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 255190728 ZAJCBMWRGOOQEI-WKILWMFISA-N 334.460 3.621 0 50 EHAA CCOc1cccc(CN(Cc2ccccn2)[C@@H]2CCCNCC2)c1 275546485 DWOCZHZNLGHCIY-HXUWFJFHSA-N 339.483 3.625 0 50 EHAA CC[C@@H](C)[C@@H](NC(=O)c1ccncc1Br)C(F)(F)F 277555761 JUNHFBCBPGEZSR-GMSGAONNSA-N 339.155 3.551 0 50 EHAA CO[C@H]1CCC[C@H](CC(=O)Nc2ccccc2-n2nccc2C)C1 281590390 NERLBVZUOVJPKM-HOTGVXAUSA-N 327.428 3.715 0 50 EHAA COc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCOC3)cc2)cc1 299758473 NOGXNXFHOBDOQM-AWEZNQCLSA-N 342.395 3.646 0 50 EHAA CCc1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)cc(O)n1 299777436 NURIQJTYNCXASC-KSSFIOAISA-N 342.414 3.630 0 50 EHAA O=C(NC[C@H](c1ccccc1)N1CCCCCC1)Nc1cccnc1 299784090 IPKKISBILPNUSJ-LJQANCHMSA-N 338.455 3.820 0 50 EHAA CC(=O)N1CCO[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 372134313 PNUXYCASIGCPOC-GFCCVEGCSA-N 341.251 3.644 0 50 EHAA O=C(NC[C@H]1CCCOC1)c1cccc(-c2ccc3c(c2)CCC3=O)c1 426691348 VHSKRUZZZXKOPC-OAHLLOKOSA-N 349.430 3.639 0 50 EHAA CC(C)(Br)C(=O)Nc1ccc(C(F)(F)F)cc1O 669385257 UVYRZPSEYUVVDR-UHFFFAOYSA-N 326.112 3.523 0 50 EHAA CC(C)Cc1cc(CNC(=O)CCCc2c[nH]c3ccccc23)on1 821483315 DJHVKIJMZAGKNW-UHFFFAOYSA-N 339.439 3.994 0 50 EHAA Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cnn2c1CCCC2 870693553 LUEAGURPQPPCBJ-UHFFFAOYSA-N 340.358 3.574 0 50 EHAA Cc1ccc(C(=O)Nc2cnn([C@H]3CCCCO3)c2)c(C(C)C)n1 912563091 UJDSHIXEWKFRHJ-MRXNPFEDSA-N 328.416 3.661 0 50 EHAA Cc1cccc(OC2CN(C(=O)[C@H](C)Oc3cccc(Cl)c3)C2)c1 952970363 IFYXATUJKRCQDA-AWEZNQCLSA-N 345.826 3.706 0 50 EHAA CCn1nccc1C(=O)Nc1cccc(NC(=O)C2CCCC2)c1C 952982809 MPLDVJPNVSERFJ-UHFFFAOYSA-N 340.427 3.592 0 50 EHAA C[C@]1(O)CCOC2(CCN(Cc3ccccc3C(F)(F)F)CC2)C1 1704312993 KGNLMUJLGBAXDW-INIZCTEOSA-N 343.389 3.601 0 50 EHAA COc1ccc(OC)c(-c2nc(O)c3c4c(sc3n2)CCC4)c1 1772491194 HAJRAMALMDGYAH-UHFFFAOYSA-N 328.393 3.570 0 50 EHAA C[C@H](C(=O)N(C)c1ccccc1)[S@](=O)CC=Cc1ccccc1 1857533330 WWDZHQMKCMFATR-WAIKUNEKSA-N 327.449 3.500 0 50 EHAA CCCC[C@@H]1CN(C(=O)CSc2ccccn2)C[C@H](C(C)C)O1 1857719519 OMWKPGIOQPNKPZ-HZPDHXFCSA-N 336.501 3.616 0 50 EHAA Oc1ccc(Cl)cc1-c1cc2c(s1)C1(CCNCC1)OCC2 1857738875 CENYRRASBLQMTG-UHFFFAOYSA-N 335.856 3.926 0 50 EHAA Cc1cc(C(=O)OCc2csc([C@H]3CCCO3)n2)c2n[nH]cc2c1 2325744003 HSGWIFLGRLVVDS-CQSZACIVSA-N 343.408 3.536 0 50 EHAA Fc1cc2nc(CN(CCc3ccccn3)C3CCC3)[nH]c2cc1F 2325778613 GMVITYJKULZCAI-UHFFFAOYSA-N 342.393 3.833 0 50 EHAA CCc1cccc(N[C@H]2CCN(Cc3cn4cccc(F)c4n3)C2)c1 2325857498 DMMUBVXYRUCEGW-KRWDZBQOSA-N 338.430 3.722 0 50 EHAA Cc1cc2cc(CNCc3cc(-c4ccncc4)n[nH]3)ccc2n1C 2325860088 WZDLASJODXKUKF-UHFFFAOYSA-N 331.423 3.562 0 50 EHAA Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCc3ccccc3C2)c1 350500 GBBGYHUYRLONBJ-FQEVSTJZSA-N 339.479 3.916 0 50 EHAA CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2Cl)cc1 461138 RONYEZANTJUASC-UHFFFAOYSA-N 345.782 3.728 0 50 EHAA CCOc1ccc2nc(NS(=O)(=O)c3ccc(C)cc3)sc2c1 461418 YQGOZXKEYZZVKC-UHFFFAOYSA-N 348.449 3.804 0 50 EHAA Cc1cccc(COc2ccc(/C=C3/SC(=O)NC3=O)cc2)c1 1159519 HDZLFNGMWFQWEO-MHWRWJLKSA-N 325.389 3.898 0 50 EHAA Cc1nn(C(=O)c2cccs2)c(C)c1NC(=O)c1cccs1 1426275 DVPRXAIIFVMKSK-UHFFFAOYSA-N 331.422 3.564 0 50 EHAA O=C(NCCOC(=O)c1ccccc1Cl)c1ccccc1Cl 2753424 NAGPRPMVCHUMIN-UHFFFAOYSA-N 338.190 3.580 0 50 EHAA CC[C@@H](C)NCCOCCOc1ccc(C)cc1Br 2824217 XZORRJGRPUBUJO-CYBMUJFWSA-N 330.266 3.541 0 50 EHAA Cc1c(Br)cc(C(=O)OC2CCN(C)CC2)c(C)c1C 4278500 BCEAOWDUQRYWIV-UHFFFAOYSA-N 340.261 3.625 0 50 EHAA CC(=O)c1ccc(N2CCN([C@H]3CCc4ccccc4C3)CC2)cc1 4981269 OJZWUNOAAUOPSP-QFIPXVFZSA-N 334.463 3.569 0 50 EHAA Cc1ccc2oc(C(=O)NC[C@@H]3COc4ccccc4O3)c(C)c2c1 11838301 CINBHAYPQXSMDU-CQSZACIVSA-N 337.375 3.619 0 50 EHAA COCC[C@@H]1CCCCN1Cc1nc(-c2cccc(Cl)c2)no1 12588277 GWESYNIWBKCHQE-HNNXBMFYSA-N 335.835 3.781 0 50 EHAA CCc1c(C)sc2[nH]c(=S)n(-c3c(C)nn(CC)c3C)c(=O)c12 17072451 SOIRLVVUJMWSJV-UHFFFAOYSA-N 348.497 3.814 0 50 EHAA CCC[C@@H](C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccccc1 18153258 DCIRBJLVXMMCBR-ABAIWWIYSA-N 331.441 3.962 0 50 EHAA O=C(c1ccccc1)N1CCN(Cc2ccc3ccccc3c2)CC1 19831841 CGRSUMUKRDOGIJ-UHFFFAOYSA-N 330.431 3.798 0 50 EHAA Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2Cl)c1 20402372 ILBVHWANTXKZOG-KRWDZBQOSA-N 342.826 3.892 0 50 EHAA Cc1n[nH]c2c1[C@H](c1ccccc1C(F)(F)F)SCC(=O)N2 20898779 DOVHYFNZOOLXNS-LBPRGKRZSA-N 327.331 3.512 0 50 EHAA CCc1c(-c2nc(-c3c(C)ncc4c3CCNC4)no2)csc1C 20999518 PINZZSSFKDAGPA-UHFFFAOYSA-N 340.452 3.685 0 50 EHAA CCSCCn1ccc(-c2cccc(-c3ccc(OC)nn3)c2)n1 23250285 BNMPKTGIZNWFIF-UHFFFAOYSA-N 340.452 3.769 0 50 EHAA Cc1c(Cl)cccc1NC(=O)c1cn2c3c(cccc3c1=O)CC2 33088746 DEGNUDIVZUOUJT-UHFFFAOYSA-N 338.794 3.772 0 50 EHAA Cc1ccc(-c2cccc(CN3CCN(C(C)C)[C@H](CCO)C3)c2)o1 38149494 LLFDUKIGWXTYIT-HXUWFJFHSA-N 342.483 3.532 0 50 EHAA Ic1cnccc1Oc1cnc2ccoc2c1 39961376 NMSOBOMQTMZXNE-UHFFFAOYSA-N 338.104 3.620 0 50 EHAA in-vitro CO[C@@H](C(=O)Nc1cc2c(C)cc(=O)oc2cc1C)c1ccccc1 55042703 NJYAKMCDDQYNAO-LJQANCHMSA-N 337.375 3.736 0 50 EHAA CC[C@@H](C)c1ccccc1OCC(=O)N1CCC(N2CCCC2)CC1 55119289 PSCFPHSUQYMRID-QGZVFWFLSA-N 344.499 3.666 0 50 EHAA COc1ccccc1CN(C(=O)Cc1ccc(O)c(Cl)c1)C1CC1 55225258 NGKZHZKYHATJDR-UHFFFAOYSA-N 345.826 3.788 0 50 EHAA Cc1ccc2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnn(C)c3)nc2c1 65407351 KBGSBLSFSQPAES-AWEZNQCLSA-N 334.423 3.568 0 50 EHAA CCc1noc([C@H](C)N[C@@H](C)Cc2cccc(C(F)(F)F)c2)n1 65430535 VRDNJKFUJRCKEC-QWRGUYRKSA-N 327.350 3.933 0 50 EHAA COc1ccc(Cn2ccnc2-c2cnc(-c3ccco3)nc2)cc1 67965921 ZGLRLKDCQLCCBF-UHFFFAOYSA-N 332.363 3.657 0 50 EHAA Cc1ncsc1CCC(=O)N1CCC[C@H]1c1cc(C(C)C)on1 82116206 MYULMAWNJKCLDT-AWEZNQCLSA-N 333.457 3.859 0 50 EHAA CN(Cc1noc2c1CCCC2)C(=O)c1cc2c(s1)CCCC2 91726143 FPFKJZPXWZJFOA-UHFFFAOYSA-N 330.453 3.766 0 50 EHAA O=C(N[C@@H]1CCCc2nc(-c3ccccc3)ncc21)c1ccccc1O 91829556 QOWWVIQECZJNKK-GOSISDBHSA-N 345.402 3.657 0 50 EHAA COc1cccc(CN[C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c1 158649710 JJOFSLIMWPDPQC-CYBMUJFWSA-N 340.402 3.574 0 50 EHAA Cc1ccc2c(c1)SCCCN2Cc1cc(=O)n2ccsc2n1 170601229 DGOUGRJHCJTZLW-UHFFFAOYSA-N 343.477 3.567 0 50 EHAA CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccc2cn[nH]c2c1 170610333 ZRLHVMLTXCBVFC-SFHVURJKSA-N 339.414 3.628 0 50 EHAA Cn1c(=O)oc2ccc(NC(=O)C[C@@H]3CCCc4ccccc43)cc21 170991428 HQOQCKFZRHFQFB-AWEZNQCLSA-N 336.391 3.580 0 50 EHAA COc1ccccc1[C@@H](CC(C)C)NC(=O)c1ncncc1Cl 177689259 REROPFZTQXGJIQ-CQSZACIVSA-N 333.819 3.656 0 50 EHAA Cc1nnc(CN2CCC(c3ccccc3Br)CC2)o1 189814329 RODHYXOXORSXSM-UHFFFAOYSA-N 336.233 3.520 0 50 EHAA C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1nncn1C1CCCC1 219322553 HNVAHGSAALJBMI-OAHLLOKOSA-N 348.450 3.966 0 50 EHAA O=C(c1ncc(F)cc1F)N1CCCC[C@@H]1CCc1cccc(O)c1 220704544 CBQSMMJYUCWZKY-OAHLLOKOSA-N 346.377 3.693 0 50 EHAA O=C(CCSCc1ccccc1)N1CCC[C@H](c2ccncn2)C1 221223502 XLKDRGXXYMADJS-KRWDZBQOSA-N 341.480 3.506 0 50 EHAA Cc1ccc(S[C@H](C)C(=O)NCc2ncc(C)c(O)c2C)cc1 223341194 MANVLBPMQREPNV-CQSZACIVSA-N 330.453 3.509 0 50 EHAA O=C(CCc1c[nH]c2ccccc12)NCCc1nc2ccccc2o1 223708429 CYZSGWBKMWYXNA-UHFFFAOYSA-N 333.391 3.601 0 50 EHAA C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)N[C@@H]1CCCC[C@H]1C 241126045 JJCUFNBOHSOTNF-MBNYWOFBSA-N 346.452 3.537 0 50 EHAA Cc1noc(-c2ccc(C(=O)N3[C@H](C)C[C@@H]4CCCC[C@H]43)cc2)n1 246360705 LGORXWONEZGPON-OAUYIBNBSA-N 325.412 3.838 0 50 EHAA C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1csc(-c2ccncc2)n1 252537778 MHTCPONULSBMCD-MEDUHNTESA-N 337.404 3.708 0 50 EHAA CO[C@@H](C)c1nsc(N2CCC[C@@H]2CC(=O)c2ccc(F)cc2)n1 253398610 XSZQJEPBJMKLCC-SMDDNHRTSA-N 349.431 3.626 0 50 EHAA COc1cccc(F)c1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 266862966 VFARWTYDBFDQOK-OAHLLOKOSA-N 345.370 3.644 0 50 EHAA Fc1ccc([C@H]2C[C@H](NCC3=CCCOC3)C2)cc1Br 281716856 QKQYRXDSCBAITH-HDJSIYSDSA-N 340.236 3.771 0 50 EHAA CC[C@@H](O)CN(Cc1ccccc1)C(=O)C1CCC(F)(F)CC1 305660075 GARJSVSNDJUVBQ-MRXNPFEDSA-N 325.399 3.612 0 50 EHAA Cc1csc([C@H](C)Nc2nccn3nc(C(F)(F)F)cc23)n1 319099026 DSGVOXGZNVPPCT-QMMMGPOBSA-N 327.335 3.686 0 50 EHAA CC1(C)CCc2cc(CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(=N)O)ccc2O1 329953397 NFQZJRAYQOEHMJ-XYJFISCASA-N 328.456 3.926 0 50 EHAA CCc1noc(C)c1C(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21 331727768 OHDPVPAJEPZXNI-INIZCTEOSA-N 338.329 3.679 0 50 EHAA O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCc2ccc(O)cc2C1 332157204 UNVNZOVEKGGLCD-HNNXBMFYSA-N 342.361 3.581 0 50 EHAA CC(C)[C@@H]1N(C(=O)Cc2c[nH]c3cc(F)ccc23)CC12CCOCC2 412758255 RWXXSJRZLAAUHK-IBGZPJMESA-N 344.430 3.513 0 50 EHAA COc1cc(C)ccc1NC(=O)N1CCC(OC)(C(F)(F)F)CC1 416767313 MIIWZJZXKVXYNC-UHFFFAOYSA-N 346.349 3.579 0 50 EHAA CC(C)[C@](C)(O)CNCc1cn(C2CCCC2)nc1-c1ccccn1 459420498 XWGOPKINHCQYPI-HXUWFJFHSA-N 342.487 3.557 0 50 EHAA Cn1nc(C(=O)Nc2cccc(CN3CCCCC3)c2)c2ccccc21 527921315 WIBLLPGBXLFFSY-UHFFFAOYSA-N 348.450 3.812 0 50 EHAA c1ccc2c(c1)CCC[C@H](NC1CCN(c3nccs3)CC1)C2 648566874 LLLCUATWAOPAJT-SFHVURJKSA-N 327.497 3.649 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)Nc1ccc(CC(=O)NC2CC2)cc1 827807456 XPMSBSLJUWSESF-KRWDZBQOSA-N 348.446 3.566 0 50 EHAA CCC[C@H]1C[C@@H](c2nc(COc3ccc(Cl)nc3)no2)CCO1 864096536 DBWIMGMJALOUTE-RYUDHWBXSA-N 337.807 3.760 0 50 EHAA CC(C)(C)n1nccc1NC(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F 930926452 KGJVVEXCRXEHFK-UKRRQHHQSA-N 348.397 3.809 0 50 EHAA FC(F)(F)c1ccc(N2CCC[C@H](OCc3ccccn3)C2)nc1 1506409562 RNRXGWHHRXELKH-HNNXBMFYSA-N 337.345 3.681 0 50 EHAA Cc1cc([C@H]2CCCN(C(=O)c3c(O)ccc4ccccc34)C2)n[nH]1 1775987806 OSXLKPMMRYHZPT-HNNXBMFYSA-N 335.407 3.597 0 50 EHAA CN1C[C@@H](n2ccnc2-c2ccc3c(c2)Cc2ccccc2-3)CC1=O 1857678396 FPZCBUPRAABEOP-KRWDZBQOSA-N 329.403 3.525 0 50 EHAA COc1cc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)ccc1F 1857727483 UCZVIJUUOVHNSK-HNNXBMFYSA-N 346.402 3.599 0 50 EHAA CC1(F)CC(NC(=O)c2cc3cccc(C(F)(F)F)c3nc2O)C1 1875270066 KYINVAXNPNOBTA-UHFFFAOYSA-N 342.292 3.580 0 50 EHAA O=C(Nc1nc2c(F)cccc2s1)N1CC[C@H]2[C@H](C1)C2(F)F 1875277447 MAIGICUIMATIEZ-YUMQZZPRSA-N 327.331 3.554 0 50 EHAA CC1(C)CN(C(=O)c2csc(-c3ccsc3)n2)Cc2c[nH]nc21 1875285960 IMXDYMFPXUGFIU-UHFFFAOYSA-N 344.465 3.528 0 50 EHAA COc1cccc([C@H](CF)NC(=O)c2ccc3scnc3c2)c1 2325817372 OFLMVAATPVVVTN-HNNXBMFYSA-N 330.384 3.746 0 50 EHAA CC(C)OC(=O)C1[C@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 83590 JPDDMZAETFWSGR-YYZRRKBYSA-N 338.403 3.836 0 50 EHAA CCSc1nnc2c(n1)O[C@H](c1ccncc1)Nc1ccccc1-2 86168 VCRLKNPEJOFQKG-OAHLLOKOSA-N 337.408 3.549 0 50 EHAA COC(=O)c1cccc(NC(=O)COc2ccccc2C(C)C)c1 133474 ZVGVGRTVGXYGFK-UHFFFAOYSA-N 327.380 3.614 0 50 EHAA Cn1nc(C(F)(F)F)c(CO)c1SCc1ccc(Cl)cc1 169414 YIYBNVKXVKIVGK-UHFFFAOYSA-N 336.766 3.877 0 50 EHAA CCOc1cc(C(=O)Nc2cccc(C)n2)cc(OCC)c1OCC 171022 FFOOFAJIGHOUAY-UHFFFAOYSA-N 344.411 3.838 0 50 EHAA Cc1cccc(N2CCN(C(=O)/C=C/c3cccs3)CC2)c1C 376445 BPIBHUDJOKNCCN-CMDGGOBGSA-N 326.465 3.727 0 50 EHAA Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)C(=O)N(C)c2ccccc21 565215 ZRRFSBBGPRHVNK-OAQYLSRUSA-N 337.419 3.555 0 50 EHAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(C(F)(F)F)cc1)OC2=O 1432739 UWMXNKFZIUAZFS-CVEARBPZSA-N 341.329 3.766 0 50 EHAA CN1C(=O)CCN=C(c2ccccc2)c2cc(Br)ccc21 1514116 XKCRTKWJYJNOOD-UHFFFAOYSA-N 343.224 3.653 0 50 EHAA O=C(O)COc1ccccc1[C@@H]1CC(=O)Nc2ccc3ccccc3c21 2886487 LCMAXLRPWMKKOM-INIZCTEOSA-N 347.370 3.777 0 50 EHAA CN(Cc1ccccc1)C(=O)CCC1CCN([C@H]2CCSC2)CC1 12072337 QLKALBUKKOZJDM-IBGZPJMESA-N 346.540 3.643 0 50 EHAA C[C@H](NC(=O)C(C)(C)Oc1cc(Cl)ccc1Cl)[C@H]1CCCO1 12383224 AQUSPUMZQCMORO-GXFFZTMASA-N 346.254 3.835 0 50 EHAA CCNC(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc24)CC3)C1 12464828 CQSJVNXSIBVIES-MRXNPFEDSA-N 336.435 3.563 0 50 EHAA Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)[C@@H]2CC=CCC2)C3)nc1 12509482 ZHAKVTRJLUBCES-SJLPKXTDSA-N 348.446 3.833 0 50 EHAA FC(F)Oc1ccccc1NC(=S)Nc1ccc2c(c1)OCO2 17070970 DXWXZVHMVRDVBW-UHFFFAOYSA-N 338.335 3.826 0 50 EHAA CCc1[nH]c([C@@H]2CC(=O)N(Cc3ccccn3)C2)nc1-c1ccccc1 19794983 VHXHXOGSIRFFSE-MRXNPFEDSA-N 346.434 3.550 0 50 EHAA COc1ccc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1 22078079 CAHAGPDOCYDWTG-UHFFFAOYSA-N 340.511 3.638 0 50 EHAA COc1ccc(-c2nnc(-c3ccc(F)cc3)o2)c(OC)c1OC 23279678 ZUIYPDXCLRVNNC-UHFFFAOYSA-N 330.315 3.569 0 50 EHAA O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccc(F)c1 44892010 IMVYXIUFYALEKB-INIZCTEOSA-N 325.343 3.806 0 50 EHAA CCN(CCN1CCCC1)C(=O)c1cccc(-c2ccc(O)cc2)c1 55226856 PLNNLLHJVOERCJ-UHFFFAOYSA-N 338.451 3.617 0 50 EHAA CC(C)[C@H]1CN(c2ccnc3ccccc23)CCC(=O)N1CC1CC1 71775745 RLLVKSLZBPZHTG-HXUWFJFHSA-N 337.467 3.708 0 50 EHAA Cc1ccc(C2(C(=O)N3CC[C@@H](c4ccccc4C(=O)O)C3)CC2)cc1 72129111 NZJJOIDUZWPSOO-MRXNPFEDSA-N 349.430 3.741 0 50 EHAA COc1ccc(F)cc1CN1CC[C@@H](c2ccccc2C(=O)O)C1 72164002 OWRDWSBGLLIMHJ-CYBMUJFWSA-N 329.371 3.522 0 50 EHAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3C(F)(F)F)cc2)n1 77452375 BEPKTOZZMUIVHP-HNNXBMFYSA-N 337.345 3.656 0 50 EHAA CCCCn1nc(-c2csc(C)n2)nc1CCc1cccnc1 95378142 UBGQBBGDVFDSGB-UHFFFAOYSA-N 327.457 3.690 0 50 EHAA CC(C)Cc1cc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)[nH]n1 97696286 YDPCWONCUQGNAB-UHFFFAOYSA-N 335.451 3.809 0 50 EHAA CSc1cccc(N(C(=O)c2cscn2)C2CCN(C)CC2)c1 112247585 HQLDZASZSDSVQI-UHFFFAOYSA-N 347.509 3.606 0 50 EHAA C[C@@H](CO[C@@H]1CCOC1)Nc1nc2cc(C(F)(F)F)ccc2s1 133815691 KWWQLCZBOUKHJR-GXSJLCMTSA-N 346.374 3.921 0 50 EHAA N[C@@H](CNC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1 152109623 MWHDABBJDNXTAM-HOTGVXAUSA-N 336.357 3.539 0 50 EHAA O=C(N[C@@H]1CCCc2cc(F)ccc21)c1cc(F)cc2nccnc12 157728070 PDTYUFOZYQSTGM-MRXNPFEDSA-N 339.345 3.715 0 50 EHAA C[C@H](C(=O)Nc1ccc(-n2cnnc2)cc1)c1cc2ccccc2o1 170614396 AVAMITCJUKOYAP-ZDUSSCGKSA-N 332.363 3.756 0 50 EHAA CC(=O)NOCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 170651090 DOXRPNHWOHCJGM-UHFFFAOYSA-N 341.798 3.760 0 50 EHAA O=C(NCCCc1ccc(O)cc1)N[C@H]1CCOC2(CCCCC2)C1 170674803 NIZKJSCEUXASMZ-KRWDZBQOSA-N 346.471 3.506 0 50 EHAA Cc1nn(-c2ccccc2)cc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C 181239575 ICQVEROZFGUBOO-DJJJIMSYSA-N 333.391 3.684 0 50 EHAA Cc1ncsc1CCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 182855655 MQCFISJGZKJLKW-LBPRGKRZSA-N 344.406 3.546 0 50 EHAA COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)Cc1ccsc1 193549404 GUVXWKDIAOOYMG-UHFFFAOYSA-N 343.326 3.735 0 50 EHAA CSc1cccc(CN2C[C@@H]3CC[C@H](C2)C(=O)N3CC=C(C)C)c1 216290971 UUACLURXLIVWDE-MSOLQXFVSA-N 344.524 3.798 0 50 EHAA CC(C)c1nnc([C@@H](C)NC(=O)Cc2ccccc2C(F)(F)F)o1 221184303 GCZXVMBYVXWMRM-SNVBAGLBSA-N 341.333 3.632 0 50 EHAA Cn1ccnc1[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)C1CC1 222501941 LQGMRBRCQJWXJF-INIZCTEOSA-N 343.858 3.763 0 50 EHAA CC[C@H](C)[C@](C)(O)CN[C@H](C)c1cc(Cl)c(OC)cc1OC 225428111 UQNJRCRJPUGWQI-XWCIJXRUSA-N 329.868 3.805 0 50 EHAA O=C(c1ccccc1)[C@H]1CCCN(Cc2cc(-c3cccnc3)no2)C1 244742153 OCRLNGPJRXLOLP-SFHVURJKSA-N 347.418 3.832 0 50 EHAA Cc1cc2c(cc1NC(=O)N1Cc3ccccc3OC[C@H]1C)OCO2 253427347 RRBMHAUTVMVMBR-CYBMUJFWSA-N 340.379 3.539 0 50 EHAA C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)CC(=O)O 257346213 VAPBKEAUXQVFHX-JLHGIXDNSA-N 348.483 3.516 0 50 EHAA Clc1ccc([C@H]2Cn3nc(-c4nc(C5CC5)no4)cc3CO2)cc1 263616178 HMRGIHLGXFZGDZ-OAHLLOKOSA-N 342.786 3.735 0 50 EHAA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1cccn1C1CC1 328624119 JSCZXPHVNCPXSP-CYBMUJFWSA-N 329.469 3.780 0 50 EHAA COCCCCN(C)C(=O)c1cccc2[nH]c(-c3cccs3)nc12 416341264 WQBQQGRXWJWQSK-UHFFFAOYSA-N 343.452 3.790 0 50 EHAA C[C@@H](NCc1cc(O)nc(C2CC2)n1)c1nc(C(C)(C)C)cs1 459395788 BNOZEDZKISKWFM-SNVBAGLBSA-N 332.473 3.664 0 50 EHAA CCCCN(Cc1ccc(C)s1)C(=O)N[C@H](C)c1nc(C)no1 584884776 UHVGXSBDKFKQSE-GFCCVEGCSA-N 336.461 3.821 0 50 EHAA COC[C@@H]1CCCN1C(=O)c1cccc(-c2cc(C)c3nccn3c2)c1 584903463 OSRMJDGURQGUPC-IBGZPJMESA-N 349.434 3.561 0 50 EHAA CCOc1ccc(OCc2nc(C3CC3)n(CC(F)(F)F)n2)cc1 670455436 MFVKUDASMFFRSI-UHFFFAOYSA-N 341.333 3.696 0 50 EHAA Cc1ccc(-c2ccc(C(=O)N3CCC(c4cc[nH]n4)CC3)cc2)o1 670460660 ITJAOEKGQBGJJX-UHFFFAOYSA-N 335.407 3.998 0 50 EHAA C[C@@H](c1ccccc1)n1ccc(N[C@H]2CCN(c3ccccc3)C2=O)n1 675283516 HXEXPVSCVBFMLC-LPHOPBHVSA-N 346.434 3.710 0 50 EHAA CN(C)Cc1ccc(CN(C)Cc2ccc(-c3cc[nH]n3)s2)cc1 823709230 OUXBCLLBFBAMQI-UHFFFAOYSA-N 340.496 3.832 0 50 EHAA Cc1cc(OC(C)(C)C(=O)N(C)Cc2c[nH]nc2C)cc(C)c1Cl 952970137 HSQVUJQZLHXCPW-UHFFFAOYSA-N 349.862 3.804 0 50 EHAA O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H](C2(O)CC2)C1 1772809934 AGDFORVTVLWDCJ-LJQANCHMSA-N 335.447 3.582 0 50 EHAA CCc1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)c(O)n1 1775994197 XRLAULLEZYPTHH-WBVHZDCISA-N 339.439 3.543 0 50 EHAA Cc1c(Cl)cccc1NC(=O)C[C@H]1CNc2ccccc2NC1=O 1848442960 PXCSGJDANQDKQL-LBPRGKRZSA-N 343.814 3.657 0 50 EHAA Cc1cncc(CN2CC[C@H](NC(=O)CCC3CCCC3)C[C@H]2C)c1 1875362318 ZYYCQBDWNAREPQ-XLIONFOSSA-N 343.515 3.830 0 50 EHAA C=CC(=O)NC[C@H](c1ccccc1)C1CCN(Cc2ccccc2)CC1 1875384009 JFVSLYOVEDTNEH-JOCHJYFZSA-N 348.490 3.985 0 50 EHAA CC(C)(C)c1ccc([C@H]2CCC[C@@H](OC(=O)Cn3cncn3)C2)cc1 2325725134 DGOCONMIQGOAPL-FUHWJXTLSA-N 341.455 3.845 0 50 EHAA CN1CC[C@H](c2cn(Cc3ccccc3Oc3ccccc3)nn2)C1 2325772631 HXXGDWMJNVJXCY-INIZCTEOSA-N 334.423 3.538 0 50 EHAA CCO[C@H](C)c1nc(CN(C)c2nc3ncccc3nc2C)cs1 2325775153 BYAIPPRWOZBYSM-GFCCVEGCSA-N 343.456 3.524 0 50 EHAA Cc1ccccc1C[C@H](CO)CN[C@H](CC(C)C)C1CCOCC1 2325841636 BVDACUCMJUTRLB-GHTZIAJQSA-N 333.516 3.577 0 50 EHAA Cc1ccc(C(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 268223 BNXHSUHAWSGEAQ-UHFFFAOYSA-N 334.371 3.852 0 50 EHAA CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(N)cc1 462867 JGXOGXQQOVPREB-UHFFFAOYSA-N 328.416 3.979 0 50 EHAA CCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1Br 989750 KUQRTQOGXVBXDF-UHFFFAOYSA-N 335.201 3.804 0 50 EHAA C[C@@H](NC(=O)CCCC(=O)N[C@H](C)c1ccccc1)c1ccccc1 2131891 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COc1cc(OC)cc([C@H]2c3nc[nH]c3CCN2CC2CCCC2)c1 67855735 MDDFPZYZRKSTIO-FQEVSTJZSA-N 341.455 3.565 0 50 EHAA CCN(CC)C(=O)[C@@H](C)C1(O)c2ccccc2Sc2ccccc21 71770008 DFRLKKJTFIDWEP-CQSZACIVSA-N 341.476 3.892 0 50 EHAA COCc1ccc(C(=O)N(C)Cc2csc(-c3cccs3)n2)o1 72412188 SFMQIJRRNRYJKC-UHFFFAOYSA-N 348.449 3.883 0 50 EHAA CCn1cc(CNc2cc(-c3ccccc3)nc3cc(C)nn23)cn1 72440119 LIFDNMLDZQLXHW-UHFFFAOYSA-N 332.411 3.533 0 50 EHAA O=C(c1cc(C2CC2)n[nH]1)N1CCCC[C@H]1CCc1cccs1 77516670 GCLJKWHLFIEUKV-AWEZNQCLSA-N 329.469 3.976 0 50 EHAA COc1ccc([C@H](C)N(C)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 91678588 PAMRQGHQBCBBGT-ZDUSSCGKSA-N 340.398 3.869 0 50 EHAA O=C(C1CCCCCC1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 92080816 RYBOMPNSZYTXFR-MAUKXSAKSA-N 347.528 3.536 0 50 EHAA COC(=O)N[C@H](C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 95627672 QSTKSWLSLJXMJZ-ZCFIWIBFSA-N 343.223 3.651 0 50 EHAA in-vitro CCc1cc(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)sc1C 109866145 NMUYWZIGDFLBHH-OAHLLOKOSA-N 346.500 3.811 0 50 EHAA Cc1noc(C)c1Cn1cnc2cc(-c3ccccc3)sc2c1=O 121391806 ZJUCCAKFOMPGIN-UHFFFAOYSA-N 337.404 3.778 0 50 EHAA Cn1cc([C@@H]2CCCN2Cc2ccccc2OCc2ccccn2)cn1 131878063 OUGAWPJYJKEDLJ-FQEVSTJZSA-N 348.450 3.731 0 50 EHAA C[C@H](CC(=O)N1CC[C@@H](N)C[C@H]1C)c1ccc(C(F)(F)F)cc1 154250087 WJYKPPVTZYQXBX-LALPHHSUSA-N 328.378 3.537 0 50 EHAA COc1cc2nc(C)sc2cc1NC(=O)CC1(C(=O)O)CCCC1 169975741 SANNRMPQVOAMMW-UHFFFAOYSA-N 348.424 3.587 0 50 EHAA CN(c1cc(-c2nc([C@]3(C)CCCO3)no2)ccn1)C1CCCC1 170080181 YFFOGDIRQXOZCW-SFHVURJKSA-N 328.416 3.536 0 50 EHAA Cc1cc(C)c(C(=O)N2Cc3ccccc3C[C@H]2c2nnc(C)o2)o1 176804991 FAYXYUSPJQIDQK-INIZCTEOSA-N 337.379 3.528 0 50 EHAA CC(C)(C)c1ccc(-c2ccc(C(=O)N3CC[C@](C)(O)C3)o2)cc1 177385644 JJOUPPAVIIWJPD-FQEVSTJZSA-N 327.424 3.841 0 50 EHAA CC(C)Cn1ncc(C(=O)N[C@H]2CCOc3ccccc32)c1C(F)F 179347459 NHXHUZIXXHNQBV-AWEZNQCLSA-N 349.381 3.730 0 50 EHAA COC(=O)CC1(CC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)CCCC1 189642221 VANZDBZLIUJJPT-NVXWUHKLSA-N 344.455 3.505 0 50 EHAA Cn1c(-c2ccc([Si](C)(C)C)cc2)cc(-c2ccccc2)nc1=O 198091581 VORHQTUPCONFDN-UHFFFAOYSA-N 334.495 3.660 0 50 EHAA O=C(O)CCCC(=O)Nc1cc(Cl)ccc1C(=O)c1ccccc1 241590476 PFEQDIUGNSLGBF-UHFFFAOYSA-N 345.782 3.764 0 50 EHAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCCC[C@H]1c1nccs1 244712761 KWPFYMPAPPRTSG-ZDUSSCGKSA-N 347.484 3.860 0 50 EHAA CC(C)(C)n1cc(C(=O)N2CCCCC[C@H]2C2CCCCC2)nn1 252496990 PXFHEUBQJOYYKB-KRWDZBQOSA-N 332.492 3.998 0 50 EHAA C[S@@](=O)Cc1cccc(C(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)c1 252680066 VDHPEYRAAFQJLF-QIEVIBBNSA-N 334.481 3.937 0 50 EHAA O=C(O)C1CCC(NC[C@H](O)c2ccc(-c3ccccc3)cc2)CC1 263383586 CJLKEZXREXRTJL-MHJFOBGBSA-N 339.435 3.620 0 50 EHAA Cc1csc(CCNC(=O)C[C@@H](c2ccsc2)n2cccc2)n1 263587881 MHOGFONDLOBWLD-HNNXBMFYSA-N 345.493 3.653 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C 273091834 FJMQWSSACFVKPR-XCRHUMRWSA-N 325.456 3.610 0 50 EHAA CCCOc1cccc(C(=O)N2CCC3(CCC(O)CC3)CC2)c1 295377942 KJZOBLWNFJWBDH-UHFFFAOYSA-N 331.456 3.633 0 50 EHAA Cc1ccc2[nH]c(C(=O)N3CC(C)(C)[C@@H]3c3nccn3C)cc2c1C 296011334 WIULYBBDSMPBSR-KRWDZBQOSA-N 336.439 3.742 0 50 EHAA COc1ccc([C@@H]2CCCN2c2noc(C(C)(C)C)n2)c(OC)c1 302035534 FIFFGKQMKBWHGR-AWEZNQCLSA-N 331.416 3.726 0 50 EHAA O=C(N[C@H]1CCc2c(Br)cccc21)c1conc1C1CC1 390834142 STNKJNUIOSSAAC-AWEZNQCLSA-N 347.212 3.732 0 50 EHAA O=C(NCCC(F)(F)F)c1cc(Cl)cc(F)c1Br 408516243 WZBHVIQVADVALO-UHFFFAOYSA-N 348.521 3.924 0 50 EHAA CCc1nc2c(s1)[C@@H](N(C)Cc1nnc(C3CC3)s1)CCC2 450587062 ADSCKJDQJIAMKV-LBPRGKRZSA-N 334.514 3.944 0 50 EHAA C[C@H](NCc1cc(O)nc(C2CC2)n1)c1nc(C(C)(C)C)cs1 459395787 BNOZEDZKISKWFM-JTQLQIEISA-N 332.473 3.664 0 50 EHAA C[C@@H](C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C)c1ccccc1 497241157 BLIRNYSBDVGFRL-BFYDXBDKSA-N 346.471 3.694 0 50 EHAA Cc1ocnc1C(=O)NCC[C@]1(c2ccccc2)CCOC(C)(C)C1 584891834 DLAZSAFTTOYXAF-FQEVSTJZSA-N 342.439 3.630 0 50 EHAA CN1CCCCC[C@@H]1C(=O)NCC(c1ccccc1)c1ccccc1 823778623 HJLYFFDSCJCXJX-OAQYLSRUSA-N 336.479 3.809 0 50 EHAA CCc1cccnc1[C@H](C)N[C@@H]1C[C@]2(CCNC2)Oc2ccccc21 902504481 WRLMNSNUHHIEEP-KLHJMIIUSA-N 337.467 3.551 0 50 EHAA Cc1nnc(C[C@@H]2CC[C@H](N[C@@H]3CCCNc4ccccc43)C2)o1 952889622 COOCTIWLXYHDSB-RVKKMQEKSA-N 326.444 3.626 0 50 EHAA Cc1cc([C@@H]2CCCCN2C(=O)c2cccc3c2OC(C)(C)C3)n[nH]1 1179158615 AFQVCKFAEGLFCO-KRWDZBQOSA-N 339.439 3.799 0 50 EHAA CN(C(=O)Cc1ccc(-c2ccccc2)cc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529147088 UCNJSOVZAJXQNE-COPRSSIGSA-N 349.474 3.904 0 50 EHAA CC1=CC2(CCN(C(=O)C3=Cc4ccccc4OC=C3)CC2)OCC1 1704298097 FMCJGIHNNLAPNZ-UHFFFAOYSA-N 337.419 3.704 0 50 EHAA COc1ccc(C2(CNc3ncc(C(C)=O)c(C)n3)CCCC2)cc1 1704336099 TZGIWOMHLDFQBN-UHFFFAOYSA-N 339.439 3.920 0 50 EHAA CC1=CC(C)(C)Nc2c(C(=O)C(=O)N3CCCCC3)cc(C)cc21 1740816486 IHSYBNLVJPAEFX-UHFFFAOYSA-N 326.440 3.798 0 50 EHAA COc1cc2nc(-c3cc(Cl)c(O)cc3C)nc(N)c2cc1OC 1772710617 QONNEIRCCOMZFM-UHFFFAOYSA-N 345.786 3.564 0 50 EHAA C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C[C@@H]1CC(=O)O 1857533368 HFFWJAMPSSDHSC-NOENWEJRSA-N 337.419 3.513 0 50 EHAA CC(C)CCCCCc1nc(-c2cccnc2)nn1CCN(C)C 1875347837 UBVJQPLXZCLBRN-UHFFFAOYSA-N 329.492 3.661 0 50 EHAA O[C@H](Cc1cccc(F)c1)CN1CCC[C@@H]1c1ccc(F)cc1F 1875355845 BWUIUTNUDLWYGK-VQIMIIECSA-N 335.369 3.844 0 50 EHAA CC1(C)CC(CC(=O)Nc2n[nH]cc2-c2ccccc2)CC(C)(C)N1 1940194749 MCSJCCDXNFTKCQ-UHFFFAOYSA-N 340.471 3.962 0 50 EHAA CCn1ncc2c1CC[C@@H](NCc1csc(-c3ccccc3)n1)C2 2325788706 YFNOWZPEIHNINQ-MRXNPFEDSA-N 338.480 3.674 0 50 EHAA Cc1cn2c(n1)[C@@H](C(=O)N(C)Cc1cccc3ccccc13)CCC2 2325823449 SUNVXDQAUHOILD-IBGZPJMESA-N 333.435 3.881 0 50 EHAA FC(F)(F)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1 277108 RQBVZUFHENOVSF-UHFFFAOYSA-N 336.357 3.907 0 50 EHAA Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)s1 337872 ALXCUAFJDCSPST-UHFFFAOYSA-N 333.360 3.596 0 50 EHAA COCCSc1ccccc1C(=O)N1CCc2ccccc2C1 2865300 NUQZNKICBKAODW-UHFFFAOYSA-N 327.449 3.624 0 50 EHAA O=C(NCc1ccc(Cn2cc(Cl)cn2)cc1)c1ccc(F)cc1 4785057 SPQYLHWEQXCRHH-UHFFFAOYSA-N 343.789 3.654 0 50 EHAA Cc1cc(/C=C\[N+](=O)[O-])c(C)n1-c1sc2c(c1C(=O)O)CCCC2 5050141 ZIDNLMGLHKDSJN-FPLPWBNLSA-N 346.408 3.980 0 50 EHAA COc1ccccc1CN1CCC(CO)(Cc2ccccc2)CC1 11813148 FZOILZPMWYTVNQ-UHFFFAOYSA-N 325.452 3.512 0 50 EHAA Cc1cccc(CN2C(=O)CC[C@H]2CCNCc2ccccc2F)c1 11911089 QMNHJXIYJGTCAU-IBGZPJMESA-N 340.442 3.805 0 50 EHAA CC(C)(CO)CN[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 11949569 WJVBHVXZQQBUJJ-QGZVFWFLSA-N 345.462 3.633 0 50 EHAA C[C@H](NC(=O)c1cccc(Br)c1)c1ccc2c(c1)OCO2 12383737 WHWMVPSCVKUSET-JTQLQIEISA-N 348.196 3.669 0 50 EHAA CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C)CC1 12702030 QPIFKORTVSWILC-UHFFFAOYSA-N 329.362 3.523 0 50 EHAA CN(Cc1cnccn1)C(=O)C[C@@H](c1ccccc1)c1ccccc1F 12712261 WHCRQSZXFJIIQA-IBGZPJMESA-N 349.409 3.796 0 50 EHAA CCC(CC)C(=O)NC[C@H]1Cc2cc(C)cc(-c3ccccn3)c2O1 15070726 GNARTPVMZVMGHI-QGZVFWFLSA-N 338.451 3.913 0 50 EHAA O=c1c(CNc2ccc3[nH]ncc3c2)coc2ccc(Cl)cc12 23283176 HQNRKRWNHOMITH-UHFFFAOYSA-N 325.755 3.935 0 50 EHAA CCc1ncc2c(n1)CN(C(=O)c1ccccc1-c1ccccc1)C2 67694942 UOCFFXLQEBPPPF-UHFFFAOYSA-N 329.403 3.862 0 50 EHAA COc1ccccc1CCC(=O)Nc1cc(Cl)ccc1N(C)C 69247423 HUVZWEIOYLEAQB-UHFFFAOYSA-N 332.831 3.986 0 50 EHAA Cc1c(CN2CCC[C@H](CCc3c(F)cccc3F)C2)cnn1C 71747965 QJKFZMDYQDXMNW-OAHLLOKOSA-N 333.426 3.852 0 50 EHAA Fc1ccc(CC[C@H]2CCCN(Cc3nnc(C4CC4)o3)C2)cc1 72163347 YKIHYMGCXFOIRZ-OAHLLOKOSA-N 329.419 3.931 0 50 EHAA CCc1nc(N)sc1C(=O)N1CCC(Cc2ccccc2F)CC1 77284657 UZBSWPGQGNKAFN-UHFFFAOYSA-N 347.459 3.522 0 50 EHAA O=C([C@@H]1C[C@H]1c1ccccc1)N1CCCN(c2ccc(F)cc2)CC1 82083737 FVCHUCUOZWABBH-VQTJNVASSA-N 338.426 3.668 0 50 EHAA O=C(c1cnn2ccccc12)N1CCCC[C@@H]1CCc1ccc(O)cc1 82098070 QJEXZJVDGMYFMG-QGZVFWFLSA-N 349.434 3.667 0 50 EHAA O=C(Nc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1)c1ccccc1 101324483 WPXDCVOYKWSRRS-HDICACEKSA-N 348.402 3.619 0 50 EHAA Fc1ccc(-c2noc(C[C@@H]3OCCc4ccccc43)n2)cc1F 115178497 WCPOFCBHUNWJBB-INIZCTEOSA-N 328.318 3.871 0 50 EHAA COc1ccc(CNC(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)cc1 131584855 DIPKGIRDXVEFRH-CYBMUJFWSA-N 344.459 3.516 0 50 EHAA C[C@H]1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)c2c(O)cccc21 170597400 HSCFTNBIWYIGNO-HNNXBMFYSA-N 347.418 3.661 0 50 EHAA Cc1cccnc1NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 172101753 FYDPMPPLNMGHJF-INIZCTEOSA-N 338.455 3.737 0 50 EHAA COc1cccc2c1CC[C@H](NCc1ccc(F)c(CN(C)C)c1)C2 192442657 MYARRQSIXCAQCE-SFHVURJKSA-N 342.458 3.543 0 50 EHAA O=C(O)C1CCC(C(=O)N(Cc2ccccc2)CC2CCC2)CC1 194403302 AFIPCJZFPFGQLN-UHFFFAOYSA-N 329.440 3.706 0 50 EHAA C[C@H]1CN(c2nc(-c3cccs3)nc3ccccc23)[C@H](C)CO1 225503420 BOGOIGURYXUSGB-OLZOCXBDSA-N 325.437 3.972 0 50 EHAA C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 242324330 ZAEHUOGHKLRPLM-HCKVZZMMSA-N 347.365 3.724 0 50 EHAA O=C(Nc1ccc(CC(F)(F)F)cc1)N1CC[C@@H]([C@H]2CCOC2)C1 253428234 CHLCCYWOIAQGFC-KGLIPLIRSA-N 342.361 3.682 0 50 EHAA Cc1csc(CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)n1 275698398 NHKNDRABQHTLKM-OAHLLOKOSA-N 333.526 3.657 0 50 EHAA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@@H]3CCO[C@H]3C(C)C)nc2c1 277332355 FDTUCIXWWBNBKC-JLSDUUJJSA-N 341.455 3.596 0 50 EHAA O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cncc(Cl)c1 296125945 RFSVVZVQTFOSCC-QGZVFWFLSA-N 342.826 3.559 0 50 EHAA Clc1ccc2ncc(CNC[C@H]3CCO[C@@H]3c3ccccc3)n2c1 328627303 MPLNYKFAUOYDQY-DNVCBOLYSA-N 341.842 3.855 0 50 EHAA CC(C)Cn1ncc(NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2)c1C1CC1 333185055 MSOKKKOYXYIQOR-LUKYLMHMSA-N 340.471 3.702 0 50 EHAA Brc1ccc2[nH]cc(CCNCc3cscn3)c2c1 344391950 JESMACOCPKYPAN-UHFFFAOYSA-N 336.258 3.719 0 50 EHAA CCn1cnnc1-c1cccc(NCc2ccnn2-c2ccccc2)c1 408515140 LBGVABKXQZHQGX-UHFFFAOYSA-N 344.422 3.763 0 50 EHAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@H](CCO)C1 676406327 LKQQRYMBIHHEJZ-CYBMUJFWSA-N 333.815 3.835 0 50 EHAA CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccn(C2CCCC2)n1 890458063 KICRYNNGPCGEIT-UHFFFAOYSA-N 349.438 3.661 0 50 EHAA COc1ccc(Cl)c2c1CCC[C@H]2NCc1nc(C2CC2)n[nH]1 903176675 CTWLEDDBJSWABW-CYBMUJFWSA-N 332.835 3.511 0 50 EHAA CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)[C@]2(C)C=CCC2)nc1 905036462 HZWQQNDWWBCPNV-OAQYLSRUSA-N 349.434 3.649 0 50 EHAA CC(C)C(=O)N1CCC[C@@H](NCc2ccccc2-c2ccco2)C1 952967978 DRLKZTNOFXSXEQ-QGZVFWFLSA-N 326.440 3.683 0 50 EHAA C[S@@](=O)c1cccc(NC(=O)N2CCCCC[C@H]2C(F)(F)F)c1 1465568886 QRELIMHNWXUGES-ZAMGYDSWSA-N 348.390 3.763 0 50 EHAA CCN(C[C@H]1CCCCO1)C1CCN(c2ccc(F)c(F)c2)CC1 1506397272 RIAXCEDPFXWURN-QGZVFWFLSA-N 338.442 3.825 0 50 EHAA Cc1cc(F)ccc1N1CCC(NCCCNc2cccnc2)CC1 1506405801 HXCCKZKZMDUPSU-UHFFFAOYSA-N 342.462 3.590 0 50 EHAA O=C(O)c1csc([C@@H]2CCCN(Cc3cscc3Cl)C2)n1 1875282981 ACKBXZRHWNIZSW-SECBINFHSA-N 342.873 3.936 0 50 EHAA N=[S@@]1(=O)CCC[C@]2(CCCN2C(=O)c2cccc(C3CCC3)c2)C1 1875395368 BWAGYCCVNYNFLO-NTKDMRAZSA-N 346.496 3.769 0 50 EHAA COc1ccc2nc(NC(=O)COc3ccc(C)cc3)sc2c1 144539 AZJPKKBTIMIHEY-UHFFFAOYSA-N 328.393 3.631 0 50 EHAA COc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC 266840 RXUBCRTYCKFCAM-UHFFFAOYSA-N 349.814 3.992 0 50 EHAA CSc1cc(Br)c(OC(C)=O)c(Br)c1 334829 HKMSNEUCBLOIPE-UHFFFAOYSA-N 340.036 3.859 0 50 EHAA Cc1ccn(C(=O)COc2ccc(C(C)C)cc2Br)n1 556170 WCFVHFFHOXVMIC-UHFFFAOYSA-N 337.217 3.797 0 50 EHAA O=C(CSc1nc2ccccc2o1)c1cc2ccccc2oc1=O 617403 MDOWKDQNQIUBFR-UHFFFAOYSA-N 337.356 3.909 0 50 EHAA aggregator CNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(C)cc1 1052957 JOCYEOGLFDCSOT-UHFFFAOYSA-N 346.383 3.664 0 50 EHAA Cc1ccc(CSCCNS(=O)(=O)c2ccc(C)cc2)cc1 2064623 RAVAPUIURMUEBU-UHFFFAOYSA-N 335.494 3.515 0 50 EHAA CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1F 4113702 ZMRHGYILDNXKHW-INIZCTEOSA-N 334.391 3.577 0 50 EHAA COc1ccccc1-c1ccc(=O)n(Cc2cccc(Cl)c2)n1 5397229 NHVSSERUWSTTMU-UHFFFAOYSA-N 326.783 3.621 0 50 EHAA Cc1sc(-c2ccc(F)cc2)nc1C(=O)NCc1ccncc1 11867528 KKXMUKDQLCRLLT-UHFFFAOYSA-N 327.384 3.583 0 50 EHAA CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1 12885770 LDYLYCDQJASJRJ-CQSZACIVSA-N 333.453 3.687 0 50 EHAA Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)c1ccccc1)C2 14880870 QMPKXYVBVXEQBI-GOSISDBHSA-N 344.414 3.791 0 50 EHAA Cc1ccc(Cn2c(=N)n(C[C@H](O)c3ccco3)c3ccccc32)cc1 19708584 MJOZOYUYIBMKAO-IBGZPJMESA-N 347.418 3.606 0 50 EHAA CC(C)Cc1cc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)n[nH]1 19812243 YMGZDMZDXAWUPN-OAQYLSRUSA-N 340.515 3.705 0 50 EHAA CN(Cc1cc(-c2cccnc2)no1)C(=O)c1ccc2occc2c1 20453512 YUSXVUAJWIAJOJ-UHFFFAOYSA-N 333.347 3.755 0 50 EHAA COCCc1noc(-c2ccc(NCCC3=CCCCC3)nc2)n1 20906220 TXTLYRUJKXSHNG-UHFFFAOYSA-N 328.416 3.623 0 50 EHAA CCCO[C@H]1CCCN(C2CCN(c3ccc(F)c(F)c3)CC2)C1 32541608 SCSJYCAIJHKQFO-KRWDZBQOSA-N 338.442 3.825 0 50 EHAA O=C(c1cc(F)ccc1O)N1CCCC[C@H]1CCc1ccc(O)cc1 55414338 WPQXTAVHEZUGCF-INIZCTEOSA-N 343.398 3.864 0 50 EHAA COc1ccccc1N1CCN(CCOc2ccc(Cl)cc2)CC1 55506912 MVSVSSNIVKKDNY-UHFFFAOYSA-N 346.858 3.550 0 50 EHAA CNCCCCNC1CCN(c2ccc(-c3ccccc3)cc2)CC1 63868997 VTLYAQQZVWEVET-UHFFFAOYSA-N 337.511 3.912 0 50 EHAA CC(=O)NCCn1cnc(-c2ccccc2)c1/C(C)=C/c1ccco1 65428440 ZLIZZXJVAMHDFT-FYWRMAATSA-N 335.407 3.840 0 50 EHAA CC(C)=Cc1c(-c2ccccc2)ncn1CCSc1nncn1C 65452830 ORKIDWZHDYCEPR-UHFFFAOYSA-N 339.468 3.894 0 50 EHAA CC(=O)N1CCC[C@]2(CCN(Cc3c(C)ccc4ccccc34)C2)C1 67676570 OVOTYTHPMVMEKE-JOCHJYFZSA-N 336.479 3.983 0 50 EHAA Oc1cccc(CN2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1 67934060 WSWWPYQOSZUHMT-FCHUYYIVSA-N 333.431 3.896 0 50 EHAA O=C(O)c1ccc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1 71283732 ARJSCAVEUJGGSR-CQSZACIVSA-N 325.368 3.820 0 50 EHAA c1ccc(OCc2noc(-c3ccc(-c4ccncc4)nc3)n2)cc1 72131886 DVEWBOGZYDFBOH-UHFFFAOYSA-N 330.347 3.773 0 50 EHAA CC[C@H](c1ccc(C)cc1C)n1ccnc1-c1cc2n(n1)CCCNC2 72476419 SQUPFFNGXAGSIM-HXUWFJFHSA-N 349.482 3.856 0 50 EHAA Fc1ccc(N2CCCN(c3noc(-c4ccccc4)n3)CC2)cc1 77525481 VYGXEAJSDLTBLE-UHFFFAOYSA-N 338.386 3.592 0 50 EHAA Fc1c(Cl)ncc2c1COC21CCN(Cc2ccccc2)CC1 91691621 PETBKWFABRXPIR-UHFFFAOYSA-N 332.806 3.896 0 50 EHAA in-vitro COCCCCC(=O)Nc1cc(NC(=O)OC(C)(C)C)ccc1F 121082925 KTMRMKDUHNIIMV-UHFFFAOYSA-N 340.395 3.928 0 50 EHAA C[C@@H](C(=O)Nc1cccc(N2CCOC2=O)c1)c1c(F)cccc1F 134251315 AILSSPIWLNXAIW-LLVKDONJSA-N 346.333 3.664 0 50 EHAA COCCc1noc(-c2cc(Cl)ccc2NC(=O)[C@H]2CC2(C)C)n1 153836444 DFZYGECAJBNHSO-GFCCVEGCSA-N 349.818 3.564 0 50 EHAA Cc1ccoc1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 156938470 HQPFNXYETZQQQG-UHFFFAOYSA-N 337.166 3.728 0 50 EHAA Cc1nc(CO[C@@H]2CCN(c3nc4cc(F)ccc4o3)C2)cs1 170601913 MVVVONORYYVSHW-CYBMUJFWSA-N 333.388 3.527 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1cccs1 180294524 PWOHRJZKHXHNBJ-OAHLLOKOSA-N 332.473 3.915 0 50 EHAA CC(=O)Nc1ccc(C)cc1NC(=O)[C@H](C)O[C@H]1CCC[C@@H](C)C1 195530362 YSKVDIQXMQZTQG-INWMFGNUSA-N 332.444 3.876 0 50 EHAA CCn1cc(CN(CC(C)C)C(=O)c2ccc(F)c(Cl)c2)cn1 222785807 CPJOJEMKAHQZGM-UHFFFAOYSA-N 337.826 3.994 0 50 EHAA CC(C)(C)CC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 223398050 UOQUSFFBPARILF-GSQSYGFSSA-N 326.440 3.599 0 50 EHAA COc1cccc([C@H]2CCCN2c2nnc(-c3ccccn3)s2)c1 225563509 IPKIUKHWDNRAEK-MRXNPFEDSA-N 338.436 3.950 0 50 EHAA Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCCC23CCOCC3)cs1 240934434 JCADOTPJRFBQRP-JKSUJKDBSA-N 349.500 3.647 0 50 EHAA O=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CCN2CCC[C@H]2C1 243893038 ANUKZPKDVJPUBV-IBGZPJMESA-N 339.414 3.805 0 50 EHAA CC(C)C[C@H](NC(=O)N1CC[C@@H](C(=O)O)C1)c1ccc(Cl)cc1 263226102 LTCPIMKOABAPKD-HIFRSBDPSA-N 338.835 3.543 0 50 EHAA Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)s1 275940956 BXPMHJZWVSFREZ-FZKQIMNGSA-N 345.468 3.757 0 50 EHAA CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(COC)o2)o1 293350420 BGWQUIGKDDIFLC-CQSZACIVSA-N 332.400 3.652 0 50 EHAA Cc1cc(C)nc(CN(C)C(=O)Nc2cc(C)nn2CCC(C)C)c1 299765019 YVKKCJHKLMZXIH-UHFFFAOYSA-N 343.475 3.913 0 50 EHAA CCc1cc(CN(C)C(=O)Nc2c(C)cnn2C(CC)CC)on1 299770135 LVBLMCPDLJPGOT-UHFFFAOYSA-N 333.436 3.767 0 50 EHAA Cn1nnc2cc(CN[C@@H]3CC4(CCCC4)Oc4ccccc43)ccc21 329308384 YUCLAWNWNDBWGX-GOSISDBHSA-N 348.450 3.895 0 50 EHAA C[C@@H](C(=O)Nc1cnccc1-n1cccn1)c1cccc(Cl)c1 337629083 LMUJWKIRCRWFKF-GFCCVEGCSA-N 326.787 3.663 0 50 EHAA Cc1noc(C)c1CCN[C@@H]1c2ccccc2CC12CCOCC2 352895738 WIFZEBJUTJVQKX-LJQANCHMSA-N 326.440 3.518 0 50 EHAA CC(C)c1noc([C@H](C)N2CCC(c3ccccc3C(=O)O)CC2)n1 364836102 AHCVXEZNUYKKMJ-ZDUSSCGKSA-N 343.427 3.832 0 50 EHAA COc1cc(C)c(NC(=O)N[C@@H]2CCCC23CCOCC3)cc1F 374375769 ACTUNLRNJLAXEC-MRXNPFEDSA-N 336.407 3.614 0 50 EHAA CCC(CC)n1ncc(C(=O)Nc2nc3ccccn3c2C)c1C 408517348 APTUEQZAGBGDJC-UHFFFAOYSA-N 325.416 3.761 0 50 EHAA CC(C)Oc1ccc(Cl)cc1C(=O)N1CC2(CCC2(F)F)C1 461280836 DDKYLRLDPZPGHF-UHFFFAOYSA-N 329.774 3.999 0 50 EHAA Cc1c(F)cccc1NC(=O)c1cnc(OCc2ccccc2)cn1 469498383 WGEFIKJIVNFJQD-UHFFFAOYSA-N 337.354 3.755 0 50 EHAA O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1ccncc1 534593131 KJUAPJAETXXCIQ-SFHVURJKSA-N 343.858 3.692 0 50 EHAA Cc1cc(Cl)c(C(=O)N[C@@H]2C[C@H](C(=O)O)c3ccccc32)cc1C 653327903 BEALLXZBGJDQRG-WMLDXEAASA-N 343.810 4.000 0 50 EHAA O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCCc2n[nH]cc2C1 663194863 OZOWXELMBKGWEL-UHFFFAOYSA-N 346.843 3.708 0 50 EHAA O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC[C@@H]2C[C@@H]21 672134572 HLTQHJXKOGATRN-AEFFLSMTSA-N 335.451 3.901 0 50 EHAA Cc1ccc(Cl)c(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1 765033713 OPMVBMQNASHVRB-UHFFFAOYSA-N 347.846 3.652 0 50 EHAA C[C@@H](NC[C@@H](CCO)c1ccccc1)c1ccc(C(C)(C)O)cc1 863982369 FRULLYQLRDLLND-VQIMIIECSA-N 327.468 3.731 0 50 EHAA FC1(F)CC[C@@H](c2nc(Cc3ccc(C(F)(F)F)nc3)no2)C1 888092712 CDQLKHFAKSLEDW-SECBINFHSA-N 333.260 3.977 0 50 EHAA Cc1cccc(C)c1CN(C)C(=O)NCc1noc2cc(F)ccc12 896262191 STPVJLJYOSCVJQ-UHFFFAOYSA-N 341.386 3.925 0 50 EHAA Cc1csc(CN2CCC([C@@H](CC(=O)O)c3ccccc3)CC2)n1 901598594 DYYKJJHFSBUZDK-KRWDZBQOSA-N 344.480 3.922 0 50 EHAA Cc1nc(C2(NCc3nc(C(C)C)ns3)CCCCCC2)no1 929897932 PDQFYNBWNGXZGN-UHFFFAOYSA-N 335.477 3.692 0 50 EHAA CC(C)CN(Cc1ccco1)C(=O)[C@H](c1ccc(F)cc1)N(C)C 952988627 SOMQSAZVHCBENW-SFHVURJKSA-N 332.419 3.706 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N[C@H](C)c1cc(F)ccc1N(C)C 1263278477 KQBHZQSWYGIECK-SNVBAGLBSA-N 346.406 3.948 0 50 EHAA CCc1c(C)noc1NC(=O)CC1CCN(Cc2ccccc2)CC1 1506395682 DSOCACGLNHJBCH-UHFFFAOYSA-N 341.455 3.786 0 50 EHAA Cc1nccn1CC[C@@H](NC1CSCCSC1)c1ccccc1 1506417068 GHENKYMWAPCINL-GOSISDBHSA-N 347.553 3.761 0 50 EHAA CCc1c(C)noc1NC(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 1529194689 BRTJAFDKOXYOHH-KRWDZBQOSA-N 345.418 3.850 0 50 EHAA CN(Cc1cc(Cl)ccc1NC(=O)OC(C)(C)C)C1(CO)CC1 1776006802 VZFLBCDKHTUXIX-UHFFFAOYSA-N 340.851 3.644 0 50 EHAA O=C(c1cc(Cl)nc(Cl)c1)N1CCCC[C@H]1c1cncnc1 1875379979 BGVNAXVIGRFCHR-LBPRGKRZSA-N 337.210 3.546 0 50 EHAA CCN(C(=O)Cc1cc(C)ccc1Br)c1cccnc1 2325811041 ZJCKQZZKXUNVJO-UHFFFAOYSA-N 333.229 3.748 0 50 EHAA O=C(c1cc2c(Cl)cccc2[nH]1)N1CCN[C@H](c2ccccc2)C1 2325855546 FQHWSQZQNLJCGE-SFHVURJKSA-N 339.826 3.608 0 50 EHAA C[C@H](Cc1c[nH]c2ccccc12)NCCc1c(F)cc(O)cc1F 2325870446 YKYQFIWNWDNJGM-GFCCVEGCSA-N 330.378 3.915 0 50 EHAA C=CC(=O)N1CCC(c2ccccc2CNC(=O)OC(C)(C)C)CC1 2325890334 HICCUNJCVRXWMY-UHFFFAOYSA-N 344.455 3.603 0 50 EHAA CCCCc1nc(CN2C[C@@H]3[C@@H](CCC[C@@]3(O)CC)C2)c(Cl)[nH]1 2356141443 AUHPHVDXTSOFPN-IYOUNJFTSA-N 339.911 3.779 0 50 EHAA NC(=O)c1ccc(Nc2ccc(-c3nnc(-c4ccco4)o3)cc2)cc1 2356162685 OYPCTAXUPZRILA-UHFFFAOYSA-N 346.346 3.839 0 50 EHAA CC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1 45223 QTMDRKPSXWPWLI-UHFFFAOYSA-N 348.196 3.669 0 50 EHAA CCCn1c([C@@H](O)c2ccc(OC)c(OC)c2)nc2ccccc21 198071 AMKXEOBKCZJISJ-SFHVURJKSA-N 326.396 3.545 0 50 EHAA CCOC(=O)c1[nH]c2ccccc2c1NC(=O)/C=C/c1ccccc1 325882 VIFRDCSZSDUMBC-OUKQBFOZSA-N 334.375 3.997 0 50 EHAA CCC(NC(=O)Nc1ncccc1C)(C(F)(F)F)C(F)(F)F 509715 OFUYHDZWQHNALC-UHFFFAOYSA-N 329.244 3.785 0 50 EHAA biogenic COc1ccc(C)cc1NC(=O)Cn1c(C)c(C=O)c2ccccc21 619223 HYCJHBQAOGFFGI-UHFFFAOYSA-N 336.391 3.718 0 50 EHAA CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 2764056 ZMIKHJHARSFMHR-NSHDSACASA-N 332.787 3.704 0 50 EHAA CCCCN1C(=O)c2cccc3c(NCCCOC)ccc(c23)C1=O 4030741 GFRMTRWTWRLTSM-UHFFFAOYSA-N 340.423 3.684 0 50 EHAA Fc1ccc(N2CCN(CC[C@@H]3OCCc4ccccc43)CC2)cc1 4632523 UKOCGOXTVCIACM-NRFANRHFSA-N 340.442 3.652 0 50 EHAA in-vitro CC[C@]1(C)C[C@@](CC(=O)O[C@@H](C)CN(C)C)(c2ccccc2)CCO1 4696772 BQVOKFAZPLBWCA-IOMROCGXSA-N 347.499 3.787 0 50 EHAA Cc1nn([C@H](C)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1Cl 6527470 SHXDLNLEMMWCHS-QLFDAEIZSA-N 335.879 3.739 0 50 EHAA O=C(NCc1nc(-c2ccccc2)no1)c1c(Cl)cccc1Cl 7759736 PNNURJVKGAMSBO-UHFFFAOYSA-N 348.189 3.973 0 50 EHAA Cc1ccc(Cl)cc1-n1nnc(C(=O)Nc2cccc(F)c2)c1C 8843791 IYUKNOWDAQCHBP-UHFFFAOYSA-N 344.777 3.929 0 50 EHAA Fc1cccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)c1 12409746 LGDLBPAASNTPHE-UHFFFAOYSA-N 332.310 3.937 0 50 EHAA C[C@@H]1CN(C(=O)C(C)(C)Oc2cc(Cl)ccc2Cl)C[C@@H](C)O1 13744766 VRCWNDDFQAOCRU-GHMZBOCLSA-N 346.254 3.787 0 50 EHAA O=C(O)c1c(F)c(F)c(OCCCCCCCCO)c(F)c1F 16698346 MBDCJZBGJBUULB-UHFFFAOYSA-N 338.297 3.653 0 50 EHAA CC(C)(C)C(=O)N[C@H](NC1CCCCC1)C(Cl)(Cl)Cl 19286822 XHOUYHOVQHYXQI-JTQLQIEISA-N 329.699 3.767 0 50 EHAA CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2ccc(CO)o2)C1 19299829 LGQTUABIURCMID-CQSZACIVSA-N 345.464 3.589 0 50 EHAA CC(C)(C)c1cc(C(=O)CN2CCOCC2)cc(C(C)(C)C)c1O 20033360 MOBIONYIBDRKQW-UHFFFAOYSA-N 333.472 3.502 0 50 EHAA CCc1cc([C@H]2CCCN2C(=O)Nc2cc(C)ccc2OC)on1 64985180 BAEXZTABKGFCIT-OAHLLOKOSA-N 329.400 3.923 0 50 EHAA Fc1cc(I)c(Br)cc1Cl 65356622 CEXHYWMZQCRMPC-UHFFFAOYSA-N 335.341 3.846 0 50 EHAA CC(=O)NCCn1cnc(-c2ccccc2)c1-c1c(C)cccc1C 65405091 KSIORZYVAFPGNB-UHFFFAOYSA-N 333.435 3.970 0 50 EHAA CC[C@H](O)CN1CCOc2c(cc(-c3ccc(C)s3)cc2OC)C1 67696227 UXCRMKHNMFAZGK-INIZCTEOSA-N 347.480 3.697 0 50 EHAA CC(=O)c1cc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)[nH]n1 72480475 UOGPYLOMWYSPII-UHFFFAOYSA-N 349.390 3.677 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)NCC3(Cn4ccnc4)CC3)c2c1 77391435 QDXDXNIEUJTRSZ-UHFFFAOYSA-N 348.450 3.567 0 50 EHAA Cc1ccc2nc([C@H]3CCCN3Cc3cnn(C)c3C3CC3)[nH]c2c1 77406643 WCFVIOTZZZWCAW-GOSISDBHSA-N 335.455 3.819 0 50 EHAA O=C(CC[C@@H]1CCCO1)N[C@H](c1cccc(Cl)c1)c1ccccn1 126568413 DCAYFUNRBVXXBX-QFBILLFUSA-N 344.842 3.900 0 50 EHAA Fc1cccc(CN(Cc2cn3ccccc3n2)C[C@H]2CCCO2)c1 126869057 ZTCOIOFSRDEDJR-LJQANCHMSA-N 339.414 3.655 0 50 EHAA O=C(c1noc2c1CCCCC2)N(c1ccccn1)C1CCCC1 130649356 YDICBRWPJNNHLR-UHFFFAOYSA-N 325.412 3.928 0 50 EHAA CC(=O)c1cccc(NCc2nc(-c3ccc(F)c(F)c3)no2)c1 131411724 LTFJBBZTVHSURU-UHFFFAOYSA-N 329.306 3.830 0 50 EHAA CCc1c(NCC(=O)Nc2ccc(Cl)cc2)cnn1CC(C)C 170618777 PXVUKNKBHPVNIK-UHFFFAOYSA-N 334.851 3.806 0 50 EHAA Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2CCc3c(Cl)cccc32)cn1 171465610 LGHOFKZUKXQLQC-IAGOWNOFSA-N 344.846 3.608 0 50 EHAA Cc1c(C(=O)NCCc2nc(C(C)(C)C)cs2)cnn1C(C)(C)C 171578430 WKEBFCBJPIVHET-UHFFFAOYSA-N 348.516 3.673 0 50 EHAA CC(=O)c1ccc(N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)nc1 181230467 VZXBSNOCHVGXJB-ROUUACIJSA-N 328.387 3.516 0 50 EHAA Cc1cc2c(cc1NC(=O)NCCc1csc(C(C)C)n1)OCO2 183787005 DOVYYNQECJMXGK-UHFFFAOYSA-N 347.440 3.668 0 50 EHAA CC(C)c1cc(C(=O)N2CC[C@H](C)c3cccc(O)c32)cc(O)n1 186263352 YAONPRYVXIUEAQ-LBPRGKRZSA-N 326.396 3.770 0 50 EHAA COc1ccc2c(c1)[C@@H](NCc1ccc(C(C)(C)O)cc1)CCCO2 186600911 AAPCNHPTNAFNAG-IBGZPJMESA-N 341.451 3.926 0 50 EHAA CN(Cc1cnc(C2CCCCC2)nc1)Cc1ccc2nonc2c1 216004263 QINQKQRGVYCUKC-UHFFFAOYSA-N 337.427 3.693 0 50 EHAA Cc1cc([C@H]2CCCCN2C(=O)CCC(=O)c2ccc(F)cc2)no1 223677288 FSHJTBFNHPOUFJ-QGZVFWFLSA-N 344.386 3.839 0 50 EHAA C[C@H]1CN(c2ccncc2Br)C[C@H](c2ccccc2)O1 225613293 GKVFKAUWKHRWIZ-BLLLJJGKSA-N 333.229 3.811 0 50 EHAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1nc2ccccc2n1C 229714445 KMEGKUNWRCKTFT-CWRNSKLLSA-N 349.434 3.563 0 50 EHAA O=C(O)CC[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 238020140 HDPUGYLJFWOYGC-CYBMUJFWSA-N 345.370 3.803 0 50 EHAA O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCN2CCC[C@H]2C1 240225407 DHQBITVJZLAHDJ-RYUDHWBXSA-N 328.243 3.742 0 50 EHAA CCc1nnsc1C(=O)N(CC)c1ccc(C(F)(F)F)cc1 241586474 OWFJJGIUZSECQU-UHFFFAOYSA-N 329.347 3.786 0 50 EHAA CCOc1cccc2[nH]cc(CCNC(=O)N3CC[C@@H](CC)C3)c12 252497257 QCJTZXDPQXRMKG-CQSZACIVSA-N 329.444 3.551 0 50 EHAA Cc1cccc2c1OCC[C@@H]2NC(=O)c1oc(CC(C)C)nc1C 252509797 YVYLZKNCLRYVSY-HNNXBMFYSA-N 328.412 3.744 0 50 EHAA CO[C@@H]1CCC[C@@H](CC(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)C1 280265674 VHEHSKRXUIACEE-ZIFCJYIRSA-N 333.447 3.812 0 50 EHAA COc1ccc(Cl)cc1NC(=O)N(C)Cc1cc(C2CC2)[nH]n1 299774738 FYQSCLLDIXQTQG-UHFFFAOYSA-N 334.807 3.613 0 50 EHAA N#Cc1cc2ccccc2nc1NCCc1ccc2c(c1)OCCO2 327181016 JGJJBWXZPSQBAX-UHFFFAOYSA-N 331.375 3.532 0 50 EHAA CC(=O)c1cccc(-c2ccc(C(=O)NCCOC(C)C)cc2)c1 426612673 VOWZFOLRAGUUOG-UHFFFAOYSA-N 325.408 3.711 0 50 EHAA COc1ccc(-c2ccc(C(=O)N3CCCCCCC3)cc2)nn1 426683828 OEKLJECOWHCLML-UHFFFAOYSA-N 325.412 3.559 0 50 EHAA O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1[C@H]1CCCC(F)(F)C1 431343238 ZQKULCDKXCKBJD-ZDUSSCGKSA-N 342.773 3.682 0 50 EHAA O=C(CSC12CC3CC(CC(C3)C1)C2)NCC[C@H]1CCCOC1 534676939 LHMLTXYIMWWZAV-DGTBMVLOSA-N 337.529 3.621 0 50 EHAA O=C(O)[C@H](c1ccccc1)N1CCC(c2ccc3cccnc3n2)CC1 656191353 KJLWDBZVUBRDHM-IBGZPJMESA-N 347.418 3.635 0 50 EHAA Cn1ccnc1[C@@H]1OCC[C@H]1CNc1ccnc2c(Cl)cccc12 664508085 DCMDHRSBKCHWJJ-YVEFUNNKSA-N 342.830 3.811 0 50 EHAA Cc1ccc(C(=O)Oc2ccc(-c3ncn(C)n3)cc2)c(C(C)C)n1 835339583 YKBMMQJOJFLBLF-UHFFFAOYSA-N 336.395 3.528 0 50 EHAA Cc1cc(NC(=O)N2CCC[C@@H]2c2ccc(O)cc2)cn2ccnc12 931553539 DSYBSCOFFURMKE-QGZVFWFLSA-N 336.395 3.717 0 50 EHAA Cc1ccc(CNC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)o1 1438094301 IPMAXDVVSXDXNT-UHFFFAOYSA-N 349.312 3.723 0 50 EHAA O=C(Nc1ccc(Nc2ccccc2)cn1)[C@@H]1Cc2cc(F)ccc2O1 1461718752 QVWMXMWEPZOJJU-SFHVURJKSA-N 349.365 3.907 0 50 EHAA COc1cccc(CN(C)Cc2sccc2C)c1O[C@H](C)C(=O)O 1506408698 OOFCUILMNSCZCF-CYBMUJFWSA-N 349.452 3.549 0 50 EHAA Cc1nc(N2CCC[C@@H](OCc3ccccn3)C2)c2ccccc2n1 1529089909 CKVABXOGFKBQFH-QGZVFWFLSA-N 334.423 3.519 0 50 EHAA COc1ccc2c(c1)C[C@@H](N1CCC(c3ccnc(O)c3)CC1)CC2 1772813253 YUUKNDGMUYATGB-IBGZPJMESA-N 338.451 3.533 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](C3(O)CC3)C2)c2cc(Cl)ccc2n1 1772814197 NPRAQHANUDSNJV-ZDUSSCGKSA-N 344.842 3.574 0 50 EHAA COc1cccc(-c2ncc(-c3nccn3C[C@H]3CCOC3)s2)c1 1857699725 WONZNSUAIVHGHU-CYBMUJFWSA-N 341.436 3.719 0 50 EHAA CCN1CCC(N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)CC1 1875249805 CBOMVQVTORUEPC-VQTJNVASSA-N 330.516 3.959 0 50 EHAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)[C@@H]1C[C@H]1c1ccccn1 1875305038 DDOCAEHGVXCPMA-NXWXRZEISA-N 336.435 3.692 0 50 EHAA Cc1cc(F)cc(NS(=O)(=O)c2cc(-c3ccccc3)no2)c1 1875359897 SLYQLAUBJRVIRN-UHFFFAOYSA-N 332.356 3.590 0 50 EHAA CCCc1nnc(N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)s1 2100545698 YZKCECYRGOEEAZ-JKSUJKDBSA-N 329.469 3.847 0 50 EHAA O=C(Nc1cc(Cc2ccccc2)ccn1)c1n[nH]cc1C(F)(F)F 2325822568 BYWLHVJLNRIROQ-UHFFFAOYSA-N 346.312 3.667 0 50 EHAA Cc1ccc(N2CCC[C@@]3(CCCN3Cc3ccc(C)cn3)C2=O)cc1 2356167968 KITYADJGXBEPJI-QFIPXVFZSA-N 349.478 3.860 0 50 EHAA O=c1[nH]nc(SCc2cccc(Oc3ccccc3)c2)c(=S)[nH]1 83927 BFQPTGRBCMFXOK-UHFFFAOYSA-N 343.433 3.912 0 50 EHAA CSc1ncc(Oc2c3ccccc3nc3c2c(C)nn3C)cn1 408142 STTJDWPDNMTQIV-UHFFFAOYSA-N 337.408 3.734 0 50 EHAA O=C(Cc1ccccc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 447749 RDDOPAZCZJDRDU-UHFFFAOYSA-N 346.365 3.741 0 50 EHAA CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCC3)cc1 460473 LDHBDVOOMXEXKQ-UHFFFAOYSA-N 345.420 3.674 0 50 EHAA Cc1ccc(CNC(=O)COc2ccc(C)cc2Br)cc1 461904 RMXODSXDNOYHGA-UHFFFAOYSA-N 348.240 3.761 0 50 EHAA Cc1ccc(-c2ccc(S(=O)(=O)NCc3ccccn3)cc2)cc1 465808 IGBWHUMKZRTNDV-UHFFFAOYSA-N 338.432 3.536 0 50 EHAA C[C@@H](Nc1nc(N2CCOCC2)nc2ccccc12)c1ccccc1 568538 XHYVKNDONGWIHK-OAHLLOKOSA-N 334.423 3.640 0 50 EHAA COC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cccs2)c1 1431505 URYNBEIBOQDBBB-UHFFFAOYSA-N 344.436 3.777 0 50 EHAA Cc1nn2c(NC[C@@H]3CCCO3)c3c(nc2c1-c1ccccc1)CCC3 2359860 TWSWMYGKRGBQJT-INIZCTEOSA-N 348.450 3.784 0 50 EHAA Cc1cccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)c1 4842978 WLXSYJWBJDTIGA-UHFFFAOYSA-N 335.432 3.978 0 50 EHAA CCOC(=O)C(CCCCCOc1ccccc1F)C(=O)OCC 4950527 SJYWMMJHFLHREE-UHFFFAOYSA-N 340.391 3.507 0 50 EHAA COc1cc(NC(=O)c2onc(C)c2Cl)c(OC)cc1Cl 5006991 JKRWSZILDCLOLF-UHFFFAOYSA-N 331.155 3.559 0 50 EHAA Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@@H](c1ccccc1)C2 9096280 WJLJHGZJBSHZIR-HNNXBMFYSA-N 342.402 3.970 0 50 EHAA CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(N)=O 9867031 LAKCGLYEUMUMMG-KGLIPLIRSA-N 340.423 3.705 0 50 EHAA CSc1cccc(NC(=O)Nc2ccc(Cn3cncn3)cc2)c1 9875346 AONRMMNXBSGDDH-UHFFFAOYSA-N 339.424 3.692 0 50 EHAA Cn1cc(Cl)c([C@@H]2CCCCCN2C(=O)c2ccccc2F)n1 12119591 ZBZNZCRUOXGTFZ-HNNXBMFYSA-N 335.810 3.970 0 50 EHAA CCCC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1 12709821 JVTFZBOHKZHMSW-FQEVSTJZSA-N 334.504 3.598 0 50 EHAA Cc1ncc(C)c(-c2cccc(-c3ccn(CCn4cccn4)n3)c2)n1 19300637 IYSYFASPXGWHCO-UHFFFAOYSA-N 344.422 3.521 0 50 EHAA Cc1ccc2c(=O)n(CC[C@H]3CCCCN3C(C)C)cnc2c1C 32573450 PWAVOEVOHDVBFV-QGZVFWFLSA-N 327.472 3.666 0 50 EHAA Cc1ccccc1[C@@H](CC(=O)NCc1cnn(C)c1C)c1ccccc1 39455624 SOAKJQFWPRHKKX-NRFANRHFSA-N 347.462 3.875 0 50 EHAA O=C(CCc1cccnc1)N(Cc1ccccc1)Cc1nccs1 55042635 IEHVQRAAJKGSEG-UHFFFAOYSA-N 337.448 3.700 0 50 EHAA CCOc1ccccc1CN(CC)c1nc(C)nc2oc(C)nc12 55325489 GJLSNBDWWBOXLV-UHFFFAOYSA-N 326.400 3.660 0 50 EHAA COCCN(Cc1cccs1)Cc1coc2ccc(C)cc2c1=O 55414751 LYRDDMWBVVVAIC-UHFFFAOYSA-N 343.448 3.812 0 50 EHAA COc1cc2c(cc1[C@H]1CC(=O)Nc3c1c(C(C)C)nn3C)CCC2 65453774 LQDUNWSXNZJDGG-OAHLLOKOSA-N 339.439 3.515 0 50 EHAA Cc1[nH]cnc1CN1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 72423273 BKLVWTSGPHKXOA-OAQYLSRUSA-N 338.499 3.596 0 50 EHAA C[C@@H](c1nccs1)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 72478494 OGJACYHOSIQAMQ-ZDUSSCGKSA-N 332.469 3.680 0 50 EHAA CN(C)C(=O)c1ccc(-c2cc(NC3CCCC3)nc3[nH]ccc23)o1 72481038 CCWYHCBHJMFRGT-UHFFFAOYSA-N 338.411 3.879 0 50 EHAA Cc1ccc(-c2ccc(-c3nccn3CCCn3cnnc3)o2)cc1 82087415 ROISVOQRTRQDHC-UHFFFAOYSA-N 333.395 3.800 0 50 EHAA O=C(CCc1ccc(-c2cccs2)o1)N1CCC[C@@]2(CCOC2)C1 91575410 YHNRPHJATHVOIH-LJQANCHMSA-N 345.464 3.970 0 50 EHAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cn2ccsc2n1 91625937 FPPYRDMFMMRRMV-UHFFFAOYSA-N 339.342 3.687 0 50 EHAA O=C1C[C@@H](Cc2ccccc2)CN1Cc1cncn1Cc1ccccc1 95527862 ADCKKDNBSUAWLR-HXUWFJFHSA-N 345.446 3.523 0 50 EHAA CN(Cc1ccncc1)C(=O)c1cc2c(Br)cccc2[nH]1 124014868 MPUWNIVRVPTNQA-UHFFFAOYSA-N 344.212 3.598 0 50 EHAA Cc1ccnc([C@@H](Nc2nc(C)nc3scc(C)c23)C2CC2)n1 128616815 NFZTXDJLJFPEJK-AWEZNQCLSA-N 325.441 3.970 0 50 EHAA CC[C@H](NC(=O)[C@@H](N)CC(C)C)c1ccc(OC2CCCC2)cc1 170677672 SDVGMVDVKJFBGU-OALUTQOASA-N 332.488 3.949 0 50 EHAA C[C@H](c1ccccc1)N1CCC(NC(=O)c2cc(C3CC3)on2)CC1 172296044 GBLJLXSGVZCWFG-CQSZACIVSA-N 339.439 3.507 0 50 EHAA Cc1nc2ccc(NC(=O)N[C@H]3CCN(CC4CCCC4)C3)cc2o1 174812385 ULVBSFKNMLDDEY-INIZCTEOSA-N 342.443 3.522 0 50 EHAA O=C(CCc1cccs1)N1CC2(CCOCC2)c2ccccc21 189813224 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0 50 EHAA Cc1ccc2[nH]c([C@@H]3CCCN(Cc4ccc(C(=O)O)cc4)C3)nc2c1 263562895 CZSXSXXYBQCQKB-QGZVFWFLSA-N 349.434 3.949 0 50 EHAA CSc1ccc(C2(CO)CCN(C(=O)OC(C)(C)C)CC2)cc1 263623483 HVKZMOLFWKMAKQ-UHFFFAOYSA-N 337.485 3.670 0 50 EHAA CN(C)[C@@H]1CCCN(C(=O)Nc2ccccc2OC2CCCC2)CC1 277223224 XXVMZQWXIBNFAZ-MRXNPFEDSA-N 345.487 3.956 0 50 EHAA COC(=O)[C@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2ccc(F)cc2)CC1 280678424 QJXSOSDNNYIJLZ-BQFCYCMXSA-N 347.430 3.859 0 50 EHAA CCn1ccnc1[C@H]1CCCCN1C(=O)c1csc(CC(C)C)n1 366663840 NZGVARLJBNEZOR-OAHLLOKOSA-N 346.500 3.925 0 50 EHAA Cn1ncc2c1CCCN(Cc1ccc(-c3ccncc3)cc1F)C2 414471568 LWXFRJUDXASWFM-UHFFFAOYSA-N 336.414 3.570 0 50 EHAA CC(C)Cc1ncc(NC(=O)NCCc2ccnc3ccccc23)cn1 666963412 IZRMFOFOXNQQHI-UHFFFAOYSA-N 349.438 3.588 0 50 EHAA CCCCc1ccc(C(=O)N[C@H](C(=O)NCCC(C)C)C(C)C)cc1 670417827 MSIAENJIPLTWDA-IBGZPJMESA-N 346.515 3.946 0 50 EHAA c1ccc(OCCn2ccnc2)c(CN2CCC3(CCCC3)C2)c1 670438889 WBZYQMNJOGVNLX-UHFFFAOYSA-N 325.456 3.728 0 50 EHAA O=C(N[C@@H]1CC=C(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 685944990 NCPGXDCNFMQHSH-CQSZACIVSA-N 349.386 3.699 0 50 EHAA COc1ccc(-n2cccn2)c(CN2CCC[C@@H]2c2cccnc2)c1 824628645 UWWOAHLADNFWMT-LJQANCHMSA-N 334.423 3.613 0 50 EHAA COc1ccc(S[C@H](C)C(=O)OCc2ccncc2Cl)cc1 842852095 PERQRZCPGAZLMT-LLVKDONJSA-N 337.828 3.968 0 50 EHAA CC1(C(=O)N2CCCN(Cc3ccc(-c4cccnc4)cc3)CC2)CC1 1529155160 PBASIGVDXCKOGW-UHFFFAOYSA-N 349.478 3.583 0 50 EHAA O=C(CCCc1ccc(F)cc1)N1CCC(c2ccnc(O)c2)CC1 1772817102 HQYPBETWFBYYPR-UHFFFAOYSA-N 342.414 3.655 0 50 EHAA Fc1ccc(Cn2cc(OCc3conc3C3CCC3)cn2)cc1 1875327841 MSISVHQUIKGODC-UHFFFAOYSA-N 327.359 3.905 0 50 EHAA Cn1ncc(NC(=O)[C@H]2CCOc3ccc(Cl)cc32)c1C(F)F 2325735414 WXPXRTGXFZBWNT-VIFPVBQESA-N 341.745 3.516 0 50 EHAA Cc1nc2c(s1)CCC[C@H]2CNCc1cc2ccccc2nc1O 2325740728 FSVJUIVNHKESJM-AWEZNQCLSA-N 339.464 3.915 0 50 EHAA Cc1cccc2c1OC[C@@H](NCc1ccc(-n3cnc(C)c3C)cc1)C2 2325858936 HHKCDQVEBQSISC-FQEVSTJZSA-N 347.462 3.891 0 50 EHAA CN(C)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc21 241449 RTXRYXVOIBDWFR-UHFFFAOYSA-N 342.830 3.504 0 50 EHAA C[C@H]1C[C@H](NC(=O)c2cncc(Br)c2)CC(C)(C)C1 860173 OAIGEWRXTPQJMC-GWCFXTLKSA-N 325.250 3.789 0 50 EHAA O=C(O)COn1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cc21 2508520 DUIXFEGMIVJRMF-UHFFFAOYSA-N 337.162 3.523 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc2ccccc2c1 2572730 RKULNBHGHIPRGC-MRXNPFEDSA-N 329.396 3.750 0 50 EHAA CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)N=C1S 4725648 WNTHALUWFGDVKG-YBEGLDIGSA-N 342.395 3.503 0 50 EHAA CCCN1CCC(NC(=S)Nc2cc(Cl)ccc2OC)CC1 5041684 NKTJDALMPWMTHT-UHFFFAOYSA-N 341.908 3.509 0 50 EHAA CN(Cc1ccncc1)C[C@H]1CCCN(CCc2ccccc2F)C1 12308513 GULZGAYLUZLDOY-LJQANCHMSA-N 341.474 3.607 0 50 EHAA Cc1ccc(OC[C@@H](O)Cn2c(C3CC3)nc3ccccc32)c(C)c1 16903735 OLJJPTPADNOTJG-KRWDZBQOSA-N 336.435 3.970 0 50 EHAA COc1ccccc1-c1nnc(NC(=O)Nc2ccc(F)cc2)s1 17145666 FUIXICSLDDYSCC-UHFFFAOYSA-N 344.371 3.997 0 50 EHAA O=C1C[C@@H](c2ccc(F)c(F)c2)c2ncn(-c3cccc(F)c3)c2N1 40267032 OVFVDQKGJMYEDI-ZDUSSCGKSA-N 343.308 3.764 0 50 EHAA Cc1ncsc1CCC(=O)NCc1ccc(-c2ccccn2)s1 65526012 PFTUNHGIAIBIFE-UHFFFAOYSA-N 343.477 3.824 0 50 EHAA Cc1ccc(-c2nc(C(C)C)nn2-c2cccc3cccnc23)c(=O)[nH]1 67725019 NNPDZGWYSUNUBJ-UHFFFAOYSA-N 345.406 3.603 0 50 EHAA Cc1cc(C)n(-c2cccc(-c3nccn3CCc3cccnc3)c2)n1 71753293 YPDDAGZENXDWPQ-UHFFFAOYSA-N 343.434 3.990 0 50 EHAA CC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C)c(C)c2)CCN1C(C)C 72421552 DMQQWASBKKNCKB-HXUWFJFHSA-N 340.515 3.998 0 50 EHAA Cc1nc(CN2CCC[C@@H](C(=O)c3ccccc3)C2)c2ccccn12 72447219 XWSIJZYKLJIQNL-GOSISDBHSA-N 333.435 3.738 0 50 EHAA Cc1cc(C)n(Cc2ccc(C(=O)N(C)C3CCSCC3)cc2)n1 72479400 JUWVLPVKIMADRB-UHFFFAOYSA-N 343.496 3.516 0 50 EHAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCCC[C@H]1c1cccnc1 97137324 LGJICSZQPLJQDS-SFHVURJKSA-N 332.407 3.839 0 50 EHAA Fc1ccc([C@H]2C=C(c3ccc(F)c(F)c3)Nc3ncnn32)cc1 100716203 ULAFEGBGAIOAQL-MRXNPFEDSA-N 328.297 3.751 0 50 EHAA CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@H](c2ccc(Cl)cc2)NC(=O)N1 101832298 FYUSETWRSLPLMK-JJMVLAAESA-N 348.830 3.700 0 50 EHAA Cc1oc(-c2cccs2)nc1CN1CC[C@H](Oc2cccnc2)C1 152521141 AMNAARXJURWWGQ-HNNXBMFYSA-N 341.436 3.760 0 50 EHAA Cc1cc(C2=N/C(=C\c3csc(-c4ccco4)n3)C(=O)O2)c(C)o1 170593850 QBEYGJWFFSLRFJ-QPEQYQDCSA-N 340.360 3.957 0 50 EHAA CCOC(=O)c1ccsc1NC(=O)N1CCC[C@H]1c1ccncc1 175136757 VAIYASWQFSLUPM-AWEZNQCLSA-N 345.424 3.689 0 50 EHAA Cc1ncc(C(=O)Nc2cc(Cl)cc(C(=O)O)c2)c(C(C)C)n1 192888190 DKYBMVWIXLDCEY-UHFFFAOYSA-N 333.775 3.512 0 50 EHAA Cc1ccsc1CN1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccc1 216423751 MKYOJQBUYNSFDB-MSOLQXFVSA-N 340.492 3.680 0 50 EHAA Cc1nc2c(s1)[C@H](N(C)CN1C(=O)[C@H]3CCCCCC[C@@H]31)CCC2 225413102 GTIQTGGJLKAAGW-BHYGNILZSA-N 347.528 3.899 0 50 EHAA c1ccc(-c2[nH]nnc2-c2nc(-c3cc4ccccc4o3)no2)cc1 225509309 CSVCXQBZASDTOD-UHFFFAOYSA-N 329.319 3.935 0 50 EHAA O=C(O)CC[C@H]1CCCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1 238018685 FAICWBVEFUUSEK-LLVKDONJSA-N 334.803 3.538 0 50 EHAA CS[C@@H]1CC[C@H](NC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)C1 241926440 UGFDQKVXVUIERT-NIOBXDJOSA-N 340.533 3.791 0 50 EHAA CCS(=O)(=O)c1ccc([C@H](C)NC(=O)CC2=CCCCC2)cc1 285448773 PYVOHMSTQCUZPK-AWEZNQCLSA-N 335.469 3.548 0 50 EHAA CCc1nc(C(C)C)ccc1C(=O)NC[C@H](C)c1c(C)noc1C 293705401 YIOBBOUNVNFBIX-LBPRGKRZSA-N 329.444 3.906 0 50 EHAA COc1ccc(CNC[C@H]2CCO[C@@H]2c2ccccc2)cc1OC 328638869 WQWVTRMLUATNLS-YLJYHZDGSA-N 327.424 3.571 0 50 EHAA Cc1oc2ccccc2c1CN(Cc1cccnc1)C[C@@H]1CCNC1 328655620 YOJAKPFXAWYEIW-GOSISDBHSA-N 335.451 3.748 0 50 EHAA Cc1ccc(NC(=O)NC[C@@H]2CCCN2C2CCCCC2)c(C)n1 333012348 BMQPHYUJGIWIPU-KRWDZBQOSA-N 330.476 3.617 0 50 EHAA COc1cnccc1[C@@H](C)NC(=O)N1CCC=C(c2ccccc2)C1 375230856 WDVHJLVORXRFHC-OAHLLOKOSA-N 337.423 3.650 0 50 EHAA COc1ccc(-c2ccc(C(=O)NCC[C@H](C)OC)cc2)c(F)c1 426405803 UZUFYSYCFFJZKX-ZDUSSCGKSA-N 331.387 3.656 0 50 EHAA COCCCCCC(=O)N[C@H](c1ccncc1)c1ccc(C)cc1 670421760 SWCWECCNFZWCER-FQEVSTJZSA-N 326.440 3.802 0 50 EHAA O=C(Nc1ccc(OCCCc2ccccc2)cc1)[C@@H]1CCCO1 828108294 TWSOGTCLQRVMDJ-IBGZPJMESA-N 325.408 3.816 0 50 EHAA COc1ccc([C@@H](NC(=O)c2oc(C(=O)O)cc2C)C2CCC2)cc1 911063412 VQASOLBJPDFDRV-INIZCTEOSA-N 343.379 3.566 0 50 EHAA CCCc1nc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2C)cs1 952984353 KQHWOSCWZQIBHJ-UHFFFAOYSA-N 345.468 3.795 0 50 EHAA CC[C@@H](C)C(=O)Nc1cccc(C(=O)NCc2cnc(C)c(C)c2)c1 952987818 GVYOPODRINQBRL-CYBMUJFWSA-N 339.439 3.613 0 50 EHAA O=C(NCc1ccc(-c2cnc[nH]2)cc1)c1cccc2ncccc12 1299921971 NAVPHVBCOSXBNQ-UHFFFAOYSA-N 328.375 3.555 0 50 EHAA Cc1cccc(OCC(=O)N(C)Cc2ccc3ncccc3c2)c1C 1506407605 KJJBKHGFTBISCH-UHFFFAOYSA-N 334.419 3.889 0 50 EHAA Clc1cccc(N2CC[C@@H](CNC3CSCCSC3)C2)c1 1506410876 YFHNJFCOHYQKQJ-ZDUSSCGKSA-N 342.961 3.605 0 50 EHAA COc1ccc(NC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)cc1Cl 1704335298 MSIMIUPSLVDYHL-NVXWUHKLSA-N 338.835 3.508 0 50 EHAA Cc1nnsc1[C@H](C)NCc1cc(Cl)c2c(c1)OCCCO2 1875272613 SVPLJBXQIAQDCX-VIFPVBQESA-N 339.848 3.512 0 50 EHAA O=C(Cc1cccc2c1[nH]c1ccccc12)OC[C@@H]1[C@@H]2CCOC[C@H]21 1875315583 AADCYWCBWHLKFG-ZTFGCOKTSA-N 335.403 3.689 0 50 EHAA C[C@@H](CCO)N1CCC(C)(c2ccc(Br)cc2)CC1 1875334300 IUWKGWSBSCHFGH-ZDUSSCGKSA-N 326.278 3.574 0 50 EHAA CCc1ccc(CC)c(C(=O)COc2ccc(C(N)=O)cc2Cl)c1 1875359544 ICRMOJIAXKQPPC-UHFFFAOYSA-N 345.826 3.825 0 50 EHAA O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCCN(c2cnccn2)C1 2325744394 ZWHHXYKUPDTDSM-INIZCTEOSA-N 348.406 3.592 0 50 EHAA CCCOc1ccc(C(=O)NC2CC3(CCNCC3)C2)cc1C(C)C 2325840693 LUGBOWHQXAIGHA-UHFFFAOYSA-N 344.499 3.861 0 50 EHAA C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NCc1ccnc2[nH]ccc12 2325861239 KGBYDWSZPIREGK-LFUKPOHLSA-N 348.494 3.809 0 50 EHAA Cc1cc(=O)oc2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc12 313008 HZKVCJFGWRDJOJ-UHFFFAOYSA-N 343.766 3.772 0 50 EHAA biogenic CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 452314 ZVNALIGEZLJQPC-UHFFFAOYSA-N 345.443 3.799 0 50 EHAA CC(C)NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 4697012 CBPYXHFHCCFJMW-SFQUDFHCSA-N 342.826 3.636 0 50 EHAA Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)c1ccco1 11842886 RKRYKAVBNHKNJG-ZDUSSCGKSA-N 342.443 3.638 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 12138667 WRBPRWMBAQXIHO-CQSZACIVSA-N 326.396 3.750 0 50 EHAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2c[nH]c(C)n2)C1 15066508 DDGAMMBSOZEZER-AWEZNQCLSA-N 329.469 3.535 0 50 EHAA O=C(Cc1ccccc1F)Nc1ccc(C(=O)N2CCCCC2)cc1 16604009 QKKRYRAYSOSBHO-UHFFFAOYSA-N 340.398 3.633 0 50 EHAA CCOC(=O)N1CCN(CC(c2ccccc2)c2ccccc2)CC1 19634850 NNWZFKVGMPTAGD-UHFFFAOYSA-N 338.451 3.593 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(F)cc2)cc1C 20399289 OEYCFIYEGAJLNO-GOSISDBHSA-N 340.398 3.686 0 50 EHAA CCC[C@H](C)N(CC)Cc1ccccc1-c1nc(C)c(F)c(=O)[nH]1 63857300 RDWYKWYTPXZXLI-ZDUSSCGKSA-N 331.435 3.895 0 50 EHAA CCCN(CCC)Cc1ccc(C(=O)NCc2c(C)noc2C)cc1 65431840 UPLNLHXDWNFBPL-UHFFFAOYSA-N 343.471 3.843 0 50 EHAA CN(C)CCCc1nc(C2CC2)nn1-c1ccc(C(F)(F)F)cc1 65534958 DVNJQPUAABTATN-UHFFFAOYSA-N 338.377 3.658 0 50 EHAA O=C(CCNCc1cccc2[nH]ccc12)N1CCCc2ccccc21 67771378 ZKPIHSBHAPBLED-UHFFFAOYSA-N 333.435 3.627 0 50 EHAA O=C(c1ccc[nH]1)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 67880909 VMXDTCUVHACRMS-AWEZNQCLSA-N 338.386 3.564 0 50 EHAA CC[C@@]1(O)CCCN(Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 71715047 YTCHXBKXAFMTNI-LJQANCHMSA-N 348.418 3.535 0 50 EHAA Cc1cc(C(=O)N[C@@H](C)Cc2cncs2)c2ccc(C)c(C)c2n1 77428874 HJASNCYAEURPRS-LBPRGKRZSA-N 339.464 3.978 0 50 EHAA CCc1ccccc1CN1CCC2(CC1)Nc1ccccc1NC2=O 82115321 FPNSVDKSBHPHBO-UHFFFAOYSA-N 335.451 3.648 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 91679035 PVWQQHNWQYGWCR-SFHVURJKSA-N 348.450 3.714 0 50 EHAA CCCOc1c(Cl)cccc1NC(=O)N(C)C[C@@H]1CCOC1 95499069 LBLWVFORZCCFQI-LBPRGKRZSA-N 326.824 3.629 0 50 EHAA COC(=O)c1ccc(-c2cccc(C(=O)NC3CC3)c2)cc1Cl 97757201 CWRTYDGZCLHIEM-UHFFFAOYSA-N 329.783 3.686 0 50 EHAA O=C(c1nccc2ccccc12)N1CCO[C@@]2(CCc3ccccc32)C1 158530104 FLQCCMSWDVLPNI-QFIPXVFZSA-N 344.414 3.549 0 50 EHAA CC(C)C(=O)NC1CCN(c2ccnc3cc(Cl)ccc23)CC1 170633015 XMEZNTWYUGFBCB-UHFFFAOYSA-N 331.847 3.629 0 50 EHAA Cc1cccc([C@H]2CCCN2CCOc2ccccc2C(=O)O)c1 183914750 NLVYRQNOYNQBBV-GOSISDBHSA-N 325.408 3.909 0 50 EHAA COCC1=CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)CC1 185374145 HECWEMOHZRNYQV-UHFFFAOYSA-N 343.452 3.544 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc([C@H]2C[C@@H]2C)o1 190424285 GVUNRNNFCPEDJA-MBGYTDRXSA-N 329.444 3.629 0 50 EHAA O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CCSc2ccncc21 191969819 SEDHCDLSEYRQIN-CRAIPNDOSA-N 340.448 3.688 0 50 EHAA Cc1cc(NC(=O)c2ncncc2Cl)ccc1Oc1ccncc1 193696584 JKDFEIHDJWUNCA-UHFFFAOYSA-N 340.770 3.878 0 50 EHAA CC(=O)c1cc(CN(C)[C@H](C)c2ccc3c(c2)OCCO3)cs1 216139157 HSZRRPMEHJBHLB-GFCCVEGCSA-N 331.437 3.915 0 50 EHAA CC(C)(C)OC(=O)N[C@](C)(C(=O)O)c1ccc(C(F)(F)F)cc1 226767548 GPFNKBKJPQHOEF-AWEZNQCLSA-N 333.306 3.530 0 50 EHAA O[C@H](CN1CC[C@@H](c2ccccc2)C1)c1ccc(OC(F)F)cc1 229719785 FMZGXERDRMQOEO-SJLPKXTDSA-N 333.378 3.811 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1cc(F)ccc1F 229890196 KAEWQPOVWLJIJJ-NSLUBLRVSA-N 335.350 3.597 0 50 EHAA O=C(c1ccccc1)[C@@H]1CCCN(Cc2cc(-c3cccnc3)no2)C1 244742152 OCRLNGPJRXLOLP-GOSISDBHSA-N 347.418 3.832 0 50 EHAA O=C(NC[C@@H]1CCCCCN1)c1cc(N2CCCCC2)ccc1Cl 244763933 OYDBBMILMRHMRS-HNNXBMFYSA-N 349.906 3.592 0 50 EHAA COCc1ccc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)cc1 252478626 AQNKBVGTWPAUFL-UHFFFAOYSA-N 341.411 3.615 0 50 EHAA CC(C)C(=O)N1CCCN(C(=O)Nc2ccc(C3CCC3)cc2)CC1 253433393 WJKAHPXIBNXHNK-UHFFFAOYSA-N 343.471 3.676 0 50 EHAA CC(=O)c1c(C)cc(C)c(CN2CCC[C@H](CCC(=O)O)C2)c1C 263036044 BSTWKOKGEBWXFN-QGZVFWFLSA-N 331.456 3.891 0 50 EHAA C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cc(C(=O)O)ccn1 263378932 CAQBAXHNUJTCSE-NEPJUHHUSA-N 346.814 3.697 0 50 EHAA CN(C(=O)c1ccc(NCc2csnn2)cc1)C1CCCCC1 284521113 ZCAAENNQIITRFZ-UHFFFAOYSA-N 330.457 3.555 0 50 EHAA COc1ccc(Br)c(C(=O)NCCCC(C)(F)F)c1 295439349 FHTWGBKFXLDFRX-UHFFFAOYSA-N 336.176 3.623 0 50 EHAA O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCC[C@H]1c1noc(C2CC2)n1 299754092 GRFXCQQZMVOVDG-FMKPAKJESA-N 341.386 3.553 0 50 EHAA CC[C@H](C)n1nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1C 332426993 USDHTJAYFJRSFM-AWEZNQCLSA-N 341.455 3.888 0 50 EHAA C[C@H]1Oc2ccccc2[C@H]1NC(=O)Nc1ccc(-c2ncco2)cc1 377545624 UPIWAEBGQGSIGF-PXAZEXFGSA-N 335.363 3.985 0 50 EHAA Cc1c(NC(=O)N[C@@H]2c3ccccc3O[C@@H]2C)cnn1-c1ccccc1 377606517 LUVHBZURJGVKRP-KUHUBIRLSA-N 348.406 3.824 0 50 EHAA CN1CCC2(CC1)Nc1ccccc1-c1nc(C3CCCCC3)nn12 408525750 AGXUCGOWLLNKAZ-UHFFFAOYSA-N 337.471 3.797 0 50 EHAA O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CCCC2)o1 825539289 GWPPXJXAWKTNDV-UHFFFAOYSA-N 332.831 3.501 0 50 EHAA CCc1nc(CNc2ncc3scc(Br)c3n2)co1 848718225 KJHSARMZZNPDGQ-UHFFFAOYSA-N 339.218 3.616 0 50 EHAA CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1scnc1-c1ccc(F)cc1 886041411 RDJQLDXPSUXAPC-HIFRSBDPSA-N 334.416 3.949 0 50 EHAA Cc1ncoc1CNC(=O)N1CCC(C)(C)[C@H](c2ccccc2)C1 896152151 ZVSKCNGCGGCVCF-INIZCTEOSA-N 327.428 3.708 0 50 EHAA O=C(O)CCc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 910254011 FPOYDXOOHOWTMZ-IEBWSBKVSA-N 337.419 3.770 0 50 EHAA CC(C)n1cnnc1[C@@H](C)Nc1nc(-c2ccccc2)nc2c1CCC2 952864610 KQBSSJCZCXCNFI-CQSZACIVSA-N 348.454 3.978 0 50 EHAA Cc1ccc(-c2cc(C(=O)Nc3c(C)cnn3C3CCCC3)n[nH]2)o1 1529133513 NBNMZYHRVWWKJQ-UHFFFAOYSA-N 339.399 3.850 0 50 EHAA C[C@H]1CCCN1c1nnc(-c2ccccc2F)n1C[C@]1(C)CCCO1 1693690697 GRYYSQAVZXMUOT-LIRRHRJNSA-N 344.434 3.642 0 50 EHAA CN(C)C(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2O)cc1 1772818262 BMEUTELAARBDBN-UHFFFAOYSA-N 325.286 3.660 0 50 EHAA Cc1cc(C)c2nc(O)c(-c3nccn3[C@H]3CC[C@@H](N)CC3)cc2c1 1857693339 SEMZBWCUUOUBCY-IYBDPMFKSA-N 336.439 3.863 0 50 EHAA COc1cnccc1[C@@H](C)Nc1cccc(N2CCCCC2=O)c1 1875285656 VDZOGLIBGZQFJH-CQSZACIVSA-N 325.412 3.780 0 50 EHAA Cc1cccc(CN(C)C(=O)c2cc3c(nc4ccccn43)s2)n1 2325736028 JEZRNCYNFRQYBE-UHFFFAOYSA-N 336.420 3.525 0 50 EHAA Cn1nccc1C1CN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 2325824532 FNNYCIAAXJIKQE-UHFFFAOYSA-N 348.406 3.844 0 50 EHAA COC(=O)c1ccc(OC(C)C)c(NCc2ccnc3[nH]ccc23)c1 2325853863 FBLIZHURLOZUBH-UHFFFAOYSA-N 339.395 3.749 0 50 EHAA Cn1nc(C(F)(F)F)cc1-c1ccc([C@H](N)Cc2ccccn2)cc1 2325859200 QVGZSSQQYLSQBU-OAHLLOKOSA-N 346.356 3.743 0 50 EHAA CC1(C)[C@@H](C(=O)Nc2cccc(C(=O)O)c2)[C@@H]1C=C(Cl)Cl 41896 LVQFPCUAPXISCX-CMPLNLGQSA-N 328.195 3.915 0 50 EHAA CCCc1nc2ccccc2n1C[C@@H](O)COC[C@@H]1CC=CCC1 242999 UFMCELMQZANVGK-IAGOWNOFSA-N 328.456 3.723 0 50 EHAA Clc1cccc(-c2nnc3n2N=C(c2ccccc2)CS3)c1 424464 YSHKENMDQGLOPW-UHFFFAOYSA-N 326.812 3.957 0 50 EHAA O=C(O)c1cccc(CSc2nnc(Cc3ccccc3)o2)c1 529173 MRFYYQYSTHLYGO-UHFFFAOYSA-N 326.377 3.651 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C 1067451 GXEHJWDNTODMFG-UHFFFAOYSA-N 325.817 3.848 0 50 EHAA CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1OC)CC(=O)N2 4488941 DTPYDDLRGCMBNN-CQSZACIVSA-N 341.407 3.967 0 50 EHAA CCc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 6714798 XVPAXABLDFKCJC-UHFFFAOYSA-N 327.403 3.742 0 50 EHAA COc1ccc([C@@H]2CC(=O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 55433735 LUPLWIXSMMGDLK-MJWYBRSISA-N 325.408 3.685 0 50 EHAA COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1C 55544071 ZQXRQPTYOWAKSV-UHFFFAOYSA-N 330.859 3.979 0 50 EHAA COc1ccc(-c2cc([C@@H]3CCN(Cc4ncc[nH]4)C3)ccn2)cc1C 65470339 HYGZXXSZUVNTLT-GOSISDBHSA-N 348.450 3.778 0 50 EHAA COc1ccc(-c2cc(C)cnc2-n2cnnc2)c2ccc(C)nc12 67458613 NIGXGEDURFCVKK-UHFFFAOYSA-N 331.379 3.503 0 50 EHAA CCCc1[nH]nc2c1[C@@H](c1c[nH]nc1-c1cc(C)ccc1C)CC(=O)N2 67712578 WLYZNCBYAAEWFV-CQSZACIVSA-N 349.438 3.843 0 50 EHAA COc1ccc(-c2nc(CN(C)CCCO)c(C)o2)c2ccccc12 67756120 PBTLZZCOGCWBQN-UHFFFAOYSA-N 340.423 3.626 0 50 EHAA CN(CC[C@@H]1CCCCO1)Cc1cc2ccc(Cl)cc2[nH]c1=O 67909145 KBAKLLBSCIYWGP-INIZCTEOSA-N 334.847 3.573 0 50 EHAA CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(F)cc1)C2 2469432 AOODQXYCFAXBPW-CYBMUJFWSA-N 329.371 3.942 0 50 EHAA CCc1ccccc1CC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC(C)(C)C)C2 328592069 URLHVAAFFQRMHL-KSZLIROESA-N 343.467 3.513 0 50 EHAA Cc1cc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccc(C)s3)C2)n[nH]1 257366157 LSULFTNAOQMOOZ-KFWWJZLASA-N 329.469 3.598 0 50 EHAA C[C@@H](C(=O)Nc1ccc2c(c1)CNCCO2)c1cc2ccccc2o1 361095974 KSGKVZZNQWJRKZ-CYBMUJFWSA-N 336.391 3.657 0 50 EHAA Nc1ccsc1C(=O)N1CCC[C@@H](CCc2ccccc2F)C1 71662396 NHBSUMYRPRLTER-ZDUSSCGKSA-N 332.444 3.954 0 50 EHAA NC1(c2noc(/C=C/c3cccc(Br)c3)n2)CCCC1 261894248 XTDOPYLOKIQQRH-VOTSOKGWSA-N 334.217 3.731 0 50 EHAA Cc1ccc2c(c1)[C@@H](NCc1ccccc1Cn1cncn1)CCCO2 370669642 OMQKXLZNDLPQLB-FQEVSTJZSA-N 348.450 3.638 0 50 EHAA Cc1cc(C)c(-c2nccn2CC2CCOCC2)c(-n2cccn2)c1 71765247 KOZFZGZWEINQBA-UHFFFAOYSA-N 336.439 3.779 0 50 EHAA C[C@H](NCC1(c2ccc(Br)s2)CCC1)[C@@H]1CCOC1 375894264 CXJMTKALWWDQOG-NWDGAFQWSA-N 344.318 3.947 0 50 EHAA CC(C)(C)n1cnc(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)n1 333952791 CTJWZRATFDHICZ-MRXNPFEDSA-N 338.455 3.791 0 50 EHAA CN(C)CC[C@H]1CCCCN1Cc1cnc(C2CCCCC2)nc1 72453593 SCQWKJGXVBMVQK-LJQANCHMSA-N 330.520 3.831 0 50 EHAA C[C@H](Cc1ccccc1F)C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 242339404 ZHOXQPJZIOHRGK-HYEGPXJVSA-N 333.447 3.546 0 50 EHAA COc1cccc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)c1 223060443 XTQIOQYCQVVQEG-LJQANCHMSA-N 337.419 3.998 0 50 EHAA Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)C2)n[nH]1 229924504 NJJMOYFLHPJGRP-MGPQQGTHSA-N 343.393 3.793 0 50 EHAA CC(C)[C@H](NC(=O)CCc1ccc(N(C)C)cc1)c1cccnc1 223225714 GTRDNVPBZBPOBI-FQEVSTJZSA-N 325.456 3.594 0 50 EHAA CC(C)(NCCn1cnc2ccccc2c1=O)c1cccc(Cl)c1 179600753 HAQGIWOCTNZHHD-UHFFFAOYSA-N 341.842 3.575 0 50 EHAA C[C@@H]1[C@@H](NC(=O)CCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CCC[C@H]1C 239164770 MWGNDDNOVIYOIU-XFZGEKFBSA-N 336.520 3.648 0 50 EHAA CN(Cc1noc2c1CCCC2)C(=O)c1c[nH]nc1C1CCCCC1 91770247 LCALLFSJKCTLFM-UHFFFAOYSA-N 342.443 3.596 0 50 EHAA CCc1ccc([C@H]2COCCN2C(=O)c2cccn2C2CCCC2)o1 182056532 OTCRGNWUPULKKV-GOSISDBHSA-N 342.439 3.972 0 50 EHAA CN(C[C@H]1CCCCO1)C(=O)Nc1ccccc1OC(F)(F)F 299760147 NWOAVOFSFMPRPO-LLVKDONJSA-N 332.322 3.618 0 50 EHAA C[C@@H]1CN(C)CC[C@@H]1NC(=O)Cc1ccc(C2CCCCC2)cc1 1875267672 VOBCQKDVZSWVLY-UZLBHIALSA-N 328.500 3.733 0 50 EHAA OCCN(Cc1cccs1)Cc1cc2ccc(Cl)cc2nc1O 952873179 WOKSGPWHZHQDQW-UHFFFAOYSA-N 348.855 3.650 0 50 EHAA C[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(CCF)C2)c1nc2ccccc2[nH]1 891603399 WLIKWTZEWPCNPU-QEJZJMRPSA-N 344.434 3.936 0 50 EHAA CC(C)[C@@H]1C[C@H](CC(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)CCO1 272826457 WYTGACTUVBMAJL-IZBJGVDFSA-N 345.483 3.816 0 50 EHAA CO[C@@H](C)c1cccc(NC(=O)c2cn(-c3cccc(C)c3)nn2)c1 170727718 FWOUHLXQQDGXSH-AWEZNQCLSA-N 336.395 3.535 0 50 EHAA CCOc1c(F)cccc1C(=O)N[C@@H]1CCCc2c(O)cccc21 190322782 AALIEODUMPLQKG-MRXNPFEDSA-N 329.371 3.737 0 50 EHAA COC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CCC2 475754 HFADNTABYIDCTJ-BQYQJAHWSA-N 333.434 3.737 0 50 EHAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CCN(C1CCCCC1)C2 12315566 FMFXJEPWMCGTQY-NRFANRHFSA-N 344.474 3.973 0 50 EHAA CC[C@H](Oc1ccccc1C)C(=O)N1CCN(c2ccccc2)CC1 13331614 CUUAFEKRWDDLKU-IBGZPJMESA-N 338.451 3.501 0 50 EHAA O=C1N/C(=C/c2cc(Br)cs2)C(=O)N1c1ccccc1 16193439 OTBMAMRLCQLYQZ-KPKJPENVSA-N 349.209 3.608 0 50 EHAA Brc1ccccc1CN1CCN(C[C@@H]2CC=CCC2)CC1 19789357 ZIOLAORBLJUKRC-MRXNPFEDSA-N 349.316 3.923 0 50 EHAA O=C(NCc1ccon1)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 1857530123 FVJNXYPRHQNMFK-RNCFNFMXSA-N 340.210 3.584 0 50 EHAA COc1cccnc1CN1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1857737819 FCGBRBRIGGYSOC-UXHICEINSA-N 326.440 3.688 0 50 EHAA CC(=O)[C@]12O[C@@H]1C[C@H]1[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 118916409 MSGQPOBWYUXEOQ-KWHXHVTNSA-N 332.484 3.727 0 50 EHAA CC(C)(F)C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 128405703 HSQCTPBOBDONIV-UHFFFAOYSA-N 335.766 3.674 0 50 EHAA Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCc4[nH]ncc43)cn2)cc1 134610780 SUSHVUHXQCZQBL-INIZCTEOSA-N 348.406 3.964 0 50 EHAA O=c1[nH]ncc(N2CCC(F)(c3ccccc3Cl)CC2)c1Cl 253426827 YJQGOFXAVXJAQE-UHFFFAOYSA-N 342.201 3.542 0 50 EHAA CN(C)C(=O)c1ccc(NC(=O)c2ccccc2CC(C)(C)C)cn1 829911628 WUXGAVNMWQAWPO-UHFFFAOYSA-N 339.439 3.624 0 50 EHAA CC[C@H]1c2ccccc2CN1C(=O)Nc1c(C)nn(CCOC)c1C 930672739 PGIPRIWBPPKAOX-KRWDZBQOSA-N 342.443 3.645 0 50 EHAA O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 101194 FDOUWHOQTJKHEX-UHFFFAOYSA-N 349.883 3.983 0 50 EHAA COc1cccc2c(CCN[C@@H]3CCCc4scnc43)c[nH]c12 2325777768 BYRSQCJAHKPADA-CQSZACIVSA-N 327.453 3.843 0 50 EHAA O[C@@]1(CNCc2ccc3c(c2)CCCC3)CCc2cc(F)ccc21 2325841821 HCDGOAXXKNTXNR-OAQYLSRUSA-N 325.427 3.628 0 50 EHAA Cc1ccc(C)n1-n1cnc2scc(-c3ccc(F)cc3)c2c1=O 137085 SMVLXIBZSVXCSQ-UHFFFAOYSA-N 339.395 3.994 0 50 EHAA COCc1nc2ccccc2n1Cc1ccc(Br)cc1 246934 XJMHYRAZEXXCPM-UHFFFAOYSA-N 331.213 3.994 0 50 EHAA O=C(N/C(=C/c1cccs1)C(=O)N1CCCCC1)c1cccs1 302071 BIQDQRNUHWPBGQ-WYMLVPIESA-N 346.477 3.593 0 50 EHAA Cc1ccc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 306227 MZQZIWIPPYANLZ-UHFFFAOYSA-N 343.471 3.962 0 50 EHAA O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1 2879789 HKUIEXQYLVRYGS-UHFFFAOYSA-N 344.823 3.923 0 50 EHAA CCCCc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 2993504 IMROBLPXZDVLRX-UHFFFAOYSA-N 328.456 3.974 0 50 EHAA O=C(COc1cccc(Br)c1)Nc1ccc(F)cc1F 6376450 UKOYRJMEFBOYRE-UHFFFAOYSA-N 342.139 3.745 0 50 EHAA CCN(CCO)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 11873916 DPSGBHLDANYYSK-UHFFFAOYSA-N 341.499 3.949 0 50 EHAA CCCN(Cc1nc(Cc2ccccc2Cl)no1)C[C@@H]1CCCO1 12051681 JFAYPLNKUJJVNL-HNNXBMFYSA-N 349.862 3.705 0 50 EHAA COc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2OC)cc1OC 12383684 NCAYAABSLMTOQD-LLVKDONJSA-N 349.814 3.857 0 50 EHAA CCCCc1nc2cc(C(=O)NCC3(O)CCCCC3)ccc2o1 12459685 RHIWNASMQNSIOY-UHFFFAOYSA-N 330.428 3.595 0 50 EHAA Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccoc2)cc1C 12714883 YLIOUYQBGXPSFN-SFHVURJKSA-N 335.407 3.890 0 50 EHAA COc1cccc(-c2nc3c(C)nn(Cc4ccccc4)c3[nH]2)c1OC 20210984 OCOXVSXNYMDWQP-UHFFFAOYSA-N 348.406 3.800 0 50 EHAA C[C@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1nc2ccccc2[nH]1 55134037 GQLYPSOHKZUYHQ-LBPRGKRZSA-N 335.386 3.943 0 50 EHAA CCSc1ncc(CN(C)CCOc2ccccc2CC)cn1 55383652 PAYFRDWNMVGNOV-UHFFFAOYSA-N 331.485 3.662 0 50 EHAA CC(C)c1ccc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)nn1 67872933 VLAIWLCOTPHRQA-UHFFFAOYSA-N 337.402 3.504 0 50 EHAA Cc1ccc(C2=NN(CN3CCCCC3)C(=O)[C@H]3CCCC[C@@H]23)cc1 71782588 AZBSOQZPYUMIOP-MOPGFXCFSA-N 339.483 3.791 0 50 EHAA CCCc1ccc2oc(C(=O)NC[C@H](O)c3cccnc3)c(C)c2c1 77536233 GZXFDWQGHFVRGV-KRWDZBQOSA-N 338.407 3.552 0 50 EHAA CC(C)(C)CC(=O)N1CCC[C@H](c2nccn2Cc2cscn2)C1 95375517 BFRBJNGESKSJGY-AWEZNQCLSA-N 346.500 3.530 0 50 EHAA CCC(=O)NCc1cccc(C[C@@H]2COc3c(cccc3OC)C2)c1 95390794 ZUCBXORYIVGEIN-KRWDZBQOSA-N 339.435 3.515 0 50 EHAA Cc1ccccc1COC1CN(C(=O)c2ccc3ccn(C)c3c2)C1 95498799 GWXRIBAJPXEKKJ-UHFFFAOYSA-N 334.419 3.528 0 50 EHAA CS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 97474980 DZLLTHDHQFEVLA-OAHLLOKOSA-N 349.521 3.672 0 50 EHAA CCOc1c(F)cccc1C(=O)N[C@H]1CCCc2c(O)cccc21 190322801 AALIEODUMPLQKG-INIZCTEOSA-N 329.371 3.737 0 50 EHAA CN(Cc1cnc(C2CCCCC2)nc1)C[C@H](O)c1ccccc1 215492812 JBMUJBUFGYWXDR-IBGZPJMESA-N 325.456 3.690 0 50 EHAA COc1cc2c(cc1OC)CN(Cc1csc(C(C)=O)c1)CC2 219405581 NSDSUQMPKGGVHM-UHFFFAOYSA-N 331.437 3.526 0 50 EHAA Cc1oc(C(C)C)cc1C(=O)N[C@@H](C)c1nc(-c2ccncc2)no1 219585592 CTRDTCCUGFPMPB-NSHDSACASA-N 340.383 3.647 0 50 EHAA Cc1csc([C@@H]2CN(c3ncc(C(F)(F)F)s3)CCO2)n1 241435196 NLPJLKHWQQPYIN-QMMMGPOBSA-N 335.376 3.505 0 50 EHAA C=Cc1ccc(C(=O)Nc2cn(CC)cc(Br)c2=O)cc1 241439938 NNPGSRHYNVHFRW-UHFFFAOYSA-N 347.212 3.526 0 50 EHAA CN1CCC[C@H](CNC(=O)c2ccc(Cl)nc2)[C@H]1c1cccs1 248154534 VEZHBPAPBRQEEP-WBMJQRKESA-N 349.887 3.609 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 257357215 MRURHGKZPVRRKA-LPPQKWGASA-N 330.468 3.982 0 50 EHAA C[C@@H](c1nc(-c2cccs2)no1)N1CCCC[C@H]1Cn1cccn1 257365818 QDPHAJQAFUVOOM-KBPBESRZSA-N 343.456 3.610 0 50 EHAA O=C(c1coc(C2CCOCC2)n1)N1CCC[C@@H]1c1cccc(F)c1 328748979 PWIMUYBKWPUFAS-QGZVFWFLSA-N 344.386 3.685 0 50 EHAA Cc1nn2c(CN[C@@H]3CCOC4(CCCC4)C3)c(C(C)C)nc2s1 329123282 LHUKCJVKQRSXFH-CQSZACIVSA-N 348.516 3.804 0 50 EHAA Cc1nc(-c2ccc(C(=O)N[C@H](c3ncc[nH]3)C(C)C)cc2)cs1 338887563 NQSCREAGPQJWDV-INIZCTEOSA-N 340.452 3.969 0 50 EHAA O=C(N[C@@H]1CCCOc2ccccc21)c1cccc(Cn2ccnc2)c1 372551379 TYTFBHRWSDZIRY-LJQANCHMSA-N 347.418 3.575 0 50 EHAA CCOC[C@H]1CCCCN1C(=O)c1oc2ccccc2c1COC 408520115 IMNMVPDGHSAXCZ-CQSZACIVSA-N 331.412 3.610 0 50 EHAA Cc1nc(-c2ccccc2)oc1C(=O)NC[C@@H](C)CC(F)(F)F 408521088 ICLZGHOZDBAFMC-JTQLQIEISA-N 326.318 3.968 0 50 EHAA CN(Cc1cscn1)C(=O)CSC12CC3CC(CC(C3)C1)C2 584885180 YEZGJWITNOAMSQ-UHFFFAOYSA-N 336.526 3.804 0 50 EHAA O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cnn2ccccc12 675905973 HZEJLESXOIDRJF-QGZVFWFLSA-N 347.418 3.901 0 50 EHAA CCCn1cc(CN2CCC[C@H](C(=O)c3cccs3)C2)c(C)n1 823031260 BSMXJZKOWACWQG-HNNXBMFYSA-N 331.485 3.758 0 50 EHAA CCSc1nc(C)c([C@H](CC)C(=O)NC[C@]2(C)CCOC2)s1 952994452 VEMYXHPXQQYROF-LRDDRELGSA-N 342.530 3.600 0 50 EHAA O=C(NCc1ccc2ncccc2c1)N[C@H](c1ccncc1)C1CC1 1343169410 FNAYXODTFIBIRF-IBGZPJMESA-N 332.407 3.580 0 50 EHAA CCc1nccn1C[C@H](C)NCc1cc(-c2cccc(Cl)c2)no1 1506421442 JNFIOJUXAKUOIF-ZDUSSCGKSA-N 344.846 3.932 0 50 EHAA CSc1cccc(CN(C(=O)[C@H](C)Cn2cccn2)C(C)C)c1 1506424997 AXVKDUDHRCDGDE-OAHLLOKOSA-N 331.485 3.678 0 50 EHAA O[C@H](c1cccs1)C1CCN(c2ncnc3ccccc23)CC1 1704306671 XSSGQJWJLNNYOB-KRWDZBQOSA-N 325.437 3.641 0 50 EHAA CCC[C@H](CC)OC(=O)c1cn2cccc(Br)c2n1 2325874311 HYJUSQPDWGEGQL-JTQLQIEISA-N 325.206 3.832 0 50 EHAA O=C(NCCC1CCCCC1)NCCC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 2325880106 VCDXHJBEQVXQPZ-IGBVOLGGSA-N 348.531 3.977 0 50 EHAA O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@]2(CCc3c[nH]nc32)C1 2356145215 GPMXBYAGRSLYLD-QGZVFWFLSA-N 349.356 3.549 0 50 EHAA COc1ccccc1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 207360 CRHKSKBUUFSXFC-UHFFFAOYSA-N 329.355 3.748 0 50 EHAA CCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1OC(C)=O 407250 OZPWUAPSQDPYDZ-UHFFFAOYSA-N 329.377 3.713 0 50 EHAA biogenic O=C1Nc2c(cnn2Cc2ccccc2)[C@H](c2ccc(Cl)cc2)N1 439295 AXZAZOVXFPTJAZ-INIZCTEOSA-N 338.798 3.809 0 50 EHAA COc1cccc(C(=O)COc2ccc3c(C)cc(=O)oc3c2C)c1 489444 TXPDNCVRRBCRDC-UHFFFAOYSA-N 338.359 3.680 0 50 EHAA biogenic NC(=O)[C@H](Cc1ccccc1)C1=NC2(CCCC2)Cc2ccccc21 4854596 USOWJPOGAZAPQQ-LJQANCHMSA-N 332.447 3.689 0 50 EHAA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2nnc[nH]2)cc1 5685910 QMDCIDVWWGRKRT-UHFFFAOYSA-N 330.432 3.536 0 50 EHAA Cc1ccc(-c2nc(CNC(=O)c3c(C)noc3C)cs2)cc1 6726523 KDMQTOZUODBNFE-UHFFFAOYSA-N 327.409 3.653 0 50 EHAA Cc1ccc(-n2nnc(-c3nnc(-c4ccccc4C)o3)c2C)cc1 11692829 MOXXTZMODWTRGG-UHFFFAOYSA-N 331.379 3.910 0 50 EHAA O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(F)cc1F 12137868 LHNQYTRJWWRADU-HNNXBMFYSA-N 333.334 3.775 0 50 EHAA COc1cccc(CC[C@H]2CCCN(C(=O)c3cscn3)C2)c1 12581769 BVSIAZOAUUPTAD-OAHLLOKOSA-N 330.453 3.637 0 50 EHAA O=C(NCCc1ccc2ccccc2c1)c1cn(C2CCCCC2)nn1 14950412 HACNPCFXHDCYIU-UHFFFAOYSA-N 348.450 3.909 0 50 EHAA Cc1nc(CNC(=O)CSCc2ccccc2Cl)cs1 55053588 MFEDABVMULQHEJ-UHFFFAOYSA-N 326.874 3.655 0 50 EHAA CCCCN(Cc1cccc(OC)c1)C(=O)c1cnn(CC)c1C 55211724 KYIZINWNGODWES-UHFFFAOYSA-N 329.444 3.663 0 50 EHAA CC(C)c1nc(CN2CCc3[nH]cnc3[C@H]2c2cccc(F)c2)co1 67676347 JADXPNGISYIGMW-GOSISDBHSA-N 340.402 3.808 0 50 EHAA Cn1nc(-c2ccccc2)c2c1NC(=O)C[C@@H]2c1cc(C(C)(C)C)[nH]n1 67789268 GWBCYFXCBFAZNB-CYBMUJFWSA-N 349.438 3.582 0 50 EHAA O=C(O)[C@]1(CCCc2ccccc2)CCCN(Cc2ccncc2)C1 71419414 JAYZPFZBNBLMRV-OAQYLSRUSA-N 338.451 3.771 0 50 EHAA O=C1CC[C@]2(CCCO2)CCN1Cc1cc(F)ccc1C(F)(F)F 72121724 VRAKFRLVHQZMEV-MRXNPFEDSA-N 345.336 3.906 0 50 EHAA CC[C@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1cccnc1 72430359 RPCCWMRESNXKKT-INIZCTEOSA-N 336.443 3.979 0 50 EHAA CCCc1nc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)cs1 91943349 WHHMLBBCRNQALJ-UHFFFAOYSA-N 347.459 3.587 0 50 EHAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N(C)[C@@H](C)c3ccncn3)c2c1 92037958 KIXOFGQXNWYKSF-HNNXBMFYSA-N 336.439 3.645 0 50 EHAA CCCCNC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 92045770 XZDZQIAYNJAJOO-OAHLLOKOSA-N 348.397 3.627 0 50 EHAA CC(C)N1CCC(CC(=O)N2CCCC[C@H]2c2ccccn2)CC1 95361411 HHDOXUBVRJCTDF-IBGZPJMESA-N 329.488 3.646 0 50 EHAA Cc1nc2ccc(CNC(=O)Nc3c(C)nn(C(C)C)c3C)cc2[nH]1 97173278 GSLBKZQALNLSAK-UHFFFAOYSA-N 340.431 3.587 0 50 EHAA CCCN(Cc1ccsc1)C(=O)c1cc(-c2ccncc2)n[nH]1 97413331 IFLAHVUWSFKUOX-UHFFFAOYSA-N 326.425 3.586 0 50 EHAA Cc1cnccc1NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 121740718 QDXUDELQPCLKHL-ZDUSSCGKSA-N 331.803 3.729 0 50 EHAA O=S(=O)(Nc1cccc(O)c1F)c1ccccc1-c1ccccc1 127891989 BLKRMLGDBVHTNF-UHFFFAOYSA-N 343.379 3.999 0 50 EHAA O=C(c1ccncc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 131992116 NGAMFBLMQQCSIX-LLVKDONJSA-N 341.358 3.577 0 50 EHAA O=C(Cc1ccc(O)cc1)NCCCO[C@H]1CCCc2ccccc21 133790548 FNFGPGJMDRJUBX-FQEVSTJZSA-N 339.435 3.535 0 50 EHAA C[C@@H](CC(=O)N[C@H](C)c1cccc2ccccc12)N1CCCCC1=O 170607817 FOWYFUNLBLEFJX-JKSUJKDBSA-N 338.451 3.808 0 50 EHAA COC(=O)[C@@H](C)CN(C)C(=O)c1ccc(-c2ccc(C)cc2)cc1F 170622744 QLFHIWRHBCFIOT-AWEZNQCLSA-N 343.398 3.682 0 50 EHAA CCS[C@H](C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(C)C 181804504 SOYCLHILWPTLBT-XHSDSOJGSA-N 343.439 3.689 0 50 EHAA Cc1ncccc1C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 187685408 LODJEGUEMFAGJQ-SJCJKPOMSA-N 330.815 3.646 0 50 EHAA COCc1ccc(NC(=O)NC[C@H]2CCN(C)c3ccccc32)cc1 192497296 FDIFYMQSTJJTED-MRXNPFEDSA-N 339.439 3.578 0 50 EHAA Cc1cc(N2CC[C@@H](OCc3ccncc3)C2)c2cc(F)ccc2n1 192907714 NDZUCVOCVBXUCS-QGZVFWFLSA-N 337.398 3.873 0 50 EHAA Cc1oncc1-c1csc([C@@H](C)CN(C)C(=O)c2ccccc2)n1 194941840 JCMLRCBBOKUDRH-LBPRGKRZSA-N 341.436 3.982 0 50 EHAA CSCc1ccc(C(=O)NCc2nc(C3CCCCC3)no2)o1 222981183 JBLKAHCQAMUWAH-UHFFFAOYSA-N 335.429 3.503 0 50 EHAA Cc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](CCC(=O)O)C1 223667236 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3.845 0 50 EHAA C[C@H](C1CC1)n1cc(NS(=O)(=O)c2cscc2C(F)F)cn1 901917966 YOLGOKALCMWYFH-MRVPVSSYSA-N 347.412 3.654 0 50 EHAA COCc1nccc(NC(=O)N2CCC[C@@H](C)c3ccccc32)n1 931956286 DKRQITOCAQGBLZ-CYBMUJFWSA-N 326.400 3.559 0 50 EHAA O=C(Nc1ccnn1C1CCC1)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 934730905 YHKFCJJXBDGZDF-AULYBMBSSA-N 346.381 3.954 0 50 EHAA CSc1cccc(CN[C@@H]2CCCN(Cc3cccc(O)c3)C2)c1 952863835 XAXDYOHBSUXXFA-GOSISDBHSA-N 342.508 3.868 0 50 EHAA C[C@@H](c1ccccc1)N(C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 952884204 VZYSVIHMLXNSAJ-JSGCOSHPSA-N 338.377 3.596 0 50 EHAA C[C@@H](c1ccncc1)N(C)Cc1cnc(NCc2ccccc2)nc1 952979030 WPHQSDCUXRMUFP-INIZCTEOSA-N 333.439 3.677 0 50 EHAA Cc1ccc(N2CCC(NCCCc3c(C)n[nH]c3C)CC2)cc1 1506418457 YPFCGHJKXRVTPF-UHFFFAOYSA-N 326.488 3.526 0 50 EHAA Cc1cccc(OCCN(Cc2ccccn2)C[C@@H]2CCCO2)c1C 1529184715 FNFKYFDWFFMGAW-FQEVSTJZSA-N 340.467 3.758 0 50 EHAA CC(=O)c1cnc(N2CCC[C@H](c3nc4ccccc4o3)C2)nc1C 1704313036 KSPLQHKJGICNBI-AWEZNQCLSA-N 336.395 3.513 0 50 EHAA 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339.863 3.692 0 50 EHAA Cc1ccccc1-c1cnnc(NCCN2CCCc3ccccc32)n1 11821574 NFEQOBMIHOVNEH-UHFFFAOYSA-N 345.450 3.712 0 50 EHAA O=C1N(CC2CCC2)CCC[C@]12CCN(Cc1ccc(F)cc1F)C2 12005618 DABRHCUUWLNIBV-HXUWFJFHSA-N 348.437 3.579 0 50 EHAA O=C(CCc1cccs1)N1CCO[C@H](CCCc2ccccc2)C1 15067801 PCNJHZYJJZJJOP-GOSISDBHSA-N 343.492 3.931 0 50 EHAA O=C(O)c1ccc(/C=C2\SC(=O)N(c3ccc(F)cc3)C2=O)cc1 15745868 DTKMBEAPTVFZKT-ZROIWOOFSA-N 343.335 3.765 0 50 EHAA CCc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)s1 20617186 XZYUWMYRDNFJAQ-MWLCHTKSSA-N 345.346 3.866 0 50 EHAA c1ccc2c(N3CCCC3)nc(Nc3ccc4c(c3)OCO4)nc2c1 41148253 ZJSMQVJWYBDPQF-UHFFFAOYSA-N 334.379 3.702 0 50 EHAA CC(C)Oc1cccc(CCNC[C@@H]2CCCN3CCCC[C@H]23)c1 63855649 RTNCKZPQAYQZKK-PZJWPPBQSA-N 330.516 3.870 0 50 EHAA CCCCc1cn(C[C@H]2CCCN(C(=O)C3CCCCCC3)C2)nn1 63882252 GTOQQPVTJYMNBK-KRWDZBQOSA-N 346.519 3.830 0 50 EHAA C[C@@H](Cc1cccs1)NCCC(=O)N1CCCc2ccccc21 65403744 SLLUZCKLSAEOFJ-HNNXBMFYSA-N 328.481 3.638 0 50 EHAA 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3.631 0 50 EHAA Cc1sc2nc(CN[C@H]3CCOC34CCCCC4)nc(O)c2c1C 933871139 GLJONQZGMKHLEQ-ZDUSSCGKSA-N 347.484 3.595 0 50 EHAA COc1ccc(NC(=O)C2(C(=O)O)CCCC2)cc1OC1CCCC1 844152108 MASLYRFARMQXLV-UHFFFAOYSA-N 347.411 3.600 0 50 EHAA O=C(OC[C@@H]1CC[C@H](c2ccccc2)O1)c1ncnc2ccsc12 851047121 VBRUURFVJVERKW-DZGCQCFKSA-N 340.404 3.768 0 50 EHAA Cc1cnn(C2CCN(Cc3ccc4ccc(F)c(F)c4n3)CC2)c1 2325760834 RXJYVSCKLMWZED-UHFFFAOYSA-N 342.393 3.855 0 50 EHAA O=S1(=O)CC2(CCCC2)CN1CCCc1cccc2ccccc12 2325825016 ZPJWHUVAXKVTPC-UHFFFAOYSA-N 343.492 3.978 0 50 EHAA CO[C@H](CNC(=O)N[C@@H]1CCc2ccc(F)cc21)c1ccc(C)cc1 2325879463 WGYWIAKNRZFXSX-RTBURBONSA-N 342.414 3.808 0 50 EHAA O=C(Nc1nc2c(s1)CCCC2)c1ccc(Br)o1 75726 WQYVSCOZKKSBGE-UHFFFAOYSA-N 327.203 3.630 0 50 EHAA CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2 145197 ANKZPSQIMCYPIC-UHFFFAOYSA-N 343.448 3.985 0 50 EHAA Cc1ccc(C2=NCC(=O)Nc3ccc(Br)cc32)cc1 275699 KVXRLJHLTJKYKB-UHFFFAOYSA-N 329.197 3.547 0 50 EHAA O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cccs1 471140 NVAZLYXYMBEFKK-UHFFFAOYSA-N 347.248 3.887 0 50 EHAA O=C(C1CCCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 2767946 XAJYRANCGODOKQ-UHFFFAOYSA-N 326.362 3.544 0 50 EHAA O=C(CCc1ccccc1)Nc1ccc(Cl)cc1N1CCOCC1 4858389 OCNHVJZDADGIOD-UHFFFAOYSA-N 344.842 3.748 0 50 EHAA COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 4911585 YLKDOFDRGRVLMX-GFCCVEGCSA-N 347.798 3.840 0 50 EHAA CCOC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 4916901 FGRVNUSKENNNGM-CYBMUJFWSA-N 332.227 3.701 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)n2c(nc3ccccc32)N1 8997540 MSFAWFXBKVJFNT-SFHVURJKSA-N 348.406 3.672 0 50 EHAA OCC1(C[C@@H]2CCCCO2)CCN(Cc2ccc(Cl)cc2)CC1 12591838 ZXLMBWRIMPBXMC-SFHVURJKSA-N 337.891 3.874 0 50 EHAA C[C@@H](CCc1ccccc1)Nc1ccc2nnc(C(F)(F)F)n2n1 14205870 XEROYALVCGMQDU-NSHDSACASA-N 335.333 3.576 0 50 EHAA CCC[C@H](C)c1n[nH]c2c1CN(Cc1c3ccccc3nn1C)CC2 19111508 SIOOWPMUABJFAU-AWEZNQCLSA-N 337.471 3.758 0 50 EHAA COc1ccc(-n2cc(-c3ccnc(NCc4ccoc4)n3)cn2)cc1 19113270 CRVPHVCETKWKSZ-UHFFFAOYSA-N 347.378 3.543 0 50 EHAA Cc1nc(CCN2CCC(Oc3cccc(F)c3)CC2)c(C)s1 20452185 ZVWXOFHHJKDPNK-UHFFFAOYSA-N 334.460 3.985 0 50 EHAA O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ccccc2F)CC1 20495272 SZARIIBBULOYDG-UHFFFAOYSA-N 339.414 3.669 0 50 EHAA Cc1cnccc1-c1cccc(-c2ccn(C[C@@H](O)C(F)(F)F)n2)c1 20536055 WMVJAGIPVXDEGT-QGZVFWFLSA-N 347.340 3.844 0 50 EHAA O=C(NCc1nc(-c2cccs2)no1)Nc1cccc(Cl)c1 36133275 IJWXGSHIYNKVRY-UHFFFAOYSA-N 334.788 3.773 0 50 EHAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 67713253 DNVFLYCRXYYEIG-LBPRGKRZSA-N 328.441 3.535 0 50 EHAA COc1ccc(F)c(-c2nc(Cn3ncc4cccnc43)c(C)o2)c1 67955368 CODNWRIAYGAICO-UHFFFAOYSA-N 338.342 3.591 0 50 EHAA CC(C)c1cc(NCCc2noc(C3CCCC3)n2)n2nccc2n1 72149534 HCXCTEBUPOZIMK-UHFFFAOYSA-N 340.431 3.548 0 50 EHAA COc1ccccc1C1CCN(Cc2cn(-c3ccccc3)nn2)CC1 72159097 KNCKCUDOPFZSPG-UHFFFAOYSA-N 348.450 3.656 0 50 EHAA Cc1nc(CN2CCC[C@@]3(CCCN(Cc4ccccc4)C3)C2)co1 72436292 MEBYCFMKGKMNQR-OAQYLSRUSA-N 339.483 3.861 0 50 EHAA Cc1ncsc1CCC(=O)N(C)Cc1cccc2ncccc12 77337856 QAIWXLWYTNRWJR-UHFFFAOYSA-N 325.437 3.591 0 50 EHAA O=C1CCCN1CC[C@H]1CCCCN1Cc1ccc(F)c(Cl)c1 77538186 OGULGTCNOMRSIM-OAHLLOKOSA-N 338.854 3.846 0 50 EHAA C/C(=C\c1ccccc1)CN1CCC2(CC1)Nc1ccccc1NC2=O 82096259 KMGMCRAFTIUQBQ-BMRADRMJSA-N 347.462 3.989 0 50 EHAA O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[C@@H]1c1cccs1 91820206 WRXSUTIVRYZNJI-OAHLLOKOSA-N 327.384 3.865 0 50 EHAA CCc1n[nH]c(C(=O)N(C)CCCSc2ccc(C)cc2)c1C 97425631 KUYKLUZZQWFMNX-UHFFFAOYSA-N 331.485 3.843 0 50 EHAA CCCCn1nccc1NC(=O)N[C@H](c1cc(C)ccn1)C1CC1 97551442 IALIRMKPVYCJGG-KRWDZBQOSA-N 327.432 3.659 0 50 EHAA CSC[C@H]1CCCN(C(=O)c2nc(-c3ccccc3)[nH]c2C)C1 97632067 KVNIQAKRAKLPJX-AWEZNQCLSA-N 329.469 3.600 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C 131885346 NEVOBNLMSYUNTM-MQIPJXDCSA-N 329.419 3.674 0 50 EHAA O=C(NCCc1cc2ccccc2[nH]1)N1CCC[C@@H]1c1ccncc1 136671940 UHNOJEOSMDVCHL-LJQANCHMSA-N 334.423 3.652 0 50 EHAA CCOc1cc(Cl)ccc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 154957644 FHORUCBNJNFLCN-CYBMUJFWSA-N 344.798 3.803 0 50 EHAA COc1cccc(-c2noc(CCc3ccc(OC)c(F)c3)n2)c1 174866169 CUTTYCNJHZHADF-UHFFFAOYSA-N 328.343 3.678 0 50 EHAA Cc1ncccc1C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 187685388 LODJEGUEMFAGJQ-YVEFUNNKSA-N 330.815 3.646 0 50 EHAA O=C(C1CCC(F)(F)CC1)N1CCO[C@@H](c2ccc(F)cc2F)C1 188408512 YBPJVTIEOKJRBQ-OAHLLOKOSA-N 345.336 3.690 0 50 EHAA CNC(=O)c1ccc(CN(C)Cc2ccc3nc(C)ccc3c2)cc1 189586932 MPGKRKVJXXMNGG-UHFFFAOYSA-N 333.435 3.535 0 50 EHAA CC(C)[C@H](O)CC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 194059457 MCDAUBMNAMHBPZ-ZWKOTPCHSA-N 341.455 3.537 0 50 EHAA Cc1ccc(CN[C@H](C)c2cccc(O)c2)c(-n2cc(Cl)cn2)n1 194967892 NRKJDZPFMXWIFF-CYBMUJFWSA-N 342.830 3.786 0 50 EHAA Cc1cnccc1CNC(=O)c1ccccc1OC(F)(F)C(F)F 219904650 OVNIPXGUXNDHDU-UHFFFAOYSA-N 342.292 3.557 0 50 EHAA Clc1cnc(N2CCn3c(nnc3-c3ccccc3)C2)c(Cl)c1 225821645 YAYRDIALJFNZEA-UHFFFAOYSA-N 346.221 3.667 0 50 EHAA Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCCC23CCOCC3)cs1 240934432 JCADOTPJRFBQRP-HOTGVXAUSA-N 349.500 3.647 0 50 EHAA CC[C@](CNC(=O)c1ccc(Cl)s1)(C(=O)O)c1ccccc1 263139849 ZRFRFPFNFMIMQF-MRXNPFEDSA-N 337.828 3.564 0 50 EHAA Cc1ccsc1CN1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1 275742031 PSTWNGNMWSMFLK-INIZCTEOSA-N 347.553 4.000 0 50 EHAA O=C(NCCc1cccc(Cl)c1)N[C@@H]1CCCC12CCOCC2 282601584 QLQCFIGMHFCGFG-MRXNPFEDSA-N 336.863 3.531 0 50 EHAA O=C(N[C@@H](c1ccccc1)C(F)F)N[C@H](CCCO)c1ccccc1 294140389 GOIKBIVRECXAIR-SJORKVTESA-N 348.393 3.806 0 50 EHAA CC1(C)CN(C(=O)Nc2cc(C3CC3)ccn2)C[C@@H](C(F)(F)F)O1 297323443 HIVZMVSLLGXONG-LBPRGKRZSA-N 343.349 3.533 0 50 EHAA CCCSc1ccccc1NC(=O)NCC12CCCN1CCC2 299795037 KPAZNQAUKWKXTI-UHFFFAOYSA-N 333.501 3.939 0 50 EHAA Cc1csc2ncnc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)c12 334028127 IYFKQBUQCLWKLX-AWEZNQCLSA-N 339.468 3.943 0 50 EHAA Cc1ccncc1CNC(=O)NC1CC(c2cccc(Cl)c2)C1 454562699 IUZDYXSUENAVEY-UHFFFAOYSA-N 329.831 3.789 0 50 EHAA CC(C)(C)c1cnc(NC(=O)c2cccn2Cc2ccncc2)s1 742806865 VZMGFVYCBQWDRM-UHFFFAOYSA-N 340.452 3.938 0 50 EHAA CCSc1ccccc1NC(=O)CCN1Cc2ccccc2C1=O 823426734 SGYRMKIYCXRHBH-UHFFFAOYSA-N 340.448 3.783 0 50 EHAA O=C(c1nc2ccccc2cc1C1CC1)N1CCOC[C@H]1c1ccco1 903454277 AZINFQVJYFETJZ-SFHVURJKSA-N 348.402 3.919 0 50 EHAA CCc1ccc(CN(C(=O)CCn2ccnc2CC)C2CC2)cc1 952970222 TZTUYZPIROSHQK-UHFFFAOYSA-N 325.456 3.589 0 50 EHAA CCCCN(C)C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1 952992064 AAHCPHJYCMPJIE-UHFFFAOYSA-N 341.411 3.842 0 50 EHAA Cc1conc1CNc1ccc(Br)c(C(F)(F)F)n1 1262705592 NBXSAOKLZDCVOJ-UHFFFAOYSA-N 336.111 3.771 0 50 EHAA CSCc1cccc(-c2ccc3[nH]c(C(=O)O)cc(=O)c3c2)c1 1875353492 VBTKBJTYHSHBNG-UHFFFAOYSA-N 325.389 3.756 0 50 EHAA Cc1ccc2c(CCNCc3cn(C)nc3C(F)(F)F)c[nH]c2c1 2325773868 PJUWICSKQNSGLD-UHFFFAOYSA-N 336.361 3.561 0 50 EHAA c1cnc(-c2cc(Nc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)ncn2)nc1 2325789495 UBETYQRIAMXNSF-YOEHRIQHSA-N 344.422 3.666 0 50 EHAA CC(C)(NC(=O)c1csc(Cc2ccccc2)c1)c1ncc[nH]1 2325857474 CMXVZNWFZUZOOK-UHFFFAOYSA-N 325.437 3.727 0 50 EHAA Cc1cc(Br)cc(C)c1OCC(=O)NCc1ccccc1 131282 SVNICXOAUKXHJG-UHFFFAOYSA-N 348.240 3.761 0 50 EHAA CCOc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2C)cc1 361150 VVLWOQCRBJSXPO-UHFFFAOYSA-N 328.437 3.829 0 50 EHAA O=C(Cc1c(Cl)cccc1Cl)N1CCN(c2ccccc2)CC1 372198 FHXVVTOUCRMGSI-UHFFFAOYSA-N 349.261 3.885 0 50 EHAA CCOc1cc(C(=O)NC2CCCCC2)cc(OCC)c1OCC 445515 SNAPKXXKYVHIBF-UHFFFAOYSA-N 335.444 3.945 0 50 EHAA O=C1CCC(=O)N1c1cccc(-c2nc3cc(Cl)ccc3o2)c1 453973 UARJAJYKQZDZHY-UHFFFAOYSA-N 326.739 3.802 0 50 EHAA O=C1O[C@@]2(c3ccc(F)cc3)[C@@H](OC(=O)C23CCCC3)C12CCCC2 467316 PHGYMSVEXAWLCS-YWZLYKJASA-N 344.382 3.624 0 50 EHAA COc1ccc(C)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 2115093 UEINXCZBBKGKQZ-UHFFFAOYSA-N 331.240 3.951 0 50 EHAA CCCCNC(=O)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2C 2295742 XGXPEPKOZRCRCO-UHFFFAOYSA-N 332.400 3.552 0 50 EHAA biogenic c1nc(N2CCN(C3CCCC3)CC2)c2c3c(sc2n1)CCCC3 2996318 AAMNSPYXOLXEGO-UHFFFAOYSA-N 342.512 3.635 0 50 EHAA CCn1c(COc2cccc3cccnc23)nnc1SC(F)F 4304467 NMEMZDLWSWPXSC-UHFFFAOYSA-N 336.367 3.740 0 50 EHAA Ic1ccc(OCCN2CCCCCC2)cc1 4480178 LQDNECYDNQNQOA-UHFFFAOYSA-N 345.224 3.546 0 50 EHAA COc1ccccc1/C=C/c1nn2c(-c3ccoc3C)nnc2s1 4939129 GTBKDUBYCBUJDP-BQYQJAHWSA-N 338.392 3.933 0 50 EHAA O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccco1 8743410 BRYBUDRREMTPLZ-UHFFFAOYSA-N 338.344 3.762 0 50 EHAA COc1ccc(-c2csc(NC(C)=O)n2)cc1Br 9332519 PGKXMGKKTKQTFT-UHFFFAOYSA-N 327.203 3.540 0 50 EHAA COc1ccc(C(=O)[C@@H]2CCCN(C(=O)C3=CCCC3)C2)c(C)c1 12596430 BBKCXTXWNRQRGP-MRXNPFEDSA-N 327.424 3.535 0 50 EHAA Cc1cc(C)c2nc3s/c(=C\c4ccc(Cl)cc4)c(=O)n3c2c1 13286752 GHKBGFJWBCMUTO-DHDCSXOGSA-N 340.835 3.727 0 50 EHAA COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 13746722 YQCDJPJZJYAITC-AWEZNQCLSA-N 326.396 3.973 0 50 EHAA Cc1ccccc1[C@@H](CC(=O)N(C)Cc1ccncn1)c1ccccc1 15064363 ADKVOQUIKMXZBM-NRFANRHFSA-N 345.446 3.966 0 50 EHAA COc1cc(OC)c(OC)cc1CNCCc1ccc(Cl)cc1 19720560 FHCKUEUEKUMMHS-UHFFFAOYSA-N 335.831 3.698 0 50 EHAA CCCn1ncc2[nH]c(-c3cnc(-c4ccccc4OC)s3)nc21 20514863 FPRKWTPYFJAIKZ-UHFFFAOYSA-N 339.424 3.969 0 50 EHAA Cc1nn(C)c(Cl)c1-c1nc2c(cnn2[C@@H](C)c2ccccc2)[nH]1 20781274 XDNDBUIBYFXSKF-NSHDSACASA-N 340.818 3.731 0 50 EHAA c1ccc(CN2CCC[C@@H](Nc3nncc(-c4ccccc4)n3)C2)cc1 23380462 KUXJCPUIHOGROY-LJQANCHMSA-N 345.450 3.615 0 50 EHAA C[C@H](Cc1cccnc1)n1cnc2cccc(C(F)(F)F)c2c1=O 32537134 PCNRZRUOVVSWRY-LLVKDONJSA-N 333.313 3.614 0 50 EHAA CCCSc1ncc(CN[C@@H](C)c2c(C)nn(CC)c2C)cn1 55108380 CKVOOTMUDHAKOE-LBPRGKRZSA-N 333.505 3.663 0 50 EHAA CCCCOc1c(CN2CCC[C@@H]2Cn2cccn2)cccc1OC 55383919 SOWPYXGJAVWLKL-GOSISDBHSA-N 343.471 3.735 0 50 EHAA OC[C@]1(Cc2ccccc2)CCCN(c2noc(-c3ccccc3)n2)C1 67909815 FKIPOGQVCQBGPY-NRFANRHFSA-N 349.434 3.558 0 50 EHAA Cc1cc(Cl)c2oc(C(=O)N[C@H](C)Cc3cnccn3)c(C)c2c1 77505288 UEOKSHCSUQWJOG-LLVKDONJSA-N 343.814 3.854 0 50 EHAA Cc1cccc(C)c1OC1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)C1 82087420 CDACZDYBLPAUFA-UHFFFAOYSA-N 347.418 3.597 0 50 EHAA COc1ccc(CN2C[C@@H]3CC[C@H](C2)N(C(=O)CC(C)(C)C)C3)cc1 92046787 VECSXBYDHNZOKW-ZWKOTPCHSA-N 344.499 3.554 0 50 EHAA Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(C)(C)Cc1ccccc1 117793033 GBXOJAWOGBDFDV-GOSISDBHSA-N 339.483 3.969 0 50 EHAA CCCCN1Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1 170609152 HHQFRAHDHVMNMP-UHFFFAOYSA-N 348.443 3.742 0 50 EHAA COc1cc(C)ccc1NC(=O)NC1CCN(C2CCCCC2)CC1 176318480 VCPWXCVFFZHPHF-UHFFFAOYSA-N 345.487 3.922 0 50 EHAA O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc2ccccc2o1 187669353 WGHCZLPTJFLACA-BLLLJJGKSA-N 341.329 3.646 0 50 EHAA O=C(Nc1ccc(N2CCCCC2)cn1)c1coc(C2CCC2)n1 194319696 UDUXSVZVBUQBNG-UHFFFAOYSA-N 326.400 3.580 0 50 EHAA O=C(c1ccc(-c2cccc(F)c2)cc1)N1CCC[C@@]2(CCNC2)C1 219909311 BDPLFPLCUWJOPA-NRFANRHFSA-N 338.426 3.708 0 50 EHAA O=C(NC1(c2ccc(F)cc2)CCOCC1)c1sccc1Cl 239475379 ANVFJSFQSLTLSJ-UHFFFAOYSA-N 339.819 3.976 0 50 EHAA C[C@@H]1CCN(c2nnc(C3CC3)n2C[C@@H]2CCCCO2)CC1(C)C 240225356 DHJARAWFGKVSGV-ZBFHGGJFSA-N 332.492 3.597 0 50 EHAA CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)c1ncon1 242302098 YPNNXYZILAHQPS-JQWIXIFHSA-N 341.333 3.535 0 50 EHAA c1nc(CN(Cc2cocn2)Cc2cc(C3CCCCC3)no2)co1 244873324 WOEQTIPHJKJAQC-UHFFFAOYSA-N 342.399 3.901 0 50 EHAA CC(C)[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1ccc(Cl)cc1 248234861 MEHLKVRXOKTCJQ-OAGGEKHMSA-N 335.831 3.820 0 50 EHAA CN(CCCn1cccn1)C(=O)CCC(=O)c1cccc2ccccc12 252483765 FHZJHRZGBYXWRP-UHFFFAOYSA-N 349.434 3.548 0 50 EHAA Cc1ccc(F)cc1C(=O)N(CCc1ccccn1)Cc1ccncc1 253426966 JUWAEWVOKUCSTB-UHFFFAOYSA-N 349.409 3.809 0 50 EHAA CCOc1ccc(CC(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1 264182854 ZFJYDRDYTNZRPE-UHFFFAOYSA-N 338.407 3.541 0 50 EHAA CCC[C@]1(CO)CCN(C(=O)c2cc(Cl)c(Cl)cc2OC)C1 290526131 GKTJKTGGZWUJPK-INIZCTEOSA-N 346.254 3.627 0 50 EHAA c1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3C[C@H]3c3cccnc3)o2)cc1 299743503 NVQIPYDWEVFQTE-WNRNVDISSA-N 333.391 3.981 0 50 EHAA Nc1nc(CCC(=O)NC2(c3ccc(Cl)cc3)CCC2)cs1 299789971 ALLCGSBGIOSPBC-UHFFFAOYSA-N 335.860 3.507 0 50 EHAA COc1ccc(CN(Cc2nccn2C(C)C)C[C@H]2CCCO2)cc1 299798914 ULSNNJAWMVZWGK-LJQANCHMSA-N 343.471 3.654 0 50 EHAA CC(C)(C)c1cc(NS(=O)(=O)c2cscc2C(F)F)on1 903605216 CPQSZXMPRBSMLF-UHFFFAOYSA-N 336.385 3.772 0 50 EHAA COc1cccc([C@@H]2CCN2C(=O)CSc2nc(C)cs2)c1 952970535 AQMPZADLYBGQAC-AWEZNQCLSA-N 334.466 3.526 0 50 EHAA CC(C)Cn1cncc1CN(C)Cc1cc(-c2cccs2)n[nH]1 1506400467 NBUPXMVDVUSOJU-UHFFFAOYSA-N 329.473 3.623 0 50 EHAA CCCCN(Cc1ccsc1)C(=O)[C@H]1CC(=O)OC12CCCC2 1506431239 GTUUJDKEBSXMLO-OAHLLOKOSA-N 335.469 3.753 0 50 EHAA Cc1cnn(C2CCCC2)c1NC(=O)CCn1cnc2ccccc21 1529125688 WSCKYCCFZCTUEC-UHFFFAOYSA-N 337.427 3.685 0 50 EHAA O=C(O)c1csc([C@@H]2CCCN(Cc3ccsc3Cl)C2)n1 1875283053 CWOOLEVFCYFVPQ-SNVBAGLBSA-N 342.873 3.936 0 50 EHAA C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NCc1ccnc2[nH]ccc12 2325861237 KGBYDWSZPIREGK-IAGOWNOFSA-N 348.494 3.809 0 50 EHAA CCN(CC)C(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 64669 XZYYNCKUBGLIAR-UHFFFAOYSA-N 346.452 3.954 0 50 EHAA C[C@H](Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)C(=O)O 65011 CTMABIYOLDOKQE-JTQLQIEISA-N 344.750 3.965 0 50 EHAA Cc1oc2ccc(O[C@H](C(=O)O)c3ccccc3)cc2c1C(=O)O 308060 CNBJJORMHDLOTG-INIZCTEOSA-N 326.304 3.644 0 50 EHAA biogenic COc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1OC 367795 NXCMMGNAQGQKQD-UHFFFAOYSA-N 342.178 3.969 0 50 EHAA CCOc1ccc(C(=O)Cc2ccc(OC)c(OC)c2)cc1OCC 440427 DLGLGMNJFRMYNA-UHFFFAOYSA-N 344.407 3.927 0 50 EHAA COc1cc(NC(=O)N2c3ccccc3C[C@@H]2C)cc(OC)c1OC 448450 UQIKNXDVLBZABT-LBPRGKRZSA-N 342.395 3.696 0 50 EHAA CC(=O)Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1Cl 461823 VFKZDSFYKJJPCO-GDNBJRDFSA-N 341.750 3.610 0 50 EHAA COc1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1OC 475211 YQPBXJVRCCFLFZ-UHFFFAOYSA-N 340.206 3.941 0 50 EHAA COc1ccc(-c2nc(SC)n(C(=O)c3ccc(F)cc3)n2)cc1 618496 OITPOHJBRKSJNV-UHFFFAOYSA-N 343.383 3.503 0 50 EHAA COc1cc(/C=C/C(=O)Nc2cc(C)ccc2C)cc(OC)c1OC 860301 IFNWUHVHDRVEGS-CMDGGOBGSA-N 341.407 3.981 0 50 EHAA CN(C(=O)c1ccccc1)[C@@H]1c2c(ccc3ccccc23)OC[C@@H]1CO 1393262 QWXBVIALYCCYET-UWJYYQICSA-N 347.414 3.654 0 50 EHAA C[C@]1(C(=O)Nc2nnc(-c3ccccc3)s2)CC1(Cl)Cl 2103316 MUFLIEIXPWDRGO-GFCCVEGCSA-N 328.224 3.728 0 50 EHAA COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccc(F)cc1 2507398 DIGWWZCEDODOMZ-UHFFFAOYSA-N 327.355 3.773 0 50 EHAA Cc1ccoc1C(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 2532434 SCOVBZRUGCGTKD-UHFFFAOYSA-N 328.315 3.734 0 50 EHAA O=S(=O)(c1ccc2ccccc2c1)N1CCC[C@H](C(F)(F)F)C1 2620235 PINYFNIRAHLUNW-AWEZNQCLSA-N 343.370 3.803 0 50 EHAA CC[C@H]1CCc2c(sc3ncn4nc(-c5ccncc5)nc4c23)C1 2803056 SIIUXTFBNZXLOI-NSHDSACASA-N 335.436 3.916 0 50 EHAA CCOc1ccccc1NC(=O)Cn1c(C)c(C=O)c2ccccc21 4998614 ZLXZOTHZMJRWMG-UHFFFAOYSA-N 336.391 3.800 0 50 EHAA Oc1cccc(N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)c1 6402364 JDQISXJOGSEAEN-UHFFFAOYSA-N 347.871 3.565 0 50 EHAA Cc1ccc2oc(C(=O)NCCc3nc4ccccc4[nH]3)c(C)c2c1 12446624 IMVHRVQPFKWPPG-UHFFFAOYSA-N 333.391 3.898 0 50 EHAA Cc1cc(C)n(CCCNC(=O)c2oc3c(C)c(C)ccc3c2C)n1 12570698 DPPYMFCKLLWGMY-UHFFFAOYSA-N 339.439 3.992 0 50 EHAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 16991265 LKQDFQLSEHWIRK-LTWWKXSESA-N 334.500 3.710 0 50 EHAA CCn1nccc1-c1cc(C(=O)O)c2cc(Br)ccc2n1 17072047 BXZPFHUJBHIWAR-UHFFFAOYSA-N 346.184 3.579 0 50 EHAA CC(=O)c1ccc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)nc1 67727311 SZKILDZSIGEIGU-LEWJYISDSA-N 346.430 3.792 0 50 EHAA Cc1cc(C(=O)N(C)[C@@H](C)Cc2ccccn2)c2ccc(F)cc2n1 67755687 VHORHPKAORUKAD-AWEZNQCLSA-N 337.398 3.781 0 50 EHAA O=C(CCc1ccccc1)[C@H]1CCCN(Cc2cncn2C2CC2)C1 72144443 CGAYDYIWXZQISA-SFHVURJKSA-N 337.467 3.632 0 50 EHAA Cc1ccc(F)cc1NC(=O)N1CCCC[C@@H]1CCN1CCCC1=O 72168737 IYYIQDMEUFDSQG-MRXNPFEDSA-N 347.434 3.533 0 50 EHAA Cc1cc(Cl)c2oc(C(=O)N(C)Cc3cnccn3)c(C)c2c1 77422871 RASWWKMNRLUKLT-UHFFFAOYSA-N 329.787 3.765 0 50 EHAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3ccc4[nH]cnc4c3)C2)cc1 77525455 ILUZUBTYOIVUID-INIZCTEOSA-N 349.434 3.803 0 50 EHAA CCCOC[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2Cl)C1 91255660 FLYBWHDJRIZDKU-GFCCVEGCSA-N 346.254 3.647 0 50 EHAA CC(C)n1cncc1CN1CCC[C@@H](c2cccc(C(=O)O)c2)C1 95363480 XEIPHPULZWUCIB-QGZVFWFLSA-N 327.428 3.542 0 50 EHAA C[C@H](c1ccon1)N(C)Cc1ccc(-c2ccc(C(=O)O)cc2)o1 97259359 GRDHPSWGBZWFFJ-GFCCVEGCSA-N 326.352 3.826 0 50 EHAA c1cncc([C@H]2CN(Cc3ccccc3OC3CCCC3)CCO2)c1 97813709 GWRCZVYKGGUGJI-OAQYLSRUSA-N 338.451 3.977 0 50 EHAA Brc1ccccc1CN1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 101789470 DBMJAGQEOZSSKX-MPGHIAIKSA-N 349.316 3.755 0 50 EHAA O=C(Nc1nnc(C(F)(F)F)s1)[C@@H](c1ccccc1)C1CC1 125974742 RSBGGLBYYHSBMH-JTQLQIEISA-N 327.331 3.689 0 50 EHAA CCOc1ccc2cc(C(=O)N3CCCC[C@H]3C(=O)CC)[nH]c2c1 135979009 JQKJAYDBWIVTLQ-KRWDZBQOSA-N 328.412 3.540 0 50 EHAA CNS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cccc(C)c2C)cc1 151876388 XFCJGVSPPGCBCM-CVEARBPZSA-N 346.496 3.623 0 50 EHAA Cc1cc(CC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)no1 172098448 QOWKDUCEPPPIJD-UHFFFAOYSA-N 338.329 3.736 0 50 EHAA COc1ccc2c(c1)N(C(=O)c1cc3c(s1)CCC3)C[C@H](C)O2 172717247 OOOIXBITTUWNOD-NSHDSACASA-N 329.421 3.673 0 50 EHAA C[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccc2c(c1)CCC(=O)N2 178973672 YXHWOCJYIJAQKD-LLVKDONJSA-N 336.382 3.574 0 50 EHAA CCC(CC)n1nc(C(=O)N[C@H]2CCOc3ccc(F)cc32)cc1C 183545848 YVZXVVFCNQSKRR-INIZCTEOSA-N 345.418 3.945 0 50 EHAA c1cn(CC2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)cn1 216325219 UKNVIJIWHFHDEX-UHFFFAOYSA-N 339.487 3.633 0 50 EHAA Cc1ccc(OC2CCN(C(=O)CSc3ccncc3)CC2)cc1 219395820 NHIOTHFOZLEGRC-UHFFFAOYSA-N 342.464 3.552 0 50 EHAA Cc1cc(C)n(-c2ccccc2CNC(=O)[C@@H]2CCC(F)(F)C2)n1 225460211 KUAHMOVWABFDFN-CQSZACIVSA-N 333.382 3.541 0 50 EHAA FCCn1ncnc1CSc1ncc(-c2ccc(Cl)cc2)o1 225638368 HNCUPLNXGSUQBX-UHFFFAOYSA-N 338.795 3.848 0 50 EHAA CC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@H]3[C@H]2C 239254615 YMPPYMYJLCYPBO-SXQOEVESSA-N 330.424 3.751 0 50 EHAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1 241383480 MVQCVWQGAPPGDT-OWSLCNJRSA-N 325.383 3.610 0 50 EHAA O=C(CC1(n2cccc2)CCCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 253413477 UWJIZZKSAFJHHX-NQIIRXRSSA-N 344.499 3.691 0 50 EHAA O=C(NCCCCc1ccc(Cl)s1)C1CCN(C2CC2)CC1 253416478 DSMQOMLKDOBFJD-UHFFFAOYSA-N 340.920 3.715 0 50 EHAA COCc1nsc(N2CCC(c3nc4ccccc4s3)CC2)n1 253418551 WMBUEVUPNVVFSN-UHFFFAOYSA-N 346.481 3.678 0 50 EHAA COCC[C@@H](NC(=O)c1sccc1Br)c1ccco1 272651690 HCYPVGIREDEJDZ-SNVBAGLBSA-N 344.230 3.611 0 50 EHAA C[C@@H]1C[C@@H](CCNC(=O)c2cc(F)ccc2Br)CCO1 273025654 AGPJQHSMYGOIFG-MNOVXSKESA-N 344.224 3.523 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccc(OC(F)(F)F)cc1 294215085 JRUIIGIQILYYHG-CFVMTHIKSA-N 343.345 3.803 0 50 EHAA COc1cccc(Cl)c1CN[C@@H](C[S@](C)=O)c1ccccc1 328589572 VIPZARYZERNSLO-AOMKIAJQSA-N 337.872 3.558 0 50 EHAA CC(C)[C@@H]1CN(C(=O)Nc2ccc(OC3CCCC3)nc2)CCCO1 333247683 RFNBKMPTACDFBQ-KRWDZBQOSA-N 347.459 3.682 0 50 EHAA Cc1c(C(=O)N[C@@H]2CCCCC23CCCC3)cnn1C1CCOCC1 366065086 BQIWVAXBMRLWOS-GOSISDBHSA-N 345.487 3.776 0 50 EHAA C[C@@H](c1cccc(-c2ccc(-c3nccn3C)nn2)c1)N1CCCC1 426544787 LRZKRYGOLLKPDS-HNNXBMFYSA-N 333.439 3.701 0 50 EHAA O=C(N[C@@H](Cc1ccccc1)c1ncco1)N[C@@H]1CCCC[C@H]1F 654592981 JAIIZGUMTKIEFJ-OAGGEKHMSA-N 331.391 3.538 0 50 EHAA O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)c1cc[nH]c1C1CCC1 813545193 YDENKBPIFOIFDT-HNNXBMFYSA-N 336.794 3.538 0 50 EHAA Cc1ccc([C@H](NC(=O)CCc2cccnc2)c2cccnc2)cc1C 827992228 FJCUQOYOKVSKDQ-QFIPXVFZSA-N 345.446 3.932 0 50 EHAA Cc1ccc([C@@H](NCc2cccc(OCCO)c2)c2ccncc2)cc1 952868617 BRJKPVFXUHFLPU-JOCHJYFZSA-N 348.446 3.640 0 50 EHAA Cc1ccsc1CN(C)C(=O)c1ccccc1-c1nccn1C 952983480 FQJSLNAUAZZZKV-UHFFFAOYSA-N 325.437 3.729 0 50 EHAA CCc1nc(N[C@@H](C(N)=O)c2ccc(Cl)cc2)c2ccsc2n1 1337636051 CGFAJZOOCKUIGZ-CYBMUJFWSA-N 346.843 3.546 0 50 EHAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1cc2cccc(C)c2nc1C 1857697507 WTDPHACCSDHZDV-CDXJDZJCSA-N 338.451 3.617 0 50 EHAA CC[C@H](C)CCC(=O)N1CCN(C(=O)c2coc3ccccc23)CC1 1875327959 RBVOCRIFDXSYSN-HNNXBMFYSA-N 342.439 3.544 0 50 EHAA C[C@](O)(CCNC(=O)c1cccc2cc(O)ccc12)C1CCCCC1 1875344730 KJSJRWYFCAOIHL-NRFANRHFSA-N 341.451 3.997 0 50 EHAA Cc1cc(S(=O)(=O)NCC(C)C)c(C(C)C)cc1Br 1875345708 GVGZSWHBMSSTHV-UHFFFAOYSA-N 348.306 3.815 0 50 EHAA CCN(C(=O)N(C)c1cccc(CCC(=O)O)c1)c1ccccc1 2325790546 SVVAELVQUAEPBB-UHFFFAOYSA-N 326.396 3.787 0 50 EHAA CCCn1cccc1C(=O)N[C@H](C(=O)O)c1cccc2ccccc12 2325877372 PSHGTRNPRPGFFC-SFHVURJKSA-N 336.391 3.607 0 50 EHAA Cc1cc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)ccc1Cl 108233 LFMCVEUEHMJGFD-KRWDZBQOSA-N 344.823 3.533 0 50 EHAA O=C(c1ccccc1)[C@H]1Oc2ccccc2OC[C@@]1(O)c1ccccc1 188992 SPTUWAPEHOJTII-FGZHOGPDSA-N 346.382 3.597 0 50 EHAA O=C(Nc1ccc(SC(F)F)cc1)[C@H]1COc2ccccc2O1 302530 YUNXPRXXTUPYNC-CQSZACIVSA-N 337.347 3.780 0 50 EHAA COc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 549270 FCHYYYMQLREYJR-UHFFFAOYSA-N 329.355 3.748 0 50 EHAA CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)cc1 619227 MANATQFMKZSGCZ-UHFFFAOYSA-N 335.407 3.673 0 50 EHAA COc1ccc(-c2cc(N)n(-c3ccc(Br)cc3)n2)cc1 2532575 GYGFKSZQRLTVQO-UHFFFAOYSA-N 344.212 3.893 0 50 EHAA COc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC(F)F 2794720 XKSQGOIXVRLDQN-UHFFFAOYSA-N 341.741 3.880 0 50 EHAA COc1ccc([C@](C)(O)[C@H](c2ccccc2)[C@@H]2CCCCN2)cc1 4782914 HGOAFHCXOPDXNZ-HBMCJLEFSA-N 325.452 3.829 0 50 EHAA CCOC(=O)C1CCN(Cc2ccc(OC)c3ccccc23)CC1 4987493 NJIPJQBAMFOBNH-UHFFFAOYSA-N 327.424 3.624 0 50 EHAA CCCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 6697775 KGGYCQBHRVFLPZ-UHFFFAOYSA-N 345.395 3.754 0 50 EHAA CSc1ccccc1C(=O)N1CCN(c2cccc(C)c2C)CC1 6703774 JIZOWZBORIRWFZ-UHFFFAOYSA-N 340.492 3.988 0 50 EHAA CSc1cccc(NC(=O)N2CCN(Cc3ccc(C)o3)CC2)c1 13320033 QHCGOFGVONTUIR-UHFFFAOYSA-N 345.468 3.660 0 50 EHAA CCN(CC)C(=O)c1ccc(OCc2csc(C)n2)c(OC)c1 15108514 NUUXBDNYONRYMI-UHFFFAOYSA-N 334.441 3.521 0 50 EHAA biogenic,in-vitro O=C(Cc1noc(-c2ccc(F)cc2)n1)Nc1cccc(Cl)c1 16578767 NMEVANBRFMMHJV-UHFFFAOYSA-N 331.734 3.710 0 50 EHAA NC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 17481505 TYQQANTVCGKNKI-UHFFFAOYSA-N 330.387 3.634 0 50 EHAA CCC(CC)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 20254786 IYJLFYFYLBCFHJ-FQEVSTJZSA-N 333.495 3.601 0 50 EHAA Cc1cccc(OCC(=O)Nc2ccccc2CN2CCCC2)c1C 41970485 LMPVYYLLIZKPJP-UHFFFAOYSA-N 338.451 3.917 0 50 EHAA Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1nn(C)c2cccc(Cl)c12 65455544 CMEYSBXCSFBHDR-NSHDSACASA-N 341.798 3.715 0 50 EHAA c1ccc(COC2CCN(Cc3cccc4nccnc34)CC2)cc1 72146042 JZAAFJVWICEYQJ-UHFFFAOYSA-N 333.435 3.811 0 50 EHAA C[C@H](Cc1cccnc1)Nc1cc(-c2ccccc2F)nc2ccnn12 72425350 JZFXWVQLYHEGQG-CQSZACIVSA-N 347.397 3.974 0 50 EHAA C[C@H](C1CCN(Cc2cccc(OC(F)F)c2)CC1)N1CCCC1 72480587 RQRYBVCNPKFVHW-OAHLLOKOSA-N 338.442 3.984 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)N3CCCCC[C@@H]3CO)c2c1 77343699 KEDQWSBIUQVIKR-MRXNPFEDSA-N 326.440 3.537 0 50 EHAA OC[C@]1(CC2CC2)CCCN(Cc2cncn2C2CCCCC2)C1 91390723 DIKZIKNVXAATJE-FQEVSTJZSA-N 331.504 3.763 0 50 EHAA CO[C@H]1C[C@@H](O)C12CCN(c1cc(C)c3ccc(Cl)cc3n1)CC2 91649714 GSZRMORGXRDBPO-SJORKVTESA-N 346.858 3.563 0 50 EHAA CC/C=C/CCOC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C 126986289 GMRALQVTYBAAJM-JFDDCEBESA-N 339.382 3.619 0 50 EHAA C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cnsn1)C1CC1 129954334 TTWYCNHRPSMVEB-VIFPVBQESA-N 341.358 3.923 0 50 EHAA CSCC[C@H](NCc1ccc(-c2c(F)cccc2F)o1)C(=O)O 170612804 XIRXDPMAVLFBFB-ZDUSSCGKSA-N 341.379 3.521 0 50 EHAA CN(C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)[C@@H]1CCNC1 179078837 AXOCNRKJRYOZQK-BUUCAEBMSA-N 346.883 3.902 0 50 EHAA CCc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccccn2)cc1CC 179286649 OPRHYQLZQQQKDL-AWEZNQCLSA-N 332.469 3.588 0 50 EHAA Cc1cc(C(F)(F)F)ccc1CNc1cccc(NC(=O)CO)c1 191032429 KFSJZSWHTMXVJF-UHFFFAOYSA-N 338.329 3.557 0 50 EHAA CC(C)c1cc([C@@H]2CCCN2Cc2cnc(-c3ccccn3)nc2)no1 215215121 ZTMYZDQEUMRWPT-SFHVURJKSA-N 349.438 3.987 0 50 EHAA COc1cccc([C@@H]2CCN2Cc2cnc(N3CCCC3)s2)c1 215587768 VJHAVEHWQOIWIH-KRWDZBQOSA-N 329.469 3.699 0 50 EHAA COc1cc(F)c(CN2CCC(c3ccncc3)CC2)cc1OC 215803989 IHSWKXCXABDWEA-UHFFFAOYSA-N 330.403 3.618 0 50 EHAA COc1ncccc1-c1csc(-c2c(C)nc3sccn23)n1 225456335 SYKOSFYBQZPQME-UHFFFAOYSA-N 328.422 3.898 0 50 EHAA C[C@@H]1CN(c2nc(-c3cccs3)nc3ccccc23)[C@H](C)CO1 225503453 BOGOIGURYXUSGB-CHWSQXEVSA-N 325.437 3.972 0 50 EHAA CCOc1ccccc1C(=O)OCc1cccnc1Br 225691283 QFPNXARAADXYCK-UHFFFAOYSA-N 336.185 3.600 0 50 EHAA CCN(C(=O)c1ccc(C(=O)O)cc1)[C@H](C)c1cccc(OC)c1 237043662 ZOUDYYGPXDKOLB-CYBMUJFWSA-N 327.380 3.617 0 50 EHAA C[C@H]1CCCCN1CCC(=O)N[C@@H]1CCSc2c(F)cccc21 240471586 GCWDLELVKWRCRG-XJKSGUPXSA-N 336.476 3.743 0 50 EHAA CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc2cc(Cl)ccn2n1 253407815 LTBNVTLNHGOOQR-GFCCVEGCSA-N 345.752 3.791 0 50 EHAA O=C(Nc1cccnc1-c1ccco1)c1ncccc1Br 253419246 IITYAMMPDODRRL-UHFFFAOYSA-N 344.168 3.751 0 50 EHAA Fc1ccc([C@H](N[C@H]2CCOc3ccccc32)c2cnccn2)cc1 253431957 YZAVOAXGJWWUBA-PXNSSMCTSA-N 335.382 3.819 0 50 EHAA Cc1nc([C@@H](C)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n[nH]1 331397892 GPCDAAKHZWLGDO-SKDRFNHKSA-N 341.242 3.634 0 50 EHAA Cc1nc([C@@H](C)NC(=O)c2cn(C)nc2C2CCCCC2)cs1 331457973 FJJYNTBFOZJUNG-LLVKDONJSA-N 332.473 3.724 0 50 EHAA O=C(NCCc1cnc(C2CC2)nc1)N1CC2(CCC2)c2ccccc21 372789744 GCQVBDBQNCUBKZ-UHFFFAOYSA-N 348.450 3.548 0 50 EHAA Cc1cc([C@H](C)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c(C)o1 376115434 NRQOOHMVWAHVGV-PEYYIBSZSA-N 331.416 3.728 0 50 EHAA Cc1cccc(Cl)c1C(=O)N[C@@H]1CCc2cn(C(C)C)nc2C1 450194695 HRMZJSLEXQNHRU-CQSZACIVSA-N 331.847 3.713 0 50 EHAA C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(CC(=O)O)c1 653644991 GDSXIHVTKTVDLC-NRFANRHFSA-N 337.419 3.551 0 50 EHAA CC[C@@H]1OCC[C@H]1C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 802765636 YZOQHQGXGMSUHU-NEPJUHHUSA-N 337.832 3.612 0 50 EHAA c1coc(CN2CCC(NCCCn3ccc4ccccc43)CC2)c1 820385390 CGOPODJYOYHBHO-UHFFFAOYSA-N 337.467 3.879 0 50 EHAA NC(=O)Cc1csc(NC(=O)c2csc(C3CCCCC3)c2)n1 930378218 ZYXSLBTWERCDDD-UHFFFAOYSA-N 349.481 3.532 0 50 EHAA Clc1ccc2nc([C@@H]3CCCCN3Cc3nncs3)[nH]c2c1 930685646 GNKYYVYAMPZPLO-ZDUSSCGKSA-N 333.848 3.795 0 50 EHAA CCc1ccc2c(c1)CCN2C(=O)Nc1cn(C)nc1C(F)(F)F 930814181 PLJXPASPUUPXHL-UHFFFAOYSA-N 338.333 3.596 0 50 EHAA O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccnn1C1CCC1 935027737 RAAWYPNUQJCKGQ-UHFFFAOYSA-N 349.316 3.756 0 50 EHAA CCN1CCC[C@@H](n2ccnc2-c2ccc(OC)c(OC)c2Cl)C1 1857667383 AXMUXSAYTGPOAC-CYBMUJFWSA-N 349.862 3.878 0 50 EHAA CN1C[C@@H](Cn2ccnc2-c2ccc(Oc3ccccc3)cc2)CC1=O 1857674528 MENPOILTRFBTMR-INIZCTEOSA-N 347.418 3.821 0 50 EHAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1cc(CN2CCCCC2)cs1 1857711662 JQPLSPIYVIWNRL-SXLOBPIMSA-N 348.556 3.859 0 50 EHAA COc1cc(C)c(-c2nc(NC(=O)[C@H]3CCOC3)sc2C)cc1C 1875239816 ACOMTDHNGHPONX-ZDUSSCGKSA-N 346.452 3.719 0 50 EHAA O=C(Nc1cnccn1)[C@H](CC(F)(F)F)c1cccc(Cl)c1 2325849797 ATMIHHABMXVMBH-LLVKDONJSA-N 329.709 3.805 0 50 EHAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(O)nc1C(C)C 2356148135 IWUJAXSPRGPKEO-KRWDZBQOSA-N 340.423 3.727 0 50 EHAA COc1ccc(CNC(=O)CSc2nc3ccccc3s2)cc1 36126 KRDKAGRNMKYPBP-UHFFFAOYSA-N 344.461 3.713 0 50 EHAA O=C(NCc1cccnc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 49201 ZVNYTGLKJNQSKV-FQEVSTJZSA-N 328.415 3.704 0 50 EHAA CCOC(=O)c1ccc(NC(=S)N2CCc3ccccc3C2)cc1 169973 KDXXILHYGZBBSL-UHFFFAOYSA-N 340.448 3.618 0 50 EHAA Nc1ncn(Cc2ccccc2)c2nc(SCc3ccccc3)nc1-2 172593 PTYOWCLFBBBYGH-UHFFFAOYSA-N 347.447 3.701 0 50 EHAA COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(C)cc3)no2)c1 425672 NWOKLHGHFISQOP-UHFFFAOYSA-N 338.363 3.920 0 50 EHAA COC(=O)c1cn(C(=O)COc2cc(C)cc(C)c2)c2ccccc12 462611 PJQRURCDMYLRRQ-UHFFFAOYSA-N 337.375 3.764 0 50 EHAA CCOC(=O)c1cn(Cc2ccc(C)cc2)c2cc(F)ccc2c1=O 1389034 LSCTVEQXPSJDFD-UHFFFAOYSA-N 339.366 3.674 0 50 EHAA CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2530814 JBIJSEUVWWLFGV-SFHVURJKSA-N 339.391 3.778 0 50 EHAA biogenic,in-vitro CC(=O)O[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)c2ccccc21 3190437 MBOWKIIVKPJHFP-INIZCTEOSA-N 335.281 3.686 0 50 EHAA O=C(CSc1nnc(-c2ccncc2)o1)c1ccc(Cl)cc1 4050202 ANAFLDLYCVDZCY-UHFFFAOYSA-N 331.784 3.760 0 50 EHAA Cc1nc(SCC(=O)N2CCCCC2)c2c3c(sc2n1)CCC3 4284343 KYWVUSBVIOKALT-UHFFFAOYSA-N 347.509 3.593 0 50 EHAA COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1OC 5077560 WGCUCNBFUAAOSY-UHFFFAOYSA-N 339.750 3.757 0 50 EHAA O=C(c1ccccc1)[C@@H]1CCCN(c2nncc(-c3ccccc3)n2)C1 12089861 QVPLWWXSFBUCJH-GOSISDBHSA-N 344.418 3.638 0 50 EHAA COc1cccc(CN2CCC(CO)(Cc3ccccc3)CC2)c1 12431291 LINPKNYBXDMFID-UHFFFAOYSA-N 325.452 3.512 0 50 EHAA O=C(NCc1cnc2ccccc2c1)c1ccc([C@H]2CCCN2)s1 19145939 HNYLAYOVTGZIKL-MRXNPFEDSA-N 337.448 3.651 0 50 EHAA CC(C)(C)OC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)O 39959772 BFBAJLQTONSFEB-INIZCTEOSA-N 329.396 3.608 0 50 EHAA C[C@@H](CCc1ccco1)NC(=O)Nc1ccc(N2CCCC2=O)cc1 43574071 OTDPRRAADZATBK-AWEZNQCLSA-N 341.411 3.549 0 50 EHAA CCN(Cc1ccccc1)C(=O)c1cc(NC(C)=O)ccc1Cl 55343536 CQFKRPCMPKEXOU-UHFFFAOYSA-N 330.815 3.961 0 50 EHAA O=C1CCCN1CCCn1cnc(-c2ccccc2)c1-c1ccncc1 65406979 ALEXZONXFIJKLJ-UHFFFAOYSA-N 346.434 3.625 0 50 EHAA C[C@@H](Cn1ccnc1)NCc1cccnc1Oc1ccc(F)c(F)c1 67908635 VHBDYOAZFRZDNM-ZDUSSCGKSA-N 344.365 3.527 0 50 EHAA CC(=O)c1cccc(CN2CC[C@H](Cc3ccc(C(=O)O)cc3)C2)c1 72479678 BNSROBVWQKAWNW-GOSISDBHSA-N 337.419 3.652 0 50 EHAA Cc1cc(C(=O)NCCc2cscn2)c2ccc(C)c(C)c2n1 77337666 AJRGUQAABUCVGX-UHFFFAOYSA-N 325.437 3.589 0 50 EHAA CN(C[C@@H]1CCN(c2ccccc2)C1)c1nc(-c2ccccc2)no1 77428719 YFMUXDMWADYNNR-INIZCTEOSA-N 334.423 3.699 0 50 EHAA Cc1ccc2nc(C(=O)N(C)Cc3cccc4ncccc34)c(F)n2c1 82121941 CHMWREOHQDPXNW-UHFFFAOYSA-N 348.381 3.602 0 50 EHAA O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)C1=CCCCCC1 127746395 RMQVMOLEOVCNLK-UHFFFAOYSA-N 341.455 3.690 0 50 EHAA CC(C)(NCc1cn2cccnc2n1)c1ccccc1Br 181520169 KIJYMOAOWNQDOO-UHFFFAOYSA-N 345.244 3.517 0 50 EHAA CC(C)c1cc(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)nn1C 182444359 RGELYAQMFCPINJ-CQSZACIVSA-N 347.846 3.841 0 50 EHAA C[C@H](NC(=O)Nc1ccncc1F)c1ccc(OC(F)F)cc1 184142576 JKQHNRFIADUVHW-VIFPVBQESA-N 325.290 3.705 0 50 EHAA COc1cnccc1[C@@H](C)NC(=O)N1CCCC[C@@H]1c1ccc(C)o1 187509534 JUHUFIDDESCLPX-GDBMZVCRSA-N 343.427 3.989 0 50 EHAA CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 190228346 OYXACTZEGNNZFV-AEFFLSMTSA-N 348.487 3.678 0 50 EHAA O=C(Cc1cccc(Cl)c1Cl)N1CCCC[C@H]1c1ncon1 194164068 LKQIJWSFTKDNMN-LBPRGKRZSA-N 340.210 3.673 0 50 EHAA CC(C)=CCC/C(C)=C/CN1CCn2nc([C@@H](O)C3CC3)cc2C1 218949753 RRCPWVKHXJDFAX-ZYEUVFMNSA-N 329.488 3.835 0 50 EHAA C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1nccs1)C1CC1 223164320 YRMAFZLGAVSKSK-LLVKDONJSA-N 336.844 3.755 0 50 EHAA Cc1cccnc1[C@@H]1CCC[C@@H](Nc2ccc(CNC(N)=O)cc2)C1 239667137 BPBBGKWHCAOIHX-SJLPKXTDSA-N 338.455 3.697 0 50 EHAA C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)C1 241287133 LKFBELBFPVKAOR-HLTONANMSA-N 329.440 3.642 0 50 EHAA CC(C)c1nn(C)cc1NC(=O)N[C@H]1CCCOc2cc(F)ccc21 242167663 WYMQQHSMIFVBGN-AWEZNQCLSA-N 346.406 3.718 0 50 EHAA CC(C)[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1ccc(Cl)cc1 248234864 MEHLKVRXOKTCJQ-XHSDSOJGSA-N 335.831 3.820 0 50 EHAA C[C@@H](c1cccnc1)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 253630240 PGOVWNRZGZGMPF-YJBOKZPZSA-N 333.439 3.807 0 50 EHAA Cn1cncc1[C@@H]1C[C@@H](NCc2cc3ccccc3s2)CCO1 275695864 XFDMSAUQYQKYIT-YOEHRIQHSA-N 327.453 3.645 0 50 EHAA CCC(CC)n1ncc(C(=O)N2CCC=C(c3ccncc3)C2)c1C 286188533 JZSJHMVCJSRNKT-UHFFFAOYSA-N 338.455 3.877 0 50 EHAA CN1CC[C@@]2(CCN(C(=O)Nc3ccccc3OC3CCCC3)C2)C1 292580091 ICHRQCJEMINPAF-HXUWFJFHSA-N 343.471 3.568 0 50 EHAA O=C(c1c[nH]nc1-c1ccsc1)N1CCC(c2nccs2)CC1 328587906 JPRTYGMGXNMLER-UHFFFAOYSA-N 344.465 3.615 0 50 EHAA c1sc(C2CCCC2)nc1CSc1n[nH]c(=NC2CC2)s1 329474230 NMKKKDPMPQWNGI-UHFFFAOYSA-N 338.527 3.941 0 50 EHAA CC(C)c1ncsc1C(=O)N1CCC(n2cc(Cl)cn2)CC1 332000620 ZOVPUGDBADKDQQ-UHFFFAOYSA-N 338.864 3.594 0 50 EHAA COc1ccccc1[C@@H](N[C@@H]1CCc2nccn2C1)C1CCCC1 375841209 NIEHXZVUYQACKT-UZLBHIALSA-N 325.456 3.728 0 50 EHAA Cn1cc([C@H]2C[C@@H]2C(=O)N(c2ccccc2F)C2CCCC2)cn1 377917460 QDYCPTVNVDBWNW-CVEARBPZSA-N 327.403 3.639 0 50 EHAA O=C(CCSCc1ccccn1)N1CCc2ccc(F)c(F)c21 456449352 FTBSKBRCSOZVMV-UHFFFAOYSA-N 334.391 3.572 0 50 EHAA C[C@H](c1cccc(-c2ccc(C(=O)O)cc2CO)c1)N1CCCC1 534644749 KRMLRMYLUGBMJI-CQSZACIVSA-N 325.408 3.701 0 50 EHAA Cc1ccc(N2CCC(N[C@@H](C)c3cnn(C)c3)CC2)cc1Cl 584903545 LSIWTFUHPDURDD-AWEZNQCLSA-N 332.879 3.702 0 50 EHAA CC(C)Cc1cc(CNC(=O)CCc2c[nH]c3ccccc23)on1 821483426 WZOSSUKAXKLZJO-UHFFFAOYSA-N 325.412 3.603 0 50 EHAA CC1(C)N[C@H](c2cnc3c(F)cccc3c2)N(CC2CCCC2)C1=O 877857279 NOYCWTVAMFOEGI-SFHVURJKSA-N 341.430 3.773 0 50 EHAA CCOc1ccc([C@H](CC)NCc2cnn3c(C)cc(C)nc23)cc1 952971986 AKIGXDZQCHZETK-IBGZPJMESA-N 338.455 3.986 0 50 EHAA Cc1ccccc1-c1cccc(CNCCCN2CCC[C@@H](O)C2)c1 952974243 VLYJNSQMBMTOLJ-OAQYLSRUSA-N 338.495 3.598 0 50 EHAA CCn1nc(CC(C)C)cc1C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 952983574 PNTVGOYIDFHXMA-CYBMUJFWSA-N 327.428 3.677 0 50 EHAA C[C@@H]1CN(Cc2cc3c(O)cccc3s2)c2ccccc2C(=O)N1 1474557348 QRCNQPKHHVMSBM-GFCCVEGCSA-N 338.432 3.745 0 50 EHAA CCCOc1ccccc1-c1nnc(N(C)CCC[C@H]2CCCO2)o1 1772705071 KJLDOMQVBQKEEC-HNNXBMFYSA-N 345.443 3.921 0 50 EHAA CC[C@H](CCO)CN[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 1775998041 QTADBECTLMZERM-WBVHZDCISA-N 348.487 3.871 0 50 EHAA Cn1cc(CCn2ccnc2-c2ccccc2OC2CCCC2)cn1 1857676833 SWYOKQIXGFWJDO-UHFFFAOYSA-N 336.439 3.848 0 50 EHAA O=C(NC[C@H]1C[C@@]12CCOC2)c1cc(-c2ccccn2)ccc1Cl 1875307314 NGCZPSITBWIPOZ-AUUYWEPGSA-N 342.826 3.558 0 50 EHAA COc1cccc([C@@H](C)NC[C@@H](CO)Cc2ccccc2C)c1OC 2325794863 UJDWVYWJIHSJON-SJORKVTESA-N 343.467 3.514 0 50 EHAA Brc1cccc2sc(CNCCc3cn[nH]c3)cc12 2325857943 VNKNCQVLEVTBHE-UHFFFAOYSA-N 336.258 3.719 0 50 EHAA CCOc1cc(S(=O)(=O)N(C(C)C)C(C)C)c(OCC)cc1C 2325869425 MXGIJMIEWPTBLX-UHFFFAOYSA-N 343.489 3.600 0 50 EHAA Cc1nc(-c2cc(C)n(C(F)F)n2)n(Cc2cccc(Cl)c2)n1 2356145556 PXSXOWSIVYPPTC-UHFFFAOYSA-N 337.761 3.855 0 50 EHAA O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccccc2)C1 120293 PVMNWEBZDZRLKJ-LBPRGKRZSA-N 348.324 3.697 0 50 EHAA Cc1sc2ncn(Cc3cccc(Br)c3)c(=O)c2c1C 148034 VIGUWCDHARCABT-UHFFFAOYSA-N 349.253 3.886 0 50 EHAA Cc1ccccc1N[C@H](NC(=O)c1ccco1)C(=O)c1ccccc1 190666 HTGOBHMGPZFUHC-LJQANCHMSA-N 334.375 3.639 0 50 EHAA O=C(NCC1(c2ccccc2)CCOCC1)c1cccc(Cl)c1 209545 WFPPJXQNNBSWJP-UHFFFAOYSA-N 329.827 3.818 0 50 EHAA c1ccc(Nc2nc(Nc3ccccc3)nc(-n3cccn3)n2)cc1 360951 UDXGBILHECRAIN-UHFFFAOYSA-N 329.367 3.545 0 50 EHAA O=C(Cc1ccc(Br)cc1)Nc1ccc(F)cc1F 455825 PCBFPSQDCWQCNQ-UHFFFAOYSA-N 326.140 3.909 0 50 EHAA CCN1C(=O)[C@@](O)(c2c(C)[nH]c3ccccc23)c2cc(Cl)ccc21 4841429 RAPVBJBNMRMGRT-IBGZPJMESA-N 340.810 3.732 0 50 EHAA Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccccc2F)n1 7341998 AYWXBZXBQNEPED-UHFFFAOYSA-N 342.399 3.650 0 50 EHAA Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)CCC(C)C)C2 12242846 JYNXARAFTZLCDY-QGZVFWFLSA-N 338.451 3.913 0 50 EHAA Cc1cc(C(=O)N2CCCC[C@H]2CCO)c2ccc(C)c(C)c2n1 19227858 NZIMTVKTKBUMEP-INIZCTEOSA-N 326.440 3.537 0 50 EHAA Cc1cccnc1-c1cccc(-c2ccn(CCn3cccn3)n2)c1 20534305 JSCOHBBWMHAWNN-UHFFFAOYSA-N 329.407 3.817 0 50 EHAA CCc1nn2c(ncc3c(=O)n(C(C)C)ccc32)c1-c1ccccc1 40387808 BVRWWULASDABHL-UHFFFAOYSA-N 332.407 3.855 0 50 EHAA CCCCc1ccc(-n2cc(CN(C)Cc3noc(C)n3)cn2)cc1 55386022 KPFLFNICTSRGJU-UHFFFAOYSA-N 339.443 3.538 0 50 EHAA CN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CCC1=O 64083711 FFQRZSMHZKJCIM-UHFFFAOYSA-N 344.842 3.796 0 50 EHAA CCCc1cc([C@@H]2CCCN2C(=O)NCc2ccc(F)cc2)no1 64667171 ZDVBGNBQNSJCGH-KRWDZBQOSA-N 331.391 3.813 0 50 EHAA O=C(N[C@@H]1COc2ccccc2C1)c1csc(-c2cccs2)n1 82134491 CEFDNIMEPWJUHZ-LBPRGKRZSA-N 342.445 3.605 0 50 EHAA Cc1cccc2cc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)n(C)c12 95354449 ULQYJBUNORZBHB-HXUWFJFHSA-N 347.462 3.616 0 50 EHAA C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2ccco2)cs1 117609841 HEVWVTDXMRCOFF-MEBBXXQBSA-N 326.377 3.906 0 50 EHAA CC(C)(C)c1noc(CN2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)n1 134799770 HWMFBHKUIPSIAH-HOTGVXAUSA-N 347.434 3.594 0 50 EHAA O=C(N[C@H]1CCCC[C@H]1OCc1ccccc1)c1ccn2cncc2c1 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329.419 3.675 0 50 EHAA CC(C)(C(=O)NC1CCOCC1)c1csc(-c2ccccc2F)n1 292594140 JEOJSTRRPKGOHJ-UHFFFAOYSA-N 348.443 3.522 0 50 EHAA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)Nc1cccc(-c3ccco3)c1)C2 299771396 WGDSTHJQNHZVOQ-MNZLEMJZSA-N 339.439 3.751 0 50 EHAA O[C@H](CNc1ccc2nccnc2n1)c1ccc(-c2ccccc2)cc1 302183982 GIOZHFLLKBZRQF-LJQANCHMSA-N 342.402 3.837 0 50 EHAA Cc1sc(C(=O)O)cc1CN(C)[C@@H]1CCCN(c2ccccc2)C1 328596829 AMQSRKMJUHXGMW-QGZVFWFLSA-N 344.480 3.856 0 50 EHAA Cc1cc([C@@H]2CCCN2Cc2nc(O)c3c(C)c(C)sc3n2)on1 328643613 GHMWEGPIAWINRY-LBPRGKRZSA-N 344.440 3.647 0 50 EHAA C[C@H]1N(C(=O)c2csc(Cc3cccc(F)c3)n2)CCOC1(C)C 355689576 RTFZHKXIFJTBED-GFCCVEGCSA-N 348.443 3.513 0 50 EHAA CC(C)[C@H]1C=CCN1C(=O)c1cccc(-c2nc[nH]c3nccc2-3)c1 534636230 DDBLKJNBNNRDMU-QGZVFWFLSA-N 332.407 3.613 0 50 EHAA CCC[C@H](CNC(=O)c1cccc(-c2ccc(OC)cc2)c1)N(C)C 822790897 ILGAQPZXJCJPOY-LJQANCHMSA-N 340.467 3.822 0 50 EHAA O=C(O)[C@H](c1ccsc1)N1CCC(c2nc3c(s2)CCC3)CC1 903915635 BKDCZIVPTGTTJU-HNNXBMFYSA-N 348.493 3.699 0 50 EHAA C[C@H](CNC(=O)c1cc(O)nc2c1CCCC2)Sc1ccccc1 933689836 FEFCKUDEAUQRJE-CYBMUJFWSA-N 342.464 3.577 0 50 EHAA COc1ccc(CCCC(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)cc1 1704359575 SWKRKEVLNJCNDS-TZIWHRDSSA-N 345.483 3.826 0 50 EHAA CO[C@H]1C[C@H](c2nnc(C)o2)N(Cc2cc3ccccc3s2)C1 1775958019 XZOMRUZQVQDWQW-DZGCQCFKSA-N 329.425 3.555 0 50 EHAA CC(C)Oc1ccc(Br)cc1NCc1cccnc1O 1875284912 UYKMAEJUVCOLQT-UHFFFAOYSA-N 337.217 3.949 0 50 EHAA N[C@H]1CCN(C(=O)c2cccc(-c3cscn3)c2)c2ccccc21 2325860051 VXUWNWOCFCHIQU-INIZCTEOSA-N 335.432 3.860 0 50 EHAA O=C(O)c1c(NCC[C@H]2CCOC2)noc1-c1ccc(Cl)cc1 2356155979 QETFDRWEXRKHIT-JTQLQIEISA-N 336.775 3.532 0 50 EHAA O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1Cc1ccccc1 86562 BWVGTRJSWMMDPX-QFIPXVFZSA-N 329.399 3.730 0 50 EHAA COc1ccccc1C(=O)Nc1sc2c(c1C(=O)O)CCCC2 240945 ZMEXXPATMLXQNQ-UHFFFAOYSA-N 331.393 3.586 0 50 EHAA O=C(COc1ccc(Cl)cc1Br)Nc1nccs1 358546 SPHALTLUYHKHQA-UHFFFAOYSA-N 347.621 3.577 0 50 EHAA CCOC(=O)[C@@H](CC)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1 449578 XNGOQIYCEMVTTD-GFCCVEGCSA-N 344.285 3.532 0 50 EHAA Cc1ccc(N[C@@H]2CCCN(C(=O)CCc3ccncc3)C2)cc1C 11822182 BBIBEOMLIRDUCC-HXUWFJFHSA-N 337.467 3.734 0 50 EHAA Cc1cc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)[nH]n1 12305434 CORSAWBOPTXJNA-AWEZNQCLSA-N 331.847 3.775 0 50 EHAA Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3NCc2cccnc2)c1 12306872 PCWWVQJOPSEUCC-SFHVURJKSA-N 340.377 3.713 0 50 EHAA Cc1cc(C)nc(-n2nc(C)c3c2C[C@H](c2cccs2)CC3=O)n1 13611912 XUPKXWAXZIXSLA-ZDUSSCGKSA-N 338.436 3.562 0 50 EHAA O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccc(F)cc1)CCC3 17068349 WCJZBIBOLNCDGC-UHFFFAOYSA-N 332.425 3.797 0 50 EHAA CCC(C)(C)c1nnc(NC(=O)NCc2ccc(C)c(F)c2)s1 48187877 DJUORDJDSBSGOS-UHFFFAOYSA-N 336.436 3.995 0 50 EHAA CN(C)c1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCCC2)cc1 65396131 JAJAUINRTWZRAG-KRWDZBQOSA-N 338.455 3.928 0 50 EHAA CCc1cn[nH]c1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 67880999 KQRLLGQHCXQWFV-UHFFFAOYSA-N 328.441 3.535 0 50 EHAA O=C1CC[C@@]2(CCCO2)CCN1Cc1ccc(C(F)(F)F)cc1 72163975 AFZCZSKMJRGUHI-INIZCTEOSA-N 327.346 3.767 0 50 EHAA Cc1nc2ccc(Cc3nc(-c4ccncc4)nn3C(C)(C)C)cc2[nH]1 96152600 TUPPIGZJJLTDDM-UHFFFAOYSA-N 346.438 3.871 0 50 EHAA O=C(c1ccnc(-c2ccc(C3CCCC3)cc2)c1)N1CCOCC1 97547563 NHBSHMQPNDCXAD-UHFFFAOYSA-N 336.435 3.879 0 50 EHAA CN(C)c1cccc(OC[C@@H](O)c2cccc(Br)c2)c1 153988118 MHPXCBUWMZANGK-MRXNPFEDSA-N 336.229 3.628 0 50 EHAA COc1cc(F)c(NC(=O)c2ccc(F)c(Cl)c2)cc1OC 158241054 DJJWARGRUJEFCE-UHFFFAOYSA-N 327.714 3.888 0 50 EHAA CSCC[C@H](NCc1ccc(SC(F)(F)F)cc1)C(=O)O 170612830 VVRMPDLHWFKHLW-NSHDSACASA-N 339.404 3.594 0 50 EHAA O=C(NCCC1CCCC1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 170620671 QVAXWHNWSFCXSR-KRWDZBQOSA-N 338.398 3.628 0 50 EHAA CO[C@H](CNC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1ccccc1 170626920 QZUHXEDBNUSKDI-QUCCMNQESA-N 328.456 3.906 0 50 EHAA NC[C@H]1CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)C1 178519348 ZKXPQXYWLGGCDM-GFCCVEGCSA-N 348.805 3.692 0 50 EHAA Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1nc(C2CC2)no1 182221105 JRFJYJJPIKWXJT-UHFFFAOYSA-N 327.363 3.501 0 50 EHAA CCO[C@@H](CNC(=O)Nc1ccc2c(c1)COC2)c1ccccc1 193731719 KOBJAIAWFQPTMV-SFHVURJKSA-N 326.396 3.616 0 50 EHAA O=C(Nc1cccc(-n2ccnc2)c1)c1cccnc1SC(F)F 194555797 HOUSUNCCSNKRHK-UHFFFAOYSA-N 346.362 3.834 0 50 EHAA O=C(CCc1c[nH]c2ccccc12)NCc1cc(-c2ccccc2)n[nH]1 221375564 ROXYBROPLKGDLL-UHFFFAOYSA-N 344.418 3.807 0 50 EHAA C[C@@H](c1nc(-c2ccccc2)no1)N1CC[C@@H](Cc2ccncc2)C1 222291154 CJUATAKIBQBBEQ-RDJZCZTQSA-N 334.423 3.757 0 50 EHAA COc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1C1CC1 225621494 GZBPBYOFRYKSJL-UHOSZYNNSA-N 343.467 3.728 0 50 EHAA O=C(CCCn1cccn1)NCc1ccc(-c2cccc(Cl)c2)o1 240825191 QNYNUBRVRVWTGC-UHFFFAOYSA-N 343.814 3.893 0 50 EHAA CCOc1cc(C(F)(F)F)cc(NCc2cccc3cn[nH]c23)n1 252496351 PHIYXAALCNNHHS-UHFFFAOYSA-N 336.317 3.988 0 50 EHAA O=C(CN1CCCC[C@H]1c1cccc(F)c1)NCc1cccs1 252502179 UNDMMNFSKXXZQY-KRWDZBQOSA-N 332.444 3.731 0 50 EHAA Cn1cc2c(n1)CCC[C@H]2NC(=O)c1ccc(Oc2ccccc2)o1 282783790 LNMFLUDLMWOUFT-OAHLLOKOSA-N 337.379 3.613 0 50 EHAA O=C(O)C[C@@H]1CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 299746771 ZRFBDXXAYKEROK-SNVBAGLBSA-N 347.308 3.562 0 50 EHAA Fc1cccc2c1OCCC[C@H]2NCc1ccc(-c2cc[nH]n2)o1 328588655 UHYRLRPUBYKTGH-OAHLLOKOSA-N 327.359 3.812 0 50 EHAA CC[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 328592474 VGRFNLCPSQTBJW-MRXNPFEDSA-N 349.789 3.982 0 50 EHAA Cc1cc(C(=O)N(Cc2ccccc2-c2ccccn2)C(C)C)n(C)n1 367187243 SCYRDOOFEZZLQE-UHFFFAOYSA-N 348.450 3.841 0 50 EHAA Cc1cc(-c2ccc(C(=O)N3CCC[C@H]3CO)cc2)c2ccccc2n1 426667585 NKSIBGUIZFYGLE-SFHVURJKSA-N 346.430 3.807 0 50 EHAA C[C@H]1[C@H](c2ccccc2)[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 431520193 QIDSZPBIDDNILO-CWFSZBLJSA-N 338.426 3.524 0 50 EHAA Cc1cc(C(=O)N[C@H]2C[C@@H](OC(C)C)C2)c(Br)s1 457885474 OZQQNFGUHMVJIP-AOOOYVTPSA-N 332.263 3.505 0 50 EHAA CC[C@](C)(OC)c1noc(-c2ccc3nc(C(F)(F)F)cn3c2)n1 810334203 VNXYHVZHRPILDU-AWEZNQCLSA-N 340.305 3.675 0 50 EHAA O=C(O)CCc1ccccc1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 910019092 YLSHMXWERBPFCQ-DLBZAZTESA-N 343.810 3.643 0 50 EHAA CC(C)c1nccn1CCCNCc1cc(F)ccc1-n1cccn1 952968216 KQLAWRLAZBERGU-UHFFFAOYSA-N 341.434 3.511 0 50 EHAA Cc1ncsc1CN(Cc1ccccc1)C(=O)c1cc[nH]c1C 952970826 VRKSWBJDEGKEPU-UHFFFAOYSA-N 325.437 3.931 0 50 EHAA c1ccc([C@@H](Cn2cccn2)NC2CCC3(CCNCC3)CC2)cc1 952973210 MWAYQTQZRYCZEP-HXUWFJFHSA-N 338.499 3.526 0 50 EHAA O=C(c1ccncc1F)N1CCCC[C@H]1CCc1cccc(O)c1 952980793 YHHZFVMGUZBIMT-HNNXBMFYSA-N 328.387 3.554 0 50 EHAA Cc1ccc(NC(C)(C)C(=O)N(C)C[C@@H]2Cc3ccccc3O2)cc1 952988456 MBSQTCLIPGMOMS-SFHVURJKSA-N 338.451 3.648 0 50 EHAA Cc1cc(C)n(CCC(=O)Nc2n[nH]cc2-c2ccc(Cl)cc2)n1 1148034653 DZUMTDNLZLWLFP-UHFFFAOYSA-N 343.818 3.572 0 50 EHAA COc1ccc2cc(-c3nccn3[C@@H](C)C(F)(F)F)c(O)nc2c1 1857687436 QXNUNZUZUURVME-VIFPVBQESA-N 337.301 3.936 0 50 EHAA CNC(=O)c1cccc(CCN[C@H]2C=C[C@](C)(c3ccccc3)CC2)c1 1875305253 NRTWQHQWBYHXIA-GMAHTHKFSA-N 348.490 3.855 0 50 EHAA CC1(C)CC[C@H](F)[C@@H]1NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 1875354035 OUZMXLYPMVRZIR-SNPRPXQTSA-N 349.368 3.561 0 50 EHAA O=C(C[C@@H](Cc1ccccc1)C(=O)O)Nc1ccc2scnc2c1 1875361312 XCVCJSQDNWZRIO-CYBMUJFWSA-N 340.404 3.568 0 50 EHAA C[C@@H](c1ccncc1)N1CCC(Nc2ccnc3cc(O)ccc23)CC1 2325802170 NITWQZQCLUNNRO-HNNXBMFYSA-N 348.450 3.973 0 50 EHAA Cc1ccc2oc(C(=O)Nc3ccnn3Cc3ccncc3)c(C)c2c1 2356170969 ZMOKANACRYZQAR-UHFFFAOYSA-N 346.390 3.942 0 50 EHAA CC1=CC[C@H](C(=O)O)[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 106225 XBNFYFUGSSJTKU-QWHCGFSZSA-N 343.301 3.581 0 50 EHAA C[C@H](NC(=O)COc1ccccc1Br)c1ccccc1 137216 RPXRATAQQAXVPN-LBPRGKRZSA-N 334.213 3.705 0 50 EHAA C[C@H]1Nc2ccccc2-c2c(NC(=O)CN(C)C)c3ccccc3n21 196635 FHJNQHNFHWEVMD-ZDUSSCGKSA-N 334.423 3.752 0 50 EHAA Cc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nnnn21 222838 GRIAHVJZIQYPQW-JKSUJKDBSA-N 325.803 3.781 0 50 EHAA O=C(NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 286596 CKTGOEJYHBKLOF-UHFFFAOYSA-N 345.398 3.977 0 50 EHAA COc1ccc(NC(=O)CSCc2ccccc2C)cc1OC 444146 COKDKPYHKYWNJD-UHFFFAOYSA-N 331.437 3.884 0 50 EHAA CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 451289 STTJLSTVRHCFNV-UHFFFAOYSA-N 341.480 3.968 0 50 EHAA Cc1ccc(CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 2571896 LIUGCVMBJYHYNA-AWEZNQCLSA-N 339.457 3.596 0 50 EHAA in-vitro CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 4789252 AHRWWYGWQKBKBF-XNZWGJQJSA-N 330.468 3.982 0 50 EHAA O=c1c(Cc2ccc(Cl)cc2)c(O)ccn1Cc1ccccc1 5769348 FXUIXWIFCVHFCL-UHFFFAOYSA-N 325.795 3.846 0 50 EHAA Cc1ccc(N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)nc1 12306079 CRXUBYIVZFGNMO-HXUWFJFHSA-N 336.483 3.524 0 50 EHAA Cc1c([C@H](C)NCc2cccc(O)c2)cnn1-c1cccc(F)c1 12470235 PFWKOOKVRFLVNF-ZDUSSCGKSA-N 325.387 3.876 0 50 EHAA O=C(CCCN1CCO[C@H](c2ccccc2)C1)c1ccc(F)cc1 19798552 FAQLEPILVVDIAQ-FQEVSTJZSA-N 327.399 3.862 0 50 EHAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CC(=O)O)c1ccccc12 35571286 FARYIPWNEVTXDV-CQSZACIVSA-N 345.439 3.917 0 50 EHAA Cc1cccc(-c2noc(CN(C)Cc3ccc(-c4ccn[nH]4)o3)n2)c1 55343397 ZHQLIDQWJWWDOO-UHFFFAOYSA-N 349.394 3.660 0 50 EHAA CCCCn1cnc(-c2ccccc2)c1-c1ccc(OCC(N)=O)cc1 65533026 GWBNLTAKOUBZNF-UHFFFAOYSA-N 349.434 3.881 0 50 EHAA Cc1ccc2oc(C(=O)N[C@@H](CC(C)C)c3ncnn3C)c(C)c2c1 77419425 HBXQJJQJODLILR-HNNXBMFYSA-N 340.427 3.695 0 50 EHAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3ccn(C(F)F)n3)C2)cc1 82086548 LQKHKKGMOBLYFV-AWEZNQCLSA-N 349.381 3.518 0 50 EHAA COc1ccc(CN(C)C(=O)c2sc(C)nc2C)c2cccnc12 96153027 GZOAPIZZUXIOKY-UHFFFAOYSA-N 341.436 3.589 0 50 EHAA C[C@H](CC1CC1)NC(=O)N1CCC(c2nc3ccccc3o2)CC1 112751957 MBEJFYWRQVQYDQ-CYBMUJFWSA-N 327.428 3.905 0 50 EHAA CC(=O)N1CCc2cccc(NCc3noc(-c4ccccc4C)n3)c21 134114139 AJXLHBZPIRJSLB-UHFFFAOYSA-N 348.406 3.566 0 50 EHAA Cc1nnc(CC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)o1 171301934 QOOGVDJBQZXYAG-HXUWFJFHSA-N 347.374 3.573 0 50 EHAA CSc1ccccc1NC(=O)N1CCCN(C2CCCC2)CC1 172442580 PCOFTIUIWOBNQL-UHFFFAOYSA-N 333.501 3.891 0 50 EHAA O=C(Nc1ccccc1CC(F)(F)F)N(C[C@@H]1CCOC1)C1CC1 174007562 ZJHQRPPIWJLTKP-LBPRGKRZSA-N 342.361 3.824 0 50 EHAA Cc1noc([C@H](C)OC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)n1 183555656 MGQZECHGLCGLRB-UWVGGRQHSA-N 336.775 3.545 0 50 EHAA O=C(CCc1cscn1)Nc1ccc(OC(F)F)c2cccnc12 184341160 WOIZHAVGUVEOCH-UHFFFAOYSA-N 349.362 3.864 0 50 EHAA C[C@@H](CC(=O)N1C[C@@H](C(=O)O)c2ccccc21)c1cccc(F)c1 192949080 CJHCHQLGSQITLO-BLLLJJGKSA-N 327.355 3.534 0 50 EHAA CCO[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 193895206 NPUXIPJNGHNSPJ-IBGZPJMESA-N 338.407 3.530 0 50 EHAA CC(=O)c1cc(CN(Cc2ccccn2)C[C@@H]2CCCO2)cs1 216420647 SDCSJELIHGEKAK-KRWDZBQOSA-N 330.453 3.527 0 50 EHAA CSc1ncc(C(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)cn1 222605941 JCSJBECXZHLMRK-IBGZPJMESA-N 341.480 3.638 0 50 EHAA CC[C@H](C)c1ccccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 241144906 JUADJAHIBUCNCE-XLWVJDPXSA-N 332.469 3.593 0 50 EHAA Cc1nc2ccc(NC(=O)c3ccc(-c4ncn(C)n4)cc3)cc2s1 242263392 XYPLZCSBZAUHQJ-UHFFFAOYSA-N 349.419 3.653 0 50 EHAA COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCC=C2 254303027 ICQQTCYRFZNFGZ-ZDUSSCGKSA-N 332.396 3.883 0 50 EHAA biogenic CC(C)(C)OC(=O)NCc1nc(C2(c3ccccc3)CCC2)no1 255189708 RNMFDQZHANEQPF-UHFFFAOYSA-N 329.400 3.564 0 50 EHAA CCOc1ccccc1-c1cccc(C(=O)N[C@](C)(CC)C(=O)O)c1 263258779 LNNQRIZFESBRGC-HXUWFJFHSA-N 341.407 3.735 0 50 EHAA C[C@@]1(c2ccccc2)CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 268935182 BSOAXCLXVRVDRT-FXAWDEMLSA-N 338.455 3.550 0 50 EHAA Cn1cncc1[C@@H]1C[C@H](NCc2csc3ccccc23)CCO1 275505230 JXVAFLRJOQPOKO-PBHICJAKSA-N 327.453 3.645 0 50 EHAA CC[C@@H]1CN(C(=O)c2cccc(-c3cnc4ccccc4n3)c2)CCO1 426388597 WCYKAXAEANTCAM-QGZVFWFLSA-N 347.418 3.548 0 50 EHAA CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(-c2nccs2)cc1 426620035 LTNFAOOBBCZPEP-MRXNPFEDSA-N 330.453 3.841 0 50 EHAA CNC(=O)CCCNC(=O)c1ccc(-c2cccc(Cl)c2C)cc1 426739976 XTFGLPCTVUFDMY-UHFFFAOYSA-N 344.842 3.571 0 50 EHAA O=C(Cn1ncc2ccccc21)NC[C@H]1CCCC[C@@H]1C(F)(F)F 482205102 DZUSDJGPYAUQNT-OCCSQVGLSA-N 339.361 3.521 0 50 EHAA O=C1CC[C@H](NC2(c3cccc(Cl)c3)CC2)CCN1CC1CC1 534589508 KROCWNZIJYGNBF-KRWDZBQOSA-N 332.875 3.710 0 50 EHAA Cc1cc(CN(C)C(=O)c2ccc(-c3ncnn3C(C)C)cc2)ccn1 584892420 LVUSHPHUPQOSNT-UHFFFAOYSA-N 349.438 3.502 0 50 EHAA CC/C=C(/CN1CCN(CC(C)C)[C@@H](CCO)C1)c1ccccc1 952862749 QETZBHUXANWBJB-YBETYGMLSA-N 330.516 3.505 0 50 EHAA CC(C)c1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)nc(N)n1 1506406504 QHPPLIQDZITHAU-OAHLLOKOSA-N 328.416 3.533 0 50 EHAA CCCC(C)(C)C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12 1704352974 NWJKNQPEICJCHR-VQIMIIECSA-N 340.467 3.735 0 50 EHAA Cc1ccc(CN2CCO[C@@H](CO)[C@@H]2c2ccccc2Cl)cc1 1875248159 AALBXZKUPDDODL-OALUTQOASA-N 331.843 3.583 0 50 EHAA CC[C@H](C)Oc1ccc(NC(=O)c2cncc(C(=O)O)c2C)cc1 1875278099 YTWQOLVNFGIKRQ-NSHDSACASA-N 328.368 3.518 0 50 EHAA C[C@@H](C1CCCCC1)[C@@H](C)NC(=O)c1nnc2c(F)cccc2c1O 2325843104 UMRLNSNJQLFROY-VXGBXAGGSA-N 345.418 3.809 0 50 EHAA CC(C)=CCCc1nc(CCc2ccccc2)nn1[C@@H]1CCOC1 2356155593 JGFAAZTUVHKLCC-GOSISDBHSA-N 325.456 3.924 0 50 EHAA Fc1ccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 458859 VYQLFBSIEBFLTL-UHFFFAOYSA-N 349.862 3.998 0 50 EHAA CCC(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12 560723 QGLLCFAWZVGXGX-UHFFFAOYSA-N 334.419 3.593 0 50 EHAA COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1OC 815062 CPGPLDTUMBORBR-UHFFFAOYSA-N 338.363 3.920 0 50 EHAA Cc1nnc(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)s1 5054025 PHDDYOMDCJDDOX-UHFFFAOYSA-N 347.465 3.881 0 50 EHAA Cn1c(CN2CCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 6690926 HPLOEPAQBIUCCO-UHFFFAOYSA-N 340.471 3.688 0 50 EHAA CCCc1cc(NC[C@H]2CCCO2)n2ncc(-c3ccccc3)c2n1 7636171 KSOXOXWXSMTLMX-QGZVFWFLSA-N 336.439 3.940 0 50 EHAA O=C(c1cccnc1)N1CCC[C@H](CCc2ccc(F)cc2F)C1 12111886 KWSHAYOFCZYNHW-CQSZACIVSA-N 330.378 3.845 0 50 EHAA C[C@@H](Oc1ccccc1Br)C(=O)NCc1ccccc1 12380690 WACVYHXYVRMMQU-GFCCVEGCSA-N 334.213 3.533 0 50 EHAA Cc1ccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1F 13325013 QXBNEIWNKZDHMN-UHFFFAOYSA-N 343.402 3.610 0 50 EHAA O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccc(Cl)cc3)c12 13692294 XLQNPRQVXZHDNA-UHFFFAOYSA-N 340.814 3.629 0 50 EHAA Cc1ccc(C[C@@H](C)CC(=O)NCCc2ccc3c(c2)OCO3)cc1 15799215 KQFOZDRSWAOUMJ-MRXNPFEDSA-N 339.435 3.651 0 50 EHAA COc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C(C)C)cc1 16652033 NZXBZUCOAVQVDJ-UHFFFAOYSA-N 336.395 3.652 0 50 EHAA O=C(/C=C/c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 20432527 ZNDVHBDQEYOYQN-DHZHZOJOSA-N 340.854 3.698 0 50 EHAA CC(=O)Nc1ccc(NC(=O)Cn2ccc3ccc(Cl)cc32)cc1 32088787 YLTYXSFWKCUNRO-UHFFFAOYSA-N 341.798 3.892 0 50 EHAA O=C(Cc1csc(-c2ccccc2)n1)Nc1cnc2n1CCCC2 67856040 KOGAWYVTVWGBGD-UHFFFAOYSA-N 338.436 3.524 0 50 EHAA CCN(CC)C(=O)N1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 71746033 ZOYUUNCKXWGFLN-IBGZPJMESA-N 342.439 3.684 0 50 EHAA CC1=NN(c2nc(C)cc(C)n2)C(=O)[C@@H]1Cc1ccc(C(C)C)cc1 101380581 QMSXFYRNHDFMQC-GOSISDBHSA-N 336.439 3.798 0 50 EHAA Cc1cc(NC(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)no1 173415695 GRNYVKNRQILOPM-GFCCVEGCSA-N 334.445 3.974 0 50 EHAA COc1c(C)cc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1C 179655996 VXKDWMIWZZICOH-UHFFFAOYSA-N 342.420 3.609 0 50 EHAA C[C@H](Nc1ccc(N2CCOCC2)cn1)c1ccc2ccccc2n1 182888516 PBFHHUGKDOJZRI-HNNXBMFYSA-N 334.423 3.640 0 50 EHAA Cc1csc([C@@H](C)CNC(=O)c2ccccc2Br)n1 186093296 WPNMERGMIFDXCJ-VIFPVBQESA-N 339.258 3.748 0 50 EHAA CC(=O)c1ccc(Oc2ccccc2I)nc1 212851907 JRVCZVSCCDMXBO-UHFFFAOYSA-N 339.132 3.681 0 50 EHAA COc1cccc([C@H]2CCN(Cc3ccncc3Cl)C2)c1OC 216024126 HQFMQHHOFNXAFS-ZDUSSCGKSA-N 332.831 3.742 0 50 EHAA O=C(O)C[C@@H]1CCCCN1C(=O)c1ccccc1Oc1ccccc1 221268796 MIYKUJJJNVOEAI-HNNXBMFYSA-N 339.391 3.948 0 50 EHAA O=C(CC1CCCC1)N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244873416 WQAIAYAUNRHPBG-CDXJDZJCSA-N 338.451 3.743 0 50 EHAA Cc1ccc2nc(CN3CCN(C)[C@@H](c4ccccc4)C3)[nH]c2c1C 252509466 YOHAVCGTAZYBND-LJQANCHMSA-N 334.467 3.668 0 50 EHAA CO[C@H](c1ccc(F)cc1)c1noc([C@H](C)N2[C@@H](C)CC[C@H]2C)n1 252551884 UJFADMNCVWDAQU-RSUWNVLCSA-N 333.407 3.878 0 50 EHAA Cc1nc(CC(C)C)c(NC(=O)N2CCC(c3c[nH]cn3)CC2)s1 253427760 DSIOUUQFHHMWOY-UHFFFAOYSA-N 347.488 3.785 0 50 EHAA CC(=O)c1ccc(C(=O)N2CCOc3ccc(C(F)(F)F)cc32)o1 253428221 CFXPAXIXMGAQRG-UHFFFAOYSA-N 339.269 3.540 0 50 EHAA Cc1nc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cccnc3)C2)sc1C 257365509 GPDCPHWYXFSSHX-IKGGRYGDSA-N 341.480 3.665 0 50 EHAA C[C@@H](Nc1nc(-c2cccnc2)nc2c1CCC2)c1cccc(O)c1 269063689 WGNQWZWAOMXULX-CYBMUJFWSA-N 332.407 3.906 0 50 EHAA CCC[C@@H](NCc1cccc(N2CCOCC2)c1)c1cccnc1 293846530 YDAWVBTULGWDTC-HXUWFJFHSA-N 325.456 3.549 0 50 EHAA CC(=O)c1[nH]c(C)c(C(=O)N2CCc3ccc(F)cc3[C@H]2C)c1C 299777750 CPEZCSSCAIXKAH-GFCCVEGCSA-N 328.387 3.733 0 50 EHAA O=C(Nc1cccc2cccnc12)N1CCC(CCn2cccn2)CC1 299795355 MNHBHQNTZFFUIA-UHFFFAOYSA-N 349.438 3.766 0 50 EHAA O=C(O)C[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 327294067 NUFXOAUAQCJNRU-DIKOGFFKSA-N 341.451 3.925 0 50 EHAA CCc1nc(NC(=O)CN2CCC[C@@H]2c2ccc(C)o2)sc1C 331377107 CNMKSYBFCVFZLV-CQSZACIVSA-N 333.457 3.691 0 50 EHAA C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2[C@H](C)c2nc(C(C)(C)C)no2)C1 407981105 RAHJRDMHDOIBQZ-OWYFMNJBSA-N 335.492 3.690 0 50 EHAA CC(C)CC[C@@H](C)NC(=O)N(C)Cc1cc(-c2cccnc2)no1 426497306 SPJQEQTVCIWPCS-CQSZACIVSA-N 330.432 3.703 0 50 EHAA O=C(c1cncc(Cl)c1)N1CCC2(CC1)OCCc1ccsc12 450471554 CWCXSJYABQBPQS-UHFFFAOYSA-N 348.855 3.501 0 50 EHAA CCn1c([C@@H]2CCCN2c2cc(C)nc(OC)n2)nc2ccccc21 680622905 SFGXWGJYDMCMMV-INIZCTEOSA-N 337.427 3.505 0 50 EHAA CCNc1nc(C)c(C(=O)NCCCc2c[nH]c3ccccc23)s1 759241316 TZCAPWSDXDCPPR-UHFFFAOYSA-N 342.468 3.727 0 50 EHAA C[C@@H](c1nc(C2(c3ccccc3Br)CC2)no1)N(C)C 809517454 FOGIWDOGORFTBY-JTQLQIEISA-N 336.233 3.535 0 50 EHAA Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCC[C@@H](C)C2)nn1C 822416743 ALARMLPFDYVRRT-GFCCVEGCSA-N 346.862 3.871 0 50 EHAA COc1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cc1C 824710848 SLFKRYMXTUFCOF-INIZCTEOSA-N 341.407 3.814 0 50 EHAA Cc1ccncc1CCNC(=O)c1cc2c(N(C)C)cccc2s1 824924757 NXSLZDZVHOQYLK-UHFFFAOYSA-N 339.464 3.643 0 50 EHAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CN[C@@H](C)c1ccncc1Cl 886095440 WMDVZUCEUSIWJI-FVMIAERFSA-N 348.878 3.514 0 50 EHAA COc1ccc(/C=C/CN2CCCN(c3ccncc3C)CC2)cc1 952965219 SPCKUDICGJXLEM-HWKANZROSA-N 337.467 3.624 0 50 EHAA O[C@@H]1C[C@@H]2CN(C[C@@H]3CC3(c3ccccc3)c3ccccc3)C[C@@H]2C1 1857688369 FSEZGYLIWMMKSW-UDKICSLYSA-N 333.475 3.695 0 50 EHAA O=C(Cc1ccc(-c2ccccc2)cc1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2100539644 RHCMPOONQHYZCX-AERCQKQUSA-N 335.447 3.801 0 50 EHAA CC(C)C[C@H](Cc1ccccc1)C(=O)NCC1(C(=O)O)CCCC1 2325820694 IJEXDWDVIDIHBT-QGZVFWFLSA-N 331.456 3.653 0 50 EHAA O=C1c2ccccc2[C@](O)(Cc2ccccc2)N1Cc1ccccc1F 117631 LXEMEILJHSCWGF-JOCHJYFZSA-N 347.389 3.870 0 50 EHAA COc1ccc(-c2nc(NC(=O)c3ccco3)sc2C)cc1OC 260331 HMHJUCMBDYWPTD-UHFFFAOYSA-N 344.392 3.981 0 50 EHAA CC(=O)Nc1ccc(-c2cc(-c3ccc(NC(C)=O)cc3)ncn2)cc1 2469376 FSQCVXMJWTZEAR-UHFFFAOYSA-N 346.390 3.727 0 50 EHAA CCCOc1ccc(CC(=O)N[C@H](C)Cc2ccccc2)cc1OC 2867309 IOTHPMRYOUHXLH-MRXNPFEDSA-N 341.451 3.774 0 50 EHAA COc1ccc(Cl)cc1C1=N/C(=C\c2cccc(F)c2)C(=O)O1 4509267 MDCKPXPBSBJPER-ZSOIEALJSA-N 331.730 3.832 0 50 EHAA CCOc1cc(C=O)c(Cl)cc1OCC(=O)Nc1ccccc1 4840062 PYZWKMRBCYNBDS-UHFFFAOYSA-N 333.771 3.569 0 50 EHAA COc1cccc(-c2noc(/C=C/c3ccc(OC)c(OC)c3)n2)c1 4867091 LRLAWLPBQDJCNQ-CSKARUKUSA-N 338.363 3.933 0 50 EHAA O=C1OC(c2ccccc2)=N/C1=C\c1ccc(F)c(Br)c1 5024324 AWQMJFXORFFKGH-ZROIWOOFSA-N 346.155 3.933 0 50 EHAA CCOc1ccc(C2=NNC(=O)[C@@H](c3cn(C)c4ccccc34)C2)cc1 5196957 JMTAMUWSSSBSOH-QGZVFWFLSA-N 347.418 3.585 0 50 EHAA CC(C)N(CCO)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 12434250 BGWWUNRXLKGRPV-UHFFFAOYSA-N 335.451 3.946 0 50 EHAA COC(=O)c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn12 13645293 FROSUKLDESJRDH-UHFFFAOYSA-N 329.359 3.850 0 50 EHAA CCSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)cn2)n1 13655403 VHWKQFBKYWUPNL-UHFFFAOYSA-N 329.212 3.543 0 50 EHAA COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(C)o3)C2)c(OC)c1 15074498 BSJMJHVEKGHAAS-OAHLLOKOSA-N 343.423 3.700 0 50 EHAA c1ccc(N2CCN([C@H]3CCCN(C4CCCCCC4)C3)CC2)cc1 20448795 GRCXRDVCGRKLAD-QFIPXVFZSA-N 341.543 3.996 0 50 EHAA C[C@@H](c1ccncn1)N(C)Cc1cn(C)nc1-c1cccc(Cl)c1 23478624 HMKDIWYKXINUHS-ZDUSSCGKSA-N 341.846 3.724 0 50 EHAA CCOc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 28293112 RXNWUVZWNJGULK-HXUWFJFHSA-N 338.451 3.652 0 50 EHAA O=S(=O)(c1ccccc1)n1ccc2c(Br)cccc21 38534280 HCVHHKPCZJWQCF-UHFFFAOYSA-N 336.210 3.641 0 50 EHAA Cc1ccc(CN(CCCO)Cc2ccc(-c3cc[nH]n3)s2)s1 55119301 GKNOGUUKYPPELW-UHFFFAOYSA-N 347.509 3.893 0 50 EHAA COCC1(C(=O)NCc2cccnc2Oc2ccccc2C)CCC1 67604504 CJWRVGHXJOTAMN-UHFFFAOYSA-N 340.423 3.615 0 50 EHAA O=c1[nH]c2cc(F)ccc2cc1CN(Cc1cccc(O)c1)C1CC1 67605681 GOUZQUYFZOGTTM-UHFFFAOYSA-N 338.382 3.537 0 50 EHAA CC(C)c1csc(CN2CCc3[nH]cnc3[C@H]2c2ccoc2)n1 67818066 VRUPLEDZTJOMBW-QGZVFWFLSA-N 328.441 3.730 0 50 EHAA COc1cccnc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72430118 CNTHHHBUCDWTIT-UHFFFAOYSA-N 331.379 3.641 0 50 EHAA CNc1cc(C(=O)N2CCC(Sc3ccccc3C)CC2)ccn1 77406769 LXLRMYRVBHDIFT-UHFFFAOYSA-N 341.480 3.829 0 50 EHAA COc1c(F)cc(CN2CCC([C@H](O)CC(C)C)CC2)cc1F 77436297 DJXHAIVFODAQSC-QGZVFWFLSA-N 327.415 3.592 0 50 EHAA CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)CCc1ccccc1F 82139321 NFYADNUJLJCYSX-KRWDZBQOSA-N 340.442 3.743 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)NC[C@@H]1OCCc2ccccc21 91289214 MMJJIUMUZPWKKR-HNNXBMFYSA-N 330.453 3.619 0 50 EHAA CCCc1nc(C(=O)N2CCC(OC)(c3ccccc3)CC2)cs1 91965000 DMVPLCXRGARZCF-UHFFFAOYSA-N 344.480 3.874 0 50 EHAA Cc1ccccc1CN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)CC1 102950820 UCYSKLHQNBHXCM-QRFRQXIXSA-N 326.484 3.512 0 50 EHAA O=C(Nc1ccc(F)cc1OC(F)F)c1cccc(-n2ccnc2)c1 172728126 MBZRNOQRTAGHDA-UHFFFAOYSA-N 347.296 3.865 0 50 EHAA CC(C)c1ccc(C2(O)CCC(NCC3CCOCC3)CC2)cc1 182038630 CQFUBUUDHGYUAT-UHFFFAOYSA-N 331.500 3.956 0 50 EHAA Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)Nc4ccccn4)C3)nc2c1 185522229 UPBOTZPMDRIUHP-CQSZACIVSA-N 335.411 3.678 0 50 EHAA CCCCn1cc(C(=O)N2C[C@H](C)Oc3cc(C)ccc32)c(C)n1 186024651 ONAWFLLORYRDEU-AWEZNQCLSA-N 327.428 3.728 0 50 EHAA CC(C)c1cc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)cc(O)n1 186263336 YAONPRYVXIUEAQ-GFCCVEGCSA-N 326.396 3.770 0 50 EHAA O=C(O)COc1ccc(NC(=O)Cc2cccs2)c2ccccc12 237960293 KUIYFZAUYPWGHJ-UHFFFAOYSA-N 341.388 3.546 0 50 EHAA Cc1nc(C(=O)N[C@@H](c2nc3ccccc3n2C)C(C)C)c(C)s1 252510105 ZBLHEONDROVQAF-OAHLLOKOSA-N 342.468 3.774 0 50 EHAA CCN(C(=O)C(=O)N[C@@H](C)c1ccccc1)[C@H](C)c1ccc(F)cc1 253410576 ZPPTUMROKZNKAH-LSDHHAIUSA-N 342.414 3.613 0 50 EHAA C[C@@]12CO[C@H]3CC[C@@H]4[C@H]3[C@@H]1[C@H]1[C@H]4[C@]3(C)CO[C@@H]4CC[C@H]5[C@H]2[C@@H]1[C@H]3[C@@H]54 253588329 XMMLDTBZMYUXIT-FRCMJRRSSA-N 326.480 3.601 0 50 EHAA CCSc1ccc(NC(=O)N[C@@H](C)Cn2nc(C)cc2C)cc1 299774607 HEYWVTMRTOVTGJ-ZDUSSCGKSA-N 332.473 3.822 0 50 EHAA Cc1ccc2ncccc2c1CNC(=O)[C@@H](C)N(C)C1CCCCC1 299799199 QELSMIVOLPJIFM-MRXNPFEDSA-N 339.483 3.812 0 50 EHAA O=C(c1cccc(Cn2ccnc2)c1)N1CC[C@H](c2ccccc2)C1 338169958 IGHWMTCPEMKSIH-FQEVSTJZSA-N 331.419 3.561 0 50 EHAA CCN(C(=O)c1cn(C)cn1)[C@H](c1cccnc1)c1cc(C)cc(C)c1 367001555 RKIQFWOTFOPSTN-HXUWFJFHSA-N 348.450 3.684 0 50 EHAA CN(CCC[C@H]1CCCO1)C(=O)NCCCn1ccc2ccccc21 426431461 YFKPPYKPNCLADO-SFHVURJKSA-N 343.471 3.632 0 50 EHAA CN(CC[C@@H](O)c1ccccc1)Cc1cnn(-c2ccccc2F)c1 670446182 LNUOSNZUZBXBBO-HXUWFJFHSA-N 339.414 3.567 0 50 EHAA CC1(C)CCC[C@@]1(O)CNc1nn2cc(-c3ccccc3)nc2s1 814905647 MIJBQNIQCOPLOI-GOSISDBHSA-N 342.468 3.811 0 50 EHAA FC(F)c1cc(N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)ncn1 894786988 UGMSEVWSINTQGX-CQSZACIVSA-N 346.381 3.734 0 50 EHAA C[C@H](C1CC1)n1cc(NC(=O)c2nc(-c3ccccc3)ns2)cn1 902923813 PUSVVLYLWAFGJY-LLVKDONJSA-N 339.424 3.625 0 50 EHAA CCCCn1ncc(NC(=O)N2CCC[C@H](C3CCOCC3)C2)c1C 930479977 AONFDPOKEVZRAD-KRWDZBQOSA-N 348.491 3.662 0 50 EHAA c1ccc2[nH]c([C@H]3CCCN(C4CSCCSC4)C3)nc2c1 952867870 ULRGKVWTSVSHNE-ZDUSSCGKSA-N 333.526 3.591 0 50 EHAA Cc1ccc([C@@H](CC(F)(F)F)NCc2nc(C3CC3)nn2C)cc1 1168968258 FTGZWBPTOXNWKQ-CQSZACIVSA-N 338.377 3.784 0 50 EHAA O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)[C@H]1CC1(F)F 1262653854 RJAGNMGDVTVQER-CQSZACIVSA-N 338.741 3.799 0 50 EHAA Cc1nc(C)c(C(=O)N2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)o1 1529147209 WJAHXYXXBHHCKR-DLBZAZTESA-N 342.439 3.920 0 50 EHAA CC(C)n1ccnc1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 1565510060 IHOUGPHNUKKQHV-MOPGFXCFSA-N 337.467 3.974 0 50 EHAA COc1cccc2c1O[C@H](C)C(=O)N(Cc1ccc(Cl)cc1)C2 1775973621 WCNGORWXEXNCLR-GFCCVEGCSA-N 331.799 3.658 0 50 EHAA COCCC1(CN[C@H](C)c2ncc(Br)cc2Cl)CC1 1775985163 HBMWPLOWMMPVHE-SNVBAGLBSA-N 347.684 3.965 0 50 EHAA COCC[C@H]1CCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)C1 1857527144 NSEQODMIQFKYDZ-CQSZACIVSA-N 326.440 3.545 0 50 EHAA Cn1ccc(C=C(CC(=O)O)c2nc3cc(Cl)ccc3s2)n1 1857529969 CLJBCUVFPZCOII-UHFFFAOYSA-N 333.800 3.699 0 50 EHAA O=C(OCc1cccc2ccccc12)c1n[nH]cc1Br 2325744751 LGVBZCIBVWEVST-UHFFFAOYSA-N 331.169 3.682 0 50 EHAA Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C 46824 AKCAAZBJFXSTRU-UHFFFAOYSA-N 343.492 3.947 0 50 EHAA COc1ccccc1C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 293805 UUMBGCFSAFIECI-UHFFFAOYSA-N 344.374 3.681 0 50 EHAA O=C(Cn1nc(Cc2ccccc2)oc1=S)c1ccc(F)cc1 392160 USINYISMQPHHAS-UHFFFAOYSA-N 328.368 3.818 0 50 EHAA Cc1ccc(OCC(=O)NC(=S)Nc2ccccc2Cl)cc1 451162 JPKWCMRRKMXLSI-UHFFFAOYSA-N 334.828 3.540 0 50 EHAA O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccccc1Cl 452633 YEUJIAMFTWFMHX-UHFFFAOYSA-N 326.208 3.515 0 50 EHAA COc1ccc(CCCC(=O)Nc2ccc(C(=O)O)cc2)cc1C 617176 GAWWCQSFWOCRFM-UHFFFAOYSA-N 327.380 3.663 0 50 EHAA C[C@@H](c1ccccc1)n1c(S)nnc1-c1cc(C(C)(C)C)n[nH]1 5490086 ZZZAPGSPUOTQRY-NSHDSACASA-N 327.457 3.864 0 50 EHAA Cc1nn(C)c(C)c1CNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 5921315 KWVCRIYDJFRPAK-FNORWQNLSA-N 338.238 3.673 0 50 EHAA Cc1ccc(CSC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 6070878 VZGFBWQZOIKMRJ-INIZCTEOSA-N 329.421 3.634 0 50 EHAA COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)c2ccccc12 19782460 OKZVLNAEBUBABE-UHFFFAOYSA-N 340.467 3.539 0 50 EHAA OCC[C@H]1CN(Cc2cc3ccccc3s2)CCN1C1CCCC1 20782769 XKRMECMFVSVQKP-SFHVURJKSA-N 344.524 3.713 0 50 EHAA Cc1c(CN[C@H]2CCCN(Cc3ccccn3)C2)c2ccccc2n1C 23373038 WQTSJYUCTCEVAS-IBGZPJMESA-N 348.494 3.636 0 50 EHAA CC(=O)Nc1ccc(NC(=O)Cn2ccc3cc(Cl)ccc32)cc1 32096213 APDCXQWDSWRWRQ-UHFFFAOYSA-N 341.798 3.892 0 50 EHAA CC(=O)NC[C@H]1CCCN(Cc2ccc(C)c(Cl)c2Cl)C1 67894099 MUXJBEZJAYQRPX-CYBMUJFWSA-N 329.271 3.650 0 50 EHAA CC(C)c1ncc(-c2nccn2CCCn2ncc3ccccc32)cn1 71753974 LVPUHZMUUFVHPV-UHFFFAOYSA-N 346.438 3.904 0 50 EHAA O=C(c1ccc(CO)cc1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71776897 IJMJKQXGLHILFS-KRWDZBQOSA-N 341.426 3.803 0 50 EHAA O=C(N[C@H]1COc2ccccc2C1)c1csc(-c2cccs2)n1 82134493 CEFDNIMEPWJUHZ-GFCCVEGCSA-N 342.445 3.605 0 50 EHAA O=C(c1c[nH]nc1C1CCCCC1)N1CCC[C@H]1c1nccs1 91270294 JANVYFWUBHJQNU-AWEZNQCLSA-N 330.457 3.891 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(C)s3)n[nH]2)on1 91907779 XSIKVZTVKCYJBF-CQSZACIVSA-N 342.424 3.720 0 50 EHAA CCSCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN2C 95507645 SNXJIQPSVQZOIV-SFHVURJKSA-N 346.540 3.610 0 50 EHAA O=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 100375346 RVUGRRGBYCPCCD-AWEZNQCLSA-N 335.190 3.737 0 50 EHAA Cc1ccc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c(C)n1 176709203 MTLKZTYCNSDHMH-IEBWSBKVSA-N 339.439 3.988 0 50 EHAA CC(C)[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1ccc(Cl)cc1F 184002878 KAELZGKMATYBOS-PXAZEXFGSA-N 349.837 3.752 0 50 EHAA COc1ccc(-c2csc(NC(=O)CC[C@@H](C)N)n2)cc1Cl 193180356 VPQKGNOLMJGZHS-SECBINFHSA-N 339.848 3.538 0 50 EHAA COc1cc(C(=O)O)c(Br)cc1OCc1ccccc1 218295418 VWPRCDKRKCGEAK-UHFFFAOYSA-N 337.169 3.735 0 50 EHAA in-vitro CC(=O)N1CCC(C(=O)N(CC(C)C)[C@H](C)c2ccccc2C)CC1 241338583 MCAGSUIADRSJQF-QGZVFWFLSA-N 344.499 3.799 0 50 EHAA O=C(CCN1CCC[C@H]1c1ccccn1)Nc1ccc2c(c1)CCC2 244778683 PUVTXTWXQNHCJU-FQEVSTJZSA-N 335.451 3.736 0 50 EHAA CC1=C[C@H](C)[C@H]([C@@H]2OCCN2C[C@H]2COC3(CCCCC3)O2)[C@H](C)C1 247856593 CZMVBBLIMRQMTL-WPVAHCMFSA-N 349.515 3.959 0 50 EHAA Cc1ccc(Nc2nc(CN3CCCC[C@H]3C(=O)O)cs2)cc1 262332938 YKFVTNFBCFDJEK-HNNXBMFYSA-N 331.441 3.634 0 50 EHAA C[C@H]1CCN(C(=O)Cc2ccc(C(=O)O)cc2)[C@@H](c2ccco2)C1 263334708 NCFVGDHRGNCBRK-XJKSGUPXSA-N 327.380 3.520 0 50 EHAA Nc1cc(Br)cc(Br)c1OC(F)(F)F 263623053 DGRLHKJBXSCPMG-UHFFFAOYSA-N 334.917 3.692 0 50 EHAA CCOc1ccccc1N(C)C(=O)c1cccc([C@@H]2CCOC2)c1 270654506 NAZPSVWUGARQAB-QGZVFWFLSA-N 325.408 3.866 0 50 EHAA Fc1cccc(N2CCCC2)c1CNCc1noc2c1CCCC2 288347057 BTRMHODQBYTDRI-UHFFFAOYSA-N 329.419 3.583 0 50 EHAA Cc1ccc(-n2cc(NCc3cnc([C@H](C)O)s3)cn2)c(C)c1 289623117 KAJQBOCHJQIYAN-ZDUSSCGKSA-N 328.441 3.611 0 50 EHAA CCOc1ccc(CCc2nc(-c3cn(C)nc3C(C)C)no2)cc1 292933249 FTGCHWSAHKZZAN-UHFFFAOYSA-N 340.427 3.777 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N1CC[C@H](Oc2ccccc2)C1 299766796 FUTKUZKZXNWSOX-HNNXBMFYSA-N 330.453 3.868 0 50 EHAA O=C(c1ccccc1Oc1ccccc1)N1CCC[C@@H](c2nc[nH]n2)C1 374034384 SAJSTQBCKWGGJS-OAHLLOKOSA-N 348.406 3.617 0 50 EHAA Cc1cccn2c(CN[C@H]3c4ccccc4CC34CCOCC4)cnc12 377790184 ZOSUJZPZQJJQMA-FQEVSTJZSA-N 347.462 3.827 0 50 EHAA O=C(N=c1cc(-c2ccccc2F)o[nH]1)N1C[C@H]2CCCC[C@@H]2C1 408393468 FWRSNUDSDMMHBR-CHWSQXEVSA-N 329.375 3.557 0 50 EHAA Cc1cc(O)ncc1C(=O)NCC1(c2cccc(F)c2F)CCCC1 408514660 RUMQJHFKGFGQSI-UHFFFAOYSA-N 346.377 3.616 0 50 EHAA CCCC[C@@H](NC(=O)C1(N2CCCC2)CCCC1)c1cccnc1 534576646 KMRZCQCLTXBZHY-GOSISDBHSA-N 329.488 3.838 0 50 EHAA COc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc(C(F)F)nc1)C2 657867850 QBAXQHSYZVCRRQ-FZMZJTMJSA-N 334.366 3.682 0 50 EHAA Cn1nc(COc2ccccc2CC(=O)OC(C)(C)C)cc1Cl 863474472 HCVLZQBHPUVBPZ-UHFFFAOYSA-N 336.819 3.537 0 50 EHAA C[C@@H]1CN(C(=O)NCc2cnc(O)c3ccccc23)[C@@H]2CCCC[C@H]12 924813789 NJEMNZKOTKLBGT-DDUZABMNSA-N 339.439 3.661 0 50 EHAA Cc1[nH]nc2c1CN(C(=O)C[C@@H](Cc1ccccc1)c1ccco1)CC2 952869737 ZIJIYMKWCANEPT-QGZVFWFLSA-N 349.434 3.612 0 50 EHAA O=C(NCc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1CCC[C@H](O)C1 1074610546 MWCLZHZQEGEDRD-HIFRSBDPSA-N 333.815 3.767 0 50 EHAA CC1(C)CCN(C(=O)Cc2cnn(-c3ccccc3)n2)c2ccccc21 1274615657 SKDXYELXHXWMCR-UHFFFAOYSA-N 346.434 3.524 0 50 EHAA C=CC(=O)NCc1ccc(C(=O)NC(C)(C)C2CCCCC2)cc1 1321490081 NJZYRXKLFABHIG-UHFFFAOYSA-N 328.456 3.578 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)CN(Cc2cccc(O)c2)C2CC2)cc1 1506401583 DVQJLDPHVRVVKJ-MRXNPFEDSA-N 338.451 3.542 0 50 EHAA Cc1cc(NC[C@H]2CC(=O)N(C3CCCC3)C2)nc2cc(F)ccc12 1529174539 VKSPLPXMILEDPK-CQSZACIVSA-N 341.430 3.885 0 50 EHAA Cc1n[nH]cc1CN(C)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 1565509835 LCDAYRSPHJRCKX-MSOLQXFVSA-N 326.444 3.586 0 50 EHAA Cc1cccc(-c2ccc(CN3C[C@H]4CCCN4C(=O)[C@@H]3C)cc2)c1 1857691677 WFEPWSAOXIQVKZ-LAUBAEHRSA-N 334.463 3.857 0 50 EHAA c1cnc2cc(-c3nccn3[C@H]3CCOC4(CCOCC4)C3)ccc2c1 1857694948 MINXXRPQVOLRFM-SFHVURJKSA-N 349.434 3.999 0 50 EHAA COc1ccc(C)cc1[C@@H](C)NC(=O)c1cnc2snc(C)c2c1 1875258360 LYWJXRXJMFIVDY-LLVKDONJSA-N 341.436 3.808 0 50 EHAA CSc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@]1(C)CCCS1 1875262366 LQDIHCJZGWLAHO-BDJLRTHQSA-N 339.482 3.564 0 50 EHAA Cc1nn(CC(=O)OCCC2=CC[C@H]3C[C@@H]2C3(C)C)c2ncccc12 2325865484 FDAPJBVWZVFXTF-RDJZCZTQSA-N 339.439 3.665 0 50 EHAA O=C(O)c1cccc(-c2ccc(-c3cccc4c3CNC4=O)cc2)c1 2325893846 OAIVHXPLHUPRQE-UHFFFAOYSA-N 329.355 3.962 0 50 EHAA Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C(C)C)s1 199457 CECAQXSVKDGUBM-UHFFFAOYSA-N 328.397 3.877 0 50 EHAA CCOc1cccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)c1 380690 UTOVVAYWQXRNIL-UHFFFAOYSA-N 340.423 3.723 0 50 EHAA COc1ccccc1NC(=S)NC(=O)c1cc2ccccc2o1 455057 RSFJRPOPLMAPKP-UHFFFAOYSA-N 326.377 3.568 0 50 EHAA CC(C)(C)C(=O)COC(=O)c1ccc(NC(=O)c2ccccc2)cc1 461077 BVGKKEOHCPJUIR-UHFFFAOYSA-N 339.391 3.711 0 50 EHAA COc1ccc(Cl)cc1NC(=O)c1cc(=O)c2ccccc2o1 473122 OBQICYIIKFCOJB-UHFFFAOYSA-N 329.739 3.707 0 50 EHAA COc1ccc(NC(=S)Nc2nc3c(s2)CCCC3)cc1OC 609064 AAMNNMZRCYEABN-UHFFFAOYSA-N 349.481 3.848 0 50 EHAA CCC(CC)c1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1 617362 LLJXQESPFNAPEI-UHFFFAOYSA-N 335.429 3.711 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)c1c(Br)c(C)nn1C 2760842 UFYDJKJHXCKLPL-UHFFFAOYSA-N 342.624 3.705 0 50 EHAA CC(=O)Nc1nnc(SCc2cccc(Br)c2)s1 2836206 KBJHMCGXDIXTKH-UHFFFAOYSA-N 344.259 3.551 0 50 EHAA Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CCc2ccccc2)c(C)c1 4543797 XAVRWCLQCAJIGR-KRWDZBQOSA-N 331.481 3.911 0 50 EHAA CC1=CC[C@@H]2C(=O)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)[C@H]2C1 4698244 ADRMBVOXEALUIY-OITRNQOZSA-N 327.468 3.934 0 50 EHAA CC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@H]1C)[C@H]3[C@@H]2C 5528279 YMPPYMYJLCYPBO-MPWRVLAISA-N 330.424 3.751 0 50 EHAA biogenic Cc1nc(-c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2)cs1 6668242 PYYXNAANQQHGKL-LSDHHAIUSA-N 342.420 3.724 0 50 EHAA C[C@@H](NC(=O)c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 6747502 ZHTJUCZCWMSXQC-LLVKDONJSA-N 327.771 3.881 0 50 EHAA CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 9259201 XXBHSYDLVRHPPG-JKSUJKDBSA-N 346.427 3.501 0 50 EHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](N1CCCCC1)C3 11787879 MGJIWRSMSPPMGN-CQSZACIVSA-N 345.512 3.601 0 50 EHAA CC1CCN([C@H]2CCC(=O)N(Cc3ccc(F)cc3F)CC2)CC1 12163303 ZFGJVBOGOCSTDX-KRWDZBQOSA-N 336.426 3.578 0 50 EHAA CCCc1ccc2oc(C(=O)N[C@H](C)c3cnn(C)c3)c(C)c2c1 12206924 JVOZBOSSQIOCKK-CYBMUJFWSA-N 325.412 3.918 0 50 EHAA COc1ccc2nc(SCc3ncc(C)c(OC)c3C)[nH]c2c1 13603907 XURCIPRUUASYLR-UHFFFAOYSA-N 329.425 3.884 0 50 EHAA biogenic,in-man CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)C(C)C)ccc21 15669132 ZFBVUKJRKVHEHH-UHFFFAOYSA-N 339.443 3.594 0 50 EHAA Cc1nn(C)c(Cl)c1-c1nc2c(C)nn(C3CCCCC3)c2[nH]1 20234144 AVTUJIFZOVZOIZ-UHFFFAOYSA-N 332.839 3.935 0 50 EHAA C[C@@H](CNC(=O)Nc1cccc(Cl)c1)Cn1cc(Cl)cn1 20607300 JMYLDRMKSHBHMS-JTQLQIEISA-N 327.215 3.648 0 50 EHAA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](C(=O)O)c1ccccc12 35571214 CLQYVKLGGAFNEB-AWEZNQCLSA-N 331.412 3.527 0 50 EHAA Cc1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(C)n1-n1cnnc1 55344102 LFBJKMBEQNTLEG-UHFFFAOYSA-N 334.427 3.849 0 50 EHAA C/C(=C\c1ccccc1)[C@@H]1CC(=O)NCc2nc3c(C)cccn3c21 65375876 JMGNZBPBXLMLFM-JMPLCFMRSA-N 331.419 3.850 0 50 EHAA Cc1cc(C)c2ccc(C(=O)N3CCC4(CCOCC4)CC3)cc2n1 71747068 XJDWEYGAHFRRQQ-UHFFFAOYSA-N 338.451 3.884 0 50 EHAA Cc1cccnc1Cn1ccnc1-c1ccc(OC(C)C)c(CO)c1 71771362 CYFCMIYRMYCGGG-UHFFFAOYSA-N 337.423 3.581 0 50 EHAA Cc1cccc([C@@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)n1 72457850 JYWKHEVIASZIQQ-OAHLLOKOSA-N 326.440 3.585 0 50 EHAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)CCc4ccncc4)C3)nc12 82115396 OLZBZZJJNWZWLI-QGZVFWFLSA-N 348.450 3.605 0 50 EHAA CC(C)n1ccnc1C1CCN(C(=O)CCc2ccc(F)cc2)CC1 95513111 XSZMEOJNSRPCJW-UHFFFAOYSA-N 343.446 3.942 0 50 EHAA Cc1cccc(Cl)c1NC(=O)N1CCC2(CCC(=O)N(C)C2)CC1 95528212 YXQDYUQXFWRPKR-UHFFFAOYSA-N 349.862 3.515 0 50 EHAA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]21 100251720 LGKLVUFOKKZNPJ-OMNBBPDLSA-N 327.811 3.906 0 50 EHAA Cc1cscc1NC(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O 124410525 ISEUNBQIJVOCCT-MRXNPFEDSA-N 343.452 3.716 0 50 EHAA Cc1ccc([C@@H]2[C@@H]3C(O)=NC(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 137847157 HXGZLAZWQHQABP-ARFHVFGLSA-N 342.782 3.623 0 50 EHAA O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1c(F)cccc1F 141501132 UHKAJQFKUONNTA-OAHLLOKOSA-N 343.333 3.945 0 50 EHAA CN(Cc1cscn1)C(=O)Nc1ccccc1N1CCCCC1 146400734 WHXQPSHSKDOFQE-UHFFFAOYSA-N 330.457 3.797 0 50 EHAA CNC[C@H]1CCN(C(=O)c2ccccc2Nc2cccc(C)c2C)C1 179020687 HFEZPPPNSTWPOV-QGZVFWFLSA-N 337.467 3.729 0 50 EHAA Cc1ccn(C)c(=O)c1NC(=O)c1ccc(Cl)cc1C(F)(F)F 186291377 NBLSLUAVCBYUGU-UHFFFAOYSA-N 344.720 3.618 0 50 EHAA C[C@H](Nc1ccn(-c2ccccc2Cl)n1)c1nc(C2CC2)no1 188601749 TZODZANZAAALLJ-JTQLQIEISA-N 329.791 3.959 0 50 EHAA COC[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 219492438 VVRRSRRXTHJFBU-JTQLQIEISA-N 335.753 3.857 0 50 EHAA Cc1ccccc1NC(=O)[C@H](NC(=O)[C@H]1CCCC[C@H]1C)C(C)C 239046986 GAZUVZLPACJRCH-UWWQBHOKSA-N 330.472 3.901 0 50 EHAA C[C@H](NC(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cccnc1 250159701 FHOONPAMCJABFX-SNRMKQJTSA-N 339.439 3.610 0 50 EHAA CCOC(=O)c1sc2ncnc(N[C@H]3C[C@H](C)O[C@H](C)C3)c2c1C 252512629 TZIICVVHGQPSHZ-PEGIJTEDSA-N 349.456 3.544 0 50 EHAA C[C@H]1C[C@H](c2cccnc2)N(Cc2cn3cc(Cl)ccc3n2)C1 253396592 ANERHEYPLKFHOA-SUMWQHHRSA-N 326.831 3.966 0 50 EHAA CC(C)(C)Sc1cc(CNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)ccn1 253432135 WQGRFNAPUNHARX-LBTNJELSSA-N 334.485 3.546 0 50 EHAA C[C@@]12CO[C@@H]3CC[C@H]4[C@H]5[C@H]([C@H]1[C@@H]43)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]3OC[C@]5(C)[C@H]1[C@H]32 253588332 XMMLDTBZMYUXIT-UICHXSCHSA-N 326.480 3.601 0 50 EHAA C[C@@H]1CCc2c(C(=O)Nc3n[nH]cc3Br)csc2C1 294061426 XTUNXZRTGMTOQV-SSDOTTSWSA-N 340.246 3.611 0 50 EHAA Cc1ccnc(C2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)n1 371790073 VIPLUXQAIPBAFU-UHFFFAOYSA-N 334.423 3.595 0 50 EHAA CCn1ccnc1[C@@H]1OCC[C@H]1CNc1ccc(C(F)(F)F)cn1 664376810 KCENDRPXLRUFSN-SMDDNHRTSA-N 340.349 3.507 0 50 EHAA NC(=O)c1cc(NC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)ccc1F 666241915 XIRZEGLINHGFNR-ZBFHGGJFSA-N 340.398 3.522 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)NCCc2nc(C(C)C)cs2)no1 670447821 QIESYFJWXDGVGQ-OAHLLOKOSA-N 348.472 3.652 0 50 EHAA CCc1nc2cc(N[C@H]3CCN(c4ccc(C)cc4)C3=O)ccc2o1 743474178 YHXMOPFVPKQXFC-INIZCTEOSA-N 335.407 3.916 0 50 EHAA O=C(N[C@H](CCO)c1cccs1)c1ccc2ccc(Cl)cc2n1 761923388 JUUITQSIEMSUBU-CYBMUJFWSA-N 346.839 3.803 0 50 EHAA Cc1ncsc1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1C 828172241 LUMUJYYEFQJICU-UHFFFAOYSA-N 331.441 3.541 0 50 EHAA C[C@H]1CN(C(=O)Cc2ccc(C(F)(F)F)nc2)CCc2ccccc21 888092887 NFFAADRQQQPDOG-ZDUSSCGKSA-N 348.368 3.831 0 50 EHAA CCc1nc(C)c(CNC[C@@H](c2ccccc2)N2CCCCCC2)[nH]1 952974462 VYIUHDLABLUHBR-FQEVSTJZSA-N 340.515 3.987 0 50 EHAA O=C(O)[C@H]1C[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)C1 1346236950 DKZHZZWGDUOZRQ-GUTXKFCHSA-N 349.839 3.718 0 50 EHAA Cc1nocc1NC(=O)N[C@]1(C(F)(F)F)CCc2ccccc21 1347824881 BRRVSECITWDISL-CQSZACIVSA-N 325.290 3.509 0 50 EHAA CC(C)c1nc2ccccn2c1NC(=O)Nc1ccc2c(c1)CC(=O)N2 1477120330 OJVQBIQTFDCSJI-UHFFFAOYSA-N 349.394 3.596 0 50 EHAA CC(=O)c1cc(CC(=O)N(C)[C@H](C)c2nc(C)sc2C)cs1 1506405744 BRLLDQSKUBJPRY-SECBINFHSA-N 336.482 3.786 0 50 EHAA COc1ccc(-c2ccc(Cl)c(Cl)c2)cc1Cc1nn[nH]n1 1775991828 VUPPWTHLKUYZAK-UHFFFAOYSA-N 335.194 3.773 0 50 EHAA O=C(O)c1ccccc1CC1CCN(Cc2ncoc2C2CC2)CC1 2325787800 XSHJVVLTRLDLKK-UHFFFAOYSA-N 340.423 3.705 0 50 EHAA CCOc1ccc(CCCC(=O)N[C@H]2CC[C@H](OC)CC2)cc1C 2356137432 XQTIPAXZXNKQSU-IYARVYRRSA-N 333.472 3.790 0 50 EHAA Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3cccc(O)c3)nn12 184347 NUPGBBOOIBGQDL-UHFFFAOYSA-N 344.374 3.663 0 50 EHAA O=C(Nc1ccc(F)cc1)c1ccc(I)cc1 298830 RFSSQJNYVYNUSG-UHFFFAOYSA-N 341.123 3.683 0 50 EHAA CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cccs2)NC(=O)N1C 321712 IISCGYNMTYMPPU-MRXNPFEDSA-N 341.436 3.665 0 50 EHAA CC(=O)Nc1ccc2c(c1)Cc1cc(I)ccc1-2 398762 NXIYCGXUWMUYIG-UHFFFAOYSA-N 349.171 3.821 0 50 EHAA O=C1c2ccccc2C(=O)N1CNc1ccc2c(c1)Cc1ccccc1-2 437799 RDHANRRGTWPLBO-UHFFFAOYSA-N 340.382 3.923 0 50 EHAA O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@H]1CCCO1 617442 FIIJMKHUYCMHQP-MRXNPFEDSA-N 329.783 3.689 0 50 EHAA CCOC(=O)c1ccc(NC(=O)CCCOc2cccc(C)c2)cc1 1773737 KMDYWAUAURAHHZ-UHFFFAOYSA-N 341.407 3.969 0 50 EHAA CCCn1c([C@H](C)NC(=O)c2ccccc2OC)nc2ccccc21 3896671 VEOSHHCZWMYUEZ-AWEZNQCLSA-N 337.423 3.946 0 50 EHAA COc1cc(OC)cc(-c2n[nH]c(SCc3ccc(F)cc3)n2)c1 5910413 JJPMYPFFWOKBKV-UHFFFAOYSA-N 345.399 3.920 0 50 EHAA COc1ccc(-c2c(Cc3ccccc3)nn3c(=O)cc(C)[nH]c23)cc1 6682006 NFMOXJBOZVGPRN-UHFFFAOYSA-N 345.402 3.597 0 50 EHAA O=C(CCc1ccccc1)Nc1cccc(OC[C@@H]2CCCO2)c1 10296591 RMKNEFHRNFCXSW-IBGZPJMESA-N 325.408 3.816 0 50 EHAA C[C@H](c1ccco1)N1C(=O)CC[C@H]1CCNCc1ccc(F)cc1 11784069 QZPHZCTYLSLPIU-PBHICJAKSA-N 330.403 3.651 0 50 EHAA CCC(CC)C(=O)Nc1sc(Nc2ccc(C)cc2)nc1C(N)=O 12418812 UFFFUUXVOOYUCN-UHFFFAOYSA-N 346.456 3.669 0 50 EHAA COc1ccccc1Oc1ncccc1CNC(=O)c1occc1C 12449383 ULDVDRANPANZEP-UHFFFAOYSA-N 338.363 3.714 0 50 EHAA CCCCC[C@@H](O)CC[C@H]1CCC(=O)N1CCCCCCC(=O)O 13488373 CBWGHEDGUILASE-DLBZAZTESA-N 341.492 3.734 0 50 EHAA in-vitro Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC[C@H]1CO 13596150 UNOYRSBANJKEAG-AWEZNQCLSA-N 340.345 3.626 0 50 EHAA C/C=C/C=C(/NC(=O)c1ccccc1)C(=O)Nc1cccc(OC)c1 16671528 DUJVZCGUKFERJT-FLXMTRENSA-N 336.391 3.524 0 50 EHAA Cc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 20398454 XHNKRAMOYADOPJ-QGZVFWFLSA-N 342.826 3.892 0 50 EHAA COc1cccc(C(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c1 36358693 IJEFWFVCUODRLD-UHFFFAOYSA-N 335.285 3.843 0 50 EHAA O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCSCC1 40286711 JMRUQAVQRUHQQH-UHFFFAOYSA-N 336.460 3.884 0 50 EHAA COC(C)(C)C(=O)N1CCC(c2[nH]ncc2-c2cccc(C)c2)CC1 67909253 MCBPTFOETMRIDP-UHFFFAOYSA-N 341.455 3.516 0 50 EHAA Cc1nccn1CC[C@@H]1CCCCN1Cc1ccc(O)cc1Cl 77505770 XMNKLAGQMKQFLZ-INIZCTEOSA-N 333.863 3.995 0 50 EHAA Cc1nc(-c2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)n[nH]1 77544203 SZYFRZUCBXGYMU-UHFFFAOYSA-N 344.777 3.754 0 50 EHAA O=C(N[C@H]1CCCc2nc(-c3ccccc3)ncc21)c1ccccc1O 91829554 QOWWVIQECZJNKK-SFHVURJKSA-N 345.402 3.657 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 95518828 YLOLSCZPZPQDNS-GOSISDBHSA-N 325.456 3.632 0 50 EHAA Cc1cc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)ccn1 119543209 SZTXUPVTSPJRGG-FUHWJXTLSA-N 325.412 3.679 0 50 EHAA Cc1cccc(-n2cc(C(=O)Nc3ccccc3C(F)(F)F)nn2)c1 132725178 LNGCEBGQUOHJIN-UHFFFAOYSA-N 346.312 3.847 0 50 EHAA C[C@@H]1CCC[C@@H](C)N(C(=O)c2cccc(OCC(F)(F)F)n2)C1 150775751 COFFFBNQOBFBAA-VXGBXAGGSA-N 330.350 3.673 0 50 EHAA CCOc1cc(S(=O)(=O)NC2CCCCCC2)c(C)cc1C 170615078 XWYRWPJPNAFYLV-UHFFFAOYSA-N 325.474 3.703 0 50 EHAA O=C(NCCc1cc(F)cc(F)c1)c1cc(O)ccc1C(F)(F)F 189298012 WJJBWUWOEFTNFP-UHFFFAOYSA-N 345.267 3.662 0 50 EHAA O=C(Nc1ccc2sncc2c1)N[C@@H](CCCO)c1ccccc1 190768224 PCDHCZOHOQNCDB-INIZCTEOSA-N 341.436 3.932 0 50 EHAA Cc1ccc(CN[C@@H]2CC(C)(C)OC2(C)C)c(-n2cc(Cl)cn2)n1 191534474 PNSPQKNLVSUYFM-OAHLLOKOSA-N 348.878 3.665 0 50 EHAA O[C@H](c1ccccc1)c1nccn1Cc1ccc(Cl)nc1Cl 195502364 FOWOWOWUGRHXEX-CQSZACIVSA-N 334.206 3.715 0 50 EHAA c1csc([C@H](NCc2ccnc(OC3CCC3)c2)c2ncc[nH]2)c1 252509421 YNQYZVFPSIIIIF-KRWDZBQOSA-N 340.452 3.677 0 50 EHAA S=C1O[C@]2(C[C@@H]3C=C[C@@H]4C=C[C@@H]2[C@H]43)[C@@]2(C[C@@H]3C=C[C@H]4C=C[C@H]2[C@H]43)O1 257357162 MJCXAPCUBRDHDH-VIMSQHNMSA-N 336.456 3.812 0 50 EHAA Cn1cccc1CNCc1cccc2c1N(C(=O)OC(C)(C)C)CC2 268116353 KRXHJRBOYUPIHU-UHFFFAOYSA-N 341.455 3.613 0 50 EHAA O=C(O)C[C@@H]1CCCN(CCOc2ccccc2C(F)(F)F)CC1 299746812 ZZJGETBBRAZSGM-CYBMUJFWSA-N 345.361 3.661 0 50 EHAA CCc1nc(CN2CCC(c3ccccc3C(=O)O)CC2)cs1 328587770 HQEPLRQDBXVUGP-UHFFFAOYSA-N 330.453 3.783 0 50 EHAA O=C(c1coc(C2CCCC2)n1)N1CCC(OC2CCCC2)CC1 328770650 COPXRAHATMHLJP-UHFFFAOYSA-N 332.444 3.896 0 50 EHAA O=C(c1ccc(OC2CCCCC2)cc1)N1CC[C@]2(CN=C(O)C2)C1 329914853 YAQUOCCEIMSDHL-FQEVSTJZSA-N 342.439 3.591 0 50 EHAA Cc1cc(-c2nc(-c3n[nH]c4ccccc34)no2)nn1-c1ccccc1 356797982 FDYMZWJHHGVJBM-UHFFFAOYSA-N 342.362 3.774 0 50 EHAA OC[C@@]1(Cc2ccccc2)CCCN1Cc1cc2ccccc2nc1O 365073049 TWTHSCRRVYGIFM-QFIPXVFZSA-N 348.446 3.510 0 50 EHAA CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)c1ocnc1C1CC1 408521713 KKIJCWHXXUUIHF-AWEZNQCLSA-N 348.443 3.669 0 50 EHAA CC(C)c1ccc([C@H]2CCCCN2C(=O)COC2CCNCC2)cc1 423898886 GEYPAYMFEVOWBK-HXUWFJFHSA-N 344.499 3.632 0 50 EHAA CO[C@H]1CC[C@@]2(OC)CCN(C(=O)CCCCc3ccccc3)[C@H]2C1 426487334 KDKGBCMGPLUZKQ-IRFCIJBXSA-N 345.483 3.584 0 50 EHAA CCC(CC)n1ncc(C(=O)Nc2cccc(C(C)=O)c2O)c1C 436946300 AFZGPKZAQJTJAW-UHFFFAOYSA-N 329.400 3.713 0 50 EHAA Cc1nc([C@@H]2CCCN([C@H](C(=O)O)c3ccc(F)cc3)C2)sc1C 652407368 JNGNUSQLXNLJDU-ZBFHGGJFSA-N 348.443 3.904 0 50 EHAA O=C(Nc1cccc(-n2cccn2)c1)c1conc1-c1ccccc1 828207913 FQIHYSRGUYCPNZ-UHFFFAOYSA-N 330.347 3.780 0 50 EHAA O=C(Nc1ccc2cc(Cl)cnc2n1)c1coc(C2CCC2)n1 900103699 IQRFHCQCENZXIH-UHFFFAOYSA-N 328.759 3.791 0 50 EHAA COc1cc(NC(=O)[C@@H](C(=O)O)C(C)C)c(C2CC2)cc1Cl 909918114 MAWPLIJGKGTVLS-AWEZNQCLSA-N 325.792 3.521 0 50 EHAA Cc1c(CN(CCN(C)C)C[C@H]2CCCO2)[nH]c2c(Cl)cccc12 952978985 CQYMCARAVUGBDD-OAHLLOKOSA-N 349.906 3.672 0 50 EHAA CCCCc1nc(CN2CCC(C3CCNCC3)CC2)c(Cl)[nH]1 1235702383 UDAYXPKDDGTSPV-UHFFFAOYSA-N 338.927 3.617 0 50 EHAA Cn1ccc2ccc(CN(Cc3ccncc3)C[C@H]3CCCO3)cc21 1506421485 ICYLYUZWSOJGRH-HXUWFJFHSA-N 335.451 3.755 0 50 EHAA C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1ccc(F)c(O)c1 1772704443 IUHBIYJRTREBFZ-LBPRGKRZSA-N 339.370 3.755 0 50 EHAA 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349.434 3.517 0 50 EHAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC[C@H](C(N)=O)C1 71707831 JOTVVFZIACAMQS-SFHVURJKSA-N 349.434 3.501 0 50 EHAA Cc1ccc(-c2nccn2CCNC(=O)c2ccccc2Cl)cc1 72408621 JAXRZONKNFCWSM-UHFFFAOYSA-N 339.826 3.942 0 50 EHAA CNc1nc(C(=O)N(C)Cc2csc(-c3ccccc3)n2)cs1 72410520 BFIRXZMVKSONTD-UHFFFAOYSA-N 344.465 3.581 0 50 EHAA C[C@H]1CCCCN1C1CN(C(=O)Nc2cc(F)cc(F)c2Cl)C1 97604136 PKJMATZGPLZDMP-JTQLQIEISA-N 343.805 3.709 0 50 EHAA Cn1ccnc1-c1csc(NC(=O)C(C)(C)Cc2ccccc2)n1 125685905 WQUYZCYVPAHJLL-UHFFFAOYSA-N 340.452 3.751 0 50 EHAA Cc1c(NC(=O)c2ccc(C(F)(F)F)nc2)cnn1-c1ccccc1 129487761 IODSHGFSTMLJSA-UHFFFAOYSA-N 346.312 3.847 0 50 EHAA Cn1cc([C@H]2CCCN2Cc2ccccc2OCc2ccccn2)cn1 131878276 OUGAWPJYJKEDLJ-HXUWFJFHSA-N 348.450 3.731 0 50 EHAA O=c1[nH]c2c(s1)[C@@H](c1ccc(O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 169687565 INQVDHLYPDIHJN-KYYPQDQFSA-N 331.462 3.794 0 50 EHAA Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccncc1Cl 174226805 HYQFDYNRGQQCSE-UHFFFAOYSA-N 331.803 3.890 0 50 EHAA 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3.720 0 50 EHAA CN1CCC[C@]2(CCCN2C(=O)c2cccc(-c3ccccc3)c2)C1=O 2356148505 BHYWYTPRHFTPJD-QFIPXVFZSA-N 348.446 3.581 0 50 EHAA CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(=O)O)cc2)cc1 101114 LZHCYHMPYWQGBN-UHFFFAOYSA-N 327.380 3.700 0 50 EHAA CC(C)c1nnc(NC(=O)c2ccc(Br)cc2)s1 206942 LXLXBTGTFWQUTI-UHFFFAOYSA-N 326.219 3.676 0 50 EHAA COc1cc(CO)c(Br)cc1OCc1ccccc1F 469725 WQAPWQHXVWXTLC-UHFFFAOYSA-N 341.176 3.668 0 50 EHAA COc1cccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 2838955 NKHDSLLIYYDUIH-UHFFFAOYSA-N 327.424 3.802 0 50 EHAA COc1ccc(-c2cc(C(=O)N3[C@H](C)CCC[C@H]3C)no2)cc1OC 3908075 QGEXVTRVLVLYGD-CHWSQXEVSA-N 344.411 3.762 0 50 EHAA CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3)o2)cc1 6697429 XBBXUKNCPHEFKO-UHFFFAOYSA-N 325.393 3.987 0 50 EHAA CCCCOc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1 8388791 JFXCAMOZHZSKFS-UHFFFAOYSA-N 332.488 3.860 0 50 EHAA Cc1cccc(OCC(=O)Nc2ccccc2OC[C@H]2CCCO2)c1 10155820 YQBVJVGPHFAEFT-QGZVFWFLSA-N 341.407 3.570 0 50 EHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(C)C)C1 12208344 KAVCUINNWJFGAH-SFHVURJKSA-N 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NPMXTOBXOZIWPE-UHFFFAOYSA-N 332.451 3.775 0 50 EHAA OCCCn1cnc(-c2ccccc2)c1-c1ccc(-c2ccn[nH]2)o1 67675712 QQCNAZCODXBZGF-UHFFFAOYSA-N 334.379 3.583 0 50 EHAA CN1CCCC[C@H]1CCC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 67805377 WKHAERVHZBHWIW-SFHVURJKSA-N 339.483 3.923 0 50 EHAA COc1cccc(C[C@H]2CN(Cc3cc4ccccc4[nH]3)CCO2)c1 71738595 NFUDRNFTMUVSSN-FQEVSTJZSA-N 336.435 3.620 0 50 EHAA CCC[C@H]1C[C@H]1C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 71751807 BRZNCLJXMGXVAI-WCQYABFASA-N 345.393 3.676 0 50 EHAA Cc1cc(Cl)cc2c(N3CCO[C@H](C(F)(F)F)C3)ccnc12 71754093 VRKIPFBBKGEAJY-ZDUSSCGKSA-N 330.737 3.964 0 50 EHAA c1ccc(CC[C@H]2CN(Cc3ccccc3-n3cccn3)CCO2)cc1 71763245 WIFMYZHFSDQBMD-NRFANRHFSA-N 347.462 3.706 0 50 EHAA CCCCN1C(=O)CC[C@H]2CN(C(=O)c3ccccc3Cl)CC[C@H]21 72423111 CPIQKCPXEGGMDC-WMLDXEAASA-N 348.874 3.593 0 50 EHAA CC(C)c1cc(C(=O)N[C@@H](C)c2cnn(-c3ccccc3F)c2)no1 85532810 LIFHZFSVZAHHSJ-LBPRGKRZSA-N 342.374 3.614 0 50 EHAA CCCOC[C@H]1CCN(C(=O)COc2ccc(Cl)cc2Cl)C1 91255663 FLYBWHDJRIZDKU-LBPRGKRZSA-N 346.254 3.647 0 50 EHAA COc1ccc2c(c1)CCN(C(=O)c1sc(C(C)C)nc1C)CC2 95375432 VGIVRKZPQWWXAH-UHFFFAOYSA-N 344.480 3.825 0 50 EHAA c1cncc([C@@H]2CN(Cc3ccccc3OC3CCCC3)CCO2)c1 97813708 GWRCZVYKGGUGJI-NRFANRHFSA-N 338.451 3.977 0 50 EHAA O=C1C[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 100554910 SUWHLEHAYOBXIL-ZDUSSCGKSA-N 344.208 3.571 0 50 EHAA CC(C)=CCN1CCN(C/C(Cl)=C/c2ccccc2)C[C@H]1CCO 105278859 KNIQHPQNZMHPLQ-GRTQGXPSSA-N 348.918 3.601 0 50 EHAA COc1ccc([C@@H](C)NCc2cccc(Br)n2)cc1F 161712970 MSJCVOPCEJESFM-SNVBAGLBSA-N 339.208 3.843 0 50 EHAA C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](C)CC[C@H]2C)s1 162015881 LEQOURZQKRJLNI-SYQHCUMBSA-N 334.485 3.774 0 50 EHAA Cc1c(Cl)ccc2ccc(NC(=O)[C@@H](N)c3ccccc3)nc12 170070845 ADMXSUAMKRLLBZ-INIZCTEOSA-N 325.799 3.835 0 50 EHAA CC(C)c1c(NC(=O)[C@@H]2CCCO2)cnn1-c1ccccc1Cl 192158460 MYWAYPFQEJSGRE-HNNXBMFYSA-N 333.819 3.767 0 50 EHAA CC[C@@H]1CN(C(=O)c2sc(C)nc2-c2ccccc2)CC[C@]1(C)O 211568449 ZEEQSDUNUQOMSH-BEFAXECRSA-N 344.480 3.742 0 50 EHAA CC(C)c1ccc(-c2ncc(CN3CCC[C@H]3C(=O)O)s2)cc1 236852350 FDJKOKDUBQRETK-INIZCTEOSA-N 330.453 3.983 0 50 EHAA COc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c(C)n1 241846676 SMSRCULFMGLIFH-NSHDSACASA-N 331.338 3.593 0 50 EHAA Fc1ccc([C@H](N[C@H]2CCN3CCC[C@H]3C2)c2cccnc2)cc1 253370583 SQDVGCZMAIJVAC-UFYCRDLUSA-N 325.431 3.527 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253536318 MRURHGKZPVRRKA-GFIIKOOJSA-N 330.468 3.982 0 50 EHAA COc1ccc(CC(=O)N(C)[C@H]2CCCc3nc(C)sc32)cc1F 264807702 VSGCXTOMWMOMJM-HNNXBMFYSA-N 348.443 3.678 0 50 EHAA Cc1nc(NC(=O)[C@H]2CO[C@H](C)C2)sc1Cc1ccc(F)cc1 331445730 OEOYNSBUDQKXBU-ZWNOBZJWSA-N 334.416 3.545 0 50 EHAA CC(=O)c1ccccc1C(=O)N(C)Cc1ccc(OC(F)F)cc1 360176282 UNSCYTRPKUWGEV-UHFFFAOYSA-N 333.334 3.763 0 50 EHAA c1cn2cnnc2c(N2CCC[C@@H]2c2nc(C3CCCCC3)co2)n1 370318345 XSMRCUCZBUWWII-OAHLLOKOSA-N 338.415 3.502 0 50 EHAA Cc1cc(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)ns1 425563156 DCGJBBRIWKCNBM-UHFFFAOYSA-N 338.436 3.904 0 50 EHAA Cc1cc(-c2ccc(C(=O)N(C)Cc3ncc(C)[nH]3)cc2)cc(C)n1 426370731 XUHGUJIFGXEYTK-UHFFFAOYSA-N 334.423 3.669 0 50 EHAA CCOc1ccc(CC(=O)N[C@H]2CCCc3cn(C(C)C)nc32)cc1 780425333 UZXMRJVIWIJNLB-SFHVURJKSA-N 341.455 3.599 0 50 EHAA Cc1ccc(NC(=O)c2cn(CC(F)F)nc2C)cc1N1CCCC1 828997303 IFGYZZUTUFJNGQ-UHFFFAOYSA-N 348.397 3.618 0 50 EHAA CCc1cc2c(N3CC(c4ncc(C5CC5)cn4)C3)ncnc2s1 894899105 YWIPNHYBMKHTJG-UHFFFAOYSA-N 337.452 3.525 0 50 EHAA O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCC[C@H]1c1cc[nH]n1 935921915 ZQLMDPKMYKPLMJ-IBGZPJMESA-N 334.423 3.696 0 50 EHAA CC(C)c1cc(NC[C@@H](c2cccnc2)N2CCCCC2)ncn1 1772712173 ORJFYBQSLJTUDB-SFHVURJKSA-N 325.460 3.634 0 50 EHAA Brc1ccc2c(c1)CC[C@H](NCc1cc(C3CC3)n[nH]1)C2 1857530810 ADPCFJYIXGQLDL-HNNXBMFYSA-N 346.272 3.697 0 50 EHAA CC(C)Cc1ccc(-c2nccn2[C@H]2COC3(CCNCC3)C2)cc1 1857711246 PRWRAVUCTSDJQR-LJQANCHMSA-N 339.483 3.832 0 50 EHAA CC(C)[C@H](NC(=O)c1ccc(CC(=O)O)cc1)c1ccccc1F 1875268947 WHCIFDGLVRMOJO-SFHVURJKSA-N 329.371 3.580 0 50 EHAA COc1ccncc1CC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 2325758235 CYOBEYXDZSVUMR-MRXNPFEDSA-N 330.815 3.650 0 50 EHAA O=C(COc1ccccc1)Nc1ccc(NC(=O)c2ccccc2)cc1 139465 IISAAZZNYWXCFO-UHFFFAOYSA-N 346.386 3.956 0 50 EHAA COc1cc(OC)c(NC(=O)COc2ccc(C)c(C)c2)cc1Cl 318712 BXGSTDSKWKJQMM-UHFFFAOYSA-N 349.814 3.992 0 50 EHAA CCN(C(=O)COc1ccc(Br)cc1)c1ccccc1 358956 QNXZTMMUMCVCHY-UHFFFAOYSA-N 334.213 3.881 0 50 EHAA COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc(OC)c1 445823 KFWHQRAGEOGVGM-SXGWCWSVSA-N 343.766 3.702 0 50 EHAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1CO 455209 QUEUTXWGRAXTSA-UHFFFAOYSA-N 326.179 3.503 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 617025 WVADQTZFRBPHTM-UHFFFAOYSA-N 329.780 3.679 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 618012 SFDVMRCFZBWUIL-UHFFFAOYSA-N 345.342 3.905 0 50 EHAA O=C(c1csc2c1CCCC2)N1CCN(c2ccc(F)cc2)CC1 1002665 CEYWCNJCKMHIKR-UHFFFAOYSA-N 344.455 3.728 0 50 EHAA CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(Br)cc1 1049161 BNIZQHUAQSFRRB-UHFFFAOYSA-N 348.306 3.942 0 50 EHAA COc1ccc(Cl)cc1[C@H]1CC(=O)Nc2cc3c(cc21)OCCO3 1067764 UNQMIYDPUMVTTO-NSHDSACASA-N 345.782 3.594 0 50 EHAA C[C@@H]1C[C@@H](C[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)C(=O)O1 1114196 LBCZDKHOYGQIOO-OPRDCNLKSA-N 330.211 3.910 0 50 EHAA CCOC(=O)C[C@H](NC(=O)Cc1ccccc1)c1ccccc1Cl 3627296 BMFSZGZNTNPNRZ-KRWDZBQOSA-N 345.826 3.693 0 50 EHAA CCCCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1 4611124 NJZYZULFHJELQX-FOWTUZBSSA-N 346.814 3.620 0 50 EHAA O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccccn1 4712012 VWOPWCATXVEFNF-UHFFFAOYSA-N 327.434 3.936 0 50 EHAA COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1OC(C)=O 4868732 XOARZRKKQDDVIF-UHFFFAOYSA-N 333.771 3.835 0 50 EHAA C[C@H](NC(=O)CCn1cc(Cl)cn1)C12CC3CC(CC(C3)C1)C2 6521684 FKMQJUAWHPKMFN-IHWZXDPASA-N 335.879 3.648 0 50 EHAA COc1ccc(CCc2nnc(NC(=O)c3ccccc3)s2)cc1 9355775 BUESPRHORIOXJK-UHFFFAOYSA-N 339.420 3.584 0 50 EHAA biogenic COc1cccc(CC[C@@H]2CCCN(C(=O)c3ccc(C)nc3)C2)c1 12458435 QRLMGPMLCOCQSQ-SFHVURJKSA-N 338.451 3.884 0 50 EHAA CCOc1ccc(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 15933761 AJPMUEZCIJDRBK-GFCCVEGCSA-N 328.368 3.697 0 50 EHAA CCc1nc(C)cn1S(=O)(=O)c1cc(C)c(Cl)cc1Cl 16578271 BUUXROVXXHYJSK-UHFFFAOYSA-N 333.240 3.606 0 50 EHAA CCCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C 16624382 WPQOPUXNGIUGIE-UHFFFAOYSA-N 328.460 3.688 0 50 EHAA Cc1ccc(C)c(NC(=O)COCc2cc(-c3ccco3)on2)c1 20357182 PHNLALZNUOBAFK-UHFFFAOYSA-N 326.352 3.707 0 50 EHAA CCOc1ccccc1-c1nc(CN2C[C@H](C)O[C@H](C)C2)c(C)o1 20778370 VHLLRDQWHJRXCM-OKILXGFUSA-N 330.428 3.658 0 50 EHAA O=C(Cc1csc(-c2ccccc2)n1)N(Cc1cccnc1)C1CC1 28515262 ISJHDGHDBYVLTB-UHFFFAOYSA-N 349.459 3.939 0 50 EHAA CCc1nc(N2CCN(c3ccccc3)CC2)c2cc(C)sc2n1 41090678 BNMQUHBGDMULJE-UHFFFAOYSA-N 338.480 3.889 0 50 EHAA CCSc1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 55703830 FBYUSBCFCLMXIX-CYBMUJFWSA-N 332.469 3.528 0 50 EHAA COc1cccc(C(=O)N2Cc3cnc(-c4ccccc4)nc3C2)c1C 67654767 GEXIPYICAHARTA-UHFFFAOYSA-N 345.402 3.617 0 50 EHAA CN1CCC[C@H]1CCn1ccnc1-c1ccc(Oc2ncccn2)cc1 67739522 ZHATWUXFTAQEAI-KRWDZBQOSA-N 349.438 3.617 0 50 EHAA C[C@@H]1CCCCN1C1CN(Cc2cnc(C3CCCCC3)nc2)C1 72131760 GRKDTLKLBFFUDS-MRXNPFEDSA-N 328.504 3.583 0 50 EHAA c1ccc(-c2cc(NCCCOc3cccnc3)n3nccc3n2)cc1 72144169 LHEWNYNRSQJOFY-UHFFFAOYSA-N 345.406 3.672 0 50 EHAA CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccccc1 72436783 JCQWHHPTWWFNNX-UHFFFAOYSA-N 327.771 3.662 0 50 EHAA Clc1ccccc1C1(c2ccnc(NCC3CC3)n2)CCNCC1 72480216 JEHGCODYXSIVEK-UHFFFAOYSA-N 342.874 3.621 0 50 EHAA COCCC[C@H]1CCCCN1Cc1cnn(-c2ccccc2F)c1 77393284 QIAWJWCWKGDFKL-QGZVFWFLSA-N 331.435 3.793 0 50 EHAA CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)CSc1ccccc1 82156362 DURWYPUEAPXICE-QGZVFWFLSA-N 340.492 3.764 0 50 EHAA CC(C)(C)OC(=O)N1CCN[C@@H](c2cccc(Cl)c2Cl)C1 90635901 UQFCGECXOICQHY-GFCCVEGCSA-N 331.243 3.875 0 50 EHAA Cc1ccc2nc(C(=O)N(C)Cc3nc4ccccc4s3)cn2c1 91664908 PRSLYZISGFUIQH-UHFFFAOYSA-N 336.420 3.525 0 50 EHAA Cc1c(F)cccc1CN1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 91792923 VIAGVMVRPZQTLJ-AZUAARDMSA-N 339.458 3.626 0 50 EHAA CN(Cc1ccc2nsnc2c1)C(=O)C[C@H]1CCc2ccccc21 92003157 MVFXBNUNHLNCPI-OAHLLOKOSA-N 337.448 3.770 0 50 EHAA c1cc([C@@H]2CCCN(Cc3ccc(CN4CCCC4)s3)C2)ncn1 102536904 PUYIZJXCRTZITQ-MRXNPFEDSA-N 342.512 3.514 0 50 EHAA C[C@@H]1CN(C)c2ccccc2N(Cc2cc3ccccc3c(=O)[nH]2)C1 119457123 VFENKZMSXXAKOT-OAHLLOKOSA-N 333.435 3.621 0 50 EHAA C[C@@H](NC(=O)c1ccc2c(c1)ncn2C)c1cccc(OC(F)F)c1 124013128 DJZROWMCRIJNKI-LLVKDONJSA-N 345.349 3.666 0 50 EHAA c1ccc(-c2nc(CNc3ccccc3O[C@@H]3CCOC3)no2)cc1 127527702 LHSJHSRMQPNTTL-OAHLLOKOSA-N 337.379 3.516 0 50 EHAA Cc1cc(C(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)oc1C 164957265 FDQRMWNECDNPPL-QGZVFWFLSA-N 333.403 3.867 0 50 EHAA Cc1cccnc1/C=C/C(=O)NCc1ccc(CN2CCCCC2)cc1 170595191 BHRQOAIAKNCQAW-VAWYXSNFSA-N 349.478 3.706 0 50 EHAA Cc1ccc2oc(C(=O)N(C)CCCc3nc4ccccc4[nH]3)cc2n1 171473335 WDAMJYVEMPXYBQ-UHFFFAOYSA-N 348.406 3.717 0 50 EHAA Cc1cc([C@@](C)(O)CNCC2=Cc3cc(Cl)ccc3OC2)c(C)o1 174442011 QVNWMMJPHCVPCQ-IBGZPJMESA-N 347.842 3.823 0 50 EHAA Cc1cnc([C@H](C)NC(=O)[C@H]2COc3ccc(Cl)cc3C2)s1 177921338 MPUWLNQCACCQGN-CMPLNLGQSA-N 336.844 3.533 0 50 EHAA CNC[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 237258539 WKQKISWHBVPBRL-AWEZNQCLSA-N 344.405 3.703 0 50 EHAA Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 244852688 UWSSPGHSCWKFFC-CQSZACIVSA-N 344.802 3.798 0 50 EHAA Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1COc2c(Cl)cccc21 252494973 OJIVSXBQTGHNHS-CYBMUJFWSA-N 334.803 3.698 0 50 EHAA CC(C)[C@@H](CNC(=O)Nc1nc2ccccc2s1)c1ccnn1C 252495197 ONELZGSUDYUNOA-GFCCVEGCSA-N 343.456 3.591 0 50 EHAA CCOc1ccccc1-c1cccc(C(=O)N[C@H](C(=O)O)C(C)C)c1 263292873 WYMZXJGANAGZMB-SFHVURJKSA-N 341.407 3.591 0 50 EHAA Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1cn(C)nc1C(C)C)CCC2 280862948 YBPQSDAXHAFXTD-CQSZACIVSA-N 347.488 3.850 0 50 EHAA Cn1ncc2c(Oc3ccc(OCC4CC4)c(Cl)c3)ncnc21 293094976 ORKGWJHXYGUTLV-UHFFFAOYSA-N 330.775 3.598 0 50 EHAA O=C(O)C[C@H]1CCCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 299740489 BCXVYFZPXXEDCS-ZDUSSCGKSA-N 345.361 3.705 0 50 EHAA c1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3C[C@@H]3c3cccnc3)o2)cc1 299743502 NVQIPYDWEVFQTE-BSDSXHPESA-N 333.391 3.981 0 50 EHAA Fc1ccc2ccnc(NC3CCN(Cc4ccccn4)CC3)c2c1 340264858 QWUSCJFAPDHBPV-UHFFFAOYSA-N 336.414 3.845 0 50 EHAA O=C(O)Cc1cccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 653638813 GRBWHBMCAMGPIR-IBGZPJMESA-N 335.403 3.606 0 50 EHAA CC(C)Cn1cncc1CNC(=O)c1ccc(Oc2ccccc2)o1 821502165 PLPLLLIPCPVTSC-UHFFFAOYSA-N 339.395 3.854 0 50 EHAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2ccc3ncccc3c2)C1 888102999 ZAARJJOWZDHJAZ-MJGOQNOKSA-N 336.439 3.537 0 50 EHAA CCCCn1c(CN(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)nc2ccccc21 1704278254 GUKKXNWEVYVGQP-USTZCAOPSA-N 341.499 3.818 0 50 EHAA N=C(NC(=S)Nc1ccc(Cl)cc1)N1CCc2ccccc2C1 1848443002 RNSGUJCQGRSJNN-UHFFFAOYSA-N 344.871 3.619 0 50 EHAA Cc1ccc(F)c(C(=O)N[C@@H]2CCCc3c2c(C)nn3C)c1Cl 1857679207 HSPYYMREKWJHGX-GFCCVEGCSA-N 335.810 3.637 0 50 EHAA COc1ccc([C@@H](CCn2cncn2)NCC[C@@]23CCC[C@@H]2C3)cc1 1875316087 UIIWDJGWHMXMOE-MISYRCLQSA-N 340.471 3.588 0 50 EHAA Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 61989 SIEMITORQMJHOW-CQSZACIVSA-N 342.826 3.948 0 50 EHAA Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1 118024 NYTGEBIBTPOFKY-UHFFFAOYSA-N 341.432 3.979 0 50 EHAA O=C(Nc1ccccc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 284148 URDJKGJTMQPXSM-UHFFFAOYSA-N 342.354 3.740 0 50 EHAA COc1ccc(-n2c(-c3ccc(OC)c(OC)c3)n[nH]c2=S)cc1 309625 CHMZOCNKAJPOCJ-UHFFFAOYSA-N 343.408 3.623 0 50 EHAA O=C(c1ccccc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 355601 RQMUVYNMGUGJSV-MRXNPFEDSA-N 340.345 3.720 0 50 EHAA CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1 444261 IBSGVSSCESRHDH-CYBMUJFWSA-N 329.421 3.983 0 50 EHAA O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc(Cl)cc1 451101 WZTSIRPBMZKPSS-UHFFFAOYSA-N 326.208 3.515 0 50 EHAA O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1F 472759 WDJASIHAQLMJER-UHFFFAOYSA-N 326.755 3.745 0 50 EHAA CCc1cccc(NC(=O)[C@@H](C)[C@@H]2Sc3ccccc3NC2=O)c1 1060370 AUDRKKHNXZBMMX-SJCJKPOMSA-N 340.448 3.937 0 50 EHAA CCCC(=O)Nc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1 1066135 LXEIECVJTOAHGF-CQSZACIVSA-N 326.396 3.831 0 50 EHAA COc1ccc(C2=C[C@H](c3ccc(Cl)cc3)N3N=NNC3=N2)cc1 1748356 NWNSQVRESZMHEE-MRXNPFEDSA-N 339.786 3.988 0 50 EHAA CCN(CC)c1ccc(C(=S)NCc2ccc3c(c2)OCO3)cc1 4622693 BXTRMMQXYRWUSC-UHFFFAOYSA-N 342.464 3.727 0 50 EHAA O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cnccn1 4750587 UZMVPHLBGHDXDI-UHFFFAOYSA-N 326.183 3.581 0 50 EHAA CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccn1 4913665 LGAZCMSPNARRHQ-UHFFFAOYSA-N 334.441 3.579 0 50 EHAA CC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@H]3[C@@H]2C 5529574 YMPPYMYJLCYPBO-KAPLURCDSA-N 330.424 3.751 0 50 EHAA biogenic O=C(Nc1ccc2c(c1)CCC2)C1CCN(C(=O)c2ccccc2)CC1 9340995 NPSQUQRJJLYFSU-UHFFFAOYSA-N 348.446 3.666 0 50 EHAA Cc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4nc(C)cc(C)n4)c3C2)cc1 9936303 GYPZCTZVMLQMPG-KRWDZBQOSA-N 346.434 3.809 0 50 EHAA Cc1ccccc1-c1cnnc(N2CCCN(c3ccccc3)CC2)n1 12298953 BGOVTTBMGCPRCY-UHFFFAOYSA-N 345.450 3.564 0 50 EHAA COc1ccccc1CCNC(=O)Nc1ccccc1Br 13745469 VQRGJMKSZDWQAL-UHFFFAOYSA-N 349.228 3.822 0 50 EHAA Cc1cc(C(=O)Nc2nnc(COc3ccccc3)s2)cs1 13746662 QDKJRKSJLVEOQW-UHFFFAOYSA-N 331.422 3.739 0 50 EHAA CCOC(=O)C1CCN(CCCOc2ccc(C)cc2Cl)CC1 16527163 VELCACCJMVBJKT-UHFFFAOYSA-N 339.863 3.692 0 50 EHAA Fc1ccccc1-c1n[nH]c2c1CN(Cc1nc3ccccc3[nH]1)CC2 20166078 RZUMKHFVZASITQ-UHFFFAOYSA-N 347.397 3.650 0 50 EHAA CN1CCC[C@H]1c1ccc(C(=O)N2CCc3ccccc3C2)s1 20784707 KHCKBYRTWIINSU-INIZCTEOSA-N 326.465 3.713 0 50 EHAA CCCN(CCC)Cc1ccc(C(=O)NCCCN2CCCC2)cc1 55042021 ZLTWIIRRZALINA-UHFFFAOYSA-N 345.531 3.524 0 50 EHAA COCc1nn2c(-c3cccnc3)ccnc2c1-c1ccc(F)cc1 67630762 BASLBEITNMJHNZ-UHFFFAOYSA-N 334.354 3.744 0 50 EHAA Clc1cnccc1CN1CCc2[nH]cnc2[C@@H]1Cc1ccccc1 67654529 JDOPDTRMUYFVLE-SFHVURJKSA-N 338.842 3.800 0 50 EHAA Cc1ccc2nc(CNCc3ccccc3-n3cccn3)[nH]c2c1C 67878470 CJJYGJCYDBJHPI-UHFFFAOYSA-N 331.423 3.655 0 50 EHAA CN(C)[C@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 72163352 ZOIUYRQKLJXIGG-NRFANRHFSA-N 336.479 3.839 0 50 EHAA CN(Cc1cccc2ncccc12)C(=O)[C@@H]1Cc2ccccc2S1 77437471 GFFFVVMUYFWHCG-IBGZPJMESA-N 334.444 3.910 0 50 EHAA Cc1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)s1 91820381 CBTZESFNEPYFMO-ZWKOTPCHSA-N 340.492 3.680 0 50 EHAA Cc1cc(CNc2ccc(C(N)=O)cc2)ccc1Oc1cccnc1 127798411 DGFHUWFFNYIUEM-UHFFFAOYSA-N 333.391 3.893 0 50 EHAA CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)c1ccc(Cl)cc1 133555597 GIYYZLGIAJVJFL-GOSISDBHSA-N 341.842 3.896 0 50 EHAA O=C(N[C@@H]1CCCc2sccc21)N1CCO[C@H](c2ccco2)C1 136587760 CLMATFVEDSTRMN-HIFRSBDPSA-N 332.425 3.502 0 50 EHAA CC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CC(=O)Nc2ccccc21 153987293 BYUBFCYEIVAKTP-AWEZNQCLSA-N 348.358 3.700 0 50 EHAA CCO[C@@H]1C[C@H](NC(=O)c2csc(-c3ccccc3)n2)C12CCC2 170638767 IHACLRDBFVSHPM-JKSUJKDBSA-N 342.464 3.888 0 50 EHAA Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H]1COc2ccccc21 189844584 BLNCPDUPCMYPAY-OAHLLOKOSA-N 335.325 3.806 0 50 EHAA Cc1cc2c(cc1NC(=O)N1CCC(c3ccncc3)CC1)OCO2 191931160 FIUNPUKADYKLFN-UHFFFAOYSA-N 339.395 3.530 0 50 EHAA CCN(Cc1cccs1)[C@H](C)C(=O)N1CCc2sccc2C1 192613704 WPICEEMRXJGZEB-CYBMUJFWSA-N 334.510 3.605 0 50 EHAA O=C(N[C@H]1CCCc2occc21)N1CCO[C@H](c2ccc(F)cc2)C1 194049786 IEULKHCDOCLLLS-WMZOPIPTSA-N 344.386 3.579 0 50 EHAA C[C@H](CC(=O)N1CC[C@](C)(C(=O)O)C1)c1cccc(C(F)(F)F)c1 237543452 LKJAXSMXGVKMGF-BZNIZROVSA-N 343.345 3.522 0 50 EHAA Cc1cc(C)c(NC(=O)CCN(C)C[C@@H]2CCCCO2)c(Cl)c1 244899451 ZKDRHTWFVUOLRY-HNNXBMFYSA-N 338.879 3.786 0 50 EHAA CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1c1cccc(OC)c1 249119873 VVPOMHSNSMJCJW-MJGOQNOKSA-N 330.472 3.623 0 50 EHAA COc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 253396136 KSCUIYQXRQTNRH-IPMKNSEASA-N 345.483 3.515 0 50 EHAA O=C1CC[C@H](COc2c(Cl)cc(Cl)c3cccnc23)CCN1 295364702 OVBWSBKWTXJBPQ-JTQLQIEISA-N 339.222 3.837 0 50 EHAA Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NC(C)(C)CO 298809629 RXVPMJJPMXIOQW-UHFFFAOYSA-N 348.446 3.640 0 50 EHAA CCCOc1ccc(NC(=O)N(C)Cc2nc(C)c[nH]2)cc1Cl 299775985 MISONEVBMNLXSE-UHFFFAOYSA-N 336.823 3.824 0 50 EHAA Cc1ccc(Oc2ccc(NC(=O)NCCc3ccncc3)cn2)cc1 355935996 VUBSWWOBKOOPDJ-UHFFFAOYSA-N 348.406 3.942 0 50 EHAA FC(F)(F)c1ncc(CN2CC[C@@]3(C2)OCc2ccccc23)s1 375734215 WCXVHPCIPRZZMS-HNNXBMFYSA-N 340.370 3.793 0 50 EHAA Cc1cc(C)nc(CNC(=O)[C@@]2(c3ccccc3)CC23CCCC3)n1 426521230 MGMWTFGNCPAZLW-NRFANRHFSA-N 335.451 3.612 0 50 EHAA C[C@@H](C[C@@H]1CCOC1)Nc1nc(-c2cccnc2)nc2ccccc12 759700285 NNNPOEPTWIRVMM-GJZGRUSLSA-N 334.423 3.919 0 50 EHAA Cc1noc(C)c1C(C)(C)C(=O)N[C@H]1C[C@H](c2ccc(F)cc2F)C1 889083238 TVSKBULZHYMTKO-MQMHXKEQSA-N 348.393 3.910 0 50 EHAA CCCOc1ccc(Cl)cc1NC(=O)c1oc(C(=O)O)cc1C 908730347 UQUJTWLFUDOAPB-UHFFFAOYSA-N 337.759 3.981 0 50 EHAA CCc1nc(OC)ccc1NC(=O)N1CCC[C@H]1c1cncc(C)c1 933933381 YLDRPHHJJMAOEB-KRWDZBQOSA-N 340.427 3.725 0 50 EHAA Cc1cc(F)ccc1N1CCC(N[C@H](c2nccn2C)C(C)C)CC1 1506422609 RLDGVQSZVDSNSJ-IBGZPJMESA-N 344.478 3.823 0 50 EHAA O=C(CC1CC1)N1CCC[C@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704344908 QDWDGMVUKZGISS-QFIPXVFZSA-N 347.462 3.750 0 50 EHAA CN(C)C(=O)c1ccc(NCc2nc(-c3ccccc3)cs2)nc1 1704352439 YBYJEFDGOBBKPF-UHFFFAOYSA-N 338.436 3.519 0 50 EHAA CCSCc1nnc2sc(COc3ccc(C)c(C)c3)nn12 1775972034 BARIDKYDOBPVCM-UHFFFAOYSA-N 334.470 3.635 0 50 EHAA Cc1cccc2cc(-c3nccn3C[C@H]3CC4CCN3CC4)c(O)nc12 1857684669 XMXTWTARMYQNJU-QGZVFWFLSA-N 348.450 3.597 0 50 EHAA Cc1cc(NC(=O)c2noc3c2C[C@H](C)CC3)ccc1N1CCCC1 2325746890 HLZUDIVAUXAOOG-CYBMUJFWSA-N 339.439 3.960 0 50 EHAA C[C@@H](CC(=O)OCCCc1cncs1)c1ccc2c(c1)OCO2 2325774706 KFXIPSAHAWZUCP-LBPRGKRZSA-N 333.409 3.541 0 50 EHAA O=C(O)C1CC2(CCN(Cc3cc4cc(Cl)ccc4[nH]3)CC2)C1 2325788155 PHSGTTVDAHDIRQ-UHFFFAOYSA-N 332.831 3.898 0 50 EHAA CC[C@@H](C(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1)n1ccnc1 2325855589 HERKDCAWFBCMOL-QAPCUYQASA-N 343.471 3.715 0 50 EHAA CCCCn1nc(CCc2ccccc2)nc1[C@H]1CC[C@@H](N)CC1 2356153986 CSCYNNCYDRPPLP-HDICACEKSA-N 326.488 3.848 0 50 EHAA COc1ccc([C@@H]2OC(=O)C(C)(C)C(=O)C23CCCCC3)cc1OC 36859 DHRJYAMTGHFEID-INIZCTEOSA-N 346.423 3.848 0 50 EHAA CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1 120879 KTBPENAOEXCCSW-UHFFFAOYSA-N 349.390 3.610 0 50 EHAA O=C(NC[C@H]1CCCO1)[C@H](Sc1ccccc1)c1ccccc1 194945 OLDLFKGUYGCCDZ-SJLPKXTDSA-N 327.449 3.815 0 50 EHAA C[C@@H](c1ccccc1)N1C(=O)c2ccc(Br)cc2C1=O 208304 ALJWVHFKSQRDJA-JTQLQIEISA-N 330.181 3.806 0 50 EHAA O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccc1Cl 386066 KWFWWZZAWQBFTC-UHFFFAOYSA-N 346.799 3.516 0 50 EHAA O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cn1 443992 MUABCTNYJMWTEM-UHFFFAOYSA-N 341.592 3.515 0 50 EHAA Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCC2)cc1 456622 UJHUCJIXEQSAMV-UHFFFAOYSA-N 339.464 3.722 0 50 EHAA COC(=O)c1ccc(C)c(NC(=O)c2csc3c2CCCC3)c1 999929 GYNQEWOCRFFOEV-UHFFFAOYSA-N 329.421 3.974 0 50 EHAA CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 2859163 VCKYVPWUFMIGPP-UHFFFAOYSA-N 333.409 3.528 0 50 EHAA COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(Cl)cc1 2982291 HUMUKLATTIPJAN-UHFFFAOYSA-N 333.192 3.770 0 50 EHAA O=C(Nc1nnc(-c2ccncc2)s1)C12CC3CC(CC(C3)C1)C2 4426138 CDFOESHHEXERJG-UHFFFAOYSA-N 340.452 3.755 0 50 EHAA COc1ccc(-c2noc(-c3ccccc3C(=O)N3CCCC3)n2)cc1 5562060 RWDBGVBGQRRIFU-UHFFFAOYSA-N 349.390 3.648 0 50 EHAA Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)C1=CCCC1)C2 12035890 OMGNYDXVGLIGMQ-QGZVFWFLSA-N 334.419 3.587 0 50 EHAA O=C1N(CC2CC2)CCC[C@]12CCN(Cc1cc3ccccc3o1)C2 12763624 JLOUNMNXJGAAJD-OAQYLSRUSA-N 338.451 3.657 0 50 EHAA O=C(CCCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 13324290 CSCCCXVRKJRAJE-RIYZIHGNSA-N 348.490 3.867 0 50 EHAA CSc1cccc(CN2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 14950265 BADFGEMQWQLWKG-INIZCTEOSA-N 344.480 3.644 0 50 EHAA Cc1ccc(-n2ncc3c2CCC[C@H]3NC2CCOCC2)cc1C 15075344 KGTPTEIKPZVKQT-LJQANCHMSA-N 325.456 3.635 0 50 EHAA CN(Cc1nc(-c2ccccn2)no1)C[C@]1(c2ccccc2)CC1(C)C 19227312 WSPXYSQSXHRNLQ-NRFANRHFSA-N 348.450 3.931 0 50 EHAA O=C(c1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1 19537591 NKOTUQPBTKXMQO-QPJJXVBHSA-N 340.854 3.811 0 50 EHAA COc1cc(F)ccc1CN1CCc2n[nH]c(-c3ccccc3)c2C1 23367122 JBPXGAMVHXZKKV-UHFFFAOYSA-N 337.398 3.783 0 50 EHAA CN(C)C(=O)CCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 30765820 DZTZGOLZVOKVII-UHFFFAOYSA-N 330.815 3.613 0 50 EHAA C[C@H](c1ccc(-c2ccc3c(c2)OCCC3=O)cc1)N1CCOCC1 65383866 FGMKIFUSTGOTJC-OAHLLOKOSA-N 337.419 3.712 0 50 EHAA C[C@H](c1ccc(O)c(F)c1)n1ccnc1-c1ccc2c(c1)OCO2 67604927 VDEFAYVSMGBJEY-LLVKDONJSA-N 326.327 3.733 0 50 EHAA O=C(NC[C@H]1CCN(Cc2cccc(Cl)c2)C1)c1ccsc1 67714479 VRIUTNAQSQNQJM-CQSZACIVSA-N 334.872 3.653 0 50 EHAA O[C@@H](CN1CCOCC1)c1ccc(-c2ccc(F)cc2Cl)cc1 67834123 WGBBNFVCCCHBPE-SFHVURJKSA-N 335.806 3.512 0 50 EHAA CCCc1ncc(CN2CCN(c3ccc4ccccc4c3)CC2)cn1 72167251 JOBGEEGPHXIAHA-UHFFFAOYSA-N 346.478 3.905 0 50 EHAA CC[C@H](Nc1nccc(-c2cc(C(=O)O)ccn2)n1)c1cc(C)ccn1 72408503 UWEJOBUOXZQSQP-AWEZNQCLSA-N 349.394 3.503 0 50 EHAA O=C1CC[C@@]2(CCCN(Cc3ccoc3)C2)CN1Cc1ccccc1 72412492 UQFBLZSKCCQZCK-OAQYLSRUSA-N 338.451 3.684 0 50 EHAA COC[C@H](C)C1CCN(c2cc(C(C)C)nc3cc(C)nn23)CC1 72421119 MPGWTMGUMMACRI-AWEZNQCLSA-N 330.476 3.660 0 50 EHAA O=C(CSCc1ccccc1Cl)N1CCC(c2ncc[nH]2)CC1 72422847 QTTVJKXJAVTOEG-UHFFFAOYSA-N 349.887 3.703 0 50 EHAA CN(Cc1cc(-c2ccccc2)no1)C(=O)CCc1cc(Cl)no1 72424884 NTSDEBMNQWLBMO-UHFFFAOYSA-N 345.786 3.574 0 50 EHAA O=C(NCCc1ccc(Br)cc1)OCc1ccccc1 74938133 WIUKEHNGQSSRHQ-UHFFFAOYSA-N 334.213 3.918 0 50 EHAA in-vitro CN(Cc1cccc(-n2cccn2)c1)C(=O)C[C@@H]1CCc2ccccc21 91965134 MHEWIMDAXKMSCD-IBGZPJMESA-N 345.446 3.951 0 50 EHAA CCOC(=O)c1cc2c(s1)CCN(C(=O)OCc1ccccc1)C2 95742599 OCIURHWHZIUVOO-UHFFFAOYSA-N 345.420 3.620 0 50 EHAA C[C@@H](Oc1cccnc1)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 117748452 ZNFQHRTUTMIEJE-OAHLLOKOSA-N 349.434 3.736 0 50 EHAA CSCC[C@H](NC(=O)C1=C(C)OCCC1)c1nc2ccccc2[nH]1 132231094 BVYPGGQVCVHWBI-INIZCTEOSA-N 345.468 3.558 0 50 EHAA COC(=O)[C@@H](C)Sc1nccn1-c1ccc(C(F)(F)F)cc1 170624629 VUOKVMFXCNZHGO-SECBINFHSA-N 330.331 3.545 0 50 EHAA c1cc(N2CCCCC2)ccc1-c1noc(CC[C@@H]2CCOC2)n1 177323639 YPOOGCKAUFWTAW-OAHLLOKOSA-N 327.428 3.696 0 50 EHAA CC(C)(C)c1cnc(CCC(=O)N2CCO[C@H](c3cccs3)C2)o1 185850461 RGSNQHQFVKLHFE-ZDUSSCGKSA-N 348.468 3.566 0 50 EHAA O=[S@@](CCCc1cn[nH]c1)c1ccc(Cl)c(C(F)(F)F)c1 194504512 WBQOPQKLHCQXLP-NRFANRHFSA-N 336.766 3.822 0 50 EHAA Cc1cc(C)n(CCCN(C)Cc2ccc([C@@H]3CCCO3)s2)n1 215512657 RVWHZKOZQTYNDK-KRWDZBQOSA-N 333.501 3.935 0 50 EHAA O=C(Nc1ncc(-c2ccccc2)s1)N[C@H]1CCN2CCCC[C@@H]12 229778391 PUFDEOFFLAFSNN-GJZGRUSLSA-N 342.468 3.558 0 50 EHAA Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CCC2)C3)c1Cl 247865076 IHAAGIJRMZKDIF-IRXDYDNUSA-N 346.902 3.985 0 50 EHAA CCc1nc2ccccc2c(N2CCC(S(=O)(=O)CC)CC2)c1C 253425656 KFEVKPRQZPRCCQ-UHFFFAOYSA-N 346.496 3.509 0 50 EHAA C[C@@H](NC(=O)N1CCC(C(=O)O)CC1)c1ccc(Cl)cc1Cl 261605657 CTZBBSRZDJBBII-SECBINFHSA-N 345.226 3.561 0 50 EHAA O=C(Nc1ncc(C(F)(F)F)s1)N1CCCC[C@H]1c1cn[nH]c1 278598224 LQSWJKJZULHLQO-VIFPVBQESA-N 345.350 3.644 0 50 EHAA C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 280067138 XEXMSHAMZURLJV-ZMSDIMECSA-N 341.451 3.945 0 50 EHAA Cc1cc(CO)oc1C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C 283482242 QABRQBZCZHJPCJ-GFCCVEGCSA-N 336.457 3.802 0 50 EHAA COc1cccc(SCC(=O)N2CCC[C@H]2c2cccnc2)c1 363465690 SONJJRYLHYKLHC-KRWDZBQOSA-N 328.437 3.546 0 50 EHAA O=C(O)c1cc2cc(CN3CC=C(C(F)(F)F)CC3)ccc2o1 382534684 NSLRRSWTUZYAPV-UHFFFAOYSA-N 325.286 3.825 0 50 EHAA COc1cncc(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2)c1 426434427 HLEGEEDKFNCJST-UHFFFAOYSA-N 332.350 3.629 0 50 EHAA Cc1c(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)[nH]c2ccc(F)cc12 426615204 SYJGSGGFTPZULI-UHFFFAOYSA-N 348.381 3.731 0 50 EHAA COc1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1 824556149 ZQCJPQNIESECIL-UHFFFAOYSA-N 343.467 3.927 0 50 EHAA O=C(Nc1ccc(-c2ccccc2)cc1F)N[C@H]1CC[C@@H](C(=O)O)C1 843317778 RODNMECPSSFAFU-CABCVRRESA-N 342.370 3.868 0 50 EHAA Cn1nc(CNCCOc2ccccc2F)c2c(Cl)cccc21 952976546 SNULLBJZATZMIC-UHFFFAOYSA-N 333.794 3.534 0 50 EHAA CCCn1c(C)nc2cc(NC(=O)[C@@H](CC)n3cccn3)ccc21 952978519 MAZYRASQYDDPHJ-MRXNPFEDSA-N 325.416 3.541 0 50 EHAA O=C(NCC1(Cc2ccccc2)CC1)c1ccc(-c2cn[nH]c2)cc1 1446430311 VTMCOARWKZGYRP-UHFFFAOYSA-N 331.419 3.829 0 50 EHAA COc1nsc(CNc2cccc(-c3nnc(C)n3C)c2)c1Cl 1461358304 PIUJPRUPGRIDNN-UHFFFAOYSA-N 349.847 3.521 0 50 EHAA C[C@]12C[C@@H]1CN(C(=O)c1cc(-c3cccnc3)nc3ccccc13)C2 1772806069 YNIXPHKGKKTNFI-QVKFZJNVSA-N 329.403 3.779 0 50 EHAA 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CCCCc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1 16603658 IVZIZQGIGDXOML-UHFFFAOYSA-N 326.440 3.580 0 50 EHAA Brc1ccc2c(I)ccnc2c1 19721482 GKNVPNDYDHLEFY-UHFFFAOYSA-N 333.954 3.602 0 50 EHAA COc1nccnc1-c1cccc(-c2ccn(Cc3nccs3)n2)c1 20109837 YEFBSXLLHWLCKI-UHFFFAOYSA-N 349.419 3.521 0 50 EHAA Cc1nccn1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1 47676698 WWPGNOIXZMFMCW-UHFFFAOYSA-N 333.435 3.608 0 50 EHAA O=C(c1cncc(Cl)c1)N1CCC[C@H](COc2ccc(F)cc2)C1 77388504 WPWKANZKJRVHFM-ZDUSSCGKSA-N 348.805 3.805 0 50 EHAA c1[nH]c(CC2CCCC2)nc1CN1CCCC[C@@H]1CCN1CCCC1 77505508 GRZRUDPRBVEAHF-HXUWFJFHSA-N 344.547 3.983 0 50 EHAA CCOC(=O)[C@]1(C(C)C)CCCN(C(=O)OCc2ccccc2)C1 90463560 XEBWIULVRFZVDT-LJQANCHMSA-N 333.428 3.625 0 50 EHAA in-vitro COc1ccc(-c2ccc(C(=O)N3CCC[C@@]4(CCOC4)C3)o2)cc1 91327180 BDFIZYMZVSPGBH-HXUWFJFHSA-N 341.407 3.598 0 50 EHAA C[C@H](C1=CCCCC1)n1cc(-c2cnc(-c3ccccn3)nc2)nn1 91892915 BGLNWLHHTKTDFO-CQSZACIVSA-N 332.411 3.859 0 50 EHAA COc1cc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)ccc1F 95507332 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346.540 3.643 0 50 EHAA O=C(O)C[C@@H]1CCCCN1C(=O)c1ccc(-c2cccc(F)c2)cc1 244884023 YDTQPSKGUMLSED-SFHVURJKSA-N 341.382 3.962 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]12C 257346282 XHCCPSKYYJBSAA-ZMAMSWRXSA-N 332.484 3.774 0 50 EHAA CCS(=O)(=O)c1ccc(CNc2ccc3ccccc3n2)cc1 302065842 UJHWZQWVPKJQAR-UHFFFAOYSA-N 326.421 3.641 0 50 EHAA CCN(C(=O)c1cn(C)cn1)[C@@H](C)Cc1ccccc1C(F)(F)F 328596010 NHKYRENUKNPNAY-LBPRGKRZSA-N 339.361 3.532 0 50 EHAA CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N(C)[C@@H](C)C1CCCCC1 375706487 UKSNJDKSHAZOHV-GOEBONIOSA-N 347.507 3.847 0 50 EHAA Cc1cc(C)c(NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)c(C)n1 408468158 QCEXMZJEENACGR-MRXNPFEDSA-N 341.459 3.726 0 50 EHAA Cc1ccc(-c2cccc(C(=O)N3C[C@H]4CCC[C@H](C4)C3)c2)c(N)n1 426395103 BFRHEGABONTGNU-IYBDPMFKSA-N 335.451 3.901 0 50 EHAA O=C(c1ccc(N2CCCCC2)cc1)N1CCc2ccccc2CC1 531072881 ZUKXDZLJLYEOGC-UHFFFAOYSA-N 334.463 3.918 0 50 EHAA CC(C)n1cc(CN(C)C(=O)NCc2ccc(F)cc2Cl)cn1 534583278 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O=c1oc2ccccc2c2c1cnn2-c1ccc(Br)cc1 15230653 WEZRSNYMIXTTDH-UHFFFAOYSA-N 341.164 3.894 0 50 EHAA O=C(Cc1noc(-c2cccc(F)c2)n1)Nc1ccccc1Cl 16578261 FMRSQGSOCONTRD-UHFFFAOYSA-N 331.734 3.710 0 50 EHAA COc1ccc([C@@H]2CNCCc3c2cc(OC)c(OC)c3Cl)cc1 34065190 MYTZRTXHMVXREA-INIZCTEOSA-N 347.842 3.643 0 50 EHAA CCCCN(Cc1ccccc1F)C(=O)CCc1c(C)nn(C)c1C 55385619 UEYKXSGLRGHXQO-UHFFFAOYSA-N 345.462 3.938 0 50 EHAA COc1coc(CN2CCC[C@@H](CCc3ccc(F)cc3)C2)cc1=O 72161998 WHXBGWZOCHJDCI-INIZCTEOSA-N 345.414 3.632 0 50 EHAA CCN(Cc1cccc2c1oc1ccccc12)[C@@H]1CCS(=O)(=O)C1 77424664 SHYKFMUBRLHEJB-OAHLLOKOSA-N 343.448 3.595 0 50 EHAA CC[C@@H](c1ncccc1C)n1cc(-c2csc(C(C)=O)c2)nn1 92107162 VYYRADWBPLRJGX-HNNXBMFYSA-N 326.425 3.912 0 50 EHAA Cc1cc(F)ccc1CC(=O)N1CCC[C@@H](c2nccn2C(C)C)C1 95368489 UZEWCAZNOYIHLK-QGZVFWFLSA-N 343.446 3.860 0 50 EHAA CN1CCCC[C@@H]1CCC(=O)NCc1cc(F)ccc1C(F)(F)F 95369824 FRHXFZCUTXIUKU-CQSZACIVSA-N 346.368 3.725 0 50 EHAA CC(C)=CCCN1CCC[C@H](c2nccn2Cc2cscn2)C1 95371282 RLXHDAHVNKWOOR-INIZCTEOSA-N 330.501 3.924 0 50 EHAA Cc1cccc(CSCCCNC(=O)[C@H]2CCCCCN2C)c1 95383200 GYXFMXXBGUFCGS-GOSISDBHSA-N 334.529 3.609 0 50 EHAA COc1ccccc1N1CCN(Cc2cncn2C(C)C)CC1(C)C 97604282 LTADXWXZWMHPEN-UHFFFAOYSA-N 342.487 3.573 0 50 EHAA CCN(C)C1(CNc2nccc(-c3cccnc3)n2)CCCCC1 97635105 BDRPBHVYOOYZDH-UHFFFAOYSA-N 325.460 3.605 0 50 EHAA O=C(O)c1cccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 97698617 ODCBKZRAVOGGHL-UHFFFAOYSA-N 347.773 3.982 0 50 EHAA Cc1cccc(-c2ncc(CN3CCC(Cn4ccnc4)CC3)cn2)c1 97756535 NBAPOWRDKIPUNW-UHFFFAOYSA-N 347.466 3.561 0 50 EHAA CCOc1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)cc1 100769186 NMCWHTHTYJQSPJ-GOSISDBHSA-N 336.370 3.872 0 50 EHAA Cc1csc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)n1 146337377 MCBYUYDHMZMBML-GJZGRUSLSA-N 331.441 3.741 0 50 EHAA C[C@@H](C(=O)NCc1cc(F)ccc1F)n1ccnc1-c1ccccc1 151179936 KKAOBCKZBFFVST-ZDUSSCGKSA-N 341.361 3.706 0 50 EHAA CCO[C@H]1C[C@@H](NC(=O)c2cc3c(C)cc(F)cc3[nH]2)C12CCC2 170639074 VIQJQLKSSODFIA-SJORKVTESA-N 330.403 3.693 0 50 EHAA CCCCC[C@H](C)NC(=O)CNc1cc(Cl)ccc1NC(C)=O 178342888 JEFLDICMBRNELD-LBPRGKRZSA-N 339.867 3.795 0 50 EHAA C[C@H](NC/C=C/Cl)c1cc2c(cc1Br)OCCO2 180482546 VGJCRBSSXPCSEX-HPOULIHZSA-N 332.625 3.623 0 50 EHAA O=C(Nc1cccc(C(F)(F)F)n1)N1CCCC[C@H]1c1ncc[nH]1 181874756 KKTKKYYLNLXXSR-JTQLQIEISA-N 339.321 3.583 0 50 EHAA C[C@@H](Nc1ccn(-c2ccccc2Cl)n1)c1nc(C2CC2)no1 188601773 TZODZANZAAALLJ-SNVBAGLBSA-N 329.791 3.959 0 50 EHAA CCn1nccc1CCSc1nnc(-c2c[nH]c3ccccc23)o1 189451720 LGHMNXDJTAXWPA-UHFFFAOYSA-N 339.424 3.769 0 50 EHAA C[C@@H](Cc1ccc(NC(=O)c2ccc(Cl)cc2F)cc1)C(=O)O 191398914 ASIGZHNABHTNHC-JTQLQIEISA-N 335.762 3.995 0 50 EHAA COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ccncn2)cc1 194104723 LPGPJMNRDXMOEX-INIZCTEOSA-N 326.400 3.634 0 50 EHAA O[C@@H](c1ccccc1)c1nccn1Cc1ccc(Cl)nc1Cl 195502363 FOWOWOWUGRHXEX-AWEZNQCLSA-N 334.206 3.715 0 50 EHAA O=C(N[C@@H]1COC2(CCCCC2)C1)c1cccc(OC(F)F)c1 219645842 PXSTWEXYBRLJBP-ZDUSSCGKSA-N 325.355 3.510 0 50 EHAA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)C1CCCCC1 219722617 PKJXRWFENFAZTC-NLPFYKDJSA-N 338.451 3.743 0 50 EHAA Cc1cc([C@@H]2CCCCN2Cc2cc(C(N)=O)oc2C(C)(C)C)no1 244673827 HWILGHMQIZYPDN-HNNXBMFYSA-N 345.443 3.700 0 50 EHAA CC[C@H](NC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1)c1ccncc1 246530874 XWLHKYXVXPRUSW-AYOQOUSVSA-N 339.439 3.704 0 50 EHAA Cc1oc(-c2ccco2)nc1CC(=O)O[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 246684700 ZTUKZZWHFYYXBZ-CSMYWGQOSA-N 345.395 3.532 0 50 EHAA C[C@]1(CNC(=O)c2cnc3ccccc3c2)OCCc2sccc21 297517741 YFHUJKPRIBCQNZ-LJQANCHMSA-N 338.432 3.514 0 50 EHAA O=C(Nc1nc2c(s1)CCCCCC2)N1CC[C@H](O)C12CCCC2 333047094 BAUMGABETMLUKN-HNNXBMFYSA-N 349.500 3.713 0 50 EHAA Cc1nc2c(C(=O)N[C@@H]3CCOc4ccc(F)cc43)cccc2o1 373403444 OIYKDQQOJHLMOJ-CQSZACIVSA-N 326.327 3.529 0 50 EHAA Cc1ccc(C(C)(C)NC(=O)c2sccc2Br)cn1 390834375 XJQFBVLJAHSACM-UHFFFAOYSA-N 339.258 3.879 0 50 EHAA O=C(c1conc1-c1ccccc1)N(Cc1ccc(O)cc1)C1CC1 426403546 QRPHXWWISVBYRH-UHFFFAOYSA-N 334.375 3.852 0 50 EHAA COCCc1ccc(OCc2ccc(-c3ccc(CN)cn3)cc2)cc1 426477397 NCULOSLPZRBINW-UHFFFAOYSA-N 348.446 3.975 0 50 EHAA CC1(C)CN(C(=O)c2ccccc2-n2cnnc2)C[C@@H]1c1ccccc1 426598867 MFSMZMKQWVLVPW-GOSISDBHSA-N 346.434 3.533 0 50 EHAA CCCC[C@@H](NC(=O)N1CCC(N2CCCC2)CC1)c1cccnc1 534651538 YWCMGIUUCOIASC-LJQANCHMSA-N 344.503 3.583 0 50 EHAA CCc1nc(C)c(CNC[C@H](c2ccccc2)N2CCCCCC2)[nH]1 952974485 VYIUHDLABLUHBR-HXUWFJFHSA-N 340.515 3.987 0 50 EHAA CC(C)c1ocnc1CN1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 1336174545 QGXRCPHZKWLCSB-GOSISDBHSA-N 340.402 3.808 0 50 EHAA COCCn1cnnc1[C@H](C)Nc1cc(C)c2cc(Cl)ccc2n1 1506418572 RNFPAIICXGYNHK-LBPRGKRZSA-N 345.834 3.608 0 50 EHAA COc1cccc(OCCN(C)C[C@H]2CCN(c3ccccc3)C2)c1 1529092712 XLIGTKUOWOIRJP-GOSISDBHSA-N 340.467 3.532 0 50 EHAA C[C@H](CCCC(C)(C)O)Nc1noc(-c2ccccc2)c1C(=O)O 1704337542 WRQPDBPTIMOUPK-GFCCVEGCSA-N 332.400 3.781 0 50 EHAA C[C@@H](Nc1ccc(-c2cnc(C3CC3)o2)cc1)C1(O)CCOCC1 1875285459 NXCANFSPFBBBDX-CYBMUJFWSA-N 328.412 3.561 0 50 EHAA CC[C@@H](c1ccc(F)cc1)n1cc([C@](C)(O)c2ccccc2)nn1 2325787638 MZDPNHJCAPCMOO-PKOBYXMFSA-N 325.387 3.672 0 50 EHAA COc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c(OC)c1 48225 MQQCUIYOSNPBCH-DHDCSXOGSA-N 343.766 3.702 0 50 EHAA O=C(/C=C/c1ccco1)Nc1ccc(C(=O)Nc2nccs2)cc1 81336 UOOJJYFFSPFIQO-BQYQJAHWSA-N 339.376 3.640 0 50 EHAA COc1ccc2c(c1)CCC1=C2NC(=S)N[C@@H]1c1ccccc1F 439514 ILUGJUOGQXLINS-GOSISDBHSA-N 340.423 3.711 0 50 EHAA Cc1cc2ncn(C[C@H](O)COc3ccccc3Cl)c2cc1C 446403 XITJYSOCRYCLGA-AWEZNQCLSA-N 330.815 3.746 0 50 EHAA COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1Cl 612500 VTTZDDSUIGNXAT-UHFFFAOYSA-N 332.208 3.803 0 50 EHAA CCc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 615858 QNIWRMBRGJXZBH-UHFFFAOYSA-N 328.843 3.865 0 50 EHAA CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 998290 DZKYPXIHGRRSIQ-NSHDSACASA-N 332.787 3.704 0 50 EHAA CCOC(=O)C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C 2270200 QKEGVMIPPNNWJI-RHSMWYFYSA-N 338.407 3.528 0 50 EHAA CC[C@H](C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2769192 QUSGUOHFAFRBBG-NSHDSACASA-N 344.365 3.862 0 50 EHAA Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)o2)c1 2859488 RSONQLGCVUBTFW-UHFFFAOYSA-N 343.383 3.915 0 50 EHAA CC(=O)c1cnc2nc(SCc3ccc(Cl)cc3)nn2c1C 4992889 FGKUSACGUFUOMZ-UHFFFAOYSA-N 332.816 3.581 0 50 EHAA COCCSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 5303349 XVWAIJRZVQPKLO-UHFFFAOYSA-N 330.453 3.733 0 50 EHAA O=C(Nc1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1 6715838 JRUDWPTVEUOXEN-UHFFFAOYSA-N 331.803 3.821 0 50 EHAA C[C@@H]1CN(Cc2ccc(NC(=O)c3cccs3)cc2)C[C@@H](C)O1 12418042 BEHQCNBACRPTSR-ZIAGYGMSSA-N 330.453 3.610 0 50 EHAA C=Cc1ccc(C(=O)N2CCO[C@H](Cc3ccc(F)cc3)C2)cc1 12587474 HJIOKJGMGUIBSE-LJQANCHMSA-N 325.383 3.552 0 50 EHAA O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(OCc2ccccc2)cc1 13845520 LLUKAUHZYSEOJR-RTBURBONSA-N 335.403 3.945 0 50 EHAA COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 13945968 AZRNTMXJPMMERZ-UHFFFAOYSA-N 344.842 3.619 0 50 EHAA CC(C)CN1C(=O)CC[C@@H]1CCNCc1cccc(C(F)(F)F)c1 14996341 LUMDTVSZXZMQAI-MRXNPFEDSA-N 342.405 3.832 0 50 EHAA CC(C)(C)CN1C(=O)C2(CCN(C3CCC3)CC2)Nc2ccccc21 55119130 NBZOGWONCUDUKS-UHFFFAOYSA-N 341.499 3.878 0 50 EHAA FC(F)(F)c1cccc(C[C@@H]2CN(Cc3ccncc3)CCO2)c1 65405809 BEQFOGJUESVQGW-QGZVFWFLSA-N 336.357 3.544 0 50 EHAA Cc1cccnc1C[C@H](C)N(C)C(=O)c1cc(-c2ccccc2)on1 67805153 XYUJJUVEERQJIE-HNNXBMFYSA-N 335.407 3.748 0 50 EHAA CC[C@H]1CN(CCCC(F)(F)F)CCC(=O)N1Cc1ccccc1 71416143 FEPDDOZZSABGNH-INIZCTEOSA-N 342.405 3.842 0 50 EHAA CN(C)[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 72128921 GHNWUWGRVOSKSF-LBPRGKRZSA-N 330.259 3.941 0 50 EHAA CCCc1ncc(CN2CCC[C@H](COc3ccc(F)cc3)C2)cn1 72435884 HTHYNLBMMHGXGM-INIZCTEOSA-N 343.446 3.859 0 50 EHAA CC(C)CNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C 77471741 PNBOHMVGFKWPDL-UHFFFAOYSA-N 342.830 3.675 0 50 EHAA O=C(c1ncc(F)cc1F)N1CCCC[C@H]1CCc1ccccc1 92036721 WVQIEEPHQWFAID-INIZCTEOSA-N 330.378 3.987 0 50 EHAA O=C(C[C@H](c1ccccc1)c1ccco1)N1CCC(c2ncc[nH]2)CC1 95513192 YFMOLWXGDZSOCN-GOSISDBHSA-N 349.434 3.931 0 50 EHAA COCCCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(F)nc1 96137580 HPEPFZWCEFELGK-UHFFFAOYSA-N 331.391 3.600 0 50 EHAA C[C@H](C(=O)N1CCC[C@@H]1c1ccc(F)cc1)[C@H](N)c1ccccc1 170048680 WAMLNCSTJCKBBF-KYNGSXCRSA-N 326.415 3.825 0 50 EHAA CCS[C@H]1CCC[C@H](NC(=O)N(Cc2ccccn2)C2CC2)C1 175896178 AGQMQWFNNDEOJZ-YOEHRIQHSA-N 333.501 3.820 0 50 EHAA C[C@H](Nc1cccc(CN(C)Cc2cscn2)c1)[C@H]1CCOC1 195099786 SNMXFPKBTHFJIE-HOCLYGCPSA-N 331.485 3.612 0 50 EHAA C[C@H](CC(=O)N1CCCCCC1)Nc1cccc(-c2ncco2)c1 195552534 ZSHBOLTXNBKNMX-OAHLLOKOSA-N 327.428 3.935 0 50 EHAA C[C@H](O)C[C@H]1CCCCN1CCc1nc(-c2cccc(Cl)c2)no1 225729052 RILFARAQJKSPHG-XJKSGUPXSA-N 349.862 3.558 0 50 EHAA CS[C@@H]1CCCCCCCC[C@@H]2COC[C@@H]2[C@H]1N1CCOCC1 247808143 BAGWWHWHYXXQCV-FCGDIQPGSA-N 341.561 3.816 0 50 EHAA biogenic C[C@@H]1CN(C(=O)NCc2nnc(C(C)(C)C)s2)[C@H]1c1ccccc1 253431968 VVBICYAYPLNCDU-IUODEOHRSA-N 344.484 3.738 0 50 EHAA CC(C)c1ccc(C2(O)CCC(NCCC3(O)CCC3)CC2)cc1 284448506 UDPGGRCGSYLMEG-UHFFFAOYSA-N 331.500 3.835 0 50 EHAA CN(C(=O)C/C=C/c1ccccc1F)[C@H]1CCO[C@@H]1c1cccnc1 299744184 NTZOCNFLAXYFDS-JQVKTCLLSA-N 340.398 3.613 0 50 EHAA O=C(NCc1ccc(F)cc1)[C@H]1C[C@@H](c2ccccc2)N2CCC[C@H]12 299793352 IPOLJAKHDOIXGW-ZCNNSNEGSA-N 338.426 3.668 0 50 EHAA Cc1ccc(F)c(NC(=O)c2cc(NC(=O)OC(C)(C)C)on2)c1 408517235 CYYLKKLZBPKRQT-UHFFFAOYSA-N 335.335 3.721 0 50 EHAA CC1(C)CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1c1ccccc1 426578516 ATBZNWVGFMEICS-LBPRGKRZSA-N 337.345 3.694 0 50 EHAA C=CC(=O)Nc1ccc(C(=O)N[C@H](CC(F)(F)F)C(C)C)cc1 490558771 NSFMMYSQHXEZDP-CYBMUJFWSA-N 328.334 3.518 0 50 EHAA Cc1csc([C@@H](NC(=O)CCCc2ccccn2)C(F)(F)F)n1 650452290 RXAMGOQMZXGKMN-CYBMUJFWSA-N 343.374 3.589 0 50 EHAA O=C(Nc1ccc2c(c1)C=CCCC2)NC1CCC(C(=O)O)CC1 656605525 UUODBQBSNCJPMX-UHFFFAOYSA-N 328.412 3.801 0 50 EHAA O=C(OCc1cncn1Cc1ccccc1)[C@H]1CC12CCSCC2 853136032 RGSOIRIRIMBRHZ-QGZVFWFLSA-N 342.464 3.508 0 50 EHAA CCc1sc([C@@H](C)NC(=O)N2CCCc3c(cnn3C)C2)cc1C 886093344 BWRKUFJKNNIIHN-CYBMUJFWSA-N 346.500 3.571 0 50 EHAA Cc1cc(C2CC2)nc(NC(=O)Cc2coc3c(F)c(F)ccc23)n1 905658732 IGICJJJOTYGPIB-UHFFFAOYSA-N 343.333 3.868 0 50 EHAA Cc1cc2cc(NC(=O)c3ccccc3N3CCOCC3)ccc2o1 952983268 JNFYBUCGDOIHTE-UHFFFAOYSA-N 336.391 3.830 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3ccc(F)cc3Cl)C[C@H]2C1 1529172376 FWNRUBJERUMGSS-CUFDPUGPSA-N 338.854 3.670 0 50 EHAA COc1cc(-c2nccn2[C@@H]2CCOC3(CCOCC3)C2)ccc1F 1857727484 UCZVIJUUOVHNSK-OAHLLOKOSA-N 346.402 3.599 0 50 EHAA CCN(C(=O)c1ccc(CC(=O)O)cc1)[C@@H](C)c1ccc(F)cc1 1875268904 CDBQPJDATSDWPL-ZDUSSCGKSA-N 329.371 3.676 0 50 EHAA Cc1cc2c(=O)n(Cc3snc(Cl)c3Cl)cnc2s1 1875343103 QFDQDYIKGYZMQH-UHFFFAOYSA-N 332.237 3.578 0 50 EHAA CC[C@@H](C)N=c1[nH]nc(S[C@H](C)C(=O)c2ccc(F)cc2)s1 2325721571 NKJXSSSSYIWUBI-NXEZZACHSA-N 339.461 3.673 0 50 EHAA CN(Cc1ccc(-c2ccccc2)cn1)Cc1nc2c(n1C)CCCC2 2325815745 PMDHXIBJICQLEG-UHFFFAOYSA-N 346.478 3.993 0 50 EHAA COc1ccc(-n2nc(C3CCCC3)nc2[C@H]2CC[C@H](N)CC2)cc1 2356155390 FHACUZJBQATSFL-WKILWMFISA-N 340.471 3.918 0 50 EHAA COc1cc(C)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C 87122 CXHNFMBACRLNIE-UHFFFAOYSA-N 344.436 3.516 0 50 EHAA COc1cc(CN[C@H]2CCCc3ccccc32)cc(OC)c1OC 169422 MYNIKCMGSZIZQP-KRWDZBQOSA-N 327.424 3.880 0 50 EHAA O=C(COc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 184848 QLUWKLJWKVVOIL-UHFFFAOYSA-N 336.347 3.549 0 50 EHAA CC[C@@H](c1ccc2cc(OC)ccc2c1)[C@H](CC(=O)O)C(=O)OC 393192 UCKVSTWLDCKQLF-IRXDYDNUSA-N 330.380 3.606 0 50 EHAA CC(C)(C)Cc1nnc(NC(=O)CSCc2ccccc2)s1 464095 OWGDPPKGTXKYIC-UHFFFAOYSA-N 335.498 3.999 0 50 EHAA COc1ccc(-c2ccc3c(N)c(C(=O)NC(C)C)sc3n2)cc1 614373 GYQZOIZYYXYFCP-UHFFFAOYSA-N 341.436 3.692 0 50 EHAA Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)c(Cl)c1 792166 QYHBWEPMRDCIRJ-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA COc1ccc(NC(=O)N2CCCc3cc(C)ccc32)c(OC)c1 2857918 SXGLSFBAPZVTOC-UHFFFAOYSA-N 326.396 3.997 0 50 EHAA O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCCO2 3597923 DVSLXOUECVRFBO-UHFFFAOYSA-N 338.190 3.946 0 50 EHAA CCCOc1ccccc1[C@H]1CC(=O)Nc2cc3c(cc21)OCCO3 4195632 QOKJGJANOBIACH-CQSZACIVSA-N 339.391 3.721 0 50 EHAA O=C(CSCc1ccc(Br)cc1)Nc1cccnc1 4759043 WNUJNUXCNUKLMZ-UHFFFAOYSA-N 337.242 3.716 0 50 EHAA O=Cc1ccccc1OCc1ccccc1I 4827866 UMXYAWQAPONXOJ-UHFFFAOYSA-N 338.144 3.683 0 50 EHAA O=C1c2cccc3cccc(c23)C(=O)N1Cc1nc2ccccc2[nH]1 5532453 WLYNPMHOAHLTIC-UHFFFAOYSA-N 327.343 3.512 0 50 EHAA CCc1ccccc1NC(=O)N1CCN(c2ccccc2OC)CC1 6699954 KFDLCZXWLSSDIT-UHFFFAOYSA-N 339.439 3.612 0 50 EHAA Cc1nc(N2CCC[C@@H](NC3CCCC3)CC2)nc2ccc(F)cc12 12325207 ZLKSGQCFIBVRET-QGZVFWFLSA-N 342.462 3.968 0 50 EHAA CCC1=NO[C@H](Cn2ccc(-c3cccc(-c4cncnc4)c3)n2)C1 19229404 UGCPFKOWUCOMCA-SFHVURJKSA-N 333.395 3.562 0 50 EHAA CCC1=NO[C@H](Cn2ccc(-c3cccc(-c4cnn(C)c4)c3)n2)C1 19840702 GBMIYSKYXYWUBS-SFHVURJKSA-N 335.411 3.506 0 50 EHAA Cc1nnc(NC(=O)NCC(c2ccccc2)c2ccccc2)s1 43406828 DHYVTRAMOYCGNF-UHFFFAOYSA-N 338.436 3.800 0 50 EHAA CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccccc2)nn1C 55325156 WBSVKRQGLCMNRV-UHFFFAOYSA-N 334.423 3.535 0 50 EHAA CN1C[C@@H](Cn2cnc(-c3ccccc3)c2-c2ccsc2)CC1=O 65386893 CQQGAOFQHMKUKK-AWEZNQCLSA-N 337.448 3.757 0 50 EHAA Cc1cn2cc(CNC(=O)c3ccc([C@@H]4CCCO4)s3)nc2s1 65493196 NWUVDDBUALYDPP-LBPRGKRZSA-N 347.465 3.547 0 50 EHAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1cccnc1 67694722 YWXWOUPMSCERON-UHFFFAOYSA-N 333.391 3.816 0 50 EHAA CC(=O)C1(c2ccccc2)CCN(Cc2snnc2C(C)C)CC1 72169369 CLDLIUCEIGHFFV-UHFFFAOYSA-N 343.496 3.784 0 50 EHAA CCCN(C)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C 77354321 ISKBGMUWWQHBQC-UHFFFAOYSA-N 342.830 3.771 0 50 EHAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C1CCOCC1 77505741 BNBBZMFPFBRIBJ-UHFFFAOYSA-N 325.408 3.864 0 50 EHAA Cc1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)ccc1Cl 82086732 CMHJVHDUDMBIFB-MRXNPFEDSA-N 331.847 3.930 0 50 EHAA C[C@H](NC(=O)Nc1ccc(CN2CCOCC2)cc1)C1=CCCCC1 96137645 HCMSCURGZCRWNU-INIZCTEOSA-N 343.471 3.529 0 50 EHAA CCC(=O)c1cccc(NC(=O)c2ccc(-n3cccn3)c(F)c2)c1 120750824 PLRKHZDVNOMWFU-UHFFFAOYSA-N 337.354 3.856 0 50 EHAA Cc1nc2ccccc2nc1CS[C@@H]1CCCN(C(C)C)C1=O 175330853 NLXNZYJTSSLBRR-QGZVFWFLSA-N 329.469 3.571 0 50 EHAA CCOc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1CO 215330689 HSSLIYZIHAQUMA-MRXNPFEDSA-N 332.469 3.761 0 50 EHAA Cc1c(CN2CCNC(=O)[C@@H]2c2cccc(F)c2)oc2ccccc12 215617117 TZHDYWLDWFCEJF-IBGZPJMESA-N 338.382 3.553 0 50 EHAA COc1ccc(CN2CC[C@@H](OC)C2)cc1OCc1cccc(F)c1 215990139 HZSHCBZZJKNKHP-GOSISDBHSA-N 345.414 3.634 0 50 EHAA C[C@H](NC(=O)N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)c(F)c1 222322285 FVCSLVONSCJIOO-YNZJMPHRSA-N 340.826 3.797 0 50 EHAA COc1ccc(-n2nnnc2S[C@@H](C)c2ccccc2OC)cc1 225794090 UDNINMNDFFFUGP-LBPRGKRZSA-N 342.424 3.533 0 50 EHAA Cc1cc([C@H]2CCCN2CC(=O)Nc2nc(C(C)(C)C)cs2)no1 244602038 DWQFOJGQAYXXCG-CYBMUJFWSA-N 348.472 3.513 0 50 EHAA CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C2CC2)cc1 252501010 UBKZPNNWJFEXMJ-SFHVURJKSA-N 342.483 3.607 0 50 EHAA O=C(O)c1ccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c(F)c1 263553420 XPUKOYPIJNQPEW-OAHLLOKOSA-N 341.382 3.619 0 50 EHAA C[C@H](CC(=O)N1CCC[C@@H]([C@@H](C)N)C1)c1ccccc1C(F)(F)F 269249271 FQULFCMFMSWKTK-MGPQQGTHSA-N 342.405 3.785 0 50 EHAA Cc1csc(C(C)(C)NC(=O)c2cccc([C@@H]3CCOC3)c2)n1 270612803 ZLQMTLRZIIEOLP-OAHLLOKOSA-N 330.453 3.621 0 50 EHAA Cc1cc(C)cc(C2(C(=O)Nc3nnc(C(F)(F)F)s3)CC2)c1 298742046 QPZGUBYKHRSPCD-UHFFFAOYSA-N 341.358 3.844 0 50 EHAA Cc1c(C(=O)N(C)CCN2CCCCCC2)[nH]c2ccc(F)cc12 299800066 VJRKANWLZGSXPH-UHFFFAOYSA-N 331.435 3.563 0 50 EHAA Cc1csc([C@@H](C)Nc2nccn3nc(C(F)(F)F)cc23)n1 319099023 DSGVOXGZNVPPCT-MRVPVSSYSA-N 327.335 3.686 0 50 EHAA CC(=O)N1CCC[C@H](c2nnc(C/C=C/c3ccc(C)cc3)o2)[C@@H]1C 886084537 GFZWHHZDQGTOHF-HBJANEJGSA-N 339.439 3.748 0 50 EHAA C[C@@H](NCc1nccc2c1CCCC2)c1cnn(-c2ccccc2)c1 903185750 WNYGNHDLEMCBIS-MRXNPFEDSA-N 332.451 3.997 0 50 EHAA CO[C@H](C)c1nnc(NC(=O)c2oc3cc(C)ccc3c2C)s1 1529180193 CMDAJWPPQNCFJW-SNVBAGLBSA-N 331.397 3.861 0 50 EHAA CN(CCOc1cccc(Br)c1)C(=O)OC(C)(C)C 1772572599 UIHLOIBWPOSSTA-UHFFFAOYSA-N 330.222 3.695 0 50 EHAA CCOCc1ccc(OC[C@H]2CC3CCN2CC3)c2ncccc12 1857688338 DLPYSOISNKLYIE-QGZVFWFLSA-N 326.440 3.634 0 50 EHAA Cc1cc(C)c2cc(C(=O)OCCCn3ccnc3C)[nH]c2c1C 2325718441 JOFVMHODQPXPET-UHFFFAOYSA-N 325.412 3.845 0 50 EHAA CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 45114 GOYLHLPGUSDKIG-KRWDZBQOSA-N 336.435 3.803 0 50 EHAA CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(O)c(OCC)c1 104210 IFDHPVUYHKWBBF-SFHVURJKSA-N 326.396 3.767 0 50 EHAA biogenic Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)nc1-c1ccccc1 204908 OAJOTIZEIAAZEE-ZIAGYGMSSA-N 344.436 3.948 0 50 EHAA O=C(Cc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)cc1 471414 MQGDGFPTXVHFBC-UHFFFAOYSA-N 346.430 3.858 0 50 EHAA CCCOc1ccccc1NC(=O)COc1ccc(OCC)cc1 1914196 CFTKYQQIMMHATG-UHFFFAOYSA-N 329.396 3.892 0 50 EHAA CC(=O)N(C)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 2762641 JJHGJOJZXGBPIB-UHFFFAOYSA-N 328.437 3.862 0 50 EHAA Cc1nnc(NC(=O)C(Cl)(c2ccccc2)c2ccccc2)s1 2784923 YIATUVCQUSDDHI-UHFFFAOYSA-N 343.839 3.968 0 50 EHAA COc1ccc(C)cc1S(=O)(=O)Oc1cccc2ccc(C)nc12 2982408 SPVBTBGXQFQAEJ-UHFFFAOYSA-N 343.404 3.628 0 50 EHAA CCCOc1ccccc1[C@@H]1CC(=O)Nc2cc(OC)cc(OC)c21 4488977 FJEOWKIZESEXEO-HNNXBMFYSA-N 341.407 3.967 0 50 EHAA CNC(=O)c1ccccc1[C@@](O)(c1ccccc1)c1ccccc1C 4792669 RWLWLQYXXFAWQW-JOCHJYFZSA-N 331.415 3.639 0 50 EHAA O=C(CCc1ccccc1)Nc1ccc(OC[C@H]2CCCO2)cc1 6743268 LETZSYXHKCSSIA-LJQANCHMSA-N 325.408 3.816 0 50 EHAA CN(C(=O)c1ccsc1)[C@@H]1CCCN(CCc2ccccc2)C1 11838310 AKSOMMXJJMZYOK-GOSISDBHSA-N 328.481 3.527 0 50 EHAA CCNc1ncnc2sc(C(=O)NCc3ccc(F)cc3)c(C)c12 12212462 QKXVQNPSKKKXIS-UHFFFAOYSA-N 344.415 3.501 0 50 EHAA CN1CCC(CN(CCc2ccccc2)C(=O)CC2CCCC2)CC1 12469581 BVWHLDRCSBWCGG-UHFFFAOYSA-N 342.527 3.980 0 50 EHAA COC(=O)c1ccc(NC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 13746720 WPZAQAMCFNNDOX-CQSZACIVSA-N 326.396 3.973 0 50 EHAA Cc1[nH]c([C@@H]2CC(=O)N(CC(C)C)C2)nc1-c1ccc(F)cc1F 19851494 JAXFKRJLUDPMHJ-GFCCVEGCSA-N 333.382 3.635 0 50 EHAA CCCCc1cn(C2CCN(C(=O)Nc3ccccc3F)CC2)nn1 23250385 PWNLZPZSFUAZPF-UHFFFAOYSA-N 345.422 3.629 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)Cc2c(Cl)nc3sccn23)c1 55088817 RJWXHIINISPOGL-LBPRGKRZSA-N 334.876 3.816 0 50 EHAA Cc1n[nH]c(C)c1CCc1nc(C(C)C)nn1-c1ccccc1F 67871573 BNBLZCLTNKZTIO-UHFFFAOYSA-N 327.407 3.655 0 50 EHAA CCc1[nH]c2ccc(CNC(=O)[C@H]3Cc4ccccc4O3)cc2c1C 71639249 CTBVPFLNAMVSPN-HXUWFJFHSA-N 334.419 3.659 0 50 EHAA CCCNc1ncc(CN2CCC(Oc3ccccc3C)CC2)cn1 72431619 RSZYOYVYCYCWGC-UHFFFAOYSA-N 340.471 3.650 0 50 EHAA Cc1cccc([C@H](CNc2cc(C(C)C)nc3ccnn23)N(C)C)c1 72472865 HLAPVBQAWDIMMU-SFHVURJKSA-N 337.471 3.876 0 50 EHAA CC(=O)c1cc(C(=O)N2CCCN(c3ccccc3C)CC2)cs1 82107651 CEFVTADNPYVWRQ-UHFFFAOYSA-N 342.464 3.612 0 50 EHAA CCCCN(Cc1ccsc1)C(=O)Nc1cccn2nc(C)nc12 97402322 QXJPWZPBPWSEBD-UHFFFAOYSA-N 343.456 3.933 0 50 EHAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)[C@H]1CCCC[C@H]1O 107042277 CQVOIOBFRCONBF-JCGIZDLHSA-N 333.472 3.513 0 50 EHAA CC(C)COC1CCN(C(=O)NCC(C)(C)c2cccs2)CC1 114533866 XQTIRJMENYVBQP-UHFFFAOYSA-N 338.517 3.872 0 50 EHAA CC[C@H](C)N(CC(=O)O)C(=O)c1sc2nc(C)cc(C)c2c1C 119104590 OBILBIZQXWHCQF-NSHDSACASA-N 334.441 3.547 0 50 EHAA O=C(c1[nH]nc2c1CCCC2)N1CCC[C@H]1c1cccc(Cl)c1 127937082 UGVWHEHANHBWPM-INIZCTEOSA-N 329.831 3.919 0 50 EHAA CC(C)(C)c1noc(CN2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)n1 134799747 HWMFBHKUIPSIAH-CVEARBPZSA-N 347.434 3.594 0 50 EHAA NC[C@H]1CCC[C@H]1NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 170048427 PBYTXVZQHWVBSU-IAQYHMDHSA-N 341.282 3.659 0 50 EHAA C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC[C@]2(CC=CCC2)C1 170626847 SGEOMYZUQAJSPT-DYESRHJHSA-N 346.515 3.810 0 50 EHAA CC(C)(C)c1ncc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)s1 171249546 ZSJKKNRUVHDEOJ-UHFFFAOYSA-N 343.452 3.968 0 50 EHAA COC(=O)[C@H](C)Cc1ccc(NC(=O)Nc2ccc(O)cc2C)cc1 190280817 DRWYILUOKWWARF-CYBMUJFWSA-N 342.395 3.696 0 50 EHAA COc1cc(CN2CCO[C@@H]3CCCC[C@H]32)cc(Cl)c1OC 216144127 OXYAWDUTOHPYHT-HUUCEWRRSA-N 325.836 3.501 0 50 EHAA CCOc1ccc([C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)cc1 221039640 USZJCPNSXWNJIA-HOTGVXAUSA-N 349.427 3.653 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccccc1C(F)(F)F 225452667 KAVXIZHEZYKCDT-CQDKDKBSSA-N 327.346 3.923 0 50 EHAA CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1cccc(C)c1C 229982098 RHVMIVDKAZJMAT-KJWYOANISA-N 325.408 3.711 0 50 EHAA O=C(CCc1ccccc1)N1CCCN(CC23CCC(CC2)C3)CC1 240333615 FEHPOPJLUXHECN-UHFFFAOYSA-N 340.511 3.734 0 50 EHAA Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C)nc3c2c(C)nn3C)cc1 248016769 GPTWROMXSCRMLO-SFHVURJKSA-N 348.450 3.871 0 50 EHAA CCCn1nc(C)c(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)c1C 263308447 WNBUZIWLJMOCII-UHFFFAOYSA-N 341.367 3.607 0 50 EHAA Cc1ccc2[nH]c([C@H]3CCCN(Cc4cccc(C(=O)O)c4)C3)nc2c1 263360112 RTLRVQBMSRZHQP-KRWDZBQOSA-N 349.434 3.949 0 50 EHAA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@H]3CCO[C@H]3C(C)C)nc2c1 277332358 FDTUCIXWWBNBKC-WBAXXEDZSA-N 341.455 3.596 0 50 EHAA CCc1onc(-c2ccccc2)c1C(=O)N1CCC2(CCOCC2)C1 280283226 WOXVVIMQVGEOTL-UHFFFAOYSA-N 340.423 3.547 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(F)cc2cccnc12 299741013 CVADWYORZGCPAP-JLZZUVOBSA-N 328.387 3.592 0 50 EHAA CCN1CCC[C@@]2(CCCN(C(=O)c3ccc(C)n3C(F)F)C2)C1 299757575 KFLZKXJJGVIDCL-GOSISDBHSA-N 339.430 3.530 0 50 EHAA CCC[C@@H]1CCc2nc(NC(=O)[C@@H](C)c3cncnc3)sc2C1 333533798 YMESCVDJUJGYLL-NWDGAFQWSA-N 330.457 3.580 0 50 EHAA CCCc1occc1C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 376207154 NIEWNFQBOSGIKQ-QRVBRYPASA-N 339.435 3.877 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C 408473816 KDGBNXSGQBKBLA-CXAGYDPISA-N 339.439 3.567 0 50 EHAA Cc1ncsc1CCN(C)C(=O)c1cc2c(Cl)cccc2[nH]1 426497368 RKTZUFSFIMOYSJ-UHFFFAOYSA-N 333.844 3.901 0 50 EHAA Cc1cccc([C@@H]2CCCN(C(=O)NCCc3nccs3)C2)c1 426578902 ZOMKUAHMURQURX-MRXNPFEDSA-N 329.469 3.583 0 50 EHAA Cc1cc(-c2ccc(C(=O)N[C@H]3CCCC[C@@H]3O)cc2)nc(C)c1C 534639514 WHCXBGBYUGPAIH-ICSRJNTNSA-N 338.451 3.707 0 50 EHAA O=C(Nc1cnn(-c2ccccc2)n1)c1ccc(Cl)cc1Cl 770449135 CGXPKMZKCRMDCK-UHFFFAOYSA-N 333.178 3.826 0 50 EHAA C[C@@H](c1cccc(Cl)c1)N(C)C(=O)NCc1cnc(Cl)cn1 864095603 RXYLBGIBDCPCTO-JTQLQIEISA-N 339.226 3.686 0 50 EHAA Cc1cccc(F)c1NS(=O)(=O)c1cc(F)ccc1OC(C)C 903619191 XFHXSKPQKMDZGR-UHFFFAOYSA-N 341.379 3.861 0 50 EHAA Cc1ccc(Cc2noc(C[C@@H]3CC(=O)Nc4ccccc43)n2)cc1C 904107940 BFNGDQTXXVPZKU-INIZCTEOSA-N 347.418 3.946 0 50 EHAA CCc1csc(CNc2nccc(-c3ccc(C)nc3C)n2)n1 952870117 SGHRAVJEGCXERE-UHFFFAOYSA-N 325.441 3.786 0 50 EHAA CNc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc2nc[nH]c2c1 1292189568 LPDZWDFAFDXXFZ-UHFFFAOYSA-N 334.301 3.876 0 50 EHAA CCc1nc(OC)ccc1NC(=O)c1cccc(N2CCCC2)c1 1333588100 ZJYIVZGLTAUYJZ-UHFFFAOYSA-N 325.412 3.505 0 50 EHAA Cc1c(F)cccc1C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 1466530144 YSBQAJQZFAKATP-GFCCVEGCSA-N 339.370 3.718 0 50 EHAA CNc1nc(C(=O)N(Cc2cccc(SC)c2)C(C)C)cs1 1506426921 QMIPHPIFDZJBQM-UHFFFAOYSA-N 335.498 3.958 0 50 EHAA Cc1ncsc1CCC(=O)Nc1onc(C)c1-c1ccccc1 1529100721 XPLUYSWPWBEPMG-UHFFFAOYSA-N 327.409 3.986 0 50 EHAA CCCc1nnc(SCC2(C)COc3cscc3OC2)o1 1775993672 UZOYLRAZWJBUEN-UHFFFAOYSA-N 326.443 3.653 0 50 EHAA O=C(Cc1ccc(O)cn1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 1875293071 BGTCMYFTYYASCE-AQNXPRMDSA-N 336.435 3.515 0 50 EHAA CCCOc1nc2ccccc2cc1C(=O)OC[C@H]1C[C@]12CCOC2 1875357749 VHGLZGFWFVPZLN-QRWLVFNGSA-N 341.407 3.607 0 50 EHAA CN(C)C(=O)Cc1ccc(Nc2ccccc2OC(F)(F)F)cc1 2100545509 SZKFMVSAWDRGSO-UHFFFAOYSA-N 338.329 3.960 0 50 EHAA Cc1nc(-c2cccc(NC(=O)NCC34CC(C3)[C@@H](C)O4)c2)cs1 2325806145 ZCSICMOFIHAXRD-NWCKJHLDSA-N 343.452 3.808 0 50 EHAA Cc1ccncc1N1CCN(c2ncnc3ccc(C(C)C)cc23)CC1 2325854555 JZQVXNZPOXUPGL-UHFFFAOYSA-N 347.466 3.783 0 50 EHAA N[C@H]1CN(c2cc(-c3cccc(Cl)c3)ncn2)Cc2ccccc21 2325859671 GDEHHPKDIKKMLL-KRWDZBQOSA-N 336.826 3.817 0 50 EHAA Cc1cc([C@@H]2CCCCN2C(=O)c2ccc(O)nc2C(C)C)no1 2356143591 OQLHCUZOORYAGM-HNNXBMFYSA-N 329.400 3.574 0 50 EHAA COC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc(C)c1C 35188 FJDRBBVFSFPIKS-UONOGXRCSA-N 329.421 3.894 0 50 EHAA Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)SCC(=O)N2 54340 SWWKOIKXMPKBGN-GOSISDBHSA-N 335.432 3.955 0 50 EHAA CC(C)(C)c1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2 147026 DIRFUSJWPJWVRT-UHFFFAOYSA-N 341.407 3.773 0 50 EHAA O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccco1 468029 LCKDECZBANKJES-UHFFFAOYSA-N 337.813 3.670 0 50 EHAA CCOc1ccc(C(=O)Nc2cc(OC)cc(OC)c2)cc1OCC 618191 VCSFPXCBWPNZDG-UHFFFAOYSA-N 345.395 3.754 0 50 EHAA Cc1c(NC(=O)COc2cccc3ccccc23)cccc1C(=O)O 618736 QYDDDUVLALRHNZ-UHFFFAOYSA-N 335.359 3.864 0 50 EHAA O=C(c1sc2ccccc2c1Cl)N1CCC2(CC1)OCCO2 1053501 BQUKUSOAXQIGPE-UHFFFAOYSA-N 337.828 3.534 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)CCCOc1cccc(C)c1 1773730 FJSPDCKIJXMQON-UHFFFAOYSA-N 341.407 3.969 0 50 EHAA Cc1ccccc1C(=O)c1cnn(-c2ccc(F)c(Cl)c2)c1N 2522188 IPGLKVWKNFLOIC-UHFFFAOYSA-N 329.762 3.786 0 50 EHAA CCn1ncc(Br)c1-c1nc(-c2ccc(C)cc2)no1 2807901 WTGVEFQJWJAFHG-UHFFFAOYSA-N 333.189 3.691 0 50 EHAA O[C@@H]1C2CCN(CC2)[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 4827614 RUPWEIHMVFBUON-VQTJNVASSA-N 329.390 3.552 0 50 EHAA Cc1cc(=O)[nH]c(S[C@H](C(=O)c2ccccc2)c2ccccc2)n1 5042908 UHISHGDTIQFCMF-SFHVURJKSA-N 336.416 3.795 0 50 EHAA CO[C@H](C(=O)NCCSc1ccc(Cl)cc1)c1ccccc1 6145484 DZKKHCNFJMUQBC-INIZCTEOSA-N 335.856 3.936 0 50 EHAA COc1ccccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1 6715583 OLDLTKGVEIPCDF-UHFFFAOYSA-N 345.830 3.703 0 50 EHAA O=C(Nc1cccc(C(=O)Nc2nccs2)c1)c1ccc(F)cc1 8909305 YIKVMHDIKNCGGB-UHFFFAOYSA-N 341.367 3.787 0 50 EHAA Cc1ccccc1CCN1CCC[C@@H](CN(C)Cc2nccs2)C1 12711271 SGTCDRBYCANGAO-SFHVURJKSA-N 343.540 3.838 0 50 EHAA CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c(c1)OCCO2 13327658 NEFBLTRPEBFLCK-KRWDZBQOSA-N 341.407 3.871 0 50 EHAA 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Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H](C)Oc1cccnc1 153258608 UVGHKUUKDXXNCP-ZIAGYGMSSA-N 347.484 3.957 0 50 EHAA Cc1cnc([C@@H](NC(=O)c2cc(-c3ccco3)on2)C2CC2)s1 174033129 OPAVMNTVJPSLDA-AWEZNQCLSA-N 329.381 3.581 0 50 EHAA Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1csnc1C 179503225 HVWZLADPHOCNEW-UHFFFAOYSA-N 348.378 3.535 0 50 EHAA CN1C(=O)CC[C@@H](C(=O)Nc2ccsc2Cl)[C@@H]1c1ccccc1 186974477 SCWTZWXUYZRSFE-DOMZBBRYSA-N 348.855 3.950 0 50 EHAA COc1cnccc1[C@@H](C)NC(=O)N1CCCC[C@H]1c1ccc(C)o1 187509517 JUHUFIDDESCLPX-ZBFHGGJFSA-N 343.427 3.989 0 50 EHAA COCCn1nc(C)c(NC(=O)N[C@H](C)CC2CCCCC2)c1C 193594959 JUIUWKFNCSULTM-CYBMUJFWSA-N 336.480 3.627 0 50 EHAA C[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1cccc(O)c1 194860238 IZVJNMKCWUMJRE-HNNXBMFYSA-N 347.418 3.890 0 50 EHAA CC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCc2ccccn2)s1 220415508 PGXBGMRDDSXWOR-INIZCTEOSA-N 342.464 3.973 0 50 EHAA CC(C)[C@@H](CNC(=O)Nc1ccc(F)cc1Cl)c1ccnn1C 252490527 KWMIJILGVVGSSF-GFCCVEGCSA-N 338.814 3.774 0 50 EHAA O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1cc[nH]n1 253401642 FTCXECOZUJBATR-CQSZACIVSA-N 328.803 3.677 0 50 EHAA COCc1nc(C(=O)N2CC3(CCCC3)c3cccc(Cl)c32)co1 253431828 UJNHWDQQBHUGIN-UHFFFAOYSA-N 346.814 3.947 0 50 EHAA CCc1ocnc1C(=O)NCc1nc2cc(C(C)(C)C)ccc2o1 299784340 HFKURQDFFKVWHP-UHFFFAOYSA-N 327.384 3.606 0 50 EHAA Cc1ccc(NC(=O)c2ccc3oc(O)nc3c2)cc1-c1ncco1 376247848 ANGFHGDVHMXQAV-UHFFFAOYSA-N 335.319 3.749 0 50 EHAA COc1ccccc1COc1ccccc1-c1cnc2nc(C)nn2c1 426478882 JOAIFSXTAUQMQD-UHFFFAOYSA-N 346.390 3.687 0 50 EHAA O=C(NCc1cccc(C(F)(F)F)c1F)N1CCC(F)(F)CC1 426667625 RUOOSODKPVZYJC-UHFFFAOYSA-N 340.267 3.785 0 50 EHAA CC(C)c1ccc(N2C[C@@H](C(=O)NCc3ccsc3)CC2=O)cc1 827696794 ZPFVPELGULRMGL-INIZCTEOSA-N 342.464 3.541 0 50 EHAA CN(C(=O)c1cn(C)nc1C1CCCC1)c1nc2ccccc2s1 901804185 RPWSHFAOJYJPSO-UHFFFAOYSA-N 340.452 3.964 0 50 EHAA Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc(C(C)(C)C)nc3)C2)c1 934823788 SSJWEKNZJRWCGH-INIZCTEOSA-N 341.459 3.753 0 50 EHAA Cc1cc(C(=O)N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)cc(C)n1 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3.566 0 50 EHAA COc1ccc(OCC(=O)Nc2nc3ccc(C)cc3s2)cc1 107103 NJGCJVDDGJVTQM-UHFFFAOYSA-N 328.393 3.631 0 50 EHAA CC(C)Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 144466 RVCKBVUQXPYNJW-UHFFFAOYSA-N 325.817 3.928 0 50 EHAA CC12CN(Cc3ccccc3)CC(C)(CN(Cc3ccccc3)C1)C2=O 348384 GKEOZRFZPOMNLN-UHFFFAOYSA-N 348.490 3.600 0 50 EHAA CCc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1 443078 OLIWLWFBULBAIH-UHFFFAOYSA-N 340.379 3.992 0 50 EHAA Cc1nc(SCC(=O)NCc2ccco2)c2c(C)c(C)sc2n1 573678 WYLKWKYKWGCRGT-UHFFFAOYSA-N 347.465 3.618 0 50 EHAA O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccco1 618713 HJXOBSWEXRSEEY-UHFFFAOYSA-N 336.376 3.841 0 50 EHAA Cc1ccc(C)c(NC(=O)c2ccccc2NC(=O)[C@H]2CCCO2)c1 1422637 SBWNSRQEGUTZHX-GOSISDBHSA-N 338.407 3.673 0 50 EHAA CCC(=O)Nc1cccc(NC(=O)[C@@H](CC)Oc2ccccc2)c1 9230849 GBOUQGCULDVSPL-QGZVFWFLSA-N 326.396 3.831 0 50 EHAA COc1ccccc1C(=O)Nc1ccccc1OC[C@H]1CCCO1 10155968 SAADPJNFODSWLP-CQSZACIVSA-N 327.380 3.505 0 50 EHAA CC(=O)c1cccc(CN2CCC[C@@H](CCC(=O)N3CCCC3)C2)c1 11844475 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EHAA CC[C@H](C)N(Cc1ccccc1F)C(=O)c1cc(Cl)c[nH]c1=O 55168624 AJEBFYDNBFNEEW-NSHDSACASA-N 336.794 3.608 0 50 EHAA Brc1csc(CN2CCN(c3ccccc3)CC2)c1 55543796 YYDYARJAJQYRFP-UHFFFAOYSA-N 337.286 3.833 0 50 EHAA Cc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2ncc[nH]2)cc1 63870268 ACPQYENQLLEQLV-UHFFFAOYSA-N 335.407 3.649 0 50 EHAA Brc1cc(I)c2ncccc2c1 65337159 CWBCAHFYCUZWTD-UHFFFAOYSA-N 333.954 3.602 0 50 EHAA in-vitro Cc1ccsc1[C@@H]1CCN(Cc2cc3ccccc3n2C)C[C@H]1O 65385874 XKVCYPSJXZJVRO-IEBWSBKVSA-N 340.492 3.899 0 50 EHAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)CCCO2 72412334 VJOFXDBCZJDWJR-UHFFFAOYSA-N 348.402 3.939 0 50 EHAA Cc1nc2cc(C(=O)N(Cc3ccccn3)Cc3ccco3)ccc2[nH]1 97463537 ZJRQTOQYASRTKW-UHFFFAOYSA-N 346.390 3.702 0 50 EHAA O=C(Nc1cnc(C2CC2)nc1)N1CC=C(c2cccs2)CC1 118019988 QDVYBZCUUCZFOY-UHFFFAOYSA-N 326.425 3.737 0 50 EHAA Cc1cc(-c2ncccc2NC(=O)NCC2CCN(C)CC2)cs1 189203843 ABXMECJBOIZAAH-UHFFFAOYSA-N 344.484 3.582 0 50 EHAA Cc1nc2c(s1)[C@@H](N(C)C(=O)c1nc3cccnc3s1)CCC2 193938729 MYJMCWNFAUZGCP-LBPRGKRZSA-N 344.465 3.606 0 50 EHAA COC(=O)CSc1nncn1-c1ccc(C2CC2)c2ccccc12 211175039 COTUIISAXUDHPP-UHFFFAOYSA-N 339.420 3.563 0 50 EHAA O=C(c1cccc(F)c1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212899322 VRJOVEYRDAKOPZ-RTWAWAEBSA-N 349.405 3.970 0 50 EHAA Cc1ncsc1CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 240668599 HNTAMMHWESLTDX-LLVKDONJSA-N 330.379 3.504 0 50 EHAA O=C(O)CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 253371014 ZMKQHAOCSWUPGS-RCBQFDQVSA-N 335.831 3.547 0 50 EHAA C[C@@H](c1cccnc1)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 253630238 PGOVWNRZGZGMPF-MAUKXSAKSA-N 333.439 3.807 0 50 EHAA C[C@H](N)CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 261717432 DVWKEAPLSSEVQU-JTQLQIEISA-N 339.317 3.569 0 50 EHAA O=c1c2oc3ccccc3c2ncn1Cc1ccn(C2CCCC2)n1 268635050 YTLZONHMGFFHGN-UHFFFAOYSA-N 334.379 3.503 0 50 EHAA Cc1nn(C)c(C)c1CNCc1ccnc(Oc2ccccc2F)c1 278762264 OBCKIAIKLUMKNG-UHFFFAOYSA-N 340.402 3.653 0 50 EHAA CC[C@@H]1CCCC[C@@H]1NC(=O)c1sc(-c2ncccn2)nc1C 298851725 LLCORKHEIALXTK-OLZOCXBDSA-N 330.457 3.607 0 50 EHAA Cc1ccccc1[C@H]1CCN(C(=O)c2coc(C3CCOCC3)n2)C1 328778623 GIZMJVPLUZFNLT-INIZCTEOSA-N 340.423 3.507 0 50 EHAA CCc1noc(C)c1C(=O)N1CCC(Oc2ccccc2Cl)CC1 330412646 AEBJSWHVAPQRNB-UHFFFAOYSA-N 348.830 3.882 0 50 EHAA N=c1[nH]c(C2CC2)ncc1-c1noc([C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 333073957 DCNKGXORMRIIPM-MRVWCRGKSA-N 339.443 3.890 0 50 EHAA COC(C)(C)CCNC(=O)c1ccc(-c2ccc([C@H](C)O)cc2)cc1 426534068 OIFUTFFTXNXSMF-HNNXBMFYSA-N 341.451 3.952 0 50 EHAA Cc1ncc(S(=O)(=O)N2Cc3ccccc3-c3ccccc32)s1 677233562 GPFJIQVYPYAZLV-UHFFFAOYSA-N 342.445 3.827 0 50 EHAA CP(C)(=O)c1ccc(-c2nc([C@H]3CCOC4(CCC4)C3)no2)cc1 904159560 MVHWDAROLZSMSL-AWEZNQCLSA-N 346.367 3.801 0 50 EHAA c1csc(CN2CCC[C@H](NCc3ccc4[nH]ccc4c3)C2)c1 952868795 AXCFIKJQODGHKW-KRWDZBQOSA-N 325.481 3.984 0 50 EHAA Cc1nc(SCc2ccc(S(C)(=O)=O)o2)[nH]c1-c1ccccc1 1459033174 GNFKKMNPXSPVEJ-UHFFFAOYSA-N 348.449 3.674 0 50 EHAA Cc1[nH]nc(CCC(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)c1C 1506396538 CGCYKJLRYFSAGQ-NRFANRHFSA-N 339.483 3.785 0 50 EHAA 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EHAA Cc1cc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cnn1 225545211 UVSPIRXGKGGCHK-UHFFFAOYSA-N 349.356 3.824 0 50 EHAA COc1ccnc(CN2CCC(c3nc4c(C)cccc4[nH]3)CC2)c1 244647044 GUDCLODGMSQNGW-UHFFFAOYSA-N 336.439 3.655 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 253617100 DUHUCHOQIDJXAT-HWCVMEOZSA-N 332.484 3.774 0 50 EHAA O=C(N[C@@H](CC1CC1)C(=O)O)c1cc(-c2ccccc2)ccc1Cl 262140675 AEFABNGGMTWTKK-KRWDZBQOSA-N 343.810 3.990 0 50 EHAA Cc1nn(C)c(C)c1C(=O)Nc1cc(-c2ccccc2)nn1C(C)C 338176448 PCNOUROMXGOQMM-UHFFFAOYSA-N 337.427 3.734 0 50 EHAA C[C@@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)C1CCC(C)(C)CC1 408273757 GAWUHUWLCUGLTF-AWEZNQCLSA-N 343.533 3.550 0 50 EHAA O=C(c1ccc(-c2cncc3ccccc23)cc1)N1CCCC[C@@H]1CO 426538276 CEEVPGACCGTZKR-LJQANCHMSA-N 346.430 3.889 0 50 EHAA COc1cc(C)c([C@H](C)Nc2cnn([C@H]3CCOC3)c2C)cc1C 453346754 OTVVJMRIWGHCCN-HOCLYGCPSA-N 329.444 3.951 0 50 EHAA Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2cnc3ccccn23)cc1 825181654 PVPXQLSNAVOMQD-HNNXBMFYSA-N 339.464 3.782 0 50 EHAA Cc1ccc([C@@H](NC(=O)CCCn2cccn2)c2cccnc2)cc1C 827992490 UBMCOPMOEHNFPV-OAQYLSRUSA-N 348.450 3.581 0 50 EHAA Cc1ccc(N(CC2CC2)S(=O)(=O)c2cnn(C3CCC3)c2)cc1 901947893 QCXPZGLOYKEOQR-UHFFFAOYSA-N 345.468 3.522 0 50 EHAA O=C(O)[C@@H](c1ccsc1)N1CCC(c2nc3c(s2)CCC3)CC1 903915644 BKDCZIVPTGTTJU-OAHLLOKOSA-N 348.493 3.699 0 50 EHAA COc1ccc(Cc2ccc3c(c2)OCO3)cc1CN1CCCC1 1772707798 ZFYGMDOEKFRXOU-UHFFFAOYSA-N 325.408 3.611 0 50 EHAA COc1ccc([C@H]2C[C@H](NC(=O)[C@@H](C)c3cccc(O)c3)C2)cc1F 1775987884 FDLTVUCQFLOMIZ-RCBQFDQVSA-N 343.398 3.706 0 50 EHAA C=CC(=O)N(Cc1cccs1)[C@H]1CCc2cnn(C(C)C)c2C1 1875382514 DYTNBBDDHSEZIE-HNNXBMFYSA-N 329.469 3.598 0 50 EHAA CC(C)(C)c1cnn(-c2ccccc2OC[C@H]2C[N@]2CC2CC2)c1 1875385700 ZJMDAERMGSNMQD-VGSWGCGISA-N 325.456 3.643 0 50 EHAA COc1ccc(-c2ncc(CN3CCC[C@H](OC)C3)s2)cc1F 2356148270 OEQVFPFYKIUYQQ-ZDUSSCGKSA-N 336.432 3.569 0 50 EHAA COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)C(C)C 529295 DQSTUOQIXHQOPS-UHFFFAOYSA-N 326.396 3.850 0 50 EHAA O=C(c1ccccc1)c1cn(CC(=O)N2CCCCC2)c2ccccc12 573683 HSXUWVVBDSAXGB-UHFFFAOYSA-N 346.430 3.885 0 50 EHAA C[C@@H](C(=O)Nc1cccc(F)c1)[C@H]1Sc2ccccc2NC1=O 1062427 WCLMPKKJYMNGQI-MEBBXXQBSA-N 330.384 3.513 0 50 EHAA O=C(Nc1ccccc1)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F 1402811 DSENVSORJPEBJV-OAHLLOKOSA-N 338.329 3.644 0 50 EHAA COCC[C@H]1CN(C(C)C)C(=O)C1(c1ccccc1)c1ccccc1 1569146 GPDFACRFUHVNRD-FQEVSTJZSA-N 337.463 3.876 0 50 EHAA CCOc1ccc(-n2c(C)c(C(=O)OC)c3cc(O)ccc32)cc1 2841459 SYHGGKMWEJJBRM-UHFFFAOYSA-N 325.364 3.830 0 50 EHAA COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccc(F)cc1 4488508 ACTFAIZNLJPPQB-GOSISDBHSA-N 345.414 3.682 0 50 EHAA CC(C)C[C@@H](NC(=O)OCc1ccccc1)n1nnc2ccccc21 5284613 KISGVGRWCFIBHD-SFHVURJKSA-N 338.411 3.902 0 50 EHAA CCOc1c(Cl)cc(CN[C@@H](C)[C@@H](O)c2ccccc2)cc1OC 19871841 XSOXWLLLSNOJGJ-SCLBCKFNSA-N 349.858 3.959 0 50 EHAA CC(=O)c1cccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)c1 33088901 XWFYVEGZFJDMKS-LBPRGKRZSA-N 346.386 3.574 0 50 EHAA Cc1cccc(-c2ncc(CNC[C@H]3OCCc4ccccc43)cn2)c1 55168052 RWMJREYJGSHRPW-OAQYLSRUSA-N 345.446 3.856 0 50 EHAA CC(=O)Oc1c(C)cc(-c2ccccc2CN2CCOCC2)cc1C 65375923 AACRELSKNCQARW-UHFFFAOYSA-N 339.435 3.728 0 50 EHAA c1sc(C23CC4CC(CC(C4)C2)C3)nc1CN1CCCOCC1 65418732 HWTYXSHTJFNDGW-UHFFFAOYSA-N 332.513 3.833 0 50 EHAA Cc1cc(C)n(CCCn2ccnc2-c2cnc(-c3ccco3)nc2)n1 67955527 NRIAJZXCYXTWIT-UHFFFAOYSA-N 348.410 3.504 0 50 EHAA Cc1nccc(N2CCC[C@](C/C=C/c3ccccc3)(C(=O)O)C2)n1 71767697 QSKBYULSADLCEJ-MRSBXDGLSA-N 337.423 3.560 0 50 EHAA Cc1cc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)cc(C)n1 77389991 WVEYFXKJFGXKGS-NRFANRHFSA-N 341.499 3.850 0 50 EHAA O=C(c1ccc2cc[nH]c2c1)N1CCCN(C2CCCCC2)CC1 77420927 KSXGYYOSKMIFOM-UHFFFAOYSA-N 325.456 3.649 0 50 EHAA c1cn(CC2CC2)c([C@@H]2CCCN(c3ncnc4sccc34)C2)n1 82137174 QDCDNTYHMQJLQW-CQSZACIVSA-N 339.468 3.682 0 50 EHAA Cc1cc2cc(C(=O)NCC[C@H]3COc4ccccc4O3)ccc2o1 91678334 YRWDPNBZQMLJRU-INIZCTEOSA-N 337.375 3.701 0 50 EHAA COC(=O)N[C@@H](C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 95627671 QSTKSWLSLJXMJZ-LURJTMIESA-N 343.223 3.651 0 50 EHAA in-vitro Cc1ccnc2c(N3C(=O)[C@H]4CC(Cl)=CC[C@H]4C3=O)cccc12 100629422 ZJJOAPCYMNANPF-KGLIPLIRSA-N 326.783 3.565 0 50 EHAA O=C(Cc1ccc(F)cc1Cl)NCc1ccccc1-n1ccnc1 135170887 HATADFCPWXQDFX-UHFFFAOYSA-N 343.789 3.524 0 50 EHAA CCC(CC)[C@H](NC(=O)Nc1cn(C)c(=O)cc1C)c1ccccc1 161779183 NTNBFOLYKOXTDJ-IBGZPJMESA-N 341.455 3.993 0 50 EHAA COc1cc(F)cc(N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 170592493 AJUZAFKKMUURQP-KUHUBIRLSA-N 329.419 3.552 0 50 EHAA CN1CCC(NC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)CC1 173381460 MGERZHASEBHXRN-OAQYLSRUSA-N 349.478 3.590 0 50 EHAA O=C(c1ccccc1Cl)N1CCCC[C@H]1c1nnc2n1CCCC2 176444109 JERIPYGYQPWRNI-HNNXBMFYSA-N 344.846 3.635 0 50 EHAA Clc1cccc2c1OCCC[C@H]2NCc1cnn2ccccc12 180992103 VCRWPFNOMIKOSE-MRXNPFEDSA-N 327.815 3.991 0 50 EHAA C[C@H](NC(=O)NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cccnc1 194073119 FHOONPAMCJABFX-KFKAGJAMSA-N 339.439 3.610 0 50 EHAA Cc1cc(F)cc(Br)c1OCc1nnc(C(C)C)o1 194735990 OIPAVKKDEVKEJB-UHFFFAOYSA-N 329.169 3.982 0 50 EHAA Cc1cc(C)c2cc(C(=O)N3CCC[C@@H](CCC(=O)O)C3)[nH]c2c1 237621347 ADJACQSUZMVJEY-AWEZNQCLSA-N 328.412 3.502 0 50 EHAA COC[C@@H](c1ccccn1)N(C)Cc1nc(C)cc(-c2ccccc2)n1 244882473 XSKZTSKKRYARTC-FQEVSTJZSA-N 348.450 3.667 0 50 EHAA Cc1nc(C)c(C)c(N[C@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)n1 244899819 ZQXLGELLPFJRMH-HQRMLTQVSA-N 348.450 3.874 0 50 EHAA C[C@@H]1CCc2sc(C(=O)OCC(=O)N[C@H]3CCCC[C@H]3C)cc2C1 247977234 DLUYOOCMQBESBS-NFAWXSAZSA-N 349.496 3.725 0 50 EHAA O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)[C@H]1CCCc2[nH]cnc21 252482486 DGRYJRSEINHSOG-PKOBYXMFSA-N 349.409 3.875 0 50 EHAA O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)[C@@H](c1ccccc1)n1cccn1 252680077 VKXYMZHVXCINEW-IJXRJRJASA-N 337.467 3.948 0 50 EHAA CCOc1ccc(CN(Cc2ccccn2)[C@H]2CCCNCC2)cc1 275840924 XOUHCEVDMWKIJE-FQEVSTJZSA-N 339.483 3.625 0 50 EHAA Cn1cc(NC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cn1 282698053 FNYDHXZBKJAZSR-UHFFFAOYSA-N 346.284 3.534 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1coc(-c2cccc(F)c2)n1 299744297 RVMBUTRICLLGOV-ZLIFDBKOSA-N 344.386 3.698 0 50 EHAA CCc1oncc1C(=O)NCc1nc2cc(C(C)(C)C)ccc2o1 299794534 KQWKEYODBGJGAN-UHFFFAOYSA-N 327.384 3.606 0 50 EHAA Cc1ccccc1[C@H]1CCCN1C(=O)c1cnn(-c2cccnc2)c1 347506494 ZCSMQYJQFWCHHH-LJQANCHMSA-N 332.407 3.553 0 50 EHAA CC(C)(CNCc1cc(C2CCNCC2)no1)Cc1ccccc1 425900976 PAMPSTMURCRCGD-UHFFFAOYSA-N 327.472 3.500 0 50 EHAA Cc1cnc([C@@H](C)NC(=O)NCc2cccc(OC3CC3)c2F)s1 660810220 XJCHCYJORMATHQ-LLVKDONJSA-N 349.431 3.692 0 50 EHAA Cc1ccc(-c2nc(-c3ccco3)cc(-c3c(C)nn(C)c3C)n2)nn1 825199598 WPZGVDMYTJTVSL-UHFFFAOYSA-N 346.394 3.519 0 50 EHAA Cc1cc(F)ccc1N1CCC(NCCNc2ncccc2C)CC1 1506400365 DFJJZKQFVWKFBV-UHFFFAOYSA-N 342.462 3.508 0 50 EHAA Fc1ccc(N2CCC(N3CCC[C@@H](c4cc[nH]n4)C3)CC2)cc1F 1506416525 DXDBHVAJBVMANR-CQSZACIVSA-N 346.425 3.536 0 50 EHAA CCc1cc(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)ncn1 1565509797 RJIAMBOOMIMYQY-UXHICEINSA-N 333.435 3.547 0 50 EHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H]2CCC(=O)N(C)C2)ccc1F 1775984422 SVDNKLLLNKXDKG-OQIJWPOYSA-N 344.474 3.713 0 50 EHAA CCCCCc1nc(-c2cc(C)n(CC)n2)n([C@@H]2CCCC[C@H]2O)n1 1857678456 YXHQZBGEEHDELS-IAGOWNOFSA-N 345.491 3.679 0 50 EHAA O=C(O)[C@@H]1CCCN(Cc2cnc(-c3cccc(Cl)c3)s2)C1 1875270540 ORKCJGJCBDDVFW-GFCCVEGCSA-N 336.844 3.760 0 50 EHAA CCn1cc(NC(=O)N2CCC[C@H]2c2cc(F)ccc2F)ccc1=O 1875289929 YRTKUZHXMHXYDR-INIZCTEOSA-N 347.365 3.515 0 50 EHAA O=C(OC[C@@H]1CC[C@H](C2CC2)O1)c1cc(OC2CCCC2)ccn1 1875311282 SJQYYARASSBLPZ-FUHWJXTLSA-N 331.412 3.517 0 50 EHAA CC1CCN(c2nnc(-c3cc(F)c(F)cc3Cl)n2C)CC1 2325701378 WXPCBIQOANIWCJ-UHFFFAOYSA-N 326.778 3.650 0 50 EHAA OCc1nnc(N2CCC(C3(c4cccc(Cl)c4)CC3)CC2)s1 2325809725 CCKSJDPAUYRQCY-UHFFFAOYSA-N 349.887 3.632 0 50 EHAA O=C(O)c1cccc(C(F)(F)C(=O)N[C@@H]2CCCc3ccccc32)c1 2325878991 DPGZEQROULIXPF-MRXNPFEDSA-N 345.345 3.670 0 50 EHAA C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)c1ccccc1 38001 DLBQSKMMKHAKHC-CYBMUJFWSA-N 334.371 3.932 0 50 EHAA biogenic Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O 292455 NYMLMXFSLZJSRQ-UHFFFAOYSA-N 344.823 3.562 0 50 EHAA COc1ccc([C@@H]2N=C(c3ccccc3)C(C)(C)N2O)cc1OC 300210 GGUSVNJNBCCGLN-GOSISDBHSA-N 326.396 3.675 0 50 EHAA c1ccc(N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1 447038 KOCQCAWHAUJTLO-UHFFFAOYSA-N 336.464 3.507 0 50 EHAA COc1ccc(C(=O)c2ccc(OC)c3cccc(O)c23)cc1OC 506579 OIGUFIZIMWCLAK-UHFFFAOYSA-N 338.359 3.802 0 50 EHAA Cc1ccc(C(=O)[C@@H](OC(=O)c2cnccn2)c2ccccc2)cc1 521837 VRLVDQLEEAFANW-IBGZPJMESA-N 332.359 3.566 0 50 EHAA O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccco1 1161320 INDMHPPHIHMGMU-UHFFFAOYSA-N 349.843 3.660 0 50 EHAA O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCCCCC1 2749486 ILBDOFYZWPFZAY-UHFFFAOYSA-N 334.370 3.561 0 50 EHAA COc1ccc(OCCSc2nc(-c3ccccc3C)n[nH]2)cc1 4814586 XIEOPJYLKDKDSD-UHFFFAOYSA-N 341.436 3.960 0 50 EHAA CCOc1cccc2cc(C(=O)N3CCCCCCC3)c(=O)oc12 6699250 WUBPYVVHTBCYTP-UHFFFAOYSA-N 329.396 3.598 0 50 EHAA O=C(NC1CCCC1)c1cn(C(c2ccccc2)c2ccccc2)nn1 12090948 TXEPWUYVRYHQOT-UHFFFAOYSA-N 346.434 3.588 0 50 EHAA CSc1ccccc1N1C(=O)CN(C/C=C/c2ccco2)C[C@@H]1C 12244162 ARIAUCMJDGPEQO-ZKKXHLJNSA-N 342.464 3.752 0 50 EHAA CCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)C)cc2)on1 33270463 ZGTPVZGLQKRVDW-KRWDZBQOSA-N 348.468 3.886 0 50 EHAA OCCOc1ccccc1CN(Cc1ccsc1)Cc1ccco1 55134082 BZPFYRLCHWGOLL-UHFFFAOYSA-N 343.448 3.915 0 50 EHAA CC(C)[C@H](C)N(CCn1c(=O)oc2ccccc21)Cc1ccco1 55414018 RDHRTFFAKMAVPJ-HNNXBMFYSA-N 328.412 3.734 0 50 EHAA COc1ccc(-c2nc(Cn3cc(C)nc3C)c(C)o2)c(OC)c1C 67694895 WXSSBVBGXWENDV-UHFFFAOYSA-N 341.411 3.837 0 50 EHAA CC(C)c1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@H](C)CC3=O)cc1 71754895 JDMAOWBITDWRTN-LBPRGKRZSA-N 338.407 3.516 0 50 EHAA COc1cccc(NC(=O)c2cccc(Oc3ccc(C)nn3)c2)c1 72446824 WXXLGBOUJJPJBV-UHFFFAOYSA-N 335.363 3.838 0 50 EHAA c1ccc(-c2ncsc2CN[C@@H]2CCOC3(CCOCC3)C2)cc1 77287175 RUGCWMMWYONSJS-MRXNPFEDSA-N 344.480 3.628 0 50 EHAA CC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1[nH]c3c(Cl)cccc3c1C)C2 91487110 HXOFUJKNBWXRDB-LSDHHAIUSA-N 345.874 3.572 0 50 EHAA COc1ccc2c(c1)cc(C(=O)NCc1nc3c(C)cccc3o1)n2C 91915381 JEPOKOSIOQYRJT-UHFFFAOYSA-N 349.390 3.567 0 50 EHAA COc1cccc2c1CC[C@H]2NC(=O)CCc1nc2c(C)cccc2[nH]1 153643932 SSVACOWYQIBHIN-MRXNPFEDSA-N 349.434 3.616 0 50 EHAA CN(C)CCC1CCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 175117850 POWOKBQLDQFXAW-UHFFFAOYSA-N 331.435 3.644 0 50 EHAA C[C@H]1C[C@@H](c2cccnc2)N(C(=O)CCc2cccc(N(C)C)c2)C1 194560704 NVCNHQIWFUVYFH-JXFKEZNVSA-N 337.467 3.690 0 50 EHAA O=C1[C@@H]2CC[C@@H](CN(Cc3ccc4occc4c3)C2)N1CC1CCC1 212091052 MRWBVKRNRJEZGQ-MOPGFXCFSA-N 338.451 3.656 0 50 EHAA C[C@@H]1CCc2c(C(=O)N3CCC[C@@H](CCC(=O)O)C3)csc2C1 237435975 SUPFUGOGGOMKCC-OLZOCXBDSA-N 335.469 3.590 0 50 EHAA O=C(NCCCOc1cccnc1)C1(c2ccc(Cl)cc2)CCC1 240228094 KFYQDPUKHIQFBV-UHFFFAOYSA-N 344.842 3.742 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)o1 253432936 QAPAPKXAEDMTLH-UHFFFAOYSA-N 349.390 3.508 0 50 EHAA C[C@H]1CN(c2ccnc3cc(Cl)ccc23)CC2(CCOCC2)O1 279152023 BCKAVNZUKDMUPY-ZDUSSCGKSA-N 332.831 3.663 0 50 EHAA Cc1noc(C)c1C(C)(C)NC(=O)c1csc(Br)c1 286325562 HMYGQFQVFXPTSU-UHFFFAOYSA-N 343.246 3.781 0 50 EHAA O=C(Nc1csc(-c2ccccn2)n1)N1CCc2ccccc2C1 353409072 UWEDVPPZEFHVAF-UHFFFAOYSA-N 336.420 3.795 0 50 EHAA O=C(Nc1ccc(Cl)cc1Nc1ccccc1)c1ccc(O)nn1 408515145 MRTGYKLTKLNRJQ-UHFFFAOYSA-N 340.770 3.832 0 50 EHAA COc1ccc([C@H](C)NC2CCN(Cc3ccccn3)CC2)c(C)c1 414075645 PGPQOTPJJGCPJS-KRWDZBQOSA-N 339.483 3.714 0 50 EHAA COCc1cc(OCc2cc(C3CC3)no2)c2cc(F)ccc2n1 664037753 FULXLJUVDRLWJN-UHFFFAOYSA-N 328.343 3.965 0 50 EHAA O=C(OCC[C@H]1CCOC1)c1cc(-c2ccncc2)nc2ccccc12 816444218 GZNHCPXNUURBDO-OAHLLOKOSA-N 348.402 3.880 0 50 EHAA CCCN(CCC1=CCCCC1)C(=O)[C@@H]1CC(=O)OC12CCCC2 822889606 AYQHZIDJDBOXLL-KRWDZBQOSA-N 333.472 3.991 0 50 EHAA Fc1ccc(N2CCC(NCCCOC3CCCC3)CC2)cc1F 1506398508 QZZUIMYMJXRSMH-UHFFFAOYSA-N 338.442 3.873 0 50 EHAA Cc1cc(NCC2(Cn3ccnc3C)CC2)nc(-c2ccccc2O)n1 1704339549 LSYUVWGGHVPWKH-UHFFFAOYSA-N 349.438 3.555 0 50 EHAA CCc1cccc(NC(=O)N2CCC(c3ccnc(O)c3)CC2)c1 1772814227 OVRHJTNYOUGBAG-UHFFFAOYSA-N 325.412 3.761 0 50 EHAA OC1([C@@H]2CCCN2Cc2ccc(OCCc3ccccc3)cc2)CC1 1772816845 AEAKRIDLUQGUNM-NRFANRHFSA-N 337.463 3.797 0 50 EHAA Oc1nc(=NCc2ccc(-c3ccccc3F)o2)[nH]c2ccccc12 1875257383 RUDYRLWZNCFEQL-UHFFFAOYSA-N 335.338 3.769 0 50 EHAA Cc1c(Cl)cccc1C(=O)N=c1ccn(-c2ncccc2Cl)[nH]1 1875263084 QESFJEMZGBRVRY-UHFFFAOYSA-N 347.205 3.557 0 50 EHAA CC(C)[C@@H](NC(=O)c1ccc(CC(=O)O)cc1)c1ccccc1F 1875268946 WHCIFDGLVRMOJO-GOSISDBHSA-N 329.371 3.580 0 50 EHAA Cc1n[nH]cc1C1CCN(C(=O)c2cc(Cc3ccccc3)c[nH]2)CC1 1875284521 YFWLQIFCFOGWTJ-UHFFFAOYSA-N 348.450 3.657 0 50 EHAA O=C(Nc1ccc2ccccc2c1)c1csc(C[C@@H]2CCNC2)n1 2325778175 GPFAPXYSTSCWLJ-ZDUSSCGKSA-N 337.448 3.701 0 50 EHAA Cc1cccc(C2CCN(C(=O)c3cnc(N)c(Cl)c3)CC2)c1C 2325818739 VMMGOFBZQGRXPT-UHFFFAOYSA-N 343.858 3.954 0 50 EHAA O=C(CCc1c(-c2ccccc2)[nH]c2ccccc12)NCC1=NOCC1 2325839187 LIDSRRPBBQOPQE-UHFFFAOYSA-N 347.418 3.660 0 50 EHAA CC[C@H](C(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1)n1ccnc1 2325855588 HERKDCAWFBCMOL-MAUKXSAKSA-N 343.471 3.715 0 50 EHAA CN(Cc1ccc(C(F)(F)F)cc1)C1=NC[C@@H](c2ccccc2)N1 2325863455 KPRILCYRSOCMMF-INIZCTEOSA-N 333.357 3.838 0 50 EHAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 200108 VSOILJKNYROKOQ-OAHLLOKOSA-N 342.405 3.786 0 50 EHAA O=C(O)COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 467926 BRANVKNXYPCRBM-UHFFFAOYSA-N 340.162 3.709 0 50 EHAA C[C@H](NC(=S)N1CCN(c2ccccc2F)CC1)c1ccccc1 2782100 MATIXAQEMKGLEM-HNNXBMFYSA-N 343.471 3.583 0 50 EHAA CCC(=O)c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1 2892025 KIAFDVHXLYXOEI-UHFFFAOYSA-N 328.364 3.654 0 50 EHAA O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(F)cc1 4027901 ANHLEUNXHQNBCX-UHFFFAOYSA-N 338.334 3.683 0 50 EHAA biogenic O=C(Nc1ccc(Cl)cc1N1CCOCC1)c1ccccc1F 4865740 KEJVTHSUOCUDST-UHFFFAOYSA-N 334.778 3.568 0 50 EHAA CCCN1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 6726376 YRJAHUUPRXIFDX-UHFFFAOYSA-N 330.259 3.989 0 50 EHAA Cc1cc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)cs1 6730795 BDMNHFHVEHACSM-UHFFFAOYSA-N 344.465 3.583 0 50 EHAA CCC(=O)Nc1cccc(NC(=O)[C@H](CC)Oc2ccccc2)c1 9230848 GBOUQGCULDVSPL-KRWDZBQOSA-N 326.396 3.831 0 50 EHAA Cc1ccnc(S[C@H](C)C(=O)Nc2nc3ccccc3s2)n1 10230945 OCEMAYMQXJHNEU-SNVBAGLBSA-N 330.438 3.514 0 50 EHAA CC(C)(C)CN1CCC[C@]2(CCN(Cc3cccc4c3OCO4)C2)C1 12072616 ICZJQRUEDXIZEF-OAQYLSRUSA-N 344.499 3.749 0 50 EHAA CCCC(=O)NC[C@@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 14957696 YGRARJRTYXGSNQ-KRWDZBQOSA-N 337.419 3.776 0 50 EHAA CCOC(=O)c1c(NC(=O)c2c(C)noc2C)sc(C)c1CC 16602841 SCKCHRLUSQEPDF-UHFFFAOYSA-N 336.413 3.653 0 50 EHAA Clc1ccc(COc2ccccc2[C@H]2NCCc3[nH]cnc32)cc1 65456700 YMNHKTXOTNGAOC-GOSISDBHSA-N 339.826 3.877 0 50 EHAA O=C(O)[C@H](Cc1ccco1)n1ccnc1-c1coc(-c2ccccc2)n1 71754101 WJXYFUHSZPMWLT-INIZCTEOSA-N 349.346 3.667 0 50 EHAA Cc1ccccc1SC1CCN(C(=O)C[C@H](C)n2cccn2)CC1 77427158 BLZZXEQXZSUBCK-INIZCTEOSA-N 343.496 3.926 0 50 EHAA Cc1nc(C(C)C)cc(N2CCC[C@H](c3nccn3CC3CC3)C2)n1 82096407 BHMMTASVBVGFJA-KRWDZBQOSA-N 339.487 3.899 0 50 EHAA CCCn1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)c(C)n1 92097219 XMLKCRAHQQSTAV-LPHOPBHVSA-N 343.446 3.882 0 50 EHAA O=C1CC2(CCN(c3ccccn3)CC2)CN1CCCc1ccccc1 95357119 SENQWEJBSZZPNB-UHFFFAOYSA-N 349.478 3.533 0 50 EHAA Cc1cc(C)nc(CNC(=O)Nc2cccc(Cl)c2OC(C)C)n1 96131702 AJFQIUAPIBNFQD-UHFFFAOYSA-N 348.834 3.856 0 50 EHAA Cc1cc(C(=O)N(C)[C@@H](C)c2cc(-c3ccccc3)[nH]n2)cnc1C 97468302 QIHPQWCXGFNUII-HNNXBMFYSA-N 334.423 3.922 0 50 EHAA O=C(c1ccncc1F)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 179002219 TZCIQMYXYMGAET-VQIMIIECSA-N 342.414 3.729 0 50 EHAA COc1ccc2[nH]c(C(=O)N3CCC[C@@H]3c3c(C)noc3C)cc2c1 219623636 QKJJPSBQHVCZPB-QGZVFWFLSA-N 339.395 3.759 0 50 EHAA COC(=O)[C@H](c1cccc(Cl)c1)N1CCC=C(c2cccnc2)C1 241707079 QMLVZVFTWBOAGA-SFHVURJKSA-N 342.826 3.738 0 50 EHAA COc1ccc([C@H](NC(=O)C2CCCCCC2)[C@H]2C[C@@H](O)C2)cc1F 244626728 FRNLRCHSPCSUBL-FCEWJHQRSA-N 349.446 3.733 0 50 EHAA O=C(C1SCCS1)N1CCC[C@@H]1c1nc2ccccc2s1 270406233 MCCXBOWPAHYPRU-LLVKDONJSA-N 336.507 3.766 0 50 EHAA Cc1nc([C@H](C)NC(=O)c2cc(CCc3ccccc3)no2)cs1 299768441 KTJPHZTVHMKSLM-LBPRGKRZSA-N 341.436 3.716 0 50 EHAA Cc1n[nH]c(C)c1-c1cccc(C(=O)N(C)CC[C@H]2CCCCO2)c1 299777201 BGIZKADNYQXUBT-GOSISDBHSA-N 341.455 3.725 0 50 EHAA c1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4ccncc4)no3)C2)cc1 328587304 YGHUKLYTMLWJCA-WIYYLYMNSA-N 346.434 3.685 0 50 EHAA CN(C)C(=O)c1ccc(N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)nc1 370646622 XFPFCGSDWAHCOS-OAHLLOKOSA-N 343.402 3.637 0 50 EHAA CC[C@H](NC(=O)Cc1ccc([S@](C)=O)cc1)c1cccc(Cl)c1 390833901 OPUCTJDJPHMISP-SBUREZEXSA-N 349.883 3.887 0 50 EHAA COc1cc(OC)cc([C@H](C(=O)O)N2CCC[C@H]2c2cccs2)c1 652377058 VDPOXYYRMTXWEL-DOTOQJQBSA-N 347.436 3.728 0 50 EHAA COC(=O)NCc1ccc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 735260368 LRSUPYPMMQZRKH-HOTGVXAUSA-N 330.428 3.720 0 50 EHAA O=C(c1csc(-c2ccc(O)cc2)n1)N1CCC2(CCC2)CC1 804625106 HDTQUOCKXUBQJL-UHFFFAOYSA-N 328.437 3.922 0 50 EHAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1ccncc1Cl 828193982 XXKPZILRZJTFND-GFCCVEGCSA-N 332.787 3.545 0 50 EHAA c1ccc(C2(N3CCCC3)CCN(c3nccc4nc[nH]c34)CC2)cc1 896838253 HUZLVFHHAKNOCD-UHFFFAOYSA-N 347.466 3.549 0 50 EHAA O=C1CC[C@@H](NC2(Cc3ccc(Cl)cc3)CC2)CCN1CC1CC1 1506420355 DOUQBWXYPIYIIS-GOSISDBHSA-N 346.902 3.796 0 50 EHAA CCc1ccc2nc(N3CCC(c4n[nH]c(C)n4)CC3)cc(C)c2c1 1506425444 MDQNQMGFGQGJHW-UHFFFAOYSA-N 335.455 3.916 0 50 EHAA c1ccc2c(c1)OC[C@H](Cn1ccnc1-c1cccc3ncccc13)O2 1857707190 HURWJQPYLKHQDL-HNNXBMFYSA-N 343.386 3.938 0 50 EHAA O=C(N[C@@H]1CCOCC12CCC2)c1cccc(Oc2ccncc2)c1 1875277037 YZRBSIJIAVZYMF-GOSISDBHSA-N 338.407 3.563 0 50 EHAA CC[C@@H](C)N=c1[nH]nc(S[C@@H](C)C(=O)c2ccc(F)cc2)s1 2325721574 NKJXSSSSYIWUBI-ZJUUUORDSA-N 339.461 3.673 0 50 EHAA COc1cccc2cc(C(=O)OCCCc3cncc(C)c3)oc12 2325740036 NIUMNPHMMPLPDH-UHFFFAOYSA-N 325.364 3.934 0 50 EHAA CC[C@@H](Nc1nccc(-c2ccc(N(C)C)cc2)n1)c1ccnn1C 2356153184 VTDGHTUGQAAYGW-MRXNPFEDSA-N 336.443 3.506 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 282739 CAYNPQMBKIPNHI-LBPRGKRZSA-N 346.789 3.779 0 50 EHAA COc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 423602 AWRLEVYDKGVGKN-UHFFFAOYSA-N 342.782 3.934 0 50 EHAA COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)cc1 453009 GTCJZMXSCFUMKZ-UHFFFAOYSA-N 339.420 3.628 0 50 EHAA COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 620570 HXEIWOCWEVLXBD-UHFFFAOYSA-N 338.407 3.574 0 50 EHAA COc1ccc(C2=NO[C@H](C(=O)Nc3ccccc3SC)C2)cc1 5029003 SZQRQVPWVLHJOI-INIZCTEOSA-N 342.420 3.549 0 50 EHAA CCOc1ccc(NC(=S)Nc2cccc(C(=O)OC)c2)cc1 5873653 VVCGNORPHYNJAP-UHFFFAOYSA-N 330.409 3.681 0 50 EHAA Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)C[C@@H]2C)cc1 6715658 XTNVNRYWYHLBHL-HNNXBMFYSA-N 327.403 3.877 0 50 EHAA CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2)CC1 8700559 DVJZPRQEOHFPQO-UHFFFAOYSA-N 341.249 3.506 0 50 EHAA in-vitro CC(C)Oc1cccc(C(=O)[C@H]2CCCN(C3CCOCC3)C2)c1 11873496 PNJFUMIHCZPRCG-KRWDZBQOSA-N 331.456 3.548 0 50 EHAA Cc1ccccc1-n1ncc([C@@H](C)NC(=O)CCc2ccncc2)c1C 12200713 VSDJLYCARPTGBI-MRXNPFEDSA-N 348.450 3.694 0 50 EHAA CC[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 16604842 PORRSOJOMYJBLL-OAQYLSRUSA-N 336.479 3.961 0 50 EHAA CC(C)c1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)cc1 16648034 WPPHMEDZIINRIH-UHFFFAOYSA-N 344.802 3.567 0 50 EHAA Cc1cc(C)cc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1 20345353 UMDCPYWZQYZIDF-UHFFFAOYSA-N 341.430 3.792 0 50 EHAA Fc1ccc([C@]2(CNc3ccnn3C3CCCC3)CCOC2)cc1 20905673 QPXIHKDHPYUXKZ-IBGZPJMESA-N 329.419 3.908 0 50 EHAA Cc1ccccc1NC(=O)CC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 55054455 XAZVRFYKBGJQQF-FOIQADDNSA-N 328.456 3.751 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)Cc2ccc(-c3ccn[nH]3)s2)c1 55403206 RWYYTDBXSANMHA-CQSZACIVSA-N 326.469 3.905 0 50 EHAA O=c1cc(CN2CCC[C@@H]2c2ccccn2)c2cccc3c2n1CCC3 67678524 WFMCNOQCCABZFJ-HXUWFJFHSA-N 345.446 3.680 0 50 EHAA COc1cccc(-c2c[nH]nc2C2CCN(Cc3ccccn3)CC2)c1 67947396 CKZNLEACGLLRNA-UHFFFAOYSA-N 348.450 3.860 0 50 EHAA CC(C)(O)CN1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 71746982 HWEXCJGGAIQLDD-HXUWFJFHSA-N 339.479 3.680 0 50 EHAA CC(C)c1nnsc1CNC(=O)CCCc1ccc(Cl)cc1 77323076 DEXMUEVYHUHUCW-UHFFFAOYSA-N 337.876 3.954 0 50 EHAA O=C(Cc1ccc(CO)cc1)N1CCCC[C@@H]1c1ccc(F)cc1 77421188 GAHNRUHCULZECC-LJQANCHMSA-N 327.399 3.614 0 50 EHAA COc1cccc(-c2ccc(C(=O)N3Cc4ccccc4[C@H](O)C3)o2)c1 82126883 BXNWKOVVRZUPJC-GOSISDBHSA-N 349.386 3.645 0 50 EHAA CC(C)(CN1CCCC1)CN1CCC[C@@H](c2ccc(C(=O)O)cc2)C1 95356810 UDAKTDFINCIACV-LJQANCHMSA-N 344.499 3.686 0 50 EHAA CSc1ncccc1C(=O)N1CCC[C@H](c2nccn2C(C)C)C1 95375540 DYPCDGJGFSVBSL-AWEZNQCLSA-N 344.484 3.601 0 50 EHAA Cc1ccc([C@@H](NC(=O)N2CCCN3CCC[C@H]3C2)C(C)(C)C)o1 110616179 INNKCJLSWHAPDG-DOTOQJQBSA-N 333.476 3.555 0 50 EHAA CCC1(C(=O)N2CCC[C@H](c3nnc(S)n3C3CC3)C2)CCCC1 120130423 CEEQPKVVIMWXDG-ZDUSSCGKSA-N 348.516 3.578 0 50 EHAA Cc1cc(Cl)ccc1C(=O)N(C)Cc1ccc([S@@](C)=O)cc1 124621305 IRMXFRNHWCPELI-QFIPXVFZSA-N 335.856 3.658 0 50 EHAA CC(C)CC1(CNC(=O)c2cccc(CN3CCCC3=O)c2)CCC1 151383442 NNURSHCMECQVLR-UHFFFAOYSA-N 342.483 3.755 0 50 EHAA CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)Nc1ncc(-c2ccccc2)s1 170595830 PQKILNDSSCIVHA-NWDGAFQWSA-N 347.440 3.519 0 50 EHAA Cc1ccc(-c2ocnc2C(=O)N2CCSc3ccncc32)cc1 170614271 WPRYOQQPXHYCQZ-UHFFFAOYSA-N 337.404 3.798 0 50 EHAA Cc1csc([C@H](C)N(C)Cc2cccc(Cn3cccn3)c2)n1 214978462 CRHPQJSQGNIVHE-HNNXBMFYSA-N 326.469 3.889 0 50 EHAA Fc1ccccc1[C@H](NCCCCn1ccnn1)[C@@H]1C[C@H]2CC[C@H]1C2 225411669 GTGVHSZLVLGWGF-YTXYEVPYSA-N 342.462 3.965 0 50 EHAA C[C@@H](NC(=O)c1cnc(O)c2ccccc12)c1ccc(F)cc1F 253536891 LYHNPYXSVZNVDR-SNVBAGLBSA-N 328.318 3.710 0 50 EHAA COC(=O)[C@H]1CCCN(C(=O)Nc2ccc(-c3ccco3)cc2F)C1 279675820 GKHPWMHOYFXHCM-ZDUSSCGKSA-N 346.358 3.503 0 50 EHAA C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1cccnc1 281843892 ASVJINQMXFCCHE-JTQLQIEISA-N 342.292 3.904 0 50 EHAA Cc1ccnc(OC2CCN(C(=O)[C@@H]3CCCCC3(F)F)CC2)c1 295633202 CHXXHCVXAWYQTR-HNNXBMFYSA-N 338.398 3.585 0 50 EHAA Cc1ccc([C@@]2(C(=O)N(C)CCC3(O)CCCC3)CC2(C)C)cc1 299761177 VSVLLKPGIRKGNO-OAQYLSRUSA-N 329.484 3.816 0 50 EHAA CN(C(=O)CC1CCN(Cc2ccccc2)CC1)C1CCSCC1 299793764 IHEVLCAUHVHPCI-UHFFFAOYSA-N 346.540 3.643 0 50 EHAA O=C(c1ccsc1)N1CCC2(CCN(Cc3ccccc3)C2)CC1 367172276 VSOZJIUVVLHGBV-UHFFFAOYSA-N 340.492 3.876 0 50 EHAA O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)[C@H]1CC[C@@H](c2ccccc2)O1 367287308 PPYJLXMEBKXTBB-ZSYWTGECSA-N 325.383 3.718 0 50 EHAA CCc1cc(N2CCCC[C@@H]2c2ccc(F)cc2F)n2ncnc2n1 432052635 AYDAJDYDDOXFFM-MRXNPFEDSA-N 343.381 3.697 0 50 EHAA Cc1nc(CN2C[C@@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c(C)o1 660103943 KFKYYZTUGNOYRD-CYBMUJFWSA-N 347.846 3.527 0 50 EHAA Cc1cnccc1C(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 670467174 NOVUISCHOABHNX-FQEVSTJZSA-N 337.467 3.737 0 50 EHAA CC(C)c1ccc(C(=O)N2CCn3c(cc4ccccc43)C2)c(O)n1 820002087 HQUXOKHRLXMDHB-UHFFFAOYSA-N 335.407 3.521 0 50 EHAA CCCn1c(C)nc2cc(NC(=O)Cc3c(C)noc3C)ccc21 823024286 OCRFIRXXPALXMH-UHFFFAOYSA-N 326.400 3.541 0 50 EHAA Cc1nc(C2CCN(C(=O)CC3=CCCCC3)CC2)sc1C(=O)O 864224257 VGYGUYRAWRCOJZ-UHFFFAOYSA-N 348.468 3.746 0 50 EHAA O=C(O)c1cc2cc(CN3CCCC[C@@H]([C@@H]4CCOC4)C3)ccc2o1 903962929 UPPBYEUWJAADLA-HZPDHXFCSA-N 343.423 3.770 0 50 EHAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)N(Cc1ccoc1)C1CC1 930848972 NTYGLNRKMXKMIX-UHFFFAOYSA-N 342.321 3.537 0 50 EHAA COc1cccc2ccc(CN(C)CCCc3c(C)n[nH]c3C)nc12 952982754 QRZVYUCIFPZOCI-UHFFFAOYSA-N 338.455 3.648 0 50 EHAA Cn1nc(C(=O)OCCc2cccc(C(F)(F)F)c2)c2ccccc21 1776003445 PMMRJQDGIMUXNG-UHFFFAOYSA-N 348.324 3.992 0 50 EHAA Fc1cccc(F)c1-c1nccn1C1CCN(C2CCOCC2)CC1 1857723014 SWTCZKFYAAMYLI-UHFFFAOYSA-N 347.409 3.644 0 50 EHAA COc1c(F)cccc1-c1nccn1[C@@H]1CCOC2(CCOCC2)C1 1857740703 VOFDUZXHPHEDDV-CQSZACIVSA-N 346.402 3.599 0 50 EHAA CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cn1 1875339622 QMYKWLBLZNLBHH-UHFFFAOYSA-N 341.436 3.728 0 50 EHAA O=C(c1cccc2ncnn12)N1CCCCC[C@H]1c1cccc(F)c1 2100483756 MGQSJJPKHBAZER-INIZCTEOSA-N 338.386 3.626 0 50 EHAA CN1CC[C@](C)(CNC(=O)c2cccc(-c3nc4ccccc4o3)c2)C1 2325810147 ARGLROPNNAXRRC-OAQYLSRUSA-N 349.434 3.566 0 50 EHAA Cc1cnc(NC2CCC3(CC2)C[C@@H]3N)nc1-c1ccccc1F 2325839612 ZGVZPIKBJFAMHM-LWGFOQHQSA-N 326.419 3.663 0 50 EHAA O=C(NC1CCCCC1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 45166 UIMYJIQLVWVVND-CAPFRKAQSA-N 348.446 3.906 0 50 EHAA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1ccc(Cl)cc1 290959 IBZYTAIRCPRBPK-OAHLLOKOSA-N 346.766 3.842 0 50 EHAA CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 461967 CZUJZNQFFWZNLL-UHFFFAOYSA-N 339.391 3.711 0 50 EHAA COc1cc(NC(=S)NCc2cccs2)c(OC)cc1Cl 467464 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CCn1cc(CN2CCC(c3n[nH]cc3-c3ccccc3C)CC2)cn1 77385653 QVIHFUPYPYADJK-UHFFFAOYSA-N 349.482 3.981 0 50 EHAA COc1cccc(OC[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 77388701 OEINXLGMZCHJBR-CYBMUJFWSA-N 345.361 3.655 0 50 EHAA Cc1ccc2c(C)c(C(=O)N3CCC(Cn4cccn4)CC3)oc2c1 91586491 GOQZYKFLGJDYET-UHFFFAOYSA-N 337.423 3.799 0 50 EHAA O=C1CC2(CCN(CC3CCC3)CC2)CN1Cc1cc(F)cc(F)c1 91943215 GAUYZWZPXDXILM-UHFFFAOYSA-N 348.437 3.579 0 50 EHAA Cc1ccc(NCc2nc(C3CC3)no2)cc1OCC1CCOCC1 152032662 YSNXKZFACQGYDS-UHFFFAOYSA-N 343.427 3.673 0 50 EHAA O=S(=O)(CC1CCCCC1)N1CCCC[C@@H]1c1nccs1 175380821 BBQHEZYGAQBABP-CQSZACIVSA-N 328.503 3.580 0 50 EHAA CCn1c(C)cc(C(=O)N2CCSC[C@@H]2c2nccs2)c1C 184152945 ILZHGCHJMUTWCX-CQSZACIVSA-N 335.498 3.512 0 50 EHAA CC(C)c1[nH]ncc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 193376496 LMFXJLXUYOCAFN-UHFFFAOYSA-N 334.423 3.944 0 50 EHAA CC(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)ccc1C 194318806 ODFUDGIELUAWGG-ACJLOTCBSA-N 343.448 3.861 0 50 EHAA Cc1cnc(C(=O)Nc2cc(F)c(Br)cc2Cl)cn1 241231059 KRPRPLFBDNHKIA-UHFFFAOYSA-N 344.571 3.592 0 50 EHAA CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1nc(-c2ccccc2F)no1 244626540 FNOGZCYQBTVTDO-GOSISDBHSA-N 349.365 3.595 0 50 EHAA COc1ccc(NC(=O)CN2CC[C@H]2c2ccc(F)cc2)cc1Cl 244724307 MRPYDOABSVTCHP-INIZCTEOSA-N 348.805 3.873 0 50 EHAA CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CCC[C@@H](N(C)C)CC2)cc1 252483034 DSVXHNICVMZXMD-QFBILLFUSA-N 344.499 3.572 0 50 EHAA O=C(c1cccc(O)n1)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 253536268 OOMYKANZNDLXBW-UHFFFAOYSA-N 337.206 3.899 0 50 EHAA Cc1ccc(C)c(OC[C@@H](O)CN2CCC[C@H]2c2ccc[nH]2)c1C 255121493 RXOJAGVGDGOZCZ-HKUYNNGSSA-N 328.456 3.517 0 50 EHAA COc1ccccc1OCCC(=O)N1CCC[C@H]1c1ccc(C)o1 265317374 ZYVAXYSLJFQAJS-HNNXBMFYSA-N 329.396 3.729 0 50 EHAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1ccccc1OC1CCCC1)CC2 299764524 IQJCYTNUUDBLED-DZFGPLHGSA-N 345.483 3.512 0 50 EHAA Cc1c(NC(=O)N(Cc2nccn2C)C2CC2)cccc1-n1cccc1 299778158 OMXAOHXTWGURJR-UHFFFAOYSA-N 349.438 3.716 0 50 EHAA Cc1nn(C)c(C)c1C(=O)N(CC1CCCCC1)c1ccccn1 329774666 MKSYYJAJTZJBDW-UHFFFAOYSA-N 326.444 3.659 0 50 EHAA C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCCc2occc2C1 344294304 UAWCXKKNWNHXQD-CYBMUJFWSA-N 348.393 3.526 0 50 EHAA Cc1cc(COc2ccc(C(F)(F)F)nc2Br)no1 408514107 CAKPUAZBLZBRII-UHFFFAOYSA-N 337.095 3.738 0 50 EHAA Cc1ncsc1CCCNC(=O)N1CC[C@H]1c1ccc(F)cc1 426588865 FGOAKGCQUNPQAB-HNNXBMFYSA-N 333.432 3.680 0 50 EHAA Cc1ccc(-c2cc(C(=O)Nc3ccc4oc(O)nc4c3)n[nH]2)cc1C 435921026 BPUMUXFAHDNEKK-UHFFFAOYSA-N 348.362 3.793 0 50 EHAA CC1(C)C[C@@H](CNCc2ccccc2OCc2ccccn2)CCO1 453586448 UZNUQFCIXSGNPR-KRWDZBQOSA-N 340.467 3.955 0 50 EHAA CO[C@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3Cl)o2)C1 584889963 BTEATKXJKZLDMA-AWEZNQCLSA-N 348.830 3.920 0 50 EHAA Cc1cc(CC(=O)NCC[C@H](c2ccc(F)cc2)c2ccco2)on1 670455279 AQADULLCDGFUSX-QGZVFWFLSA-N 342.370 3.596 0 50 EHAA COc1cccc(C(=O)Nc2cccc(CN3CCCC3)c2)c1F 824795507 NBCFRCJJPFANNJ-UHFFFAOYSA-N 328.387 3.682 0 50 EHAA Cc1c[nH]ccc1=NC(=O)N(Cc1nc2ccccc2s1)C1CC1 930620238 GCGMACGYXVJZDQ-UHFFFAOYSA-N 338.436 3.618 0 50 EHAA Cc1ccc(-c2cccc(CN3CCN(CC(F)(F)F)CC3)c2)o1 952870141 VZMGXCSYHCJLKN-UHFFFAOYSA-N 338.373 3.935 0 50 EHAA Clc1ccc(OCCN2CCC[C@@H](OCc3ccccn3)C2)cc1 1704278385 WILFKTGLKKNXNX-LJQANCHMSA-N 346.858 3.795 0 50 EHAA CC1CCC(n2cc([C@@H](NCc3cc[nH]n3)C(F)(F)F)cn2)CC1 1875273059 CNLBOVAZZVIVDG-WDIPEOLASA-N 341.381 3.751 0 50 EHAA Cc1nc([C@H]2CCCN2Cc2ncc(-c3ccc(Cl)cc3)o2)n[nH]1 1875276484 PFAOTTHCZKZWDT-CQSZACIVSA-N 343.818 3.759 0 50 EHAA O=C(Cc1ccc(O)cn1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 1875293073 BGTCMYFTYYASCE-XUVXKRRUSA-N 336.435 3.515 0 50 EHAA Cc1nccn1-c1ccc(NC(=O)c2cc(F)cc3cnccc23)cn1 1875342230 FQWDXXPEUSZHBU-UHFFFAOYSA-N 347.353 3.515 0 50 EHAA O=C(Nc1cccc2ncccc12)c1ccccc1-c1cncnc1 2325735845 MWSNBRJEXJOCGH-UHFFFAOYSA-N 326.359 3.944 0 50 EHAA Clc1ccc(N2CC[C@H](CNCc3ccnc4[nH]ccc34)C2)cc1 2325857311 WYVNDEHJEDLCFV-CQSZACIVSA-N 340.858 3.832 0 50 EHAA COc1c(N2CCC3(CC2)OCCc2sccc23)ccnc1C 2356161334 QFBNDPVFIGZWOC-UHFFFAOYSA-N 330.453 3.529 0 50 EHAA COc1ccc2c(c1OC)C(=O)N(c1cccc(C(F)(F)F)c1)C2 510057 HTFBLOHXXKKPEG-UHFFFAOYSA-N 337.297 3.883 0 50 EHAA O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccc(Br)cc1 620568 WXKUKRBZQCIHLW-HNNXBMFYSA-N 331.165 3.934 0 50 EHAA Cc1ccc2c(Cl)c(C(=O)NCCCn3ccnc3)sc2c1 2086051 SPPOJDUVCYOHJP-UHFFFAOYSA-N 333.844 3.880 0 50 EHAA O=C(O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 4186629 RVHHPVQHQFIGDW-UHFFFAOYSA-N 348.280 3.948 0 50 EHAA O=C(O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 5234672 VGGNXQBIPPKTJU-UHFFFAOYSA-N 330.723 3.577 0 50 EHAA Cc1cccc(NC(=O)N2CCN(c3ccccc3F)CC2)c1C 6714857 YXLOICWVXMFXBV-UHFFFAOYSA-N 327.403 3.797 0 50 EHAA Cc1c(C(=O)NCCc2nc3ccccc3[nH]2)oc2c(F)cccc12 11663884 MWYNMSWVPXMZEF-UHFFFAOYSA-N 337.354 3.729 0 50 EHAA O=C(CSc1ccc2ccccc2n1)Nc1ccc(C(=O)O)cc1 11667546 HJAAZBMVKNPCOU-UHFFFAOYSA-N 338.388 3.664 0 50 EHAA CC(C)CCN(C)C(=O)c1coc(COc2cccc(F)c2F)n1 11708915 UJPOAMKOIWEWCS-UHFFFAOYSA-N 338.354 3.650 0 50 EHAA Cc1ccc(NC(=O)c2nnn(-c3ccc(C(C)C)cc3)c2N)cc1 16652474 YUIAFXPKPRMBBF-UHFFFAOYSA-N 335.411 3.534 0 50 EHAA N=c1n(Cc2ccccc2)c2ccccc2n1C[C@H](O)c1cccs1 19771394 FUSMUZNHMXYEGC-SFHVURJKSA-N 349.459 3.766 0 50 EHAA COc1cccc(-c2ccc(N)nc2)c1C(=O)N(C(C)C)C(C)C 32520302 RMOGOOZXYBLFPL-UHFFFAOYSA-N 327.428 3.598 0 50 EHAA Cc1ccccc1C[C@]1(CO)CCCN(c2ncncc2C(C)C)C1 67459094 VTEMKXVVYCYQBL-OAQYLSRUSA-N 339.483 3.730 0 50 EHAA CCc1cc(CN2CCC(c3n[nH]cc3Cc3ccccc3)CC2)[nH]n1 67727258 NEFWSDSZINEAFO-UHFFFAOYSA-N 349.482 3.666 0 50 EHAA CSCc1ccc(N2CCC([C@H](O)Cc3ccccc3)CC2)nc1 82157338 OUXGEPCBVSCIBC-LJQANCHMSA-N 342.508 3.765 0 50 EHAA COc1ccc2c(c1)C=C(CN1CCCC[C@@H]1c1cc(C)on1)CO2 97527376 ONUCZWGADBSWAZ-LJQANCHMSA-N 340.423 3.995 0 50 EHAA Cc1nnc([C@H](C)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)o1 152655387 QQMPODHHCKTDKT-AAEUAGOBSA-N 332.473 3.654 0 50 EHAA Cc1cccc(COc2ccc(NC(=O)C[C@H]3CCCN3)c(C)c2)c1 155661049 MAOKJOVFJRVEEN-GOSISDBHSA-N 338.451 3.963 0 50 EHAA CC[C@H](C)[C@@](C)(O)CN[C@@H](C)c1cc(Cl)c(OC)cc1OC 163860443 UQNJRCRJPUGWQI-PRXAMGSTSA-N 329.868 3.805 0 50 EHAA Cc1ccccc1-c1cc(N(C)CC[S@@](=O)c2ccccc2)n[nH]1 170639806 LMZJUOONUYJNER-XMMPIXPASA-N 339.464 3.629 0 50 EHAA Cc1nn(C)cc1NC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 189691479 GBEZUOLNGOALKX-ZDUSSCGKSA-N 347.488 3.720 0 50 EHAA CCOC(=O)C1CCC(O)(CN[C@@H](C)c2ccc(Cl)s2)CC1 191445476 JFBKRASWHWXNLZ-FZWSLVFFSA-N 345.892 3.537 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)Cc2cnc(N3CCCC3)s2)c1 215194589 QQGCAQLJIVZSKL-HNNXBMFYSA-N 330.501 3.510 0 50 EHAA CCCN(C(=O)c1oc2cc(OC)ccc2c1C)[C@H]1CCCC[C@@H]1O 216171871 KMYZLTQWOLOHMM-IRXDYDNUSA-N 345.439 3.906 0 50 EHAA C[C@H](NC(=O)N1CCC[C@H]([C@H](C)O)C1)c1ccc(Cl)c(Cl)c1 221942522 MNVQNMNXXMBWNE-GVXVVHGQSA-N 345.270 3.857 0 50 EHAA Fc1ccccc1[C@H](NCCCCn1ccnn1)[C@H]1C[C@H]2CC[C@H]1C2 225411752 GTGVHSZLVLGWGF-DUPRYPCISA-N 342.462 3.965 0 50 EHAA O=C1CCc2ccc(OCCOc3ccc(F)cc3Cl)cc2N1 225493903 YBRZMBIOLZJCLZ-UHFFFAOYSA-N 335.762 3.822 0 50 EHAA Cc1c(C(=O)N2CCCCC[C@@H]2C(C)C)nnn1CC1CCCC1 252485803 HESXMRZUNQXZEM-QGZVFWFLSA-N 332.492 3.818 0 50 EHAA C[C@@H]1[C@H](OC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C[C@H]2C[C@H]1C2(C)C 252517548 LGQDRBDOQFLUIS-CQJMVSDSSA-N 335.488 3.637 0 50 EHAA Cc1nc([C@H]2CCCN2C(=O)Nc2cn(C)nc2C(C)C)cs1 253428421 AMLOZDLOXKDXPY-CQSZACIVSA-N 333.461 3.677 0 50 EHAA COc1cc(C)c(NC(=O)N2C[C@H](OC)Cc3ccccc32)cc1F 298097367 NFJRXGFVMJRMDY-CQSZACIVSA-N 344.386 3.752 0 50 EHAA CNC[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 299740285 YAALBHFNTPNSRO-OAHLLOKOSA-N 342.414 3.690 0 50 EHAA CCOC[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2)nc1 299761244 YBMURZGQNAKDQY-INIZCTEOSA-N 341.411 3.907 0 50 EHAA CCN(CC)[C@@H]1CCN(C(=O)Nc2ccc(-c3ccco3)cc2)C1 299790845 BTPLQSBXZJEPQR-QGZVFWFLSA-N 327.428 3.895 0 50 EHAA O=C(O)c1ccccc1C1CCN(C(=O)c2ccc(F)cc2)CC1 372644692 YDKRQZLDJUNOLU-UHFFFAOYSA-N 327.355 3.544 0 50 EHAA Cc1cc(C)cc(CNC(=O)N(Cc2ccccc2)C[C@@H](C)CO)c1 426632885 OBPQGVBMHBCVHZ-GOSISDBHSA-N 340.467 3.644 0 50 EHAA O=C(Nc1ccc(F)cn1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 455100471 NZEPICWEIAWSLJ-CQSZACIVSA-N 335.766 3.559 0 50 EHAA CCCC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2F)cc1OC 822752116 NATUYFDAHJPYPE-UHFFFAOYSA-N 348.349 3.964 0 50 EHAA Cc1cc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)sc1C 886550501 CYBOVRTVDPVLIM-UHFFFAOYSA-N 339.420 3.655 0 50 EHAA O=C(O)c1sccc1CN1CCC(c2nc3c(s2)CCC3)CC1 903915938 GBGOJJGTXBNOSD-UHFFFAOYSA-N 348.493 3.771 0 50 EHAA COc1c(Cl)cccc1-c1noc(CCc2c(C)nn(C)c2C)n1 904181372 LULPPQDQAHLLEQ-UHFFFAOYSA-N 346.818 3.534 0 50 EHAA O=C(c1ccc(Cc2ccccc2)[nH]1)N1CCCC[C@H]1c1ncc[nH]1 931228271 UNJFEKOQGXCFAO-SFHVURJKSA-N 334.423 3.696 0 50 EHAA O=C(Nc1ccc(OC(F)F)cn1)N1CCC[C@H]1c1ccc(O)cc1 931529649 NEVITTMARMKZRL-AWEZNQCLSA-N 349.337 3.758 0 50 EHAA Cc1noc(-c2ccnc(NCCCCN3CCCCCC3)c2)n1 1529185560 NQCDDYDVZAXWGQ-UHFFFAOYSA-N 329.448 3.508 0 50 EHAA Cn1cncc1CN(CCO)Cc1ccc(C2CCCCC2)s1 1704307581 AQBQSBSFMRFDRU-UHFFFAOYSA-N 333.501 3.524 0 50 EHAA CCn1c(=O)c(NCc2cc(-c3ccccc3)on2)nc2ccccc21 1875279463 JVNPLPIXYGKCPE-UHFFFAOYSA-N 346.390 3.684 0 50 EHAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(Cc3ccccc3)C3CCC3)n[nH]c21 1875296093 YOCLJCOFYCTNPZ-KGLIPLIRSA-N 339.439 3.627 0 50 EHAA Cc1ccc([C@]23C[C@H]2CN(C(=O)c2cc4c(C)cccn4c2)C3)cc1 1875405858 QBDULXIHRGBSAP-SIKLNZKXSA-N 330.431 3.970 0 50 EHAA O=S(=O)(Nc1ccc(Br)cc1)c1ccc(Cl)cc1 186318 MHCWIXMBTKALBR-UHFFFAOYSA-N 346.633 3.903 0 50 EHAA O=S(=O)(NCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 461228 FIQMGJHTAJCFTB-UHFFFAOYSA-N 334.199 3.611 0 50 EHAA COc1ccc(-c2noc(CN(C(=O)C(C)(C)C)C(C)C)n2)cc1 1069463 AHRIGIJMRXJQEF-UHFFFAOYSA-N 331.416 3.528 0 50 EHAA COc1cc(Br)c(C(=O)O)cc1OCc1ccccc1 2509489 FBTDEMXQQIWHKX-UHFFFAOYSA-N 337.169 3.735 0 50 EHAA in-vitro Cc1ccc(-c2noc(CNC(=O)c3cccc(Cl)c3)n2)cc1 4843303 ZFNSCUYLICOMOB-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1ccncc1 4998938 CDKKSHZLVHCOMC-UHFFFAOYSA-N 345.613 3.737 0 50 EHAA CN(Cc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 11759326 RDDKLMMJIFLMRD-JLVIMGNISA-N 334.463 3.823 0 50 EHAA CCc1ccc([C@@H]2C[C@H](c3cccc(OC)c3)n3nc(N)nc3N2)cc1 13131307 IIALCKIGVJGAKS-ZWKOTPCHSA-N 349.438 3.578 0 50 EHAA CC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 39778404 YQSADVVFFDZPHI-UHFFFAOYSA-N 339.391 3.636 0 50 EHAA in-vitro COC[C@H](c1ccccn1)N(C)C(=O)CC12CC3CC(CC(C3)C1)C2 55405084 MGBCOHBIQIZMTI-WRUMOOJNSA-N 342.483 3.834 0 50 EHAA C[C@@H](NCCC(=O)Nc1cccnc1)c1ccccc1C(F)(F)F 65403929 CSAOQXUCTJVVMF-GFCCVEGCSA-N 337.345 3.780 0 50 EHAA O[C@H]1Cc2ccccc2[C@H]1n1cc(-c2ccccc2-c2ccco2)nn1 91649709 NASSSOYWVWOZIM-PZJWPPBQSA-N 343.386 3.712 0 50 EHAA C[C@H](c1ccccc1)n1nccc1NC(=O)N(C)C1CCSCC1 95499789 MTUQSZWNWHCCNJ-CQSZACIVSA-N 344.484 3.852 0 50 EHAA Cc1ccc2nc([C@@H](C)Nc3nccc(-c4ccccn4)n3)[nH]c2c1 96141362 YXXMSMXLVFWASN-CYBMUJFWSA-N 330.395 3.896 0 50 EHAA Cc1nccn1[C@@H](C)Cc1nc(C2CCCC2)nn1CC(F)(F)F 96161310 HKINDSOYZMJYQL-NSHDSACASA-N 341.381 3.807 0 50 EHAA Nc1ccccc1S[C@@H]1CC(=O)N(c2cccc3ccccc23)C1=O 100396719 XVYMUAJOBRYQFJ-GOSISDBHSA-N 348.427 3.846 0 50 EHAA Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)Cc2ccc(O)cc2)cc1 134048563 QXJUUFIGEYBVCW-WIYYLYMNSA-N 339.435 3.527 0 50 EHAA CO[C@@H](CNC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccccc1 170626921 QZUHXEDBNUSKDI-AZUAARDMSA-N 328.456 3.906 0 50 EHAA Cc1ccc2oc(C(=O)N3C[C@H](c4ccccc4)OC[C@H]3C)cc2n1 171499900 VIXQIFVDBSJJHJ-AUUYWEPGSA-N 336.391 3.738 0 50 EHAA CCCn1cc(N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)cn1 186326276 IVOXTFNFACLRGV-LBPRGKRZSA-N 329.379 3.964 0 50 EHAA CCCOc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1C 230516333 UOWAPPOADHVPNF-UHFFFAOYSA-N 325.474 3.737 0 50 EHAA O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@@H]1C[C@H]1c1ccco1 242305026 YUDDPXQIYMTIKQ-XYVMCAHJSA-N 329.371 3.559 0 50 EHAA COc1cc(NC(=S)N2CCCCCC2)c(OC)cc1Cl 243996906 SGAAHQSPNKDOOO-UHFFFAOYSA-N 328.865 3.930 0 50 EHAA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)CC2=CCCCC2)CC1 276104989 WQSKHYRKBBUTIC-HXUWFJFHSA-N 341.499 3.785 0 50 EHAA CC(C)n1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)n1 280662546 DJZQAAVTIITFKR-UONOGXRCSA-N 348.472 3.646 0 50 EHAA CSCc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)o1 299755551 FMUJXUQXLXBHOS-UHFFFAOYSA-N 330.453 3.541 0 50 EHAA Cc1ccccc1-c1cc2c(c(OC[C@H]3CCOC3)c1)OCCNC2 299757009 GNEPHCJJYFFPCI-INIZCTEOSA-N 339.435 3.559 0 50 EHAA O=C(CCC(F)(F)F)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 299778449 QKFMCIJNJBQNLM-AWEZNQCLSA-N 348.796 3.936 0 50 EHAA O=C(c1ccccc1C(F)(F)F)N1CCCN(CC2CCC2)CC1 339204476 MPMGCDLDRLNAEK-UHFFFAOYSA-N 340.389 3.653 0 50 EHAA FC(F)(F)c1csc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)n1 377767038 LXAXLVBDHYIKIE-GWCFXTLKSA-N 332.391 3.695 0 50 EHAA O=C(NCc1nccc(C(F)F)n1)N[C@H]1CCCC12CCCCC2 664909743 UHHIDAPJRMGTCY-ZDUSSCGKSA-N 338.402 3.716 0 50 EHAA O=C(Cc1ccc2c[nH]nc2c1)N[C@@H]1CC[C@@H](c2ccccc2F)C1 885828197 YYBLWFHJPKSWQA-GDBMZVCRSA-N 337.398 3.697 0 50 EHAA C[C@@H](NC(=O)C(C)(C)c1cccnc1)c1cc(Cl)cc2c1OCC2 886694746 CKTUEHJWTMRJCZ-GFCCVEGCSA-N 344.842 3.825 0 50 EHAA O=C(c1ncoc1-c1ccon1)N(Cc1cccc(F)c1)C1CCC1 906249225 NGDIBJUTGXTCKU-UHFFFAOYSA-N 341.342 3.664 0 50 EHAA Cc1cc(=O)oc2cc(N(C)Cc3nc(C(C)C)ns3)ccc12 930479322 HTJBPWISBVWAKO-UHFFFAOYSA-N 329.425 3.713 0 50 EHAA Cc1ccc(N2CCC(NCc3cc(C(C)(C)C)n[nH]3)CC2)cc1 1506396906 XGDUDMXQRGKUBK-UHFFFAOYSA-N 326.488 3.774 0 50 EHAA CCOc1ccc(C(=O)Nc2nnc([C@H](C)OC)s2)cc1Cl 1529179842 FGOJIEWXAGDAKE-QMMMGPOBSA-N 341.820 3.550 0 50 EHAA O=C(Nc1cccc(OCc2ccncc2)c1)[C@H]1C[C@@H](OC(F)F)C1 2325766222 CMKFLZJEHHRRHG-AKAXFMLLSA-N 348.349 3.617 0 50 EHAA COc1ccc(-c2cc(Cl)cc(Cl)c2)cc1Cc1nn[nH]n1 2325770735 CLENSIDWCMRCNZ-UHFFFAOYSA-N 335.194 3.773 0 50 EHAA OCc1nn(CCc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 2325821392 LIYHMXPWLYCUJT-UHFFFAOYSA-N 347.340 3.699 0 50 EHAA C[C@H](CC1CCCCC1)NC(=O)c1nnc2c(F)cccc2c1O 2325842428 XTTPAKQRRCDURR-LLVKDONJSA-N 331.391 3.563 0 50 EHAA Cn1nc(CN2CC[C@H](c3ccc(F)c(F)c3)C2)cc1-c1ccco1 2325856204 FUEXMSNTFJLXMR-AWEZNQCLSA-N 343.377 3.948 0 50 EHAA COc1ccc2ccc(N3CC[C@@H](Oc4ccnc(C)c4)C3)nc2c1 2325856866 GPRJGIQGYQUERA-GOSISDBHSA-N 335.407 3.605 0 50 EHAA O=C(OCC(=O)c1ccco1)c1cc(-c2ccc3ccccc3c2)[nH]n1 2325873842 WDIWLZJVSIUTNF-UHFFFAOYSA-N 346.342 3.863 0 50 EHAA Cc1cc(C)c([N+](=O)[O-])c(C)c1C1=C(C#N)C(N)=C(C#N)C2=CCC[C@H]21 42517 CCBWGUIVMUSUQE-CQSZACIVSA-N 346.390 3.884 0 50 EHAA COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccccc1F 360100 NMUOQTSDKPOCLX-KRWDZBQOSA-N 345.414 3.682 0 50 EHAA COc1ccc(C)cc1NS(=O)(=O)c1cccc2ccccc12 477212 SDFDNBCYVHOOAL-UHFFFAOYSA-N 327.405 3.958 0 50 EHAA O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCCC1 2778045 QYEZLEGTDYIBPW-UHFFFAOYSA-N 349.784 3.882 0 50 EHAA Cc1onc(-c2ccccc2Cl)c1C(=O)N1C[C@@H](C)O[C@H](C)C1 4011275 TVTRXQKNMOSKHX-GHMZBOCLSA-N 334.803 3.553 0 50 EHAA COc1ccc2nc(SCC(=O)Nc3cccc(C)c3)[nH]c2c1 4019539 QCUWPEMSLPUGFG-UHFFFAOYSA-N 327.409 3.611 0 50 EHAA CC[C@@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccccc2F)N1 4722196 VAQVKRCFHSPLML-MRXNPFEDSA-N 335.835 3.941 0 50 EHAA CSc1ncc(Cl)c(C(=O)Oc2cccc3ccc(C)nc23)n1 6669743 GAWTYINACIZGFB-UHFFFAOYSA-N 345.811 3.928 0 50 EHAA Cc1cccc(C)c1OCC(=O)Nc1cccc(NC(=O)C(C)C)c1 9231668 ZOKOYNCKGGILMH-UHFFFAOYSA-N 340.423 3.915 0 50 EHAA CCOc1cccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1 10469528 JDBPNZRSNAGOQQ-LJQANCHMSA-N 341.407 3.895 0 50 EHAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NCc1ccco1 11874658 FKPMGYOFBBXTLX-OAHLLOKOSA-N 328.460 3.999 0 50 EHAA CCc1ccc(CN2CCC[C@@](CO)(Cc3cccc(OC)c3)C2)o1 12440485 DLDVWXNHJYCVIT-OAQYLSRUSA-N 343.467 3.668 0 50 EHAA CC(C)C(=O)N[C@@H](N(C)Cc1ccccc1)C(Cl)(Cl)Cl 19316206 XAZISZIZVDIHFU-ZDUSSCGKSA-N 337.678 3.587 0 50 EHAA S=C(NCCc1c[nH]cn1)Nc1ccc(Oc2ccccc2)cc1 32523697 GFLRJYIWXNYJOU-UHFFFAOYSA-N 338.436 3.731 0 50 EHAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C(C)C)on2)cc1C 33270305 HNZRTLKLERJADP-KRWDZBQOSA-N 348.468 3.941 0 50 EHAA COc1ccc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c(C)c1 33321049 GBMPGRZNDBHCLH-UHFFFAOYSA-N 347.724 3.662 0 50 EHAA CCOc1ccccc1N1CCN(Cc2c(F)cccc2F)CC1 55291938 JSJKAUAJRSZKPL-UHFFFAOYSA-N 332.394 3.686 0 50 EHAA Fc1ccc(N2CCN(Cc3cccc(Br)c3)CC2)cc1 55543740 YYKZWDOVFIIHSY-UHFFFAOYSA-N 349.247 3.910 0 50 EHAA Cc1cc2c(cc1O)NC(=O)C[C@H]2c1nn(C)c2cccc(Cl)c12 65455546 CMEYSBXCSFBHDR-LLVKDONJSA-N 341.798 3.715 0 50 EHAA Cc1ccnc(N2CCOc3c(O)cc(-c4ccccc4C)cc3C2)n1 67726456 CBOCYAODKFMZDW-UHFFFAOYSA-N 347.418 3.865 0 50 EHAA Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1 67894714 GBVWCHQKNDOWIS-INIZCTEOSA-N 335.407 3.998 0 50 EHAA Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71753063 MUKIPNRRUVRLNW-AWEZNQCLSA-N 349.837 3.698 0 50 EHAA Cc1cccc(C)c1OC1CN(Cc2cnc(-c3ccco3)nc2)C1 72152228 FDSIUNVIBNTCPI-UHFFFAOYSA-N 335.407 3.617 0 50 EHAA COc1cc([C@@H](C)Nc2cc(C3CC3)ncn2)cc(OC)c1OC 91526238 CCNRHUXHAJKIOY-LLVKDONJSA-N 329.400 3.553 0 50 EHAA CC[C@]1(CO)CCCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 92097495 PJCBBQXGUOFGJX-IBGZPJMESA-N 345.874 3.782 0 50 EHAA Cc1cc2cc(NC(=O)N3CCC[C@H](c4ccncn4)C3)ccc2o1 96131883 KCRPEBRKBMVGAI-AWEZNQCLSA-N 336.395 3.943 0 50 EHAA CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc(C(C)=O)c1C 102607567 JXGYABLSUPRAQA-AVGNSLFASA-N 349.452 3.811 0 50 EHAA Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccc(F)cc1C(F)(F)F 127042191 AYDNQGGDBBTVKN-MRVPVSSYSA-N 344.308 3.810 0 50 EHAA CCOC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 128942679 UYXCXQGEHUDBBP-UHFFFAOYSA-N 333.428 3.518 0 50 EHAA Cc1cc(C)cc([C@H](O)CN(C)Cc2nc(-c3ccccc3)c[nH]2)c1 133633569 YWOWIGCREZUXFW-HXUWFJFHSA-N 335.451 3.859 0 50 EHAA Cc1nnc([C@@H](C)N2CCC[C@H](COc3ccccc3Cl)C2)o1 157042475 AMBUDGJKUAXCDO-OCCSQVGLSA-N 335.835 3.883 0 50 EHAA Cc1ncc(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)c(C)n1 182228679 VJONSCLXWAGKCQ-GFCCVEGCSA-N 332.473 3.815 0 50 EHAA Cc1nc(C)c(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 182845839 AZLPBRGSSQTWQE-GFCCVEGCSA-N 344.406 3.812 0 50 EHAA Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NCCCCO 192949541 FMSBQAMTBCCTQO-UHFFFAOYSA-N 348.446 3.641 0 50 EHAA O=C(CCc1cscn1)Nc1ccccc1OC[C@H]1CCCCO1 195320550 VCVVIKDGPRFMMG-OAHLLOKOSA-N 346.452 3.662 0 50 EHAA CSc1ncccc1C(=O)N1CCCC[C@H]1CCc1ccccn1 219071571 MGCQIIKHCAPIMD-INIZCTEOSA-N 341.480 3.826 0 50 EHAA Cc1ccc(C(=O)O)cc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 225444488 AWXUVZUEVBXLIE-UHFFFAOYSA-N 341.411 3.774 0 50 EHAA CC(C)c1nc2n(n1)C[C@H](N[C@H]1C[C@@H](c3ccccc3)C1(C)C)CC2 230283244 SAHDQMYOYITBSI-SQNIBIBYSA-N 338.499 3.888 0 50 EHAA Cc1ccc(-c2ccccc2NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)o1 239439071 ZJSKTJDQFHRUOK-RPLLJCPNSA-N 337.375 3.716 0 50 EHAA C[C@H]1CCCCN1CCC(=O)N[C@H]1CCSc2c(F)cccc21 253404932 GCWDLELVKWRCRG-BBRMVZONSA-N 336.476 3.743 0 50 EHAA Cn1c([C@H]2CCCN2c2nc3cc(F)ccc3o2)nc2c1CCCC2 275767163 XKYVXNRSENEMKY-MRXNPFEDSA-N 340.402 3.921 0 50 EHAA CN1CCC(Oc2ccc(CNCc3cccc4[nH]ccc34)cc2)CC1 284139438 UYFMLQJYWNRDFK-UHFFFAOYSA-N 349.478 3.931 0 50 EHAA C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC2(CCOCC2)CC1 284894606 WMWXNFWZVXRPBY-CQSZACIVSA-N 336.863 3.560 0 50 EHAA Cc1cc(CNC(=O)c2cc(Cc3cccc4ccccc34)no2)on1 299770562 VJGUOPPIAIRXCY-UHFFFAOYSA-N 347.374 3.645 0 50 EHAA CC(C)Cn1cc(NC(=O)C2CCN(C(C)C)CC2)c(C(F)F)n1 330515900 VXPKUXYHWVIBLA-UHFFFAOYSA-N 342.434 3.536 0 50 EHAA O[C@H]([C@H]1CCCN1Cc1ccccc1C(F)(F)F)C(F)(F)F 352028927 QPBVHRXKGVFFNT-VXGBXAGGSA-N 327.268 3.593 0 50 EHAA Cc1cc(-c2ncco2)ccc1NC(=O)CCNC(=O)OC(C)(C)C 408517219 CTRSJEFPGXHAHJ-UHFFFAOYSA-N 345.399 3.503 0 50 EHAA COCC1(CNC(=O)c2ccc(-c3ccc(F)cn3)cc2)CCCC1 426510911 XXFDHHMBHVXQFP-UHFFFAOYSA-N 342.414 3.824 0 50 EHAA CC(=O)N[C@H](C)c1ccc(-c2cccc(C(=O)NCC3CC3)c2)cc1 426574995 JUXLTODTVGHAJD-CQSZACIVSA-N 336.435 3.691 0 50 EHAA CCOc1ccc(Cl)cc1CN(C)C(=O)c1ccc(CCN)cc1 534661231 PQUIJGGILIAZLF-UHFFFAOYSA-N 346.858 3.512 0 50 EHAA Cc1nn(C)c(C)c1[C@@H](C)c1nc(-c2ccc(C(F)F)nc2)no1 664957857 IZFDZMBYPINXEV-MRVPVSSYSA-N 333.342 3.571 0 50 EHAA O=C(Nc1ccccc1OC[C@@H]1CCCO1)c1ccncc1Cl 828193983 XXKPZILRZJTFND-LBPRGKRZSA-N 332.787 3.545 0 50 EHAA Cn1nc(C(=O)N[C@@H](CC(C)(C)C)c2cccnc2)c2ccccc21 828219334 GNDKDZNWVIFDOZ-INIZCTEOSA-N 336.439 3.876 0 50 EHAA O=C(Nc1ccc([C@H](F)C(F)(F)F)cc1)N[C@@H]1C[C@H]2CC[C@@H]1O2 881156629 AOYHYJKOYYIOIR-NDBYEHHHSA-N 332.297 3.701 0 50 EHAA Cc1c(Br)cncc1NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1 888901154 ZMJICQIEQSJNIT-QWHCGFSZSA-N 347.212 3.600 0 50 EHAA Cc1cccc([C@H](C)NC(=O)NC[C@]23C[C@H]2COC32CCC2)c1C 893053967 BPFGPXALJVNMOH-TXPKVOOTSA-N 328.456 3.623 0 50 EHAA O=C(Nc1ccsc1)N1Cc2ccccc2OC2(CCOCC2)C1 930337737 DVVOXWUEGJRPTJ-UHFFFAOYSA-N 344.436 3.724 0 50 EHAA CCc1nnc([C@H]2CCCN(Cc3ccn(C4CCCC4)n3)[C@H]2C)o1 952852619 HYRRDIIUEHXWAH-YOEHRIQHSA-N 343.475 3.712 0 50 EHAA C[C@H](NC(=O)CCN1CCCCCC1=O)c1ccc2c(c1)CCCC2 952988145 BKUVESGEAIIAEL-INIZCTEOSA-N 342.483 3.535 0 50 EHAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)[C@]1(C)CCCO1 952989136 VGFMRUDEKBFAPS-IBGZPJMESA-N 330.428 3.631 0 50 EHAA Cc1ccccc1-c1ncc(CN(C)CCN(C)C2CCCC2)cn1 1506420239 ZFLYEGFFVWAKEA-UHFFFAOYSA-N 338.499 3.758 0 50 EHAA CCn1ncc(C)c1NC(=O)C1(c2ccc(OC)cc2)CCCC1 1529100288 QALVMMXTVGWCFH-UHFFFAOYSA-N 327.428 3.671 0 50 EHAA CCCn1nc(C)cc1NC(=O)c1ccc(CCC(C)(C)O)cc1 1529197308 OEKVUVWDYBSVIO-UHFFFAOYSA-N 329.444 3.557 0 50 EHAA CC(C)(C)SCc1nnc2sc(-c3ccc4c(c3)OCO4)nn12 1772491179 VARXWQZWCNZGRQ-UHFFFAOYSA-N 348.453 3.613 0 50 EHAA COc1ccc(-c2ocnc2C(=O)NC[C@H]2CC[C@@H]3CCC[C@@H]32)cc1 1857674968 FTWFNCXGNAQLTA-LXZKKBNFSA-N 340.423 3.906 0 50 EHAA O[C@H](c1ccccc1)C1CCN(Cc2ncoc2C2CCC2)CC1 1875275308 TWIKRLFCLXRSMF-LJQANCHMSA-N 326.440 3.888 0 50 EHAA O=C(Nc1cnc2c(c1)CCC2)N1CCO[C@H](c2ccccc2)CC1 1875277479 NMTKXICWDKGREB-IBGZPJMESA-N 337.423 3.566 0 50 EHAA Fc1cccc2c1OCC[C@@H]2c1nc(Cc2cnc(C3CC3)o2)no1 2325789632 AJPWMVOHWAGAGL-ZDUSSCGKSA-N 341.342 3.579 0 50 EHAA CCOc1ccc(C[C@H](C)CNC(=O)C2CC3(CC[C@H]3OC)C2)cc1 2325806420 SEPUZDBDAWKKJY-CSLHUZTASA-N 345.483 3.585 0 50 EHAA CC[C@H](C)c1ccc(-c2csc(N3CCN(C(C)=O)CC3)n2)cc1 2325866726 XTFPQSQVPJZMHX-AWEZNQCLSA-N 343.496 3.992 0 50 EHAA Cc1nn(-c2ccccc2)cc1CNc1nccc(C(C)(F)F)n1 2325869139 ZXRGBQGXBYUNLP-UHFFFAOYSA-N 329.354 3.695 0 50 EHAA COc1ccc([C@H](C)NC(=O)Nc2ccc(C(C)=O)cc2)cc1OC 609976 GBKJQFLOQNDDAN-LBPRGKRZSA-N 342.395 3.789 0 50 EHAA Cc1cc(C)nc(-n2ncc3c2C[C@H](c2ccccc2C)CC3=O)n1 2231266 UXUICZXIVJZMKE-HNNXBMFYSA-N 332.407 3.500 0 50 EHAA C[C@H]1CCCCN1C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 2777811 NYYUOQLPBBPVDY-JTQLQIEISA-N 334.370 3.559 0 50 EHAA Cc1scc(C(=O)NCCCn2ccnc2)c1-c1ccccc1 2872790 NMPVMZFJJRWWQR-UHFFFAOYSA-N 325.437 3.740 0 50 EHAA CCCOc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 4910114 JSSULCITGWCUEO-CQSZACIVSA-N 325.364 3.678 0 50 EHAA CC(C)(C)c1ccc(Cn2c(S(=O)(=O)O)nc3ccccc32)cc1 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EHAA O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)c2ccccc2)o1 32593695 LCYSBWFYJGOSQN-UHFFFAOYSA-N 345.351 3.504 0 50 EHAA CC(C)(C)OC(=O)n1c(Br)ccc1Br 38243507 NTGSPDLQYRAXAK-UHFFFAOYSA-N 325.000 3.796 0 50 EHAA O=C(c1ccc2[nH]cnc2c1)N(Cc1ccccc1)Cc1nccs1 55369831 UKACOYVGQAJNMH-UHFFFAOYSA-N 348.431 3.862 0 50 EHAA CCCO[C@H]1CCCN(Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 67722926 YEVXJZMEMCRYOG-INIZCTEOSA-N 334.847 3.573 0 50 EHAA O=C(Cc1cn2ccsc2n1)N(Cc1ccccc1)CC1CCC1 72030265 SSIKUIZWKIUBON-UHFFFAOYSA-N 339.464 3.767 0 50 EHAA CCc1cc(CN2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)on1 72152638 LHXDQYPWYYAUFY-QGZVFWFLSA-N 328.391 3.980 0 50 EHAA Cc1cc(N2CCC[C@H](c3nc4ccccc4o3)C2)n2nc(C)cc2n1 72428243 WQISYOLMWGCLSJ-HNNXBMFYSA-N 347.422 3.871 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1 72428741 OMTZAWQKVZEOAN-OAHLLOKOSA-N 343.471 3.563 0 50 EHAA Cc1cc(N2CCN(Cc3ncccc3C)CC2)c2ccccc2n1 77469909 HLBPOPWLKHLXQQ-UHFFFAOYSA-N 332.451 3.569 0 50 EHAA CCCOc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)cc2)C1=O 96024005 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337.379 3.619 0 50 EHAA CN(Cc1nc2ccccc2s1)S(=O)(=O)CCCC(C)(C)C 241911276 UBDFDUPKSLQFGC-UHFFFAOYSA-N 340.514 3.884 0 50 EHAA Cn1cncc1[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2Cc2ccccc2)CCO1 275400048 CLRJBYOEJJFQLX-PXCRPINLSA-N 339.483 3.641 0 50 EHAA Cc1cccc(C2(c3noc(Cc4c[nH]c5ncccc45)n3)CC2)c1 289996605 CHIDIANFLPIYRB-UHFFFAOYSA-N 330.391 3.925 0 50 EHAA CSCc1cnc(CNc2ccc3c(c2)CCCC(=O)N3)s1 293388443 WVNKBMACKOFXLB-UHFFFAOYSA-N 333.482 3.893 0 50 EHAA COCC1(C(=O)N2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)CCC1 299790178 BLFLAGSQJOYJCL-OAHLLOKOSA-N 349.858 3.578 0 50 EHAA C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 332476976 LKUGZOFSLQDPBD-KBPBESRZSA-N 345.439 3.599 0 50 EHAA OC[C@@H]1CN(Cc2nc3ccc(F)cc3s2)C[C@H]1c1ccsc1 349016553 ZYQWXNBGBPFCTG-JSGCOSHPSA-N 348.468 3.705 0 50 EHAA Cc1cccc(NC[C@@H]2CCCN2Cc2cc3ccccc3nc2O)n1 374235129 CTPFPPOGAWFGJJ-SFHVURJKSA-N 348.450 3.720 0 50 EHAA Cc1cc(S(=O)(=O)N[C@H](C)Cc2cccs2)c(Cl)cc1F 471790663 HAKYXFRFMDPXTG-SNVBAGLBSA-N 347.864 3.759 0 50 EHAA CCN(Cc1cccc(Br)c1)Cc1ncccc1C(=O)O 652389963 RCNRLBJZTJMYPC-UHFFFAOYSA-N 349.228 3.564 0 50 EHAA CN1CCC(CN[C@@H]2CCN(c3ccccc3)C2)(c2ccccc2)CC1 1506396056 BBCDYTPGUDKDSX-OAQYLSRUSA-N 349.522 3.519 0 50 EHAA COc1cccc(CN(C)Cc2sccc2C)c1O[C@@H](C)C(=O)O 1506408703 OOFCUILMNSCZCF-ZDUSSCGKSA-N 349.452 3.549 0 50 EHAA CC(C)c1ccc(C(=O)N(C)Cc2cccc3cnccc23)c(O)n1 1506425648 QOIRQBWCTZVPCS-UHFFFAOYSA-N 335.407 3.731 0 50 EHAA C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)CCc1cccc(O)c1 1772700321 BRNRJPITWQOMCO-HNNXBMFYSA-N 349.434 3.935 0 50 EHAA Cn1cc([C@H]2CCCCN2C(=O)[C@@H]2CC[C@H]3[C@@H](CC2)C3(F)F)cn1 1875276169 YPRMYWSYCCBXOI-SLBVQIDZSA-N 337.414 3.545 0 50 EHAA CC(C)(C)c1ncc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)o1 1875360132 ZMGXDQHQTZZKSL-UHFFFAOYSA-N 348.346 3.792 0 50 EHAA CC(C)[C@@H](CNC(=O)C(C)(C)C1CCC1)NC(=O)[C@H]1CCCC12CC2 2325794830 SPFOQMGVXDLYFL-IAGOWNOFSA-N 348.531 3.650 0 50 EHAA O=S(=O)(c1ccccc1-c1ccccc1)N1C[C@@H]2C[C@@H]3C[C@H]1[C@@H]2C3 2325870106 KDKPVFWHVVPUKZ-WQCNXYOZSA-N 339.460 3.773 0 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FMPXDVSEPUJQCE-UHFFFAOYSA-N 332.319 3.644 0 50 EHAA Cc1cnc(NCc2cccnc2Oc2c(C)cccc2C)nc1N 67654563 STGBVDFZDUCUAS-UHFFFAOYSA-N 335.411 3.783 0 50 EHAA CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1COc2ccc(C)cc21 252537567 LOQGZEFPLGYEQH-MRXNPFEDSA-N 327.428 3.725 0 50 EHAA C[C@H]1CN(C)c2ccccc2N(Cc2ccc(N3CCCC3)nc2)C1 252508410 XNATWFAMOBEULD-KRWDZBQOSA-N 336.483 3.774 0 50 EHAA Cc1nnc([C@@H](C)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)o1 229685026 OYYIPGNHJSBOHP-CZUORRHYSA-N 337.427 3.709 0 50 EHAA CC[C@H](NC(=O)N1CCC(c2ccnn2C)CC1)c1cccs1 172559881 GGCIIISJWREGEF-AWEZNQCLSA-N 332.473 3.522 0 50 EHAA Cc1ccc(N2CCOCC2)cc1NC(=O)N1CC[C@H](C)C[C@@H](C)C1 253433268 UYIQINGUCDCEIT-JKSUJKDBSA-N 345.487 3.732 0 50 EHAA CCN(CC)C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 36109959 WFSFAZSWTWDLSY-SFHVURJKSA-N 340.423 3.523 0 50 EHAA CC(C)c1cnc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)s1 172672670 YXEIECPCQHOYBZ-UHFFFAOYSA-N 329.425 3.867 0 50 EHAA CC(=O)c1ccc(C(=O)Nc2sccc2C(=O)OC(C)(C)C)o1 362539368 GCQVNECYQWKNPM-UHFFFAOYSA-N 335.381 3.751 0 50 EHAA CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)c1cc(C)oc1C(F)(F)F 331823027 WRSGFUQWJJUBTM-NEPJUHHUSA-N 333.350 3.930 0 50 EHAA CN(C)C(=O)CCc1cccc(NC(=O)c2ccccc2Cl)c1 36565580 WIVHCLDOMOCVPC-UHFFFAOYSA-N 330.815 3.613 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N3CCC(Cn4cccn4)CC3)c2c1 77287105 PUMIVHLTKLOVOU-UHFFFAOYSA-N 348.450 3.601 0 50 EHAA Oc1cccc([C@H]2CN(Cc3ccccc3Br)CCO2)c1 127650033 OORSKYQPEVUHHC-QGZVFWFLSA-N 348.240 3.728 0 50 EHAA CC(C)[C@@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1nccn1C 72479011 FAYWRVMRBOSLCX-LJQANCHMSA-N 346.438 3.939 0 50 EHAA CCCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1C(=O)NC 240333630 FEKZRIKLWPLSQK-INIZCTEOSA-N 331.460 3.505 0 50 EHAA CC(C)c1scnc1NC(=O)Nc1cccc(CCC(=O)O)c1 263053699 NQCVDBULAQXJKE-UHFFFAOYSA-N 333.413 3.928 0 50 EHAA C[C@@H](c1ccccc1)[C@@H](O)CN1CC=C(c2c[nH]c3ncccc23)CC1 450509344 JVPIKYNPRCDDPX-KKSFZXQISA-N 347.462 3.817 0 50 EHAA CC(C)CN(CC(C)C)C(=O)c1ccc(Cn2cc(Cl)cn2)o1 20615779 HCWRZZKMKAJMTB-UHFFFAOYSA-N 337.851 3.932 0 50 EHAA CC[C@H](C(=O)N(C)Cc1nc(-c2ccccc2)cs1)n1cccn1 91724518 HTZAYJQVXDQDTP-MRXNPFEDSA-N 340.452 3.616 0 50 EHAA Cc1nc2c(c(NCc3nccn3C(C)C)n1)Cc1ccccc1OC2 95530203 JLMZHPRNOYBFCX-UHFFFAOYSA-N 349.438 3.658 0 50 EHAA OCc1ccc(C[C@H]2CCN(Cc3cc(-c4ccccc4)no3)C2)cc1 91350779 UYOAJIVQMBKNCJ-LJQANCHMSA-N 348.446 3.899 0 50 EHAA Cc1ccsc1CN(Cc1ccccn1)Cc1noc(C2CC2)n1 252504547 VKDLLHDWBMMHLB-UHFFFAOYSA-N 340.452 3.914 0 50 EHAA Cc1cc(-c2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)cs1 534659653 HDBCCQLRJGTPGJ-UHFFFAOYSA-N 328.481 3.890 0 50 EHAA CCn1nc(C)cc1C(=O)Nc1ncc(Cc2cccc(F)c2)s1 624856882 IJTGRPRHXZESIC-UHFFFAOYSA-N 344.415 3.650 0 50 EHAA CCc1nccn1CCC(=O)N[C@H](CC)C12CC3CC(CC(C3)C1)C2 299777909 ICEQLOOCMSEDPJ-IGDKPHCXSA-N 343.515 3.947 0 50 EHAA Cc1cnc(-n2ncc(C(=O)O)c2C(C)C)nc1-c1ccc(F)cc1 299802185 XXPCMVMZJMSFEG-UHFFFAOYSA-N 340.358 3.598 0 50 EHAA CC[C@@H](C[C@@H](C)O)Nc1nc(-c2ccccn2)nc2sccc12 866304460 YCGSZKRTYUQKBU-NEPJUHHUSA-N 328.441 3.715 0 50 EHAA O=C(NC[C@@H]1C[C@@]12CCOC2)c1cc(-c2ccccn2)ccc1Cl 1875307315 NGCZPSITBWIPOZ-IFXJQAMLSA-N 342.826 3.558 0 50 EHAA COC(C)(C)c1nsc(N2CC3(CCC3)[C@@H]2c2cccnc2)n1 1339823332 JPWRJNMAWVEXNQ-ZDUSSCGKSA-N 330.457 3.546 0 50 EHAA CNc1ncccc1C(=O)N1CC[C@@H](c2cccc(OC)c2)C1(C)C 1353789254 NYKLGXDXBMXZPX-KRWDZBQOSA-N 339.439 3.540 0 50 EHAA C[C@H](C(=O)N1CCC(O)(Cc2cccc(F)c2)CC1)c1cccs1 170083347 KBKOPHUDLGTZRT-AWEZNQCLSA-N 347.455 3.587 0 50 EHAA O[C@H](C[C@@H]1CCCN1Cc1n[nH]c2ccccc12)c1ccc(F)cc1 770327248 LVOYAXXMPRFQLC-OXJNMPFZSA-N 339.414 3.790 0 50 EHAA Cc1c(Br)ccc(NS(=O)(=O)c2ccccc2)c1C 609897 RTZQLOUJNWLJAM-UHFFFAOYSA-N 340.242 3.867 0 50 EHAA CC(C)(C)c1cc(CN2CCC[C@H](C(N)=O)C2)cc(C(C)(C)C)c1O 12381547 XLZSSFDIZGUVAB-HNNXBMFYSA-N 346.515 3.685 0 50 EHAA Cc1ccccc1[C@@H](CC(=O)NCc1nccn1C)c1ccccc1 12444579 ZYFSIPNVTMBRCW-IBGZPJMESA-N 333.435 3.567 0 50 EHAA Cc1nn(C)cc1CN1CCC[C@H](C(=O)c2cccc3ccccc23)C1 12581888 RVTCNQBVZIHZAO-SFHVURJKSA-N 347.462 3.977 0 50 EHAA CCC1=C(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CCCO1 408514435 ACYQQAYPHJZKEF-APWZRJJASA-N 347.430 3.979 0 50 EHAA CC[C@H](OC1CCCC1)C(=O)Nc1cc(Cl)ccc1NC(C)=O 112803250 GQSUSOFUTLDOJH-INIZCTEOSA-N 338.835 3.975 0 50 EHAA CCc1cccc(Cl)c1CN1C[C@@H](C)O[C@@H](c2nnc(C)o2)C1 668650055 SUWPYRBSEJNBIT-BDJLRTHQSA-N 335.835 3.556 0 50 EHAA CCN(C(=O)c1nc(C2CC2)n2ccccc12)[C@@H]1CCOC(C)(C)C1 362326052 UXOVLIBSUFMXNO-OAHLLOKOSA-N 341.455 3.631 0 50 EHAA CCCCc1ccc(CN2CCC3(CC2)C[C@@](C)(O)CCO3)cc1 1704312816 ZUOKHSFZUJAGGD-FQEVSTJZSA-N 331.500 3.925 0 50 EHAA Cc1cnc(C(=O)N2CCC[C@H](c3c[nH]c4ncccc34)C2)c(C)c1 825110913 JPEJCVAJPVKTPD-HNNXBMFYSA-N 334.423 3.595 0 50 EHAA C[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1cnn(Cc2ccccc2)c1 120640861 QRLOCNGCNQMLAB-HNNXBMFYSA-N 344.418 3.904 0 50 EHAA O=C(Nc1ccc(CC(F)(F)F)cc1)N[C@@H]1CCOCC12CCC2 2325769482 IIUCSXLVPRPFNZ-CQSZACIVSA-N 342.361 3.872 0 50 EHAA CCNC(=O)N1CCc2ccc(NCc3c(F)cccc3F)cc21 151711775 BPDAZAIMJDKFIA-UHFFFAOYSA-N 331.366 3.669 0 50 EHAA COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(Cl)cc3)C[C@H]21 64634 ZLHHQNLXXKSDLR-CQSZACIVSA-N 342.782 3.662 0 50 EHAA Cc1ccc(C(=O)N2N=C(C3CCCCC3)C[C@@]2(O)C(F)(F)F)o1 304433 URHGIDFKEZNJQH-OAHLLOKOSA-N 344.333 3.621 0 50 EHAA CC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1 471045 QJSAAELTQCIJGW-UHFFFAOYSA-N 348.358 3.987 0 50 EHAA CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 565353 SROZJDXSNFPGJW-QGZVFWFLSA-N 349.839 3.619 0 50 EHAA COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)[C@H]1CCCO1 1056607 KBQXOIQZLUEAHN-CQSZACIVSA-N 345.420 3.628 0 50 EHAA COc1cccc(C(=O)Nc2cc(C)nn2Cc2ccc(F)cc2)c1 1429814 BAQCFBCUXWSHDA-UHFFFAOYSA-N 339.370 3.640 0 50 EHAA O=c1c2ccccc2nc(SCc2cn3ccccc3n2)n1C1CC1 2802374 NJDWRJCXUDSLLC-UHFFFAOYSA-N 348.431 3.671 0 50 EHAA CCc1ccccc1NC(=O)C[C@@H]1Nc2cc(C)c(C)cc2NC1=O 4115946 ROADWPZZCOBHBZ-SFHVURJKSA-N 337.423 3.627 0 50 EHAA CCOC(=O)c1c(C)nc(Nc2nc3ccccc3s2)nc1C 9014130 CAEFBUAHXSCCGU-UHFFFAOYSA-N 328.397 3.623 0 50 EHAA CC(=O)c1ccc(C(=O)N2CCC[C@H](Nc3cccc(F)c3)C2)cc1 11770411 SVSVQKWGXLPXTN-IBGZPJMESA-N 340.398 3.745 0 50 EHAA Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12459435 NBGMOXFUYFIZNU-MRXNPFEDSA-N 340.398 3.625 0 50 EHAA CCOc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 13331615 DFOHELSODIVTFV-UHFFFAOYSA-N 344.842 3.701 0 50 EHAA Cc1ccc(N2C(=O)C[C@@H](NCc3cccc4ccccc34)C2=O)cc1 22185121 XFQSGMXUPVRKDU-HXUWFJFHSA-N 344.414 3.570 0 50 EHAA Cc1csc(CN(C)[C@H]2CCC(=O)N(CCCC(C)C)CC2)n1 23310578 KYHYWXMQJFJOSM-INIZCTEOSA-N 337.533 3.701 0 50 EHAA CCOc1cccc(CN(Cc2ccccc2C(=O)O)C2CC2)c1 55393622 YKOYEDTZCIKXFN-UHFFFAOYSA-N 325.408 3.948 0 50 EHAA CC(=O)N[C@@H](CC(C)C)c1nc(-c2ccccc2)nn1-c1ccccn1 63857086 UIOCQBVSJYCMCL-KRWDZBQOSA-N 349.438 3.553 0 50 EHAA Cc1cccc2[nH]c([C@@H]3CCCN(Cc4ccccc4C(=O)O)C3)nc12 67690964 AMGAOFIVSUTQTL-MRXNPFEDSA-N 349.434 3.949 0 50 EHAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@@H]2c2nccs2)cc1 72433559 KJWBRKQHLWUENN-MRXNPFEDSA-N 344.480 3.824 0 50 EHAA Cc1ccccc1N1CCCN(C(=O)c2cn(C)c3ccccc23)CC1 82171054 RWWQXGYEXGMEGU-UHFFFAOYSA-N 347.462 3.839 0 50 EHAA Cc1cc(C)c2[nH]c(C(=O)NCCCNc3cccnc3)c(C)c2c1 91320586 GCUJMAHBBHPRIE-UHFFFAOYSA-N 336.439 3.720 0 50 EHAA O=C1N(CC2CC2)CCC[C@]12CCN(Cc1ccc(Cl)s1)C2 92076995 BNKAFTCORKNLEI-QGZVFWFLSA-N 338.904 3.626 0 50 EHAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)Nc2ccc3c(c2)COC3=O)C1 95498382 BHUBAWUVISWVAO-AUUYWEPGSA-N 328.412 3.790 0 50 EHAA Cc1cc(C)n([C@@H](C)CNC(=O)c2ccc3cccc(Cl)c3n2)n1 97088424 XHNAJMYRNSOFHD-ZDUSSCGKSA-N 342.830 3.693 0 50 EHAA Cc1ccc(SCCCN(C)C(=O)c2cnc(C3CC3)nc2)cc1 97474909 BXGFAKTUMRQPAE-UHFFFAOYSA-N 341.480 3.917 0 50 EHAA C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)Cc1c[nH]c2ncccc12 127032263 ADXMPRNRGOVSFJ-BUXKBTBVSA-N 337.398 3.684 0 50 EHAA COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(C)n1 127389080 HSHZDKYLZBWGSA-UHFFFAOYSA-N 343.770 3.959 0 50 EHAA O=C(Cc1ccc(O)cc1)N[C@H](CC(F)(F)F)c1ccc(F)cc1 131000979 PGCTVQQBUWAZMC-OAHLLOKOSA-N 341.304 3.884 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 154989436 NKNPXVSYYPTAOK-BLLLJJGKSA-N 341.455 3.939 0 50 EHAA Cc1nscc1C(=O)N[C@H](c1ccncc1)c1cc(F)ccc1F 170072762 KVLWWIKBWGRCGJ-MRXNPFEDSA-N 345.374 3.644 0 50 EHAA O=C1[C@H](NCc2ccccc2)CCN1c1ccccc1C(F)(F)F 170597909 UIKJCUVXHFBEQS-OAHLLOKOSA-N 334.341 3.601 0 50 EHAA Cc1cccc(C(=O)NCc2ccc([C@H](C)O)cc2)c1Br 179372839 BPAUBYKETYAUIF-LBPRGKRZSA-N 348.240 3.741 0 50 EHAA Cn1cc([C@@H](NCC2=Cc3ccccc3OC2)c2ccc(F)cc2)cn1 187520228 JSVKUHBTADZDHK-NRFANRHFSA-N 349.409 3.714 0 50 EHAA Cc1cccc2[nH]cc(CCNC(=O)c3cccnc3C(F)(F)F)c12 188375602 IUFGOYCZTIYFDS-UHFFFAOYSA-N 347.340 3.863 0 50 EHAA COc1ccc(F)c(F)c1CN(Cc1ccncc1)C[C@H]1CCCO1 215937095 TUHRCIPSQVIGJV-OAHLLOKOSA-N 348.393 3.550 0 50 EHAA Cc1ccc2nc(C3CCN(C(=O)CC(F)(F)F)CC3)[nH]c2c1 221297506 PSHMKAOGIYCMHN-UHFFFAOYSA-N 325.334 3.530 0 50 EHAA COc1cc(F)cc(N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 225338345 AJUZAFKKMUURQP-IFXJQAMLSA-N 329.419 3.552 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@@H](O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 248381717 UUPIPRLEJNRKGW-YMEGZWINSA-N 332.484 3.774 0 50 EHAA C[C@H]1CCC[C@@H](C)[C@@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 252474978 PVOJTYXSAGVGMJ-HALDLXJZSA-N 344.459 3.505 0 50 EHAA Cc1c(C(=O)N2CCCCC[C@H]2C(C)C)nnn1CC1CCCC1 252485802 HESXMRZUNQXZEM-KRWDZBQOSA-N 332.492 3.818 0 50 EHAA O=C(C[C@@H](c1cccc2ccccc12)n1cccc1)Nc1cc[nH]n1 263587927 MXGSHEKTYZHUGL-SFHVURJKSA-N 330.391 3.983 0 50 EHAA CSc1ccc(N(C)C(=O)[C@H]2CCO[C@@H]2c2cccnc2)cc1 277339481 WFDAVBQSXNVFML-DLBZAZTESA-N 328.437 3.544 0 50 EHAA Cc1cc(F)ccc1C1CCN(C(=O)N[C@H](C)c2cn[nH]c2)CC1 291617987 BNCUGXDKTRQACD-CYBMUJFWSA-N 330.407 3.507 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(-c2ccccc2)no1 294166632 CGAWINAQSWDWGX-QGTPRVQTSA-N 326.396 3.559 0 50 EHAA Cc1nc(O)cc([C@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)n1 299792012 DUXKLNHAQDLDFI-LBPRGKRZSA-N 346.818 3.556 0 50 EHAA CC(C)(Cl)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 407947205 QCWNNCDPJAFHNG-UHFFFAOYSA-N 345.852 3.925 0 50 EHAA O=C(CNc1cccc(F)c1)NC[C@@H]1CCCO[C@H]1c1ccccc1 408513048 AODSNFHTTRRNPA-JXFKEZNVSA-N 342.414 3.522 0 50 EHAA O=C(Nc1ccc(OC2CCCC2)nc1)c1ncoc1C(F)(F)F 408521942 AQANEZGAVLYVPG-UHFFFAOYSA-N 341.289 3.662 0 50 EHAA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)nc3cc(Cl)ccc13)C2 426651190 CKWDRHQOIRMBKY-MCBXIFIFSA-N 344.842 3.694 0 50 EHAA CCNC(=O)c1cc(NC(=O)N2CCCC(C)(C)CC2)c(C)s1 889397417 COUQEGUGLLJIHH-UHFFFAOYSA-N 337.489 3.850 0 50 EHAA O=C(O)C[C@@H](c1ccccc1)C1CCN(Cc2cscn2)CC1 901600243 STWQPIFRYFYQTF-KRWDZBQOSA-N 330.453 3.614 0 50 EHAA CCn1cc([C@H]2C[C@@H](NC(C)=O)C[C@@H](c3ccc(Cl)cc3)O2)cn1 1073386630 UOARRGLEHVJAAO-OKZBNKHCSA-N 347.846 3.654 0 50 EHAA CC(C)[C@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1N(C)C 1565527424 VLUBMVMDPSGIKN-CJNGLKHVSA-N 343.298 3.581 0 50 EHAA CC(C)(C)OC(=O)Nc1cccc(Cl)c1CN1CCC[C@H](O)C1 1776006254 NRXHAKOCDOYVEU-LBPRGKRZSA-N 340.851 3.644 0 50 EHAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1ccc2cc(OC)ccc2c1 1857673555 UXSXUYAIXBWACU-TYPHKJRUSA-N 325.452 3.974 0 50 EHAA C[C@@H](C(=O)N=c1[nH][nH]c2c(C(F)(F)F)cccc12)c1ccccc1 1875250650 UPTKUIDHQWMGTH-SNVBAGLBSA-N 333.313 3.746 0 50 EHAA Cc1ccc2c(c1)S[C@H](C(=O)N[C@@H]1CCCC[C@H]1n1cccn1)C2 1875261512 ORONLHMXIWOOKR-NUJGCVRESA-N 341.480 3.508 0 50 EHAA CC(=O)Nc1cc(Cl)c(I)c(Cl)c1 1987974912 QRSKIQFTCZAYMS-UHFFFAOYSA-N 329.952 3.556 0 50 EHAA CCc1c(C)nc(Nc2cc(OC)cc(OC)c2)nc1N1CCCC1 2100539417 HVIVXVFZIYOTKP-UHFFFAOYSA-N 342.443 3.708 0 50 EHAA C[C@@H](Oc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1)C(=O)O 83639 RBZWDICAXJFHSY-SNVBAGLBSA-N 326.304 3.650 0 50 EHAA biogenic O=C(NC[C@H]1COc2ccccc2O1)c1cc(Cl)cc(Cl)c1 113834 AGPKUOWBVTZJSP-ZDUSSCGKSA-N 338.190 3.563 0 50 EHAA O=C(Cc1ccc(Cl)cc1)Nc1ccc(Br)cn1 170873 VPICFGVFRTZCTK-UHFFFAOYSA-N 325.593 3.679 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)c1ccc(SC)cc1OC 337797 RIWMLBLPEWNNGJ-UHFFFAOYSA-N 345.420 3.846 0 50 EHAA O=C(NCCOc1ccc(Cl)cc1)c1ccc2ccccc2n1 2170509 IEXGWYHQZJXMSU-UHFFFAOYSA-N 326.783 3.697 0 50 EHAA FC(F)(F)c1ccc2nc(C(F)(F)F)cc(N3CCNCC3)c2c1 2243300 PVWMDWKIYNFTGQ-UHFFFAOYSA-N 349.278 3.682 0 50 EHAA O=C(O)c1cnc2c(F)c(F)c(F)c(NCc3ccccc3)c2c1O 3684527 TZAOWJLQYSZIKW-UHFFFAOYSA-N 348.280 3.668 0 50 EHAA Cc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C 4840229 SVYBLUZYUVBNOI-UHFFFAOYSA-N 341.798 3.937 0 50 EHAA O=C1c2ccc3c4c(ccc(c24)C(=O)N1CCOc1ccccc1)CC3 4852007 SVAFBLPAKOKTRB-UHFFFAOYSA-N 343.382 3.613 0 50 EHAA Cc1ccc2nc(SCC(=O)N[C@@H](C)c3ccccc3)[nH]c2c1 6506557 UJGNFDZZVXGAMC-ZDUSSCGKSA-N 325.437 3.841 0 50 EHAA CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)CC(C)C)C1 12072580 BYANXCRIJSHEPI-HXUWFJFHSA-N 349.446 3.586 0 50 EHAA CC(C)(C)c1cc(NC(=O)COc2ccc(F)cc2Cl)no1 12381587 JEKMXTUVAYYYCA-UHFFFAOYSA-N 326.755 3.782 0 50 EHAA Cc1[nH]c(-c2ccccc2)nc1CN1CCN(Cc2ccccc2)CC1 19640468 RVBZZMFBENCQFY-UHFFFAOYSA-N 346.478 3.703 0 50 EHAA S=C1NCN(Cc2ccccc2)CN1c1cccc2ccccc12 20191213 QFDWPUBDDFKAOX-UHFFFAOYSA-N 333.460 3.952 0 50 EHAA Cc1nc2ccc(Cl)cn2c1CN(Cc1cnn(C)c1)CC(C)C 55308748 FNKOXXJZQHOIHJ-UHFFFAOYSA-N 345.878 3.688 0 50 EHAA CC(=O)N[C@H](C)C1=CCCN(Cc2cccc(F)c2C(F)(F)F)C1 65375666 JRZPHAMSELGHIA-LLVKDONJSA-N 344.352 3.501 0 50 EHAA CC(C)(CN1CCC[C@H](CCc2ccc(F)cc2)C1)N1CCOCC1 71415750 LHBHCNICVWWQJC-LJQANCHMSA-N 348.506 3.581 0 50 EHAA Cc1ccc2nc(C)c(C)c(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)c2c1 71712138 ISFZUIWEKHQRFZ-INIZCTEOSA-N 348.450 3.903 0 50 EHAA CC[C@@H]1CN(Cc2cnc(-c3cccs3)nc2)CCN1C(C)C 72165184 PZTRRXWCIFOPTP-MRXNPFEDSA-N 330.501 3.510 0 50 EHAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1ncc(F)cc1F 72438598 FKWMYNHGJLGMTD-UHFFFAOYSA-N 345.374 3.756 0 50 EHAA CC(C)c1cc(NCc2noc(C3CCCC3)n2)n2nccc2n1 72467953 KEIWMWVHBASOHS-UHFFFAOYSA-N 326.404 3.505 0 50 EHAA CCOCCn1nc(C)cc1C(=O)N1CCCCC[C@@H]1c1ccco1 82092479 XIXSPIAOQBELEY-MRXNPFEDSA-N 345.443 3.579 0 50 EHAA O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1c[nH]nc1-c1cccc(F)c1 91595932 UUVFXXNPBJTLFL-HZSPNIEDSA-N 325.387 3.548 0 50 EHAA O=Cc1cc(Br)cc(Br)c1Br 95628654 UHZYCTSKFLSIHD-UHFFFAOYSA-N 342.812 3.787 0 50 EHAA Cc1cccnc1[C@@H](NC(=O)c1cn2cc(Cl)ccc2n1)C1CC1 97137378 WVIZMCQFISLWFS-KRWDZBQOSA-N 340.814 3.572 0 50 EHAA COc1ccccc1[C@H]1C=C(c2ccccc2Cl)Nc2ncnn21 100771169 OAYZATLOZZHQEV-MRXNPFEDSA-N 338.798 3.996 0 50 EHAA Cc1cc(C[C@@H](C)NC(=O)C2(c3ccccc3C)CCCCC2)n[nH]1 124318226 XFRAKVYSHJULKN-MRXNPFEDSA-N 339.483 3.976 0 50 EHAA O=C(O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 138965261 HKQNHESHJCTPJH-GYBADROVSA-N 328.195 3.679 0 50 EHAA FC(F)(F)c1nnc(N2CC[C@H](COCc3ccccc3)C2)s1 154978426 JVRVYFWRPXDSNN-LBPRGKRZSA-N 343.374 3.600 0 50 EHAA Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 170602475 CLYIUIYUELBFTC-ZDUSSCGKSA-N 338.473 3.576 0 50 EHAA CO[C@H](C)c1noc(CN2CCc3cc(-c4ccccc4)oc3C2)n1 177722093 NSLDMLMAONOUMV-CYBMUJFWSA-N 339.395 3.595 0 50 EHAA NC[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 178545677 BVCHWRXVCGJGNY-ZDUSSCGKSA-N 348.368 3.793 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1c(C)oc2ccccc12 190436768 ICXXHRFYMBUJQQ-HKUYNNGSSA-N 339.439 3.968 0 50 EHAA Cn1ncc2c(SCC(=O)c3csc4ccccc34)ncnc21 194529954 DHWZMYKIOHENNG-UHFFFAOYSA-N 340.433 3.553 0 50 EHAA CCCCc1nc(Cl)c(CN2CCCC3(CCOCC3)C2)[nH]1 216167895 RMJWQRFUUQSPIO-UHFFFAOYSA-N 325.884 3.798 0 50 EHAA CN(CCc1ccccn1)Cc1ccc(CN2CCCCC2)s1 216359831 URDUUVBWLPORNU-UHFFFAOYSA-N 329.513 3.804 0 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Cc1ccc(CCNC(=O)Nc2ccc(F)c(NC(=O)C(C)C)c2)o1 426589032 MCDHIHODVCWSCB-UHFFFAOYSA-N 347.390 3.686 0 50 EHAA CC(=O)N(C)c1ccc(NC(=O)c2ccccc2CC(C)(C)C)cn1 822953407 WSPJPFVRQMEUJZ-UHFFFAOYSA-N 339.439 3.905 0 50 EHAA O=C(N[C@@H]1CCC[C@]12CCCO2)c1cccc(Nc2nccs2)c1 829475996 HEKLPJKYDCUKOR-QAPCUYQASA-N 343.452 3.718 0 50 EHAA Cc1nn(C)cc1[C@@H]1OCC[C@H]1Nc1nc2c(C)cccc2s1 894439415 JUCZYRCOXXONHB-CJNGLKHVSA-N 328.441 3.589 0 50 EHAA CC[C@@](C)(OC)c1noc(C2CC(O)(c3cccc(Cl)c3)C2)n1 896312972 ILPGILUXYQOAAX-PCHQZIJMSA-N 336.819 3.760 0 50 EHAA C[C@@H](CNC(=O)c1cc(O)nc2c1CCCC2)Sc1ccccc1 933689837 FEFCKUDEAUQRJE-ZDUSSCGKSA-N 342.464 3.577 0 50 EHAA COc1ccc(F)c(CN(C)Cc2nc3ccc(F)cc3[nH]2)c1F 952985254 AEHBDXSXJOKWTA-UHFFFAOYSA-N 335.329 3.621 0 50 EHAA Cc1cc(CNc2cccc([C@H]3CNC(=O)C3)c2)cc2cccnc12 1474078437 JISXDRHFNGYEFR-GOSISDBHSA-N 331.419 3.759 0 50 EHAA CC/C=C(/CN1CCCN(C(=O)c2ccncc2)CC1)c1ccccc1 1775978485 OMRLBOLXJMEZBT-YXSASFKJSA-N 349.478 3.723 0 50 EHAA COc1ccc(C)nc1CN1CCC2(CCC(CC(=O)O)CC2)CC1 1777359448 HQPOFUUTHCAIDO-UHFFFAOYSA-N 346.471 3.646 0 50 EHAA Cc1c([C@H](C)NC(=O)c2ccc(CN(C)C)[nH]2)oc2ccccc12 2325816576 BFBWAYSEYXDBMD-ZDUSSCGKSA-N 325.412 3.622 0 50 EHAA O=S(=O)(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(F)s1 2325869985 FAVGPTXJNIPIRQ-LSDHHAIUSA-N 347.436 3.875 0 50 EHAA COC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C(C)(C)C)C2 433877 WLXZXWPBWFKBAE-SECBINFHSA-N 325.430 3.864 0 50 EHAA CCOc1cc(CO)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 610376 SCBUJOHZHJFNND-UHFFFAOYSA-N 349.814 3.557 0 50 EHAA O=C(Nc1nnc(-c2ccncc2)s1)c1csc2c1CCCC2 1056340 PGPXROSCARAUON-UHFFFAOYSA-N 342.449 3.793 0 50 EHAA Nn1c(-c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2066645 UVJSOMUKIRNCPM-UHFFFAOYSA-N 343.430 3.659 0 50 EHAA CCOc1ccccc1-c1nn2c(Cc3ccccc3)nnc2s1 2874510 PJQBWHIIFBSJPK-UHFFFAOYSA-N 336.420 3.842 0 50 EHAA CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)CCc1ccccc1 4625574 XLRUNHARJUVVIE-UHFFFAOYSA-N 334.419 3.509 0 50 EHAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(Cl)c(Cl)c1 4652571 LTDGNQBCXLPCMP-GHMZBOCLSA-N 330.211 3.501 0 50 EHAA CCOC(=O)C[C@H](NC(=O)c1cccc(F)c1)c1ccccc1Cl 4686116 VINQSPWWHLCIFH-INIZCTEOSA-N 349.789 3.903 0 50 EHAA COc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1OC 4842845 SFIHSCMLLCJRQW-UHFFFAOYSA-N 332.356 3.705 0 50 EHAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)NC1CCCCC1 6697708 UKSNMWWRLVRNPU-UHFFFAOYSA-N 342.443 3.909 0 50 EHAA Clc1ccc(N2CCC(N[C@H]3COc4ccccc4C3)CC2)cc1 11873302 IOVZJYFMCDOEHB-GOSISDBHSA-N 342.870 3.902 0 50 EHAA O=C(CC[C@H]1CCCN(Cc2ccc(Cl)s2)C1)NC1CC1 12092849 XFDUVTNYDSOTKB-GFCCVEGCSA-N 326.893 3.672 0 50 EHAA CCCOc1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1 13285297 AVNJHNVLQIBTNR-FMIVXFBMSA-N 349.434 3.724 0 50 EHAA Cc1ccc(-c2cc(C(=O)O)n3nc4nc(C)cc(C)c4c3n2)cc1 13645253 OSAYLCYEZJBDNW-UHFFFAOYSA-N 332.363 3.568 0 50 EHAA Brc1ccc(CNCCc2ccc3c(c2)OCO3)cc1 19721048 RXVLSZNIGWIGFE-UHFFFAOYSA-N 334.213 3.510 0 50 EHAA Fc1ccccc1-c1noc(-c2ccc(NC[C@@H]3CCCO3)nc2)n1 39388401 NQSGYIIBIWDNCZ-ZDUSSCGKSA-N 340.358 3.529 0 50 EHAA CC(C)CN(C/C=C/c1ccccc1)C(=O)CCc1cnn(C)c1 55382853 AZLBDCUASCAPCK-JXMROGBWSA-N 325.456 3.551 0 50 EHAA CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccnc3ccccc23)C1 67774933 XPIVWXSNDYHNMR-MRXNPFEDSA-N 339.483 3.609 0 50 EHAA O=C(CCC(F)(F)F)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 82157181 KNHDCMNBIIQBJW-LBPRGKRZSA-N 339.361 3.687 0 50 EHAA O=C(c1sc2cccc(F)c2c1Cl)N1CCc2n[nH]cc2C1 91626161 HZMLWCZJPMKNRL-UHFFFAOYSA-N 335.791 3.615 0 50 EHAA Cc1[nH]c2c(F)cccc2c1CC(=O)N(C)C1Cc2ccccc2C1 91818035 OUCNKKPHHSBSHJ-UHFFFAOYSA-N 336.410 3.784 0 50 EHAA Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1Cl 95370747 IHAAGIJRMZKDIF-IAGOWNOFSA-N 346.902 3.985 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cc3cccc(C)c3n2C)c1 95375421 OMRCTIQJWOFRPP-MRXNPFEDSA-N 335.451 3.893 0 50 EHAA CCOc1ccc(NC(=O)N2CCC(CSC)CC2)c(F)c1 96141327 GXAHNYZNKOYMEK-UHFFFAOYSA-N 326.437 3.831 0 50 EHAA COc1ccc(CN(C)Cc2c(C)noc2C)cc1CN1CCCC1 97505643 JBIAJCORDLKFNQ-UHFFFAOYSA-N 343.471 3.528 0 50 EHAA CCc1nc(C)c([C@H](C)NCc2ccc(OC)c(NC(C)=O)c2)s1 131870057 MZJOUTMBYWJIFW-NSHDSACASA-N 347.484 3.832 0 50 EHAA CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@H](O)c1ccc(F)cc1F 133612295 GEGIQLPBTNIDLP-SFHVURJKSA-N 343.377 3.520 0 50 EHAA C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1Nc1cccc(-c2ncco2)c1 170592808 ULGNNHDZKHFOFQ-MNEFBYGVSA-N 341.455 3.643 0 50 EHAA CC1(C)CCC(CNC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 179438556 CSKBENKLIZEGDQ-IBGZPJMESA-N 328.500 3.841 0 50 EHAA CCc1cc(N2CC[C@H](OCc3ccncc3)C2)c2ccccc2n1 192901370 WGEHZHXFRPPTRN-SFHVURJKSA-N 333.435 3.988 0 50 EHAA CN(Cc1cc(-c2ccncc2)no1)C(=O)c1cn(C)c2ccccc12 220276128 VQUFDBYEJYRBCX-UHFFFAOYSA-N 346.390 3.501 0 50 EHAA Cc1ccc2c(c1)[C@@H]1CCC[C@H]3[C@H]1N2CC(=O)N3Cc1ccccc1 239386688 PZJPBWRMOCJEBR-XJABCFGWSA-N 332.447 3.862 0 50 EHAA C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)no1 252540414 PJSAADSQEUTVMJ-UGFHNGPFSA-N 329.375 3.585 0 50 EHAA O=C(O)C[C@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc2ccccc2c1 263112292 RRZOAEIVTUZVOU-FDARSICLSA-N 335.403 3.684 0 50 EHAA C[C@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F 283264120 WFKCVEKZNHNASV-LSDHHAIUSA-N 344.405 3.778 0 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COc1cccc2c1OC[C@H](N[C@@H](C)c1ccc(C(F)F)nc1)C2 657867854 QBAXQHSYZVCRRQ-SMDDNHRTSA-N 334.366 3.682 0 50 EHAA C[C@H](c1ccc(C(=O)O)o1)N1CCC2(CCc3ccccc3O2)CC1 659801194 BHXWYCBOZXTPDA-CQSZACIVSA-N 341.407 3.899 0 50 EHAA CC(C)[C@H](NC(=O)c1cccc(Cl)c1O)[C@@H](O)c1ccccc1 790394877 GFTDKZMCJVMKDD-HOTGVXAUSA-N 333.815 3.534 0 50 EHAA Cc1cccc(NC(=O)CCNC(=O)C[C@@H]2CCc3ccccc32)c1 827807355 DKFMTNYTSXGFOI-KRWDZBQOSA-N 336.435 3.560 0 50 EHAA c1ccc(CNc2ncc(CN3CCC[C@@H]3c3cccnc3)cn2)cc1 829069279 PKBPKLHAZMMQBL-HXUWFJFHSA-N 345.450 3.821 0 50 EHAA Cc1csc([C@H]2CCCN(Cc3cccc4nc(O)oc34)C2)n1 891879850 XYEKBSLLBFMBFE-ZDUSSCGKSA-N 329.425 3.678 0 50 EHAA COc1ccccc1-c1ccc(N(C)C[C@@H](C)c2nccs2)nn1 952883634 VXEJJRHOKWWYCE-CYBMUJFWSA-N 340.452 3.849 0 50 EHAA CCOc1cc(-c2nnc([C@H](C)OC)o2)cc(OCC)c1OCC 952988880 HCEZNDJQTQFEKC-NSHDSACASA-N 336.388 3.640 0 50 EHAA O=C(c1cc2ccccc2s1)N1CCC(Cc2cnc[nH]2)CC1 1336882035 ITTDXPDTJCNWOK-UHFFFAOYSA-N 325.437 3.719 0 50 EHAA Cc1ccc(-c2ccccc2CN(C[C@@H]2CCC(=O)N2)C(C)C)o1 1506404306 GVUAJJIZDWYBSA-KRWDZBQOSA-N 326.440 3.744 0 50 EHAA CCc1ccccc1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857678972 OLQJGQRDQVYCDH-UHFFFAOYSA-N 345.446 3.880 0 50 EHAA COc1cnc(C)cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 1857679988 DDRNAEFPGJMLBF-UHFFFAOYSA-N 342.414 3.633 0 50 EHAA CN(Cc1nc(-c2cccs2)no1)c1nc(C2CCC2)ns1 2325752743 JTWDCTLYXKIXKC-UHFFFAOYSA-N 333.442 3.554 0 50 EHAA CCC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccccc2)C1 328032 QCJZJNHXGQJFIG-SFHVURJKSA-N 328.799 3.797 0 50 EHAA O=C(Cc1ccc(Br)cc1)Nc1ccc(F)c(F)c1 449767 ANONJWKIOJVRRG-UHFFFAOYSA-N 326.140 3.909 0 50 EHAA O=C(COc1ccc(Br)cc1Cl)Nc1ccncc1 458559 PYPGMGABSGUFBB-UHFFFAOYSA-N 341.592 3.515 0 50 EHAA O=C1C[C@@H](c2ccccc2C(F)(F)F)c2cc3c(cc2N1)OCCO3 1060402 KSKWTIWIKZAVOE-NSHDSACASA-N 349.308 3.951 0 50 EHAA O=C1NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)N1 3652523 PXPAVXJKNHQRQC-NTEUORMPSA-N 330.796 3.672 0 50 EHAA COc1ccc(CC[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)cc1 4981215 PYAZUZXYRQWQLD-QGZVFWFLSA-N 342.458 3.978 0 50 EHAA O=S(=O)(Nc1ccc(Br)cc1)c1ccc(F)c(F)c1 7052560 BCLXSXNEEZLCFR-UHFFFAOYSA-N 348.168 3.528 0 50 EHAA COc1cccc(NC(=O)Nc2nnc(-c3ccc(F)cc3)s2)c1 8743570 YREKZCFCSQUWEZ-UHFFFAOYSA-N 344.371 3.997 0 50 EHAA COC(=O)C1CCN(C(=O)c2cc3c(ccc4ccccc43)o2)CC1 10542138 OOMFSOMGEDQPLN-UHFFFAOYSA-N 337.375 3.611 0 50 EHAA CCN1CCC[C@H](CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)C1 12075955 YDPDDZJIPFINDI-CQSZACIVSA-N 348.878 3.554 0 50 EHAA CC(=O)OC1=CS[C@@H]2c3ccccc3C(=O)N2Cc2ccccc21 12351775 SWFSKCLBWLYRRZ-LJQANCHMSA-N 337.400 3.950 0 50 EHAA O=C(NC1CCC1)c1coc(COc2cccc(C(F)(F)F)c2)n1 12386799 KLOXEAFPMZCOOY-UHFFFAOYSA-N 340.301 3.555 0 50 EHAA COc1ccc(CN2CCC[C@H](C(=O)c3sccc3C)C2)cc1O 12429357 GKEMPSJUPIZUPQ-HNNXBMFYSA-N 345.464 3.866 0 50 EHAA OCC1(Cc2ccccc2Cl)CCN(Cc2cccc(O)c2)CC1 20454058 UPDYHDLGUIFBKB-UHFFFAOYSA-N 345.870 3.863 0 50 EHAA COc1ccc(-n2cccn2)c(-c2nc3c(C)nn(C(C)C)c3[nH]2)c1 20907367 UCFMNYAVISEVSX-UHFFFAOYSA-N 336.399 3.510 0 50 EHAA Cc1cccc(-c2ncc([C@@H]3CC(=O)Nc4snc(C)c43)cn2)c1 65406789 CKOURMPWZJMBGA-AWEZNQCLSA-N 336.420 3.691 0 50 EHAA O=C(c1ccc[nH]1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66708618 WOWURBVTEZVYAK-CQSZACIVSA-N 325.195 3.535 0 50 EHAA COc1cc(CN2CCC(Oc3ccccc3F)CC2)cc(F)c1O 67446654 RAQISRIHJGTARE-UHFFFAOYSA-N 349.377 3.722 0 50 EHAA Cc1ccc(C)c(NC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1 72163350 SBRRXJAWQMTORQ-KRWDZBQOSA-N 343.471 3.702 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)cn1 72480406 OANQMXXBWFJNBA-OAHLLOKOSA-N 326.440 3.585 0 50 EHAA C[C@@H](Cc1cnccn1)NC(=O)c1sc2cccc(F)c2c1Cl 91737718 PTVUPLIOIDRBLQ-VIFPVBQESA-N 349.818 3.845 0 50 EHAA CCCN(Cc1ccsc1)C(=O)[C@@H](c1cccnc1)N1CCCC1 95352202 IBYSUNVWNVLZLK-GOSISDBHSA-N 343.496 3.719 0 50 EHAA C[C@@H](Cc1cnccn1)NC(=O)Nc1cccc(OC2CCCC2)c1 96162195 QUHYLGYJDSZLME-AWEZNQCLSA-N 340.427 3.551 0 50 EHAA CC(C)[C@@H](NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O 170050072 WQBQIULRKANBHT-LLVKDONJSA-N 343.267 3.923 0 50 EHAA CC[C@@H](C)n1nc(NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1C 170618509 WHJWINYCRXOKQH-LLVKDONJSA-N 348.834 3.702 0 50 EHAA O=C(Nc1ccc(-n2ccnn2)cc1)N1CCC[C@@H]1C1CCCCC1 171159923 ZLZOCZYIGJUMDL-GOSISDBHSA-N 339.443 3.844 0 50 EHAA O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cc2sccc2[nH]1 189088467 QCXAPHFDBSTMJC-CYBMUJFWSA-N 328.393 3.649 0 50 EHAA COC(=O)CC1(CC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)CCCC1 189642241 VANZDBZLIUJJPT-DOTOQJQBSA-N 344.455 3.505 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 222691184 ISOPSIWMNWFDKE-FZKCQIBNSA-N 348.512 3.898 0 50 EHAA CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@H]2CCc3c(O)cccc32)C1 242346942 ZKKAZLNSQVUJND-IOASZLSFSA-N 334.485 3.695 0 50 EHAA C[C@H](OC(=O)/C=C/c1ccccc1Cl)C(=O)N[C@@H]1CCCC[C@H]1C 245285569 XRENGYDAEZDTHE-VDGPOIERSA-N 349.858 3.980 0 50 EHAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)c1cc(F)ccc1OC 252482082 CXNZQGIFNQXNBA-UHFFFAOYSA-N 326.371 3.978 0 50 EHAA CC(C)n1cnc(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)c1 252497744 QOWMTGRGCQHCKB-CQSZACIVSA-N 347.846 3.801 0 50 EHAA O=C1CCCN1C1CCN(CCc2cccc(Cl)c2Cl)CC1 279986517 KEKXNJJUKVYEAJ-UHFFFAOYSA-N 341.282 3.623 0 50 EHAA C[C@@H](N)[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 299740079 VMXZXVHDVDMKLG-ZBFHGGJFSA-N 342.414 3.817 0 50 EHAA Cn1c([C@H]2CCCN2Cc2ccc(Cl)cn2)nc2c1CCCC2 328639831 PQZJQYBGVBGVSQ-QGZVFWFLSA-N 330.863 3.684 0 50 EHAA O=C(NC[C@H]1CCCCC(F)(F)C1)c1noc2c1CCCCC2 329203081 YIZKZFHJJRCSBK-LBPRGKRZSA-N 326.387 3.889 0 50 EHAA Cc1ccc([C@@H](C)N(C)C(=O)c2ccc3nc(O)n(C)c3c2)c(C)c1 332635902 XMWORIUCGFDNJM-CQSZACIVSA-N 337.423 3.729 0 50 EHAA Cc1noc(C)c1CCC(=O)N1CCc2c(Br)cccc21 408521851 SYSPMMDQSXLQBJ-UHFFFAOYSA-N 349.228 3.576 0 50 EHAA COc1ccc(NC(C)=O)cc1NC(=O)N1CCc2ccc(C)cc21 652146622 NFBUFZYJSMNROE-UHFFFAOYSA-N 339.395 3.557 0 50 EHAA O[C@@H](C[C@H]1CCCN1Cc1n[nH]c2ccccc12)c1ccc(F)cc1 770327255 LVOYAXXMPRFQLC-UZLBHIALSA-N 339.414 3.790 0 50 EHAA CCOc1cccc(C(=O)Nc2cccc(N3C(=O)CC[C@@H]3C)c2)c1 823390575 CKMLJFFXDGXGHS-AWEZNQCLSA-N 338.407 3.853 0 50 EHAA CCCNC(=O)c1cccc(CN[C@@H](c2ccccn2)C2CCC2)c1 863984328 STTVLPAKUDCELM-HXUWFJFHSA-N 337.467 3.852 0 50 EHAA CCc1cc(N2CCC(c3nc(C4CCC4)no3)CC2)nc(CC)n1 895023229 SWWPDVLYFXXEBE-UHFFFAOYSA-N 341.459 3.636 0 50 EHAA CCCNc1ccccc1C(=O)N1CCC[C@@H](C(=O)CC(C)C)C1 1506418903 UPDRNKZXKBCCIW-MRXNPFEDSA-N 330.472 3.976 0 50 EHAA O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1ccc2nc(CO)[nH]c2c1 1565527814 TYBUQXDNRRCJBK-SJORKVTESA-N 349.434 3.511 0 50 EHAA O=C(NC1CC1)c1ccc(-c2cc(OC(F)(F)F)ccc2O)cc1 1772817168 KVABYGHTNOUHOV-UHFFFAOYSA-N 337.297 3.850 0 50 EHAA CCCO[C@@H]1C[C@@H](c2nc(C)nn2-c2cccc(C)c2C)CC[C@H]1N 1857719481 NQUIKJZXKHYZEG-YQVWRLOYSA-N 342.487 3.583 0 50 EHAA CCn1cc(NC(=O)N2CCC[C@@H]2c2cc(F)ccc2F)ccc1=O 1875289930 YRTKUZHXMHXYDR-MRXNPFEDSA-N 347.365 3.515 0 50 EHAA O=C(N[C@H](C(=O)O)[C@H]1CCc2ccccc21)c1ccc2ccccc2c1 1875344805 NFMJTBWVLNZRDL-PMACEKPBSA-N 345.398 3.753 0 50 EHAA CC(C)[C@H]1CCc2sc(C(=O)NC3([C@@H]4CCCNC4)CC3)cc2C1 1875406040 VJRURFLPBNOGEV-GOEBONIOSA-N 346.540 3.771 0 50 EHAA Cc1nnc(Cc2ccc(-c3c(F)ccc4c3CN[C@H](C)C4)cc2)o1 2325777905 NFXNDJSEPCWDOY-GFCCVEGCSA-N 337.398 3.809 0 50 EHAA COc1cc(NC(=S)NCc2ccccc2Cl)cc(OC)c1 307480 LNXPSLWEXXLCMI-UHFFFAOYSA-N 336.844 3.844 0 50 EHAA COc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 318777 NBOBTKOZMVUXSW-UHFFFAOYSA-N 338.363 3.920 0 50 EHAA CCn1c(SC)nc2sc3c(c2c1=O)CCc1ccccc1-3 379478 UJDJIDWXBGZRFX-UHFFFAOYSA-N 328.462 3.965 0 50 EHAA CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OC)cc1OC 466994 REKVNOIZRCBDPS-UHFFFAOYSA-N 342.395 3.695 0 50 EHAA CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1OC 474589 CRUDZCSMHDIHJP-UHFFFAOYSA-N 331.865 3.692 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1 557366 QCVWPARUCWHLKX-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA Cc1nn(C)cc1-n1c(S)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 2792714 QLPAOHKFUILJPP-CHWSQXEVSA-N 345.859 3.522 0 50 EHAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cccs1 4943562 ANLHVTJLZLPFKN-UHFFFAOYSA-N 327.409 3.769 0 50 EHAA Cc1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)[C@@H](C)C2)cc1 12373366 NQZPMYZWPAEMNO-KRWDZBQOSA-N 348.450 3.756 0 50 EHAA CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccccc1 12382613 NHADUICXOZAMBQ-CQSZACIVSA-N 342.464 3.944 0 50 EHAA CN(Cc1ccno1)C(=O)C[C@@H](c1ccccc1)c1ccccc1F 12570482 YHNIRRVSCBQJCI-SFHVURJKSA-N 338.382 3.994 0 50 EHAA Cc1cccc(C)c1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 20279846 QHFMRSGXMWZKFQ-KRWDZBQOSA-N 340.398 3.686 0 50 EHAA OCC[C@@H]1CN(C/C(Cl)=C/c2ccccc2)CCN1C1CCCC1 22932602 QGZBQKDNTGJNSX-BKHFDQEPSA-N 348.918 3.578 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3cccnc3)[nH]n2)s1 29287404 TYYNOILJQSOVOJ-MRXNPFEDSA-N 338.436 3.819 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)Cc2c(C)cc(C)c(CO)c2C)c1 55243765 AZJFLKUPZNLANM-KRWDZBQOSA-N 326.484 3.871 0 50 EHAA OCCCn1cnc(-c2ccccc2)c1-c1ccc2cccc(O)c2n1 65373726 SULSPFZAJRATSD-UHFFFAOYSA-N 345.402 3.853 0 50 EHAA CNC(=O)CC1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 65494355 HXJLWOLWZNOGOT-UHFFFAOYSA-N 346.858 3.948 0 50 EHAA CCCCOC(=O)NC(=O)C1c2ccccc2Oc2ccccc21 65731256 RQBUXEUMZZQUFY-UHFFFAOYSA-N 325.364 3.977 0 50 EHAA in-vitro COc1cc(O)ccc1-c1nccn1-c1ccc(OC(F)F)cc1 67803688 ZKZYOBCBVJMRAU-UHFFFAOYSA-N 332.306 3.855 0 50 EHAA CC[C@@H](O)CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67851525 IFGACTQOKCNFBY-QGZVFWFLSA-N 347.842 3.678 0 50 EHAA Cc1cccc(CC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1 91254733 YXQRJIJGIIFAOM-FGZHOGPDSA-N 348.490 3.661 0 50 EHAA Cc1ncsc1CN1CCC(c2nccn2CC2CCC2)CC1 91305424 MKGBKVUYRSKQDL-UHFFFAOYSA-N 330.501 3.828 0 50 EHAA CC1(C)CN(C(=O)CCc2ccc(-c3cccs3)o2)C[C@@]1(C)O 91381002 LERGGSMWCJTMGY-GOSISDBHSA-N 333.453 3.560 0 50 EHAA COc1ccc(-c2ccc(C(=O)N3CCCCC3)cn2)c2cccnc12 97657126 GJCTTYSMKGUAHY-UHFFFAOYSA-N 347.418 3.932 0 50 EHAA CC(C)OC1CCC(NC(=O)c2ccc3nc(S)oc3c2)CC1 159297591 DEUABRYDLWOIRF-UHFFFAOYSA-N 334.441 3.583 0 50 EHAA NC(=O)[C@H]1CCCN(CCCCc2ccc(Cl)c(Cl)c2)C1 170598156 ICYMZLBZVILRFJ-ZDUSSCGKSA-N 329.271 3.513 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc2ccn(C)c2c1 181982879 JEKGQLYTSXTARD-MRXNPFEDSA-N 337.427 3.887 0 50 EHAA Cc1ccc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)nc1 184212097 YHWMHWZNYGMAEJ-WMZOPIPTSA-N 325.412 3.679 0 50 EHAA CC(C)Oc1ccc(NC(=O)NC2CCC(O)CC2)c(Cl)c1 187254995 BSRBPKALVKERKI-UHFFFAOYSA-N 326.824 3.552 0 50 EHAA CCC[C@@]1(COC)CCCN1Cc1nc(CCc2ccccc2)no1 194928793 HXUZQDGZFDNJPL-FQEVSTJZSA-N 343.471 3.636 0 50 EHAA c1ccc(CN(Cc2cc(CN3CCCC3)cs2)C2CC2)nc1 215582740 BRDPGTKWZNSUGL-UHFFFAOYSA-N 327.497 3.904 0 50 EHAA Nc1cc(-c2ccc(C(=O)O)cc2)ccc1-c1ccc(C(=O)O)cc1 218360898 IONBHNFWEFNUEE-UHFFFAOYSA-N 333.343 3.999 0 50 EHAA Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cccc(Cl)c2C)C1 225606321 HBGSOSXFHYGQNN-AWEZNQCLSA-N 348.830 3.685 0 50 EHAA Cc1c(CN2CCC[C@@H]3CCCC[C@H]32)c(=O)n(-c2ccccc2)n1C 230136083 WMSDSHMGTFQZQA-FXAWDEMLSA-N 339.483 3.639 0 50 EHAA Cc1c([C@@H](C)NC(=O)CCOC2CCOCC2)oc2ccccc12 241634579 PNOYMCJJXHNIKP-CQSZACIVSA-N 331.412 3.504 0 50 EHAA Cc1cc(-c2ccccc2)nc(CN2CCCC[C@H]2c2nc(C)no2)n1 244899446 ZKCCMGPGTLAWFW-SFHVURJKSA-N 349.438 3.871 0 50 EHAA C[C@@H]1CC[C@@H](NCC2(c3ccc(Cl)cc3)CC2)[C@@H](n2cncn2)C1 252537192 KPOIHDIQELUXBK-OLMNPRSZSA-N 344.890 3.983 0 50 EHAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1ccc2ccn(C)c2c1 253414954 ZEDSWABWPAGTSU-RBUKOAKNSA-N 339.483 3.515 0 50 EHAA biogenic Fc1ccc(F)c(CN(Cc2ccccn2)[C@@H]2CCCNCC2)c1 275675768 LWHIFMUCFIOCKI-GOSISDBHSA-N 331.410 3.504 0 50 EHAA CC1(C)[C@@H](NCc2ccc(Oc3cccnc3)c(F)c2)[C@@H]2CCO[C@@H]21 278303446 SBQDPSXDXGXVTF-SNRMKQJTSA-N 342.414 3.916 0 50 EHAA O=C(C[C@H]1CCc2ccccc2C1)N1CCC2(CCOCC2)CC1 284648751 WBEVPUFYIOJOMW-KRWDZBQOSA-N 327.468 3.601 0 50 EHAA O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H](Cn2ccnc2)C1 299770215 NZHNUPHUJCNONP-GFCCVEGCSA-N 336.798 3.620 0 50 EHAA C1CCc2[nH]c([C@H]3CCCN3Cc3nc(C4CCCC4)no3)nc2C1 328631930 KYQXASYKGCJMOH-MRXNPFEDSA-N 341.459 3.666 0 50 EHAA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc([C@H]3C[C@H]3C)o2)cn1 328651541 VZITYGQFPCQPDD-XIEZEKGWSA-N 342.443 3.569 0 50 EHAA Cc1c(Cl)cncc1NC(=O)N1CC2(CCOCC2)[C@@H]1C(C)C 333942305 PUARTQVOGUHOHN-HNNXBMFYSA-N 337.851 3.712 0 50 EHAA Cc1cccc(C)c1OC1CCN(C(=O)c2conc2C2CC2)CC1 377725217 PZJVOYZFVZRWEI-UHFFFAOYSA-N 340.423 3.852 0 50 EHAA O=C(N[C@H]1CCOC1)c1cccc(-c2ccc(C(=O)C3CCC3)cc2)c1 584889970 FLQZPKKYMMBIFY-FQEVSTJZSA-N 349.430 3.855 0 50 EHAA CC(=O)N1CCc2sc(-c3csc(COC(C)C)n3)cc2C1 656476407 TZEPUDIUPAGCBJ-UHFFFAOYSA-N 336.482 3.701 0 50 EHAA CCCCc1ccc(C(=O)N[C@@H](C(=O)NCCC(C)C)C(C)C)cc1 670417828 MSIAENJIPLTWDA-LJQANCHMSA-N 346.515 3.946 0 50 EHAA O=C(NCC1(CO)CCCCC1)c1ccc2ccc(Cl)cc2n1 675615195 DQEDMGNZQJGGET-UHFFFAOYSA-N 332.831 3.561 0 50 EHAA C[C@H](C(=O)NC(C)(C)C(=O)Nc1ccccc1)c1c(F)cccc1F 677888650 QDCADBPBGSNQQB-LBPRGKRZSA-N 346.377 3.602 0 50 EHAA O=C(Nc1ccc(F)nc1F)N[C@@H]1CC2(CCC2)Oc2ccccc21 844677492 QARMWJUAPUYAGW-CYBMUJFWSA-N 345.349 3.928 0 50 EHAA CO[C@@H]1CC[C@H](C)N(c2nc(-c3cccnc3)nc3ccccc23)C1 866068883 CIFZOYMVEMFLKR-GOEBONIOSA-N 334.423 3.696 0 50 EHAA Cn1cnc(CCN[C@H]2CCCc3c2[nH]c2c(Cl)cccc32)c1 886624039 WGNBVRIEDCQYNG-INIZCTEOSA-N 328.847 3.765 0 50 EHAA Cc1ccc(C(=O)Nc2cnn([C@@H]3CCCCO3)c2)c(C(C)C)n1 912563090 UJDSHIXEWKFRHJ-INIZCTEOSA-N 328.416 3.661 0 50 EHAA COc1cccc2c1CCCCN2C(=O)c1nccc2cccnc12 935067651 CAUPKWXUWJUWKB-UHFFFAOYSA-N 333.391 3.622 0 50 EHAA CO[C@H](C)c1nnc(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1 1529102006 TZEGPOSSWYGQGX-SSDOTTSWSA-N 346.239 3.734 0 50 EHAA CN(C)C(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2O)s1 1772710578 XXVNSZQTJOHSNV-UHFFFAOYSA-N 331.315 3.721 0 50 EHAA Cc1cccc(Cl)c1-c1nccn1-c1ccc2c(c1)C(=O)NCC2 1772817225 MVCBPLUVGDEKDN-UHFFFAOYSA-N 337.810 3.787 0 50 EHAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cccc(Cl)c1Cl 1857677432 BMVYITVOBVNMFN-PXTQAZKISA-N 342.222 3.851 0 50 EHAA O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1CC[C@H]1c1ccccc1 1875306800 PJVWTRIIJKHEPF-AABGKKOBSA-N 337.419 3.987 0 50 EHAA O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccc(-n2ccnn2)cc1 1875388018 JYQMDWKPFVYPGT-UHFFFAOYSA-N 337.423 3.641 0 50 EHAA Cc1cnn(Cc2ccccc2Cl)c1NC(=O)c1ccn(C)c1C 2100557344 ZTESQOZCFLSMNR-UHFFFAOYSA-N 342.830 3.792 0 50 EHAA Cc1ncccc1[C@H](C)NCc1cn2cccc(Br)c2n1 2325792143 FOXIFDAKGSJRHW-LBPRGKRZSA-N 345.244 3.651 0 50 EHAA CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cncn2)c(C(C)C)c1 57639 BKJMMUUBRUWPPQ-UHFFFAOYSA-N 335.473 3.885 0 50 EHAA in-vitro CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(O)c(OCC)c1 104215 IFDHPVUYHKWBBF-GOSISDBHSA-N 326.396 3.767 0 50 EHAA biogenic Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCCO2 153807 WSPHVGQUOMOZSN-UHFFFAOYSA-N 336.347 3.674 0 50 EHAA O=C(Nc1cccc2ccccc12)N1CCN(c2ccccn2)CC1 235727 HJTHKNYPHPFOAW-UHFFFAOYSA-N 332.407 3.589 0 50 EHAA COC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc2ccccc12 475481 ROKGJIQTMIOJFY-RGEXLXHISA-N 331.371 3.784 0 50 EHAA O=C1OC(c2ccccc2Br)=N/C1=C\c1cccc(F)c1 4507670 GPHVRMYNWOLZRQ-ZROIWOOFSA-N 346.155 3.933 0 50 EHAA CCCCNc1ncc2c(n1)C[C@@H](c1ccc(N(C)C)cc1)CC2=O 4741308 ROUWUIRONKTHRW-OAHLLOKOSA-N 338.455 3.667 0 50 EHAA O=C(CSCc1ccc(Br)cc1)NCc1ccco1 4806647 SZHLTWPXNSJKNT-UHFFFAOYSA-N 340.242 3.592 0 50 EHAA O=C(Cc1ccc(Br)cc1)Nc1cc(F)cc(F)c1 4814512 FPZQLDPNBDFCRC-UHFFFAOYSA-N 326.140 3.909 0 50 EHAA Cc1ccc(CNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 4834344 WGCLZMYYJDLLOV-ZDUSSCGKSA-N 348.240 3.841 0 50 EHAA C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1nccs1 4842160 AKUWWXDYQQSNKQ-GFCCVEGCSA-N 344.465 3.507 0 50 EHAA Cc1nn([C@H](C)CC(=O)Nc2ccccc2)c(C)c1Br 6729988 DSSMQWQSLQYRTO-SNVBAGLBSA-N 336.233 3.852 0 50 EHAA Cn1cc(CN2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1 12073489 UOCAFXNMIYTDTM-GOSISDBHSA-N 339.483 3.813 0 50 EHAA NC(=O)c1sc2nc(C(F)(F)F)cc(-c3cccs3)c2c1N 12357577 OFYSRKOWGCPOMZ-UHFFFAOYSA-N 343.355 3.725 0 50 EHAA Fc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1Cl 13731996 AIWJTSPZNUIBJX-UHFFFAOYSA-N 331.763 3.707 0 50 EHAA O=C(CCc1ccco1)N1CCc2onc(-c3cccc(F)c3)c2C1 19228118 CDXDZBIIHDZFKI-UHFFFAOYSA-N 340.354 3.591 0 50 EHAA Brc1ccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc1 19788502 DZMYYDXBIXXGTO-MRXNPFEDSA-N 349.316 3.923 0 50 EHAA CCOc1ccccc1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl 21806970 XTOQNLWOFLNCNL-UHFFFAOYSA-N 347.724 3.743 0 50 EHAA CCc1ncc(C(=O)N[C@H](c2cccnc2)c2ccc(C)cc2C)cn1 67743141 KHGRWGUIUHQTAH-HXUWFJFHSA-N 346.434 3.570 0 50 EHAA Cc1ccc(Oc2ncccc2CNC(=O)c2cccc(O)c2C)cn1 67965059 INCQYBKTVLXOSN-UHFFFAOYSA-N 349.390 3.521 0 50 EHAA NC(=O)CC[C@@H]1CCCN(Cc2ccc(Oc3ccccc3)cc2)C1 72153247 YIZSDYLXVDLVNH-KRWDZBQOSA-N 338.451 3.956 0 50 EHAA CCNc1ncc(CN2CCC(Oc3ccccc3Cl)CC2)cn1 72163274 VPTMUYQVKBXCMZ-UHFFFAOYSA-N 346.862 3.605 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N[C@H](C)Cc3cncs3)c2c1 77486779 HKYAESLSGODKTO-GFCCVEGCSA-N 325.437 3.669 0 50 EHAA COCC[C@]1(CO)CCCN(Cc2ccc(OC3CCCC3)cc2)C1 91327184 MPGPSMMVNVDAAS-OAQYLSRUSA-N 347.499 3.619 0 50 EHAA CCCC(=O)C(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc23)c1C 91713511 SPCAJWHGVNJYPJ-AWEZNQCLSA-N 349.434 3.880 0 50 EHAA O=C1N(CC2CCC2)CCC[C@]12CCN(C/C=C/c1ccccc1)C2 91845496 ULHHNTMAPUHSRD-NCZOVAKNSA-N 338.495 3.814 0 50 EHAA CN1CCCC[C@@H]1CCC(=O)NCc1cc2cc(Cl)ccc2[nH]1 95368347 YIZKAEXAEHPZKG-MRXNPFEDSA-N 333.863 3.702 0 50 EHAA Cc1cc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)cc(C)n1 95509228 XCSYIMUGQXIACN-SFHVURJKSA-N 347.466 3.722 0 50 EHAA CCOc1ccc2nc(CN(Cc3cnn(C)c3)C3CC3)ccc2c1 97515157 AOFOCSXYWAYQHG-UHFFFAOYSA-N 336.439 3.532 0 50 EHAA C[C@@H](C[C@H]1C[C@@H](C)OC1=O)C(=O)Nc1ccc(Cl)cc1Cl 101054715 LBCZDKHOYGQIOO-AEJSXWLSSA-N 330.211 3.910 0 50 EHAA O=C(Nc1ccc(Nc2ccccc2)nc1)[C@H]1CCCc2[nH]ncc21 135225553 CLHIYGBXZYGPCB-HNNXBMFYSA-N 333.395 3.607 0 50 EHAA c1ccc(-n2nc(C3CC3)cc2-c2nnc(-c3cccnc3)o2)cc1 170127521 ANHZWKOHEWLCSQ-UHFFFAOYSA-N 329.363 3.862 0 50 EHAA CC1=C(C(=O)N2CCC(Cc3cccc(F)c3)CC2)SCCO1 170619342 KNCKVSNBPLWUNP-UHFFFAOYSA-N 335.444 3.602 0 50 EHAA CCc1nnc(-c2cccc(NC(=O)c3cc(Cl)ccn3)c2)o1 175371378 CPHPGDZDBXIBDW-UHFFFAOYSA-N 328.759 3.600 0 50 EHAA O=C(N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2)C1=CCOCC1 193188136 XOHYSWFOOCNPTA-NRFANRHFSA-N 349.430 3.564 0 50 EHAA COc1ccc(/C=C/CN(Cc2ccccn2)C[C@@H]2CCCO2)cc1 215874361 PQTKIJYJLMFTEQ-LWQICCLCSA-N 338.451 3.785 0 50 EHAA CC(C)c1cc([C@@H]2CCCN2C(=O)c2cnc3ccccc3n2)no1 222374457 WGHUVOUDHITVLN-KRWDZBQOSA-N 336.395 3.719 0 50 EHAA Cc1ccc2[nH]c(CCCNC(=O)CCC(F)(F)F)nc2c1C 223476723 BTNOHJNEUVZTGC-UHFFFAOYSA-N 327.350 3.571 0 50 EHAA COc1ccc(CNC(=O)c2cccc(Cl)c2C)cc1NC(C)=O 225589491 GVBZWQZXQZFIBE-UHFFFAOYSA-N 346.814 3.545 0 50 EHAA Cc1cc(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)ccn1 225720175 TWECAVLKMVFKAU-UHFFFAOYSA-N 343.814 3.532 0 50 EHAA CC[C@H](NC(=O)C(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1 239359559 AESBBTDYKQTRKS-OALUTQOASA-N 336.435 3.521 0 50 EHAA CCc1nc2c(s1)[C@H](N(C)C(=O)[C@@H]1C[C@H]1c1ccco1)CCC2 241124290 JGZGYIPKKXWSSX-YRGRVCCFSA-N 330.453 3.938 0 50 EHAA Cc1nc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccccc3Cl)C2)no1 248063212 WDLLEXQBMUUFBZ-SNPRPXQTSA-N 345.830 3.541 0 50 EHAA C[C@H]1CN(C(=O)CC2C[C@@H]3CC[C@H](C2)N3)CC[C@H]1c1ccccc1 252549728 RTRKFVLPPZQZNX-AEOXZHQRSA-N 326.484 3.559 0 50 EHAA Cc1nnc(CN2CCCCC[C@@H]2C[C@H](O)c2cccs2)s1 253418356 CQGIJLSNEJPASB-KGLIPLIRSA-N 337.514 3.776 0 50 EHAA CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 253621878 RGHGKGRVFXQGOV-WTNBZTELSA-N 348.527 3.956 0 50 EHAA O=C(O)C[C@@H]1CCCN(Cc2ccccc2OCC(F)(F)F)CC1 299745771 SHFZWCYCIXPJJZ-CYBMUJFWSA-N 345.361 3.705 0 50 EHAA Cc1ccc(Br)c(C(=O)N[C@@H](CCO)c2ccccc2)c1 305660409 GOBDJHCSTFNPOY-INIZCTEOSA-N 348.240 3.611 0 50 EHAA CCc1nn(C)c(Cl)c1CNC[C@H]1CCO[C@@H]1c1ccccc1 328619533 FZRSRVNIZSDGPV-RHSMWYFYSA-N 333.863 3.503 0 50 EHAA O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(Cc2cc(-c3ccco3)on2)C1 340241054 XMDOMIGGJOPUJF-CJNGLKHVSA-N 346.333 3.521 0 50 EHAA CCC(CC)c1n[nH]c(=NC(=O)N2CC[C@@H](C)C3(CCC3)C2)s1 357058020 QLMNYMUWIOAAMI-GFCCVEGCSA-N 336.505 3.908 0 50 EHAA Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1noc2c1CCCC2)CC3 491522183 RFUWRGIENAISEK-CYBMUJFWSA-N 349.434 3.630 0 50 EHAA CC[C@H](NC(=O)CC1=CSC2=NCCCN12)c1ccc(C)cc1 670455126 MVGJSEPQUUMJRB-INIZCTEOSA-N 329.469 3.602 0 50 EHAA c1ccc(-c2cnc(C3CCOCC3)o2)c(OC[C@H]2CCOC2)c1 904759634 UFFXZTVFHLKAAQ-AWEZNQCLSA-N 329.396 3.651 0 50 EHAA CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCC2)o1 952979938 POKFMJZXKOYZBA-UHFFFAOYSA-N 347.846 3.847 0 50 EHAA Cc1[nH]nc2ccc(C(=O)N(C)Cc3csc(C(C)C)n3)cc12 1155565317 YCSMTCWSIHZCAY-UHFFFAOYSA-N 328.441 3.723 0 50 EHAA CC1(C)CN(C(=O)c2cc3cc(C(F)(F)F)ccc3s2)C[C@H]1N 1344766980 UANDYEATALUJKG-CYBMUJFWSA-N 342.386 3.729 0 50 EHAA CCN(Cc1nc(C(C)C)no1)C(=O)c1cc(-c2ccccc2)no1 1506419371 BEUVCDSMQNADTG-UHFFFAOYSA-N 340.383 3.510 0 50 EHAA CN(Cc1cccc2cccnc12)C(=O)c1cc(=O)c2ccccc2o1 1506421314 OJEITCWYCFTWLU-UHFFFAOYSA-N 344.370 3.613 0 50 EHAA CC(C)[C@H]1CN(C(=O)c2ccn(C(C)C)n2)C[C@@H](c2ccccc2)O1 1529196385 ZCFHGTDSDSVKJK-MOPGFXCFSA-N 341.455 3.702 0 50 EHAA COC(=O)c1ccc([C@@H](O)CN2CCCCC[C@H]2c2ccco2)cc1 1875332047 AQRQAVXPXQBOLI-ROUUACIJSA-N 343.423 3.717 0 50 EHAA CC(C)C[C@H]1CC[C@@H](NC(=O)NCCc2nn(C)c3ccccc23)C1 1875354892 SFBCEISMZXXHSW-HZPDHXFCSA-N 342.487 3.630 0 50 EHAA O=C(/C=C/c1ccc2c(c1)CCO2)O[C@H]1CCC[C@@H]1c1cccnc1 2325743001 MCFHLUDWKFTLQX-YJWJXRIHSA-N 335.403 3.909 0 50 EHAA COC(=O)c1cc(C)c(CSc2ncnc3sc(C)cc23)cn1 2325788315 YBXZZXSDKXMJAS-UHFFFAOYSA-N 345.449 3.782 0 50 EHAA CC(C)(C)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1 153388 NROMKWATUIKZDX-UHFFFAOYSA-N 338.455 3.733 0 50 EHAA O=C(O)CCn1c(SCCc2ccccc2)nc2ccccc21 193448 LMLHJSMLPNSPCL-UHFFFAOYSA-N 326.421 3.846 0 50 EHAA O=C(/C=C/c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 441715 ISQURPIWJSBIDR-MDZDMXLPSA-N 326.827 3.702 0 50 EHAA Cc1ccnc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 457322 HJSCLBBTNDGTOZ-QPJJXVBHSA-N 331.828 3.570 0 50 EHAA COCCCn1c(-c2cccc(OC)c2)nc2nc3ccccc3nc21 2410504 MGXYZXDXKZQNTL-UHFFFAOYSA-N 348.406 3.692 0 50 EHAA Cc1cnn(C(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C2CC2)c1 2775094 BGKXQXLJPQVVAG-QMMMGPOBSA-N 346.740 3.839 0 50 EHAA COc1cccc(OCCOCCOc2ccccc2OC(C)C)c1 2983719 ODKMBTITOVDXIV-UHFFFAOYSA-N 346.423 3.957 0 50 EHAA Cc1cc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cs1 6730888 YIDMBTLZFUVAIN-UHFFFAOYSA-N 344.524 3.783 0 50 EHAA Cc1cnnn1-c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 9764014 UJDKNOGYXWKGTC-UHFFFAOYSA-N 328.375 3.981 0 50 EHAA O=C(NC1CCCC1)c1cc(COc2ccc(F)cc2Cl)on1 11951396 CVVMIGQOTNVYQZ-UHFFFAOYSA-N 338.766 3.719 0 50 EHAA CCN1CCN(CCCOc2ccccc2Cc2ccccc2)CC1 20390062 SCCWUSVORMCMEQ-UHFFFAOYSA-N 338.495 3.684 0 50 EHAA CC[C@@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 36914694 DZSLHAJXIQCMLR-HXUWFJFHSA-N 339.391 3.778 0 50 EHAA CCOc1cc(CNCc2cnc(C)cn2)ccc1O[C@@H](C)CC 55271512 XYMPMVIBLBFBPU-HNNXBMFYSA-N 329.444 3.651 0 50 EHAA Cc1ccc2c(C(=O)N3CCCC3)cc(-c3cncnc3)nc2c1C 63844604 BRCZENPJKBNFTJ-UHFFFAOYSA-N 332.407 3.545 0 50 EHAA CCNc1ncc(CN2CCC[C@H](CCc3ccccc3F)C2)cn1 71552120 LEOTWUYLBGQMGF-MRXNPFEDSA-N 342.462 3.892 0 50 EHAA C[C@@H]1CCCCN1CCC(C(N)=O)(c1ccccc1)c1ccccc1 71769749 RSGZFCYQCKXIQH-GOSISDBHSA-N 336.479 3.723 0 50 EHAA Cn1cccc1-c1cc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)[nH]n1 77299581 YUPOQUNTTAUNLU-KRWDZBQOSA-N 338.386 3.532 0 50 EHAA COCCC[C@@H]1CCCN(Cc2cnc(-c3cccs3)nc2)C1 77455556 CWCOLESCYBDSTD-HNNXBMFYSA-N 331.485 3.844 0 50 EHAA CN(C[C@@H]1CCN(c2ccccc2)C1)c1noc(-c2ccccc2)n1 77470881 WZKAATHPIWGADN-INIZCTEOSA-N 334.423 3.699 0 50 EHAA Cc1cc2c(cc1CN1CCCC[C@@H]1CCn1ccnc1C)OCO2 77525368 BEEVMVBQNLGDQO-GOSISDBHSA-N 341.455 3.673 0 50 EHAA CCC[C@@H](C(=O)NC)n1ccnc1-c1ccccc1C(F)(F)F 82137436 VDHOONXNWDHCOF-ZDUSSCGKSA-N 325.334 3.656 0 50 EHAA O=c1cc(CN2CCCC[C@H]2c2ccccn2)[nH]c2ccc(F)cc12 91593134 VEDOIUIJCIBQMI-IBGZPJMESA-N 337.398 3.789 0 50 EHAA Cc1cc([C@H]2CCCCN2C(=O)c2cc(-c3ccc(C)o3)n[nH]2)no1 91952095 KOBSBDICKKJCOK-MRXNPFEDSA-N 340.383 3.642 0 50 EHAA CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1cscn1 96163304 XNTZVFLLMUPQLY-IBGZPJMESA-N 339.464 3.949 0 50 EHAA Cc1ccc(SC2CCN(C(=O)[C@@H]3CCCCCN3C)CC2)cc1 97294931 OWJXCXPYVQASCJ-IBGZPJMESA-N 346.540 3.953 0 50 EHAA CC1=C(C)C[C@@H]2C(=O)N(c3ccc(N4CCCCC4)cc3)C(=O)[C@H]2C1 100572473 YVMKBJWHBSKBQW-OALUTQOASA-N 338.451 3.913 0 50 EHAA CC(C)c1cc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)no1 122635917 CWOZTMLXVVRXCD-INIZCTEOSA-N 341.455 3.535 0 50 EHAA Cc1cc(C[C@H](C)NC(=O)C2(c3cccs3)CCCCC2)n[nH]1 155838989 ICMFMZDEIYWHJA-ZDUSSCGKSA-N 331.485 3.729 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(OC(F)F)cc1 157155232 PJGLGKXMRWUMHZ-AWEZNQCLSA-N 335.354 3.605 0 50 EHAA C[C@H](NC(=O)Nc1cccc2[nH]ccc12)c1ccc2c(c1)OCCO2 171397502 JNDKLMWPYVYNNC-LBPRGKRZSA-N 337.379 3.822 0 50 EHAA COc1ccc2c(c1)CN(CC1CCNCC1)[C@H](c1ccccc1)C2 178976331 XKHSNTRNYDSMBD-QFIPXVFZSA-N 336.479 3.794 0 50 EHAA O=C(N[C@H]1CCOC2(CCCC2)C1)c1cnc2ccc(F)cc2c1 179327215 ZURMCQCQCAYFDX-INIZCTEOSA-N 328.387 3.596 0 50 EHAA CCCc1cnc(NC(=O)CCc2nnc(-c3ccsc3)o2)s1 180275597 BZTOSCOZASCNEP-UHFFFAOYSA-N 348.453 3.778 0 50 EHAA Cc1nn(CC(=O)N(Cc2cccnc2)C2CCCCC2)c(C)c1C 215370563 TVXAOYLUMYPKBU-UHFFFAOYSA-N 340.471 3.565 0 50 EHAA CC(=O)N[C@H]1CN(c2cc(C)c3ccccc3n2)C[C@@H]1c1ccc(C)o1 219316189 RSRNEQDYZBENSO-HKUYNNGSSA-N 349.434 3.553 0 50 EHAA O=C1C[C@@H](CN[C@H]2CCCOc3cc(F)ccc32)c2ccccc2N1 221775745 UQFHTFQNXZUOCJ-GUYCJALGSA-N 340.398 3.755 0 50 EHAA Cn1cc(-c2ccccc2)c(NC(=O)NCCc2cccc(F)c2)n1 239475460 AOMGYALAPFCMOT-UHFFFAOYSA-N 338.386 3.590 0 50 EHAA CC(C)Cc1nsc(NC2CCN([C@@H](C)c3ccncc3)CC2)n1 242047956 VRNHZBVZOVJOPH-AWEZNQCLSA-N 345.516 3.769 0 50 EHAA CC(=O)[C@]1(O)[C@H](C)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 245238093 RGHGKGRVFXQGOV-DAARMFIKSA-N 348.527 3.956 0 50 EHAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 252474528 HAVRODLSUXKUMF-AONVYAMJSA-N 332.492 3.612 0 50 EHAA C[C@@H]1CC[C@H](NCC2(c3ccc(Cl)cc3)CC2)[C@@H](n2cncn2)C1 252537191 KPOIHDIQELUXBK-JLSDUUJJSA-N 344.890 3.983 0 50 EHAA O=C(Nc1ccccc1OC(F)F)N1CCOC[C@H]1c1ccccc1 253427169 LMXWCXAACSDTIT-HNNXBMFYSA-N 348.349 3.893 0 50 EHAA CC(C)c1nn(C)cc1NC(=O)c1cc2c(C(C)C)nn(C)c2s1 280242274 NNCVKMZCRYYKNQ-UHFFFAOYSA-N 345.472 3.867 0 50 EHAA Cc1cc(C(=O)N2CCc3ccc(C(=O)O)cc3C2)c(Cl)cc1F 347398945 VZXSNHATKKGXAL-UHFFFAOYSA-N 347.773 3.684 0 50 EHAA Cc1c[nH]cc1C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccc(Cl)cc1)C2 408519757 NTFFLNHMUMBEHL-HOTGVXAUSA-N 344.842 3.631 0 50 EHAA CC1(C)OCC[C@H]1CNC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 661117233 JDBAVNYQUJNAIO-DZKIICNBSA-N 336.863 3.700 0 50 EHAA CCn1ccnc1[C@@H]1OCC[C@H]1CNc1ncc(Cl)cc1Cl 664377586 GTCGUTCKKANBTL-GXFFZTMASA-N 341.242 3.795 0 50 EHAA CC(C)Oc1ccc(NC(=O)N[C@@H]2CCc3ccc(O)cc32)cc1 665599882 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COc1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1OC 516073 MNHQVSWQTIPJII-UHFFFAOYSA-N 330.771 3.998 0 50 EHAA Cc1ccc(F)cc1NC(=O)[C@@H](C)Cn1nc(C(F)(F)F)cc1C 2796218 XJUKIACIKOEVHW-JTQLQIEISA-N 343.324 3.933 0 50 EHAA O=C(O)c1cc(Oc2c(F)c(F)c(F)c(F)c2F)cc(C(=O)O)c1 3135483 NQEBOPPJXPOQPN-UHFFFAOYSA-N 348.179 3.571 0 50 EHAA COCc1cc(C)nc2sc(C(=O)Nc3cccc(F)c3)c(N)c12 4413908 WLFCYBZPWDWXGG-UHFFFAOYSA-N 345.399 3.725 0 50 EHAA CCOc1c(Br)cc(CNCc2ccco2)cc1OC 4841072 XIMNCGVZRKMHOP-UHFFFAOYSA-N 340.217 3.739 0 50 EHAA Cc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)c1Cl 4903079 UMVSJWUHMCBPPX-UHFFFAOYSA-N 337.206 3.557 0 50 EHAA CCOC(=O)[C@@]1(CCOC)CCCN(Cc2cc3ccccc3o2)C1 12225588 NTFMGGVXGIJRKR-HXUWFJFHSA-N 345.439 3.615 0 50 EHAA Cc1cc(C)nc(SC/C=C/CSc2nc(C)cc(C)n2)n1 13370399 GXOIJSKURVWAIG-AATRIKPKSA-N 332.498 3.941 0 50 EHAA O=C(c1cscn1)N1CCC[C@H](CCc2c(F)cccc2F)C1 14970854 ZFCRXVJFXMQBCQ-GFCCVEGCSA-N 336.407 3.906 0 50 EHAA O=C1S/C(=C\c2ccccc2O)C(=O)N1Cc1ccc(F)cc1 15010862 WPEHNSUPCKEGEO-DHDCSXOGSA-N 329.352 3.768 0 50 EHAA CCCOc1ccc2cc(S(=O)(=O)Nc3cccnc3)ccc2c1 16626423 VCJVTROZAYNWES-UHFFFAOYSA-N 342.420 3.824 0 50 EHAA COCc1noc(-c2ccc(N[C@@H]3CCCc4ccccc43)nc2)n1 19220509 RDYYTEVZGPJIKX-MRXNPFEDSA-N 336.395 3.768 0 50 EHAA Cc1nc(-c2cccnc2)sc1C(=O)N1CCc2ccccc2C1 22237550 UERIJPWAGGKVEH-UHFFFAOYSA-N 335.432 3.712 0 50 EHAA O=C(c1cccc(-c2ccc(O)cc2)c1)N1CCC[C@H]1Cn1cccn1 55060498 MDIDEQCGVAKOFP-IBGZPJMESA-N 347.418 3.561 0 50 EHAA COc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3ccco3)n[nH]2)cc1 67742633 UIGDLCDSKCMATA-LBPRGKRZSA-N 325.368 3.512 0 50 EHAA Clc1ccc([C@@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)CCO2)cc1 71614474 OWDPXCJYAAUJIO-SFHVURJKSA-N 343.814 3.897 0 50 EHAA O=C1CC[C@]2(CCCO2)CCN1Cc1ccccc1C(F)(F)F 71774772 JLUWQFRSKNQDGZ-MRXNPFEDSA-N 327.346 3.767 0 50 EHAA c1ccc(CNc2cc(-c3ccc4c(c3)OCO4)c3cc[nH]c3n2)nc1 72158119 QWUOHKIWDAFGAB-UHFFFAOYSA-N 344.374 3.966 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@@H]2c2cccnc2)c1 72420286 KVYSMGHWGKYMOY-LJQANCHMSA-N 338.451 3.762 0 50 EHAA C[C@@H](CC(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)n1ccnc1 77407011 DYZVMFGDZSMHML-AWEZNQCLSA-N 347.846 3.558 0 50 EHAA CC(=O)c1cccc(C(=O)N2CCCN(c3ccccc3C)CC2)c1 82096926 NTTJCIDNWPKUCF-UHFFFAOYSA-N 336.435 3.550 0 50 EHAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)NC(C)C)c1C 91625280 BMTORCHEXGLUHK-MRXNPFEDSA-N 326.444 3.574 0 50 EHAA CCOC(=O)c1csc(Cc2ccccc2Br)n1 91694948 AVNINJXMPZETJD-UHFFFAOYSA-N 326.215 3.673 0 50 EHAA CCn1ccnc1C1CCN(C(=O)Cc2cccc(Cl)c2)CC1 91746978 INLFDPVWHMVXDM-UHFFFAOYSA-N 331.847 3.505 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3C(C)C)C2)ccc1F 95369624 HGXILKPUONXTER-INIZCTEOSA-N 329.419 3.931 0 50 EHAA CC(C)c1nc(CN(C)C(=O)[C@H]2Cc3ccccc3S2)cs1 95376847 JPWNHRHPYCEFOL-OAHLLOKOSA-N 332.494 3.942 0 50 EHAA CC(C)n1ccnc1[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 95383571 DFTJIFVHPBIGDR-KRWDZBQOSA-N 341.455 3.639 0 50 EHAA Cc1cc(N2CCC[C@@H](CCC(=O)N(C)C)C2)nc2ccc(F)cc12 96148739 WTJSNDSCFDEVDK-HNNXBMFYSA-N 343.446 3.767 0 50 EHAA Cc1cccc(OCC(=O)N(C)[C@@H]2CCCc3nc(C)sc32)c1 110525049 IJGWSOLHDOVFMS-MRXNPFEDSA-N 330.453 3.675 0 50 EHAA CC(C)Sc1ccc([C@H](C)NC(=O)N2CC[C@H](CN(C)C)C2)cc1 129890239 CBZCGVJMOYRCLH-JKSUJKDBSA-N 349.544 3.841 0 50 EHAA CC(C)(C)c1cnc(CCC(=O)NCCc2ccc(Cl)s2)o1 170600205 LLNYYWAKGFTVTK-UHFFFAOYSA-N 340.876 3.979 0 50 EHAA CCc1n[nH]c(NCc2ccn(-c3ccccc3)n2)c1Br 170618582 GPDMDWGTXTWEIJ-UHFFFAOYSA-N 346.232 3.532 0 50 EHAA C[C@@H]1SCCN(C(=O)CCc2ccccn2)[C@H]1c1ccccc1 172364390 NXLIJJZRQICPFO-HNAYVOBHSA-N 326.465 3.719 0 50 EHAA COc1ccc(C(=O)Nc2cn(C)c(=O)cc2C)cc1-c1ccccc1 177675040 YFSLPRLCTVPQNR-UHFFFAOYSA-N 348.402 3.622 0 50 EHAA CCCc1nc(C)c(C(=O)N[C@H]2CCOc3c(F)cccc32)s1 188983528 VILVGEKVWBTWHL-ZDUSSCGKSA-N 334.416 3.797 0 50 EHAA Cc1cc([C@H]2CCCN2Cc2nn(C)c3cccc(Cl)c23)on1 214974775 FQUQDNDDPMDRAV-CQSZACIVSA-N 330.819 3.860 0 50 EHAA Cc1cc(C)n2ncc(CN(C)Cc3ccc4ccccc4n3)c2n1 216469784 KAIAUWZOZFAYHJ-UHFFFAOYSA-N 331.423 3.526 0 50 EHAA CCc1noc([C@@H](C)N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 229282137 SZHYDZNPBGKIPL-CHWSQXEVSA-N 326.400 3.714 0 50 EHAA CC(=O)[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257345650 FGDFFHLIMDMCJI-VJXHKGSHSA-N 334.500 3.566 0 50 EHAA CN(Cc1nccs1)[C@H]1CC12CCN(Cc1ccc(F)cc1)CC2 275533240 DWSXLDOCIXIFMD-KRWDZBQOSA-N 345.487 3.769 0 50 EHAA CCc1ccc(CN(C)C(=O)Nc2cc(C)nn2C2CCCC2)nc1 299771609 UXPUJPXSBVPTJT-UHFFFAOYSA-N 341.459 3.928 0 50 EHAA COc1cc(NC(=O)Cc2cccc3cccnc23)cc(OC)c1C 349383361 LQWMCGOITHETMI-UHFFFAOYSA-N 336.391 3.742 0 50 EHAA Cc1cc(C)nc(C2CCN(Cc3nc4ccc(F)cc4o3)CC2)n1 375706473 TZSDFTMPYLPFCK-UHFFFAOYSA-N 340.402 3.753 0 50 EHAA Cc1ccc(NC(=O)CC(C)C)cc1NC(=O)NC[C@H]1CCCOC1 426535898 OVFBANJRURUINX-OAHLLOKOSA-N 347.459 3.528 0 50 EHAA C[C@@]1(CNC(=O)c2csc(-c3ccccc3Cl)n2)CCCO1 446294617 BEMQDBKWEZGILZ-INIZCTEOSA-N 336.844 3.762 0 50 EHAA O=C(CCCn1cccc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 456702328 QDYLSZVWLMHBQT-SFHVURJKSA-N 336.439 3.898 0 50 EHAA C[C@@H](C(=O)NCc1ccc(C(F)(F)F)s1)[C@@H](N)c1ccccc1 877308049 CAWJNKVWXFZWDB-QMTHXVAHSA-N 342.386 3.719 0 50 EHAA CCC(=O)N1CC(C)(C)[C@H]1c1nccn1COCC[Si](C)(C)C 1456356542 FFTUNEXPJYVHHK-OAHLLOKOSA-N 337.540 3.515 0 50 EHAA O[C@@H]1C[C@@H]2CN(Cc3ccc(OCCc4ccccc4)cc3)C[C@@H]2C1 1800412012 UIWZDENFVDKPLW-WKCHPHFGSA-N 337.463 3.511 0 50 EHAA O=C(O)c1ccc2nc(C=Cc3cnn(CC(F)F)c3)ccc2c1 1857529023 AAGMHBKOKZOHAM-UHFFFAOYSA-N 329.306 3.565 0 50 EHAA Cc1c(Cl)cccc1CNC(=O)[C@H]1CC[C@H](c2ccccc2)N1 1857722359 FQOLXRNVGMEWBB-QZTJIDSGSA-N 328.843 3.758 0 50 EHAA O=C(Nc1cccc2c1OCCC2)N(Cc1nccs1)C1CC1 1875306372 CEJNERNNCROBHC-UHFFFAOYSA-N 329.425 3.665 0 50 EHAA C[C@H]1CCc2[nH]nc(C(=O)N[C@@H]3C[C@H]3c3cccc4ccccc34)c2C1 1875320535 SUUHDWFWZOPYBH-QKMWGZLOSA-N 345.446 3.974 0 50 EHAA C[C@@H](NC(=O)c1cnc(N)c(Cl)c1)c1ccc(Cl)c(F)c1 2325717727 HHENFSHUZSWDFU-SSDOTTSWSA-N 328.174 3.601 0 50 EHAA CC(C)c1cc(C(=O)N(C)Cc2cccc(N)c2)nn1C(C)(C)C 2325726991 CBZJEIKPCROJMW-UHFFFAOYSA-N 328.460 3.616 0 50 EHAA CCc1nc2c(-c3nc([C@@H]4CCCCC4(F)F)no3)ccnc2[nH]1 2325772410 PTNYCUPBBOWVHY-JTQLQIEISA-N 333.342 3.863 0 50 EHAA CN(Cc1ccc(-c2nc3ccccc3s2)o1)C[C@H]1CCNC1 2325783595 KLMYXHBWHXPBIG-ZDUSSCGKSA-N 327.453 3.598 0 50 EHAA Fc1ccc([C@@H]2CC[C@@H](n3cc(C4CCNCC4)nn3)C2)cc1F 2325788230 UPZNYFFTMCJQOO-UKRRQHHQSA-N 332.398 3.532 0 50 EHAA CCCC[C@@H]1CN(Cc2ccc(C(=O)OC)s2)C[C@H](C2CC2)O1 2356137272 VTNPIQQDIVUHPV-GDBMZVCRSA-N 337.485 3.704 0 50 EHAA S=C(Nc1ccc2nsnc2c1)N1CC[C@H](c2ccccc2)C1 270086 FJGHNWMOCBOEKI-ZDUSSCGKSA-N 340.477 3.878 0 50 EHAA O=C(Nc1ccc(Cl)cc1C(=O)NCc1ccco1)c1ccco1 384382 ATEXDWNHRIMAPR-UHFFFAOYSA-N 344.754 3.708 0 50 EHAA COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)=O)cc3)no2)cc1 423652 WDINWOZDIKMRPA-UHFFFAOYSA-N 336.347 3.805 0 50 EHAA C[C@H]1c2[nH]c3ccccc3c2CCN1C(=S)NC(=O)c1ccccc1 462537 OIYCJIFAEJFGNQ-ZDUSSCGKSA-N 349.459 3.802 0 50 EHAA CCOc1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 617868 XRVLCICDMAZZLO-UHFFFAOYSA-N 344.455 3.722 0 50 EHAA COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c2ccccc12 618758 DZXVSDXGQKQYCW-AWEZNQCLSA-N 341.432 3.888 0 50 EHAA O=C(NC[C@@H]1CCCNC1)OCC1c2ccccc2-c2ccccc21 2585704 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CCC[C@@H](C)c1nnc(NC(=O)Cc2ccc(OC)cc2OC)s1 55369894 BOYNKIILZPJMFI-LLVKDONJSA-N 349.456 3.640 0 50 EHAA CC(C)=CC(=O)NC[C@H]1CCN(Cc2[nH]c3ccc(C)cc3c2C)C1 67818989 RHVFJKYWCFHOIB-QGZVFWFLSA-N 339.483 3.689 0 50 EHAA CC(=O)NCC[C@H]1CCCN(Cc2oc3ccc(C)cc3c2C)C1 67895851 SBEDCYFIDKSDDQ-QGZVFWFLSA-N 328.456 3.788 0 50 EHAA O=C(Cc1ccc(O)c(Cl)c1)N1CCC[C@H](Nc2ccccc2)C1 72140341 LLDCGDDENKCLLX-INIZCTEOSA-N 344.842 3.691 0 50 EHAA Cn1c([C@H]2c3nc[nH]c3CCN2Cc2ccco2)cc2ccccc21 72152385 QFADXKIGBRMYKC-FQEVSTJZSA-N 332.407 3.642 0 50 EHAA CC(C)Nc1ncc(-c2nccn2-c2ccc(F)c(F)c2F)cn1 72432206 YWXCQVDMBGUAOL-UHFFFAOYSA-N 333.317 3.567 0 50 EHAA CCOC(=O)c1cc(Cl)cc(Cl)c1I 84147770 MFQGEKJJKUWWHN-UHFFFAOYSA-N 344.963 3.775 0 50 EHAA Cc1ccc(C(NOCC(=O)O)(c2ccccc2)c2ccccc2)cc1 95483739 GDEFZEWNSNQNAH-UHFFFAOYSA-N 347.414 3.893 0 50 EHAA Cc1[nH]cnc1CNC(=O)C[C@@H](c1ccccc1)c1ccccc1F 95505545 DVJOWSXPPXAXTL-KRWDZBQOSA-N 337.398 3.696 0 50 EHAA CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Cc2ccccc2)c1 95523147 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340.448 3.991 0 50 EHAA COc1ccc(CCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 6726210 VTORUAKFNRAGFQ-AWEZNQCLSA-N 343.423 3.522 0 50 EHAA CCOc1ccccc1C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 6741632 XJFBZMPVFUMSQJ-ZDUSSCGKSA-N 329.396 3.594 0 50 EHAA Cc1nc(CCN(Cc2ccc(F)cc2)C2CCOCC2)cs1 225843818 RHWHCQPMFXLEDN-UHFFFAOYSA-N 334.460 3.814 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)Cc2c(C)cc(C)c(CO)c2C)c1 55243760 AZJFLKUPZNLANM-QGZVFWFLSA-N 326.484 3.871 0 50 EHAA CCNc1nc(C)c(C(=O)N(Cc2ccccc2OC)C2CC2)s1 55211325 GXMXIPKLIKSRDU-UHFFFAOYSA-N 345.468 3.697 0 50 EHAA COc1ccc(CN2CC[C@]3(CCCN(CC4CCC4)C3)C2)cc1 55154506 PMDSZRWYODIVQC-NRFANRHFSA-N 328.500 3.783 0 50 EHAA Cc1ccccc1NC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 20418839 VXZWZSIHLUJSJB-UHFFFAOYSA-N 343.858 3.998 0 50 EHAA O=C(CCN1CCCC[C@H]1c1ccc(F)cc1)NCc1ccco1 65371158 KTGQYVAGBXAITC-SFHVURJKSA-N 330.403 3.652 0 50 EHAA CCn1cc(-c2cc(C(=O)N(C)C(C)C)c3cccc(C)c3n2)cn1 63848349 VDJNPVXVGWABJG-UHFFFAOYSA-N 336.439 3.907 0 50 EHAA O=C(c1cccc(F)c1Cl)N1CC2(CCC2)[C@@H]1C1CCOCC1 425121930 MZZFBCXXXMMHFR-INIZCTEOSA-N 337.822 3.900 0 50 EHAA Cc1csc(C2(NCc3nnc(C4CC4)n3C3CC3)CCCC2)n1 125908436 HBQQGKMRSFDGKD-UHFFFAOYSA-N 343.500 3.814 0 50 EHAA Cc1ncnc(N2CCC(CO)(Cc3ccccc3Cl)CC2)c1C 67817238 ODDSMAKSYJGPJV-UHFFFAOYSA-N 345.874 3.568 0 50 EHAA Cc1ccc(CC[C@H](C)NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)o1 253419242 IEVYNDXBGZEVQM-YVEFUNNKSA-N 344.459 3.796 0 50 EHAA COc1cccc([C@H]2CCCN2C(=O)CCc2cc(Cl)no2)c1 77455402 XHCWAJGPVZTDBC-OAHLLOKOSA-N 334.803 3.633 0 50 EHAA CCc1nc(C)c(C(=O)N2CCC[C@@H](COc3cccc(C)c3)C2)o1 77553854 JVMVBRXDTMENGH-MRXNPFEDSA-N 342.439 3.785 0 50 EHAA O=C(Nc1nc(-c2cccnc2)cs1)c1ccn(C2CCCC2)n1 153282964 QINNGXVXFCZJHB-UHFFFAOYSA-N 339.424 3.769 0 50 EHAA CCOC1(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CCCC1 284168058 KGAJFSRUXRWLPV-QZTJIDSGSA-N 349.446 3.854 0 50 EHAA Cc1ocnc1CNC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 333042907 FOYKAYBTFVUFGA-NSHDSACASA-N 348.472 3.912 0 50 EHAA Cn1cccc1C(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 71479522 BYGFRZXMINJYNV-CQSZACIVSA-N 332.394 3.788 0 50 EHAA COc1cnc(CN2CCC[C@H](CCc3ccccc3F)C2)cc1O 72165585 FGQRADUSWQMHNK-OAHLLOKOSA-N 344.430 3.780 0 50 EHAA CCCN1[C@H]2CC[C@H]1CC(C(=O)NC[C@H]1CCCc3ccccc31)C2 240423801 FRAUBBQVRKDGDZ-HOJAQTOUSA-N 340.511 3.876 0 50 EHAA Clc1cccc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1 49544768 KBOYPSISOPTYIE-UHFFFAOYSA-N 347.875 3.882 0 50 EHAA CCC[C@@H]1CN(Cc2ccc(Cl)cc2Cl)C[C@H]1NC(C)=O 82091885 AYFBDCYKYAPBQS-CZUORRHYSA-N 329.271 3.730 0 50 EHAA Cc1ncsc1CCC(=O)NCCCn1ccc2ccccc21 82138311 LVVFUNBYALXAHE-UHFFFAOYSA-N 327.453 3.545 0 50 EHAA COc1ccc(-c2ccc(C(=O)N3CCC[C@H](CO)C3)cc2)c(C)c1 426487283 CHJHPOSKPBOMPY-INIZCTEOSA-N 339.435 3.515 0 50 EHAA CCCN(C(=O)CCc1ccc(-c2ccccc2F)o1)[C@H]1CCNC1 178905014 FONPSCQOUGFLDY-HNNXBMFYSA-N 344.430 3.619 0 50 EHAA O=C(CN1C2=NCCCCN2c2ccccc21)c1ccc(Cl)cc1 334163174 NGCLHRMBATVSIP-UHFFFAOYSA-N 339.826 3.999 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 239296742 DDYUTCUZZQMLEM-MUAIWGBPSA-N 334.202 3.551 0 50 EHAA C[C@@]1(c2ccccc2)CCCN(Cc2nnc(-c3cccnc3)o2)C1 95522110 OHPHRKNKFWZYPA-HXUWFJFHSA-N 334.423 3.685 0 50 EHAA CCCOc1c(Cl)cccc1NC(=O)NCc1c(C)n[nH]c1C 96131001 MHYZZSRALBVWTK-UHFFFAOYSA-N 336.823 3.790 0 50 EHAA COCc1ccc(C(=O)N2CCC(c3nccn3C(C)C)CC2)s1 95501321 OXDMMUPKZSRGIA-UHFFFAOYSA-N 347.484 3.692 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)NC[C@@H](C)n1ccnc1 95519720 VTTAHQMTPJMMEQ-CYBMUJFWSA-N 330.432 3.572 0 50 EHAA Cc1cc(C)cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)c1 91755695 JOWNECJWDYHGSY-UYAOXDASSA-N 326.484 3.640 0 50 EHAA Cc1nc(CCN2CCC[C@@H]2c2nc3ccccc3n2C)cs1 244873239 WMJGJIAPSDLGDJ-QGZVFWFLSA-N 326.469 3.718 0 50 EHAA COc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2C)cc1Cl 824716470 JBFQBKSAOUMCGI-UHFFFAOYSA-N 346.814 3.611 0 50 EHAA CC1(C)CC[C@H](NC(=O)CCCn2cncn2)[C@@H](c2ccccc2)C1 871219455 CGKVQGCYMDTTJK-MSOLQXFVSA-N 340.471 3.537 0 50 EHAA Cc1ccc2nc(-c3ccco3)cc(C(=O)N[C@@H]3[C@H]4CCOC[C@@H]43)c2c1 1875278644 QZTNSLABFOURBO-ZSOFBXJNSA-N 348.402 3.568 0 50 EHAA O=C(O)[C@H]1C=CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 1775956395 VCDGXTGHQJFERB-LJQANCHMSA-N 349.386 3.651 0 50 EHAA O=S(=O)(c1cncc(Cl)c1)N(c1ccccc1)C1CCCC1 677239595 UVEVOZUHFMXCRD-UHFFFAOYSA-N 336.844 3.873 0 50 EHAA Oc1nc2ccccc2cc1CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 275472705 HTZCBZWHAONCHR-LJQANCHMSA-N 348.450 3.879 0 50 EHAA CCS(=O)(=O)c1ccc(N2CCC[C@H]2c2cccc(C)n2)cc1 170604509 ORYWWCUOYZACEP-SFHVURJKSA-N 330.453 3.525 0 50 EHAA COc1ccccc1[C@H](NC(=O)c1cnn(C(C)C)c1)c1ccco1 189701788 FPOCOUNRZUYGLT-SFHVURJKSA-N 339.395 3.585 0 50 EHAA Fc1ccc(-c2cc(CN[C@@H]3CCN(c4ccccc4)C3)on2)cc1 1506427278 KQXYSPMMLXHZIA-QGZVFWFLSA-N 337.398 3.849 0 50 EHAA CCn1cc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cn1 11841461 DOTUHSJRYLIXSZ-MRXNPFEDSA-N 331.847 3.651 0 50 EHAA CC(=O)c1cccc(CN2CCC[C@H](CCC(=O)N3CCCC3)C2)c1 11844474 FTGBRKBEXANCDO-GOSISDBHSA-N 342.483 3.504 0 50 EHAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2ccoc2)C1 14977048 LTHKNFTVTRNKJO-KRWDZBQOSA-N 335.407 3.909 0 50 EHAA O=C(CC1CCNCC1)N[C@H](c1ccc(Cl)cc1)c1cccs1 237785413 QCEPFZSEHGOYST-GOSISDBHSA-N 348.899 3.997 0 50 EHAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1nnc(-c2ccsc2)o1 241124341 JHMFNFDVGIDNEK-VNHYZAJKSA-N 345.468 3.910 0 50 EHAA C[C@@]1(CNC(=O)c2ccc3nc(-c4ccccc4)oc3c2)CCCO1 476307144 HEPPXEAETCXTOL-FQEVSTJZSA-N 336.391 3.794 0 50 EHAA COCc1ccc([C@H]2COCCN2C(=O)c2sccc2C2CC2)o1 906229247 KKVRYXGIYQOGNQ-OAHLLOKOSA-N 347.436 3.579 0 50 EHAA O=C(c1ccnc2cc(Cl)ccc12)N1[C@H]2CC[C@H]1CC(CCO)C2 828695355 DZRJHEMYARITGY-GJZGRUSLSA-N 344.842 3.654 0 50 EHAA Cn1ccc([C@@H]2CCCN(C(=O)c3c[nH]c4cc(Cl)ccc34)C2)n1 928190426 GVJMYXBCZPSCGG-GFCCVEGCSA-N 342.830 3.575 0 50 EHAA NC[C@]12CCCC[C@H]1CN(C(=O)c1cc(Cl)cc(Cl)c1)C2 2325774897 DNOXVPLMUWBMQC-LRDDRELGSA-N 327.255 3.585 0 50 EHAA CC(C)c1cc(Cl)ccc1NC(=O)c1cnn2ccc(CN)cc12 2325855784 OOZUGNFHJFXXQM-UHFFFAOYSA-N 342.830 3.822 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(C)c1 382073 ODKBIFZCHFWJJG-KRWDZBQOSA-N 336.435 3.912 0 50 EHAA 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341.405 3.911 0 50 EHAA O=C1C[C@H](c2ncc(-c3cccnc3)[nH]2)CN1c1cccc(Cl)c1 20913953 YVEFTJWLWOJFGM-ZDUSSCGKSA-N 338.798 3.646 0 50 EHAA CCOC(=O)C1CCN(c2cc(C)c3cc4c(cc3n2)CCC4)CC1 23634293 ORTMUEXBNNVESN-UHFFFAOYSA-N 338.451 3.811 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N(Cc1ccccc1)C[C@H](C)CO 55284866 LFMXGISKYJNNKJ-AWEZNQCLSA-N 346.496 3.846 0 50 EHAA CCc1nc(C)c(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)[nH]1 55413286 SZEQMECIFZBLEZ-QGZVFWFLSA-N 331.435 3.601 0 50 EHAA CC[C@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ncnn1CC 72151894 XLPXBJFSZIXXSU-HNNXBMFYSA-N 347.426 3.571 0 50 EHAA Cc1ccc2nc([C@H](NC(=O)c3cnn(C(C)C)c3)C(C)C)[nH]c2c1 77457294 HSKNLUNBEXYVOM-QGZVFWFLSA-N 339.443 3.776 0 50 EHAA Cc1ccc(Cl)cc1C(=O)N1CCC[C@H](OCc2cccnc2)C1 82126727 UNMVPNBDXNXETE-KRWDZBQOSA-N 344.842 3.865 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 91690879 IGFRLYGEIAOWOF-LBPRGKRZSA-N 335.810 3.715 0 50 EHAA Cc1cc2cc(C(=O)N3CCc4ccccc4[C@H]3CC(=O)O)ccc2o1 95505429 WUKGQPVZWZSNCB-GOSISDBHSA-N 349.386 3.956 0 50 EHAA CCCOC[C@@H]1CCN(C(=O)Nc2ccccc2OC(F)(F)F)C1 95512523 KHGLJUSDZPZYOP-GFCCVEGCSA-N 346.349 3.866 0 50 EHAA Cc1cc(C)n(C2CN(Cc3ccc([C@H]4CCCCO4)s3)C2)n1 97137554 FCPBAFWAMGHDCK-QGZVFWFLSA-N 331.485 3.860 0 50 EHAA CCCc1cc(C(=O)NCCOc2ccccc2-c2ccccc2)[nH]n1 109213779 PJHZWVDWHONPJW-UHFFFAOYSA-N 349.434 3.838 0 50 EHAA Cc1ccc2cccc(C(=O)N3CCC[C@@H]3c3c(C)nn(C)c3C)c2n1 133040130 JGHJDZBNQVHBAU-GOSISDBHSA-N 348.450 3.871 0 50 EHAA C[C@H](O)c1ccc(CNC(=O)c2ccc(F)cc2C(F)(F)F)cc1 178521299 QHENZWOXZHCWRU-JTQLQIEISA-N 341.304 3.828 0 50 EHAA CCC[C@H](CN1CCN(CC2CCOCC2)CC1)c1ccccc1 180228390 WRXULNOPDJQHSM-OAQYLSRUSA-N 330.516 3.615 0 50 EHAA Cc1cc(NC(=O)Nc2ccccc2C[S@@](C)=O)c(C)c(C)c1O 190283471 MEZIBBTWLANXEL-XMMPIXPASA-N 346.452 3.840 0 50 EHAA Cc1cc(C(=O)N(C)C/C=C/c2ccc(Br)cc2)on1 225388225 DBAJFFZHCFYJNS-ONEGZZNKSA-N 335.201 3.531 0 50 EHAA COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](c3nccs3)C2)c1 229608413 YDMUJBXYAXYQBF-HYVNUMGLSA-N 342.464 3.661 0 50 EHAA CC(C)c1cc(Br)ccc1NC(=O)C1CCNCC1 236711397 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336.838 3.599 0 50 EHAA COc1ccc(Cl)cc1C(=O)Nc1c(C)ccc2nsnc12 97689 KNWBRFPEIDUNHG-UHFFFAOYSA-N 333.800 3.914 0 50 EHAA CC(C)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1 308513 DHJTUJFNFPVBIW-UHFFFAOYSA-N 326.465 3.746 0 50 EHAA COc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccccc1 359843 QJJVVSBXYWLXLA-UHFFFAOYSA-N 349.858 3.788 0 50 EHAA CCN(CC)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 464397 GEPGBYOXYOWZJY-UHFFFAOYSA-N 330.259 3.577 0 50 EHAA Cc1nnc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)s1 1773524 DCRPMFYOSYJFIB-UHFFFAOYSA-N 333.457 3.942 0 50 EHAA Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 4302867 FABLAHMQSQFDHR-UHFFFAOYSA-N 331.371 3.693 0 50 EHAA in-vitro CCCCC(=O)Nc1cc(-c2nn3c(CC)nnc3s2)ccc1C 4556472 YIIMKEIMAHQVEJ-UHFFFAOYSA-N 343.456 3.852 0 50 EHAA Cc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)NC2=S)cc1C 4802537 WPCCRJJABNARKA-YBEGLDIGSA-N 326.396 3.705 0 50 EHAA CC(C)(C)C(=O)NC(=S)Nc1ccc(Cc2ccncc2)cc1 4842737 JTAITUFLRFKVAU-UHFFFAOYSA-N 327.453 3.532 0 50 EHAA Cc1cc(Cl)cc(Br)c1OCCNC[C@@H]1CCCO1 4870151 DQOZTKHUZLYITD-LBPRGKRZSA-N 348.668 3.558 0 50 EHAA O=C(Nc1ccccc1Br)C(=O)c1c[nH]c2ccccc12 6702218 UGCOSWMSUUQTAL-UHFFFAOYSA-N 343.180 3.752 0 50 EHAA CC1CCN(C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 10460603 CBTNUYFWDUHPGX-UHFFFAOYSA-N 340.398 3.950 0 50 EHAA Cc1ccc(-c2cccc3c2O[C@H](CNC(=O)[C@H]2CC=CCC2)C3)nc1 12509462 ZHAKVTRJLUBCES-WMZOPIPTSA-N 348.446 3.833 0 50 EHAA COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(CCCSC)C1 15075238 PTWNGAATKDXXDR-ZDUSSCGKSA-N 341.904 3.996 0 50 EHAA COc1cccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)c1 16578653 ZXRJXKMOWZTNJY-UHFFFAOYSA-N 343.770 3.580 0 50 EHAA C[C@H](Cn1ccc(C(F)(F)F)n1)NC(=O)Nc1ccc(Cl)cc1 20606777 KGJUTVDEJVONQH-SECBINFHSA-N 346.740 3.766 0 50 EHAA COc1ccc(-c2nc([C@@H]3CC(=O)N(C4CCCC4)C3)[nH]c2C)cc1 23337429 XLXHUASUHDZAQT-OAHLLOKOSA-N 339.439 3.652 0 50 EHAA CC(=O)Oc1c(C)cc(CN(C)[C@@H](C)Cc2cc(C)ccn2)cc1C 55358899 JLJCANRTMPVOCS-KRWDZBQOSA-N 340.467 3.995 0 50 EHAA CCCc1cc(CN(C)C(=O)CCSCc2ccc(F)cc2)n[nH]1 55387027 IKGCICVFZLBODQ-UHFFFAOYSA-N 349.475 3.783 0 50 EHAA CC(=O)Nc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 55543642 QKDIVYPBFAIWNQ-UHFFFAOYSA-N 343.858 3.621 0 50 EHAA Cc1ccncc1C(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65405326 AFOJGLOMHVBVSI-OAQYLSRUSA-N 334.419 3.861 0 50 EHAA COc1ccc(CN(C)C(=O)c2cccc(CCC(C)(C)O)c2)cc1 72430021 CFEADIGDSJSCAH-UHFFFAOYSA-N 341.451 3.671 0 50 EHAA Cc1nc(CCCn2ccnc2-c2ccccc2C(=O)O)sc1C 77354722 FVRDOBGFLJGSBK-UHFFFAOYSA-N 341.436 3.954 0 50 EHAA c1ccc(Cn2cccn2)c(CN2CCCC[C@H]2CCn2ccnc2)c1 77406559 LPKZXBXRUOFEHC-NRFANRHFSA-N 349.482 3.573 0 50 EHAA Cc1nc([C@@H](C)n2cc(-c3cccc(-n4cccn4)c3)nn2)cs1 91793954 MSNHPOIGDUKEHH-GFCCVEGCSA-N 336.424 3.505 0 50 EHAA CNc1ccnc(N[C@@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)n1 91965036 CIMHQQGOLVYPDU-QGZVFWFLSA-N 348.454 3.810 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](c3ccc(C(=O)O)cc3)C2)c(C)o1 95354479 XXXDQPYUFCZHJH-INIZCTEOSA-N 327.380 3.614 0 50 EHAA CN1CCN(C(=O)c2ccnc(-c3ccc(C4CCCC4)cc3)c2)CC1 97514187 WLONPTCQBNDMDY-UHFFFAOYSA-N 349.478 3.794 0 50 EHAA O=C(NCC[C@H]1CCCN1)Nc1ccc(Oc2ccccc2F)cc1 97532775 VAEMEFFHOKCBCX-CQSZACIVSA-N 343.402 3.882 0 50 EHAA CC(C)[C@H](N)C(=O)NCc1ccccc1COc1ccccc1Cl 161694575 DAMCIRWFIOTRJS-SFHVURJKSA-N 346.858 3.519 0 50 EHAA CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc2nc(S)oc2c1 170642135 ZAEDREWFHFHELX-ZDUSSCGKSA-N 334.441 3.538 0 50 EHAA CC[C@@H](NC(=O)[C@H](N)CC(C)C)c1ccc(OC2CCCC2)cc1 170677668 SDVGMVDVKJFBGU-RTBURBONSA-N 332.488 3.949 0 50 EHAA Cc1nnc(CC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)o1 171301926 QOOGVDJBQZXYAG-FQEVSTJZSA-N 347.374 3.573 0 50 EHAA C[C@H](CNC(=O)c1cc(F)cc2nccnc12)c1ccc(F)cc1F 174333831 BCXGOPILNGFVTH-SNVBAGLBSA-N 345.324 3.581 0 50 EHAA CC(C)Cc1ccc(C(=O)C2CCN(Cc3cncnc3)CC2)cc1 179835123 BVBBUUWZSRKZTH-UHFFFAOYSA-N 337.467 3.770 0 50 EHAA O=C(CSC[C@@H]1CCCCO1)Nc1ncccc1-c1ccccc1 181416715 PPWJTRXKYIOFAY-INIZCTEOSA-N 342.464 3.989 0 50 EHAA CSc1ccsc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C 187243301 SFWQNYDVNRUVPA-WFASDCNBSA-N 334.510 3.891 0 50 EHAA COc1ccccc1N1CCC(N[C@H]2CCCc3occc32)CC1 192785074 BXDXKOCBPQHJCE-KRWDZBQOSA-N 326.440 3.924 0 50 EHAA C[C@@H]1COCC[C@H]1C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 194002477 COBIXBOSXLVRJY-BXUZGUMPSA-N 343.345 3.537 0 50 EHAA O[C@H]1CN(CCCC2CCCC2)CC[C@@H]1c1ccc2c(c1)OCO2 212295694 TZJQNYGQGBQDNH-MSOLQXFVSA-N 331.456 3.536 0 50 EHAA Cc1cc(C)n2ncc(CN3CC[C@H](c4cccc(Cl)c4)C3)c2n1 215856674 NREVFVJBNFAWNL-INIZCTEOSA-N 340.858 3.989 0 50 EHAA COc1cccc2c1OCC(C(=O)OC[C@H]1CCCC(F)(F)C1)=C2 225732074 JGKJWCSDKNYPQZ-LBPRGKRZSA-N 338.350 3.840 0 50 EHAA CC1=C(c2ccccc2)[C@H]1C(=O)NCc1nc(-c2ccccc2F)no1 244626541 FNOGZCYQBTVTDO-SFHVURJKSA-N 349.365 3.595 0 50 EHAA C[C@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 245938034 STLGTVTVNMCEFL-HEHGZKQESA-N 345.468 3.738 0 50 EHAA Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccccc1F 248054149 SAXHZCYCMOPFEV-BQFCYCMXSA-N 341.430 3.643 0 50 EHAA CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H](c1ccccc1)C(C)C 253410545 HRIIUUWMSVNZPB-LJQANCHMSA-N 338.451 3.549 0 50 EHAA Cc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)cn2)o1 265280766 OVASFTTWDDXFHG-CYBMUJFWSA-N 335.201 3.723 0 50 EHAA CC(C)c1cc(NC[C@@H]2CCO[C@H]2c2ccnn2C)nc(C(C)C)n1 275652919 ULFLZYDSICCLAJ-KBXCAEBGSA-N 343.475 3.647 0 50 EHAA COc1ccccc1[C@H]1CCC[C@@H](C)N1C(=O)c1snnc1C 288758894 HRWINFSIVFUZHM-BXUZGUMPSA-N 331.441 3.611 0 50 EHAA Cc1ccc(-c2nc(CN3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)co2)cc1 299741406 FRUVONBODMJEOH-NXHRZFHOSA-N 340.423 3.868 0 50 EHAA O=C(NC[C@@H]1Cc2cccc(-c3ccccn3)c2O1)C1=CCCCC1 299754901 BTVPNCXJBDFJKC-KRWDZBQOSA-N 334.419 3.669 0 50 EHAA CCSCCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCC1 299771928 XYBRBJWBGTUPDI-INIZCTEOSA-N 340.920 3.736 0 50 EHAA CN(CC[C@H]1CCCCO1)C(=O)Nc1ccc(OC(F)F)cc1 299774254 AYEJFIPCLOMWLR-CYBMUJFWSA-N 328.359 3.711 0 50 EHAA O=C(O)[C@]12CC[C@H](c3ccccc3)C[C@H]1CN(Cc1ccncc1)C2 299788562 RAGLVQYYPIGIGK-ZJOUEHCJSA-N 336.435 3.552 0 50 EHAA C[C@H](NC(=O)c1cccc2c1OCC2(C)C)c1ccc(Cl)cn1 331797868 PVRCFKDZMKDEMZ-NSHDSACASA-N 330.815 3.896 0 50 EHAA CC(C)N(C(=O)c1cnnn1C)c1ccc(Nc2ccccc2)cc1 408515697 DUTJYVPIBWFEIG-UHFFFAOYSA-N 335.411 3.614 0 50 EHAA COc1ccc2c(C(=O)N[C@@H](C)c3csc(C)n3)cc(C)nc2c1 426535315 YQKBJAIOGZSKEJ-NSHDSACASA-N 341.436 3.808 0 50 EHAA C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)c1cccc(N2CCOCC2)c1 427896769 WHYJQBWRKRTLJM-HZPDHXFCSA-N 340.471 3.864 0 50 EHAA COc1cc(C)nc(N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 490094303 OXCHVDVSSVZQHJ-CYBMUJFWSA-N 344.484 3.513 0 50 EHAA CC1(C)CC(NC(=O)Nc2cccc3c2CN(c2ccccn2)C3)C1 666453325 BKQBXTMOYBPGPN-UHFFFAOYSA-N 336.439 3.912 0 50 EHAA CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)(F)F)ccc1Cl 670469150 WDASLCMFUVEPDU-NEPJUHHUSA-N 346.780 3.668 0 50 EHAA O=C(N[C@H](CO)c1cccnc1)c1csc(C2CCCCC2)c1 822971423 DAZKJQHHTWNRHH-MRXNPFEDSA-N 330.453 3.654 0 50 EHAA Cc1cccc(-n2nc(C(C)C)nc2[C@@H]2CC(=O)Nc3ccccc32)n1 828320635 WXQSSOOHUMXJDZ-OAHLLOKOSA-N 347.422 3.568 0 50 EHAA C[C@H](Nc1ccc(N2CCN(C)CC2)cc1)c1ccc(C(F)F)nc1 850455825 RRXSPWBEZBMAFR-AWEZNQCLSA-N 346.425 3.944 0 50 EHAA CC(C)c1ccccc1C(=O)NC[C@H](C(=O)O)c1ccc(F)cc1 851604854 FITBHAHNRLCIPM-KRWDZBQOSA-N 329.371 3.547 0 50 EHAA CC(C)(C)C(=O)C(=O)Nc1cnc(Br)c2ccccc12 857650478 BNEUYBIOWZULFZ-UHFFFAOYSA-N 335.201 3.551 0 50 EHAA Cc1cc([C@@H](C)NC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)oc1C 886094657 BSIWRYKSUFMYEG-FXHACXQTSA-N 331.460 3.675 0 50 EHAA O=C(Cn1ccc2ccc(F)cc21)NCCCn1ccc2ccccc21 1135889519 MCUPCGIAUPCLKQ-UHFFFAOYSA-N 349.409 3.942 0 50 EHAA C[C@H](C1CC1)n1cc(NCc2cc3ccc(F)cc3nc2O)cn1 1474121738 GYLMNDBTSXPIKY-LLVKDONJSA-N 326.375 3.859 0 50 EHAA COCCN1CCC[C@H](CNc2cc(C)c3cc(Cl)ccc3n2)C1 1506404325 SXWIDZWSTMURFQ-OAHLLOKOSA-N 347.890 3.967 0 50 EHAA CC[C@H]1C[C@@H](O)CC2(CCN(c3nc4ccccc4s3)CC2)O1 1857697893 AOJNHGXYQBTMER-KGLIPLIRSA-N 332.469 3.585 0 50 EHAA O=C(NC[C@H](c1ccc(Cl)cc1)n1ccnc1)N1CCCCCC1 1875270100 IITJDFBJYNKOGI-QGZVFWFLSA-N 346.862 3.712 0 50 EHAA CSc1ccc(OC(=O)c2cccc(N=c3cncc[nH]3)c2)cc1 2325734568 KDEKHYOLVHDJPA-UHFFFAOYSA-N 337.404 3.583 0 50 EHAA CCO[C@@H](C)c1nc(CN(C)c2nc3ncccc3nc2C)cs1 2325775154 BYAIPPRWOZBYSM-LBPRGKRZSA-N 343.456 3.524 0 50 EHAA CCOC(=O)c1oc(N2CCC[C@H]2c2cc(F)ccc2F)nc1C 2325780718 KEBVCGPNCLUUOG-AWEZNQCLSA-N 336.338 3.779 0 50 EHAA O=C(NCc1ccc2sccc2c1)c1ncoc1[C@@H]1CCCCN1 2325801565 NMTNQFGDYQRVPC-AWEZNQCLSA-N 341.436 3.634 0 50 EHAA Cc1ccc2cc(C(=O)N3Cc4ccccc4[C@H](N)C3)c(C)nc2c1 2325859310 UUGXNDLOBOXWHZ-LJQANCHMSA-N 331.419 3.507 0 50 EHAA CCCN1CCC[C@@]2(CCCN2C(=O)c2cc(C)cc(Cl)c2)C1=O 2356151601 PNCOQOJVGZNBJQ-LJQANCHMSA-N 348.874 3.656 0 50 EHAA COc1ccc([C@H](C)CC(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1 406268 PMOZEEBUJLHYNC-KDOFPFPSSA-N 339.391 3.909 0 50 EHAA COc1ccc(N[C@@H]2CC(=O)N(c3cccc4ccccc34)C2=O)cc1 1062213 ZCPBDHKJQIWFOF-GOSISDBHSA-N 346.386 3.592 0 50 EHAA O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1ccc2c(c1)OCO2 1432860 CSEHZWKCZYSJDJ-UHFFFAOYSA-N 349.268 3.563 0 50 EHAA CCOc1cc(C(=O)N2CCc3ccccc3C2)ccc1OC(F)F 2796731 YAHYPXSLDKKIBO-UHFFFAOYSA-N 347.361 3.885 0 50 EHAA O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1 2800832 BSMVAPZVPMCVLC-UHFFFAOYSA-N 349.261 3.885 0 50 EHAA O=C(Cc1cccs1)Nc1nnc(Cc2ccc(F)cc2)s1 2846855 YVFXEADDHVKXSI-UHFFFAOYSA-N 333.413 3.511 0 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CC1=CC[C@@H]2CN(c3ncccc3C(=O)N3CCCCC3)C[C@@H]2C1 72154940 XGMVJGYYLLBATF-SJORKVTESA-N 325.456 3.500 0 50 EHAA COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O 72194307 ITSMIXTWNSEZAQ-UHFFFAOYSA-N 331.412 3.550 0 50 EHAA Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3occc3c2)C[C@H]1C(=O)O 91829457 ZBTUDWCECDQGMW-ZWKOTPCHSA-N 349.386 3.682 0 50 EHAA CN(C)[C@@H](C(=O)NCCCSc1ccccc1)c1ccccc1F 92028569 VWYSHNZORODWCQ-GOSISDBHSA-N 346.471 3.727 0 50 EHAA CCN(CCn1cccn1)C(=O)Nc1c(F)cccc1C(F)(F)F 96166836 PVZBDWKRWDEEGX-UHFFFAOYSA-N 344.312 3.595 0 50 EHAA COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1Cl 113153106 KDHKOPYYWOHESS-UHFFFAOYSA-N 345.157 3.572 0 50 EHAA CCc1ccc(-c2noc(CN3CCC(=O)Nc4ccccc43)n2)cc1 118845584 NCPZTCQNQFCGJV-UHFFFAOYSA-N 348.406 3.648 0 50 EHAA Cc1cc(C)c(NC(=O)c2cnn(-c3ccccc3F)c2C)c(C)n1 121120303 DZTZOOVGUYWEKH-UHFFFAOYSA-N 338.386 3.892 0 50 EHAA Cc1noc(C)c1[C@H](C)CC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 156966804 PNMCOHZUWSHCEH-QWQRMKEZSA-N 342.439 3.774 0 50 EHAA C[C@H](N[C@@H]1CCCC[C@H]1C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 170616904 GVTNLEHKSHDTKK-JKIFEVAISA-N 326.444 3.572 0 50 EHAA COc1cccc2c1N(C(=O)c1sc([C@@H](C)OC)nc1C)CCC2 175521206 VBBZBHICNQYBLQ-GFCCVEGCSA-N 346.452 3.761 0 50 EHAA CNC[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)C1 178992370 QLLDHTNAVWIATG-CQSZACIVSA-N 344.405 3.622 0 50 EHAA COc1ccccc1-c1nc(CN2CCC[C@H]2C(C)(C)O)cs1 179431326 LPLYWGDPQYPAAI-INIZCTEOSA-N 332.469 3.554 0 50 EHAA C[C@H](c1cnn(C)c1)N(C)Cc1csc(COc2ccccc2)n1 180985741 VRLBVNBBQXQWLE-CQSZACIVSA-N 342.468 3.649 0 50 EHAA CCn1c(C)cc(C(=O)N2CCSC[C@H]2c2nccs2)c1C 184152960 ILZHGCHJMUTWCX-AWEZNQCLSA-N 335.498 3.512 0 50 EHAA CCC1=C(C(=O)Nc2nc3c(OC)cc(F)cc3s2)CCCO1 191516553 RRYOABBEUHCVRC-UHFFFAOYSA-N 336.388 3.857 0 50 EHAA O=C(C[C@H]1CCCO1)Nc1c(-c2cccs2)nc2ccccn12 195431534 CVLXTHFVEYGESQ-GFCCVEGCSA-N 327.409 3.570 0 50 EHAA CCC[C@@H]1C[C@@H]1C(=O)N1CCC(n2cc(C3CCCCC3)nn2)CC1 208502169 UOUCPJJEWFOXMK-AEFFLSMTSA-N 344.503 3.926 0 50 EHAA Cc1cc(C)c(C(=O)CN2CCN(C3CCCCC3)CC2)cc1C 220966003 GYZRPVQZAPAQPQ-UHFFFAOYSA-N 328.500 3.745 0 50 EHAA CCCn1nc(C)c(CNc2nnc(-c3ccccc3C)o2)c1C 225430169 QAVNRRDTCDONOE-UHFFFAOYSA-N 325.416 3.880 0 50 EHAA CCCc1nsc(NC(=O)c2csc(-c3ccc(C)o3)n2)n1 225533867 RNEKUPALUKPKIF-UHFFFAOYSA-N 334.426 3.768 0 50 EHAA CCC(=O)Nc1ccc([C@H](C)NC(=O)N2C[C@@H]3CC=CC[C@H]3C2)cc1 240333503 FDRCCGHMWKZMQL-XIRDDKMYSA-N 341.455 3.704 0 50 EHAA CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H](C)c1ncon1 242302099 YPNNXYZILAHQPS-PWSUYJOCSA-N 341.333 3.535 0 50 EHAA Cc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)nn1 243311291 LHVMPIWARLPICS-UHFFFAOYSA-N 344.418 3.600 0 50 EHAA CC(=O)[C@]1(O)[C@@H](C)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 253500269 RGHGKGRVFXQGOV-OSRBDMPUSA-N 348.527 3.956 0 50 EHAA CCOC1CCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 299786847 NZXHMEUOWQTJJT-UHFFFAOYSA-N 341.411 3.907 0 50 EHAA COCC1(C2CCC2)CN(C(=O)N[C@H]2CCCc3c(F)cccc32)C1 664973974 JTRRPCYWHMRLBG-SFHVURJKSA-N 346.446 3.661 0 50 EHAA CCn1ccnc(Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)c1=O 773225226 ICFBCALNTJSCKU-LJQANCHMSA-N 349.434 3.673 0 50 EHAA CCc1cccc(NC(=O)CCC(=O)N[C@H](C)Cc2ccsc2)c1 823531392 NAZSHCZRNPQEFR-CQSZACIVSA-N 344.480 3.777 0 50 EHAA CCc1nc2c(s1)[C@@H](N(C)Cc1ccccc1CC(=O)O)CCC2 846254252 OSUNOXYLPRLRPU-INIZCTEOSA-N 344.480 3.842 0 50 EHAA CC[C@@H]1CN(C(=O)c2cnc3[nH]cncc2-3)CC[C@@H]1c1ccccc1 952993874 LDGYGOYGUUXLMT-ZBFHGGJFSA-N 334.423 3.565 0 50 EHAA O=C(CCc1ccco1)Nc1cccc(CN=S2(=O)CCCC2)c1 1347745392 CMQJXPXTSJKRNZ-UHFFFAOYSA-N 346.452 3.613 0 50 EHAA COc1cc(Cl)cc(CNCc2cc(CC(C)C)no2)c1OC 1506422649 AOTWINMBTREJPE-UHFFFAOYSA-N 338.835 3.834 0 50 EHAA Cc1cc(F)ccc1N1CCC(N[C@@H](c2nccn2C)C(C)C)CC1 1506422764 RLDGVQSZVDSNSJ-LJQANCHMSA-N 344.478 3.823 0 50 EHAA CC[C@]12COC(=O)N1CCN(Cc1ccc3c(c1)Cc1ccccc1-3)C2 1857666788 ZBFSWJKLMZHEHH-QFIPXVFZSA-N 348.446 3.674 0 50 EHAA CC1(C)CCc2cc(NC(=O)c3cc(C(F)F)ncn3)ccc2O1 1875271730 WNIVVXQXPRIKRW-UHFFFAOYSA-N 333.338 3.770 0 50 EHAA CCn1cc(CNc2cccc(-n3cc(C)nc3O)c2)c(C2CC2)n1 1875284953 WVNSDJTVZYKYEZ-UHFFFAOYSA-N 337.427 3.592 0 50 EHAA CCc1nc(-c2ccc3cccc(F)c3n2)n([C@@H]2CCCC[C@H]2O)n1 2100545621 ZAXJDTXDGDUFTE-HZPDHXFCSA-N 340.402 3.671 0 50 EHAA Cc1ccccc1C[C@@H](CO)CN[C@H](CC(C)C)C1CCOCC1 2325841639 BVDACUCMJUTRLB-WIYYLYMNSA-N 333.516 3.577 0 50 EHAA N[C@@H]1CCN(C(=O)c2cnc(-c3cccs3)s2)c2ccccc21 2325856889 HHQZPZVALMGUQS-GFCCVEGCSA-N 341.461 3.922 0 50 EHAA C[C@@H]1CCC[C@H](CCNC(=O)Nc2cc(F)cc(C(=O)N(C)C)c2)C1 2325870507 ACFXJIDHMQVVIL-ZIAGYGMSSA-N 349.450 3.865 0 50 EHAA Fc1ccc(-c2cnc3c(N4CCCC4)nccn23)c2ncccc12 2356144453 YRMQJFQFGLLXGW-UHFFFAOYSA-N 333.370 3.684 0 50 EHAA COc1cc(C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc(OC)c1OC 35988 DFMOVWZOPBXSMW-TZMCWYRMSA-N 335.444 3.657 0 50 EHAA CC(=O)n1cc([C@H]2OC(=O)C(C)(C)C(=O)C2(C)C)c2ccccc21 108911 QXWQUHBXWVNFMX-OAHLLOKOSA-N 327.380 3.521 0 50 EHAA COc1ccccc1Cc1nc(-c2ccc(Br)o2)no1 118524 NSATZOMKIKVVHP-UHFFFAOYSA-N 335.157 3.692 0 50 EHAA aggregator O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1 130174 JGEAVIKUIPESMH-UHFFFAOYSA-N 330.387 3.869 0 50 EHAA COC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)c(C)c2)c1 142353 XQRPHICVBUHKAE-UHFFFAOYSA-N 341.407 3.923 0 50 EHAA Cc1ccc(C[C@@H](CC(=O)O)C(=O)Nc2ccc(Cl)cc2)cc1 249110 IKWJFAZZSCWTDM-AWEZNQCLSA-N 331.799 3.921 0 50 EHAA Cc1cc(C)c(S(=O)(=O)N2CCCCCC2)cc1Br 309900 FORYZRJOPJWUKM-UHFFFAOYSA-N 346.290 3.631 0 50 EHAA CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc12 442075 KYKWECGLHDOQEI-UHFFFAOYSA-N 349.312 3.900 0 50 EHAA COc1ccc2nc(NC(=O)COc3ccccc3C)sc2c1 570232 MHVQJJMQBCBJFY-UHFFFAOYSA-N 328.393 3.631 0 50 EHAA O=C(COc1ccc2ccc(=O)oc2c1)c1ccc(N2CCCC2)cc1 611704 DAGOBLPKODVDPP-UHFFFAOYSA-N 349.386 3.655 0 50 EHAA Cn1c(SCc2nc3ccccc3s2)nnc1-c1ccncc1 612870 QGHURZAKARDLKZ-UHFFFAOYSA-N 339.449 3.779 0 50 EHAA COc1ccc2c(Cl)c(C(=O)NCCCn3ccnc3)sc2c1 6673770 HJZXFDOXRVTRRC-UHFFFAOYSA-N 349.843 3.580 0 50 EHAA O=C(CCc1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 6743266 LETZSYXHKCSSIA-IBGZPJMESA-N 325.408 3.816 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)NCc1ccc(C)cc1 6845213 FYUXVELHMKBCJG-UHFFFAOYSA-N 334.466 3.638 0 50 EHAA C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1cccs1 7308891 AUKHXWQYRHLBKZ-VIFPVBQESA-N 346.271 3.550 0 50 EHAA CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1 12455951 OSBFFMUXOBLBHD-FQEVSTJZSA-N 347.418 3.784 0 50 EHAA CCCCCCNC(=O)c1cc2nccc(-c3cccs3)n2n1 13643999 RNMRXDMESARZOE-UHFFFAOYSA-N 328.441 3.768 0 50 EHAA CCCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 20100592 VYGZUSIMJZVUTN-UHFFFAOYSA-N 326.843 3.607 0 50 EHAA Cc1n[nH]c(-n2cnc3ccccc3c2=O)c1-c1ccc(Cl)cc1 22607284 QJGIDFYVXLMGLM-UHFFFAOYSA-N 336.782 3.738 0 50 EHAA COc1ccc(CN2CC=C(c3cnn(-c4ccccn4)c3)CC2)cc1 65406610 UGQNQWQXXLVINO-UHFFFAOYSA-N 346.434 3.565 0 50 EHAA COCCn1cncc1Cn1cnc(-c2ccccc2)c1C=C(C)C 65434325 IIPMQAPGOJWEHQ-UHFFFAOYSA-N 336.439 3.865 0 50 EHAA CS(=O)(=O)c1ccc(-c2nccn2CCCc2ccccc2)cc1 71715352 ARCYDYLMOTUCQU-UHFFFAOYSA-N 340.448 3.586 0 50 EHAA Cc1cc(N[C@H]2CC(=O)N(CC(C)(C)C)C2)nc(-c2ccccc2)n1 72133540 KCNOEPIXHVOCEX-INIZCTEOSA-N 338.455 3.511 0 50 EHAA CC[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1cnn(C)c1 96152489 SUIHDWAWXHLYCW-GFCCVEGCSA-N 344.312 3.851 0 50 EHAA CSc1c(F)cc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1F 125266019 BZCORCWAHVABJB-IINYFYTJSA-N 342.411 3.766 0 50 EHAA CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc(Cl)c(F)c1)C2 154227111 RHEQHQDUSKVURQ-UHFFFAOYSA-N 335.810 3.535 0 50 EHAA Cc1ncsc1C(=O)Nc1n[nH]c2ccc(C(F)(F)F)cc12 170089946 HFUUZILRRQIPDT-UHFFFAOYSA-N 326.303 3.599 0 50 EHAA C[C@H]1CN(c2ccc(Nc3cnc4ccccc4n3)cc2)C[C@@H](C)O1 170602695 NDHXFOVZWBYLLN-GASCZTMLSA-N 334.423 3.987 0 50 EHAA Cc1ccc(SCC(=O)N2C[C@H](C)[S@@](=O)c3ccccc32)cc1 170614399 IZOQISFGFZJEFK-LFVRLGFBSA-N 345.489 3.630 0 50 EHAA COc1ccc2nc(C)cc(C(=O)NC[C@H]3Cc4ccccc43)c2c1 170638991 CKMOTFKCMOJNNX-OAHLLOKOSA-N 332.403 3.622 0 50 EHAA CCO[C@H](CCNc1nnc(-c2ccccn2)s1)C1CCCC1 185748087 MWOLSOBQBMGQFW-OAHLLOKOSA-N 332.473 3.997 0 50 EHAA O=C(O)c1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)s1 238012035 ZPVWWFVPESIIRT-AWEZNQCLSA-N 327.405 3.738 0 50 EHAA C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(=O)N[C@@H]1CCCC[C@H]1C 252457163 HPUSDRXVIMSPCZ-NCFBOEJHSA-N 349.858 3.980 0 50 EHAA Cc1ccc(C)c(OC[C@H](O)CN2CCC[C@H]2c2ccc[nH]2)c1C 255121494 RXOJAGVGDGOZCZ-MJGOQNOKSA-N 328.456 3.517 0 50 EHAA O[C@H](C[C@@H]1CCCN1c1nccc(C(F)(F)F)n1)c1ccccc1 266233821 VFHYPWBOJXCFCK-UONOGXRCSA-N 337.345 3.588 0 50 EHAA CCS[C@H]1CCCC[C@H]1NC(=O)c1cccc(Cn2ccnc2)c1 267400792 MWLDAEHPVTXUPM-MSOLQXFVSA-N 343.496 3.726 0 50 EHAA N[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1 299777529 ORYQSNXWDAMSAN-OAHLLOKOSA-N 325.412 3.824 0 50 EHAA C[C@@H](c1ccccc1Br)N(C)C(=O)Cc1ccncc1 354954553 UPDPBLZIXPVRAG-LBPRGKRZSA-N 333.229 3.606 0 50 EHAA O=C(NCCC1=CCCCC1)N(Cc1ccccn1)C[C@H]1CCCO1 426370254 DFNRYELLGJGYRO-LJQANCHMSA-N 343.471 3.663 0 50 EHAA CC(=O)c1ccccc1-c1ccc(C(=O)NC2(CO)CCCC2)cc1 426404245 MWWBXCJGJHRSRX-UHFFFAOYSA-N 337.419 3.591 0 50 EHAA Cc1nc2cc(C(=O)NCCOc3ccccc3F)ccc2s1 670462252 RILYGZSDMQWACB-UHFFFAOYSA-N 330.384 3.553 0 50 EHAA CN(C(=O)c1cc(Cl)cs1)[C@H]1CCN(Cc2ccccc2)C1 758679788 OSMPWSJCBKKXEC-HNNXBMFYSA-N 334.872 3.748 0 50 EHAA C[C@@H](NCc1c(Br)c2ccccc2n1C)c1cnn(C)c1 873060178 DJYWBHUWPOPTRY-LLVKDONJSA-N 347.260 3.525 0 50 EHAA Fc1cccc(-c2cnc([C@H]3CCCCN3Cc3nncs3)[nH]2)c1 930254668 GXYOIIPPZCYJHQ-OAHLLOKOSA-N 343.431 3.795 0 50 EHAA Cc1cn2ccc(C(=O)N[C@@H](C)c3cccc(OC(F)F)c3)cc2n1 1464165012 SQMCFFCKJMJWTQ-LBPRGKRZSA-N 345.349 3.735 0 50 EHAA COC[C@@H](c1ccccn1)N(C)Cc1cc(C2CCCCC2)no1 1506431542 OHQVZANEYMHASN-IBGZPJMESA-N 329.444 3.937 0 50 EHAA CC(C)c1ccc(C(=O)Nc2c(Cl)nn(C)c2C(F)(F)F)nc1 1775999251 CWDYIYZPZLDFJU-UHFFFAOYSA-N 346.740 3.863 0 50 EHAA O=C(N[C@H](C(=O)O)C(C1CCC1)C1CCC1)OCc1ccccc1 1776004182 MCSPSZJWQZLSRJ-KRWDZBQOSA-N 331.412 3.582 0 50 EHAA Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@]2(C(=O)O)CCC[C@@H]12 1875268956 NVONUMQNOAWOAT-FZKQIMNGSA-N 348.468 3.579 0 50 EHAA O=C(c1ccc2[nH]c3c(c2c1)CCCCC3)N1CC[C@H](c2cc[nH]n2)C1 1875286254 OQDJKQKEDGJJQZ-HNNXBMFYSA-N 348.450 3.790 0 50 EHAA COc1ccc2c(c1)CC[C@H]1[C@H]2OCCN1C(=O)C1CCC=CCC1 1875326892 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EHAA Cc1ccc(S(=O)(=O)N[C@@H](C)C2C3CC4CC(C3)CC2C4)cc1 189736 RUTGILNPYXWDHN-IHXKFAGKSA-N 333.497 3.734 0 50 EHAA COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1ccc(F)cc1 191509 FQPFPFUBBUBDOH-QUCCMNQESA-N 338.382 3.704 0 50 EHAA Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)nc1-c1ccccc1 204911 OAJOTIZEIAAZEE-KGLIPLIRSA-N 344.436 3.948 0 50 EHAA CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(C)=O)c1C 282997 JFDHWNINMOQAAA-UHFFFAOYSA-N 337.422 3.750 0 50 EHAA Cc1nn(C[C@H](O)COc2ccc(-c3ccccc3)cc2)c(C)c1C 6729608 CEIKSBNAJHEGIG-FQEVSTJZSA-N 336.435 3.915 0 50 EHAA CC(C)c1nc2cc(C(=O)N(CC3CC3)C[C@H]3CCCO3)ccc2o1 11874330 HKNTWZAZEDZWPG-MRXNPFEDSA-N 342.439 3.982 0 50 EHAA O=C(CCC(F)(F)F)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 12300451 NVRBPGMJYAJSHT-NSHDSACASA-N 336.304 3.710 0 50 EHAA CC(C)(C)c1ccc(OC[C@H](O)C[S@](=O)Cc2ccccc2)cc1 12381725 ZSQKPFKNQLPLDZ-UUOWRZLLSA-N 346.492 3.673 0 50 EHAA C[C@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@H](c2cccs2)CC3=O)C1 12407488 FGTUXGVFIXSKCP-MJBXVCDLSA-N 341.480 3.933 0 50 EHAA Cc1ccccc1-c1nc(CN(CCO)Cc2ccccc2)c(C)o1 12458163 LALXITQKQKWMRX-UHFFFAOYSA-N 336.435 3.953 0 50 EHAA OCC1(C[C@H]2CCCCO2)CCN(Cc2ccc(Cl)cc2)CC1 12591843 ZXLMBWRIMPBXMC-GOSISDBHSA-N 337.891 3.874 0 50 EHAA CC[C@@H](C)N[C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 14989478 LBAWGNYBAXPYOM-NVXWUHKLSA-N 326.488 3.994 0 50 EHAA CCc1c(C)sc2nc(S)n(-c3ccc(C)cc3O)c(=O)c12 17068450 RCBGSRLDYNOBRR-UHFFFAOYSA-N 332.450 3.621 0 50 EHAA COc1ccccc1N1C[C@@H](c2nc(-c3cccs3)c[nH]2)CC1=O 23231707 YGTTWDUISUOLOX-LBPRGKRZSA-N 339.420 3.667 0 50 EHAA O=C(Nc1nc2ccc(Br)nc2s1)c1ccccc1 43465533 NLYDSXYSVWSSSI-UHFFFAOYSA-N 334.198 3.706 0 50 EHAA Cc1cccc(CN(C(=O)c2cnc(-c3ccccn3)nc2)C(C)C)c1 55414738 LMELRGIZZQDOKJ-UHFFFAOYSA-N 346.434 3.898 0 50 EHAA CC(C)Cc1nc(Cc2cccnc2)n(-c2cccc3cccnc23)n1 65393706 ZAQDPRCCVFGBRF-UHFFFAOYSA-N 343.434 4.000 0 50 EHAA C[C@@H](Cc1ccccc1F)NCc1ccc(C(=O)N2CCCC2)cc1 65455761 FJNHCJPHPCOGIL-INIZCTEOSA-N 340.442 3.783 0 50 EHAA O=C1CN(C(=O)CCc2cccc3ccccc23)c2ccccc2N1 67338866 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S=C(NCc1ccco1)N1CCN(c2ccccc2Cl)CC1 160184776 TVZCSALIEORUGR-UHFFFAOYSA-N 335.860 3.130 0 50 EHAA O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@@H]1CCCOC1 170792251 AJSGVYUTRDTGNK-CQSZACIVSA-N 346.814 3.679 0 50 EHAA C[C@@H](NC(=O)N[C@@H]1CCCOCC1)c1ccc(OC(F)(F)F)cc1 183469819 BUBBZBQUWBXTND-DGCLKSJQSA-N 346.349 3.515 0 50 EHAA O=C(c1ccnc2ccncc12)N1CCC(COc2ccccc2)CC1 187007750 ZVCPBOZWWSTCOC-UHFFFAOYSA-N 347.418 3.561 0 50 EHAA CC(=O)Nc1cccc(C(=O)NCCCc2cccc(Cl)c2)c1C 188392162 MDHAWIJGKALQEL-UHFFFAOYSA-N 344.842 3.969 0 50 EHAA O=C(CCc1ccncn1)N(Cc1ccccc1F)C1CCCCC1 191601354 JDAYJIPLYUEGGA-UHFFFAOYSA-N 341.430 3.910 0 50 EHAA Cc1c(C(=O)N(C)[C@H](C)c2ccco2)[nH]c2c1C(=O)CC(C)(C)C2 193324895 OYQJIMKOAZBOOP-GFCCVEGCSA-N 328.412 3.904 0 50 EHAA CC[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ncc(C)[nH]1 215686405 GDFJKBPKCITNPY-ZDUSSCGKSA-N 325.334 3.547 0 50 EHAA CCSc1ccc([C@@H](C)NC(=O)[C@@H](CN)c2ccccc2)cc1 236937094 DZUNIDTVRMZRCV-KDOFPFPSSA-N 328.481 3.718 0 50 EHAA Cc1c(NC(=O)N2CCC[C@@](C)(O)CC2)noc1-c1ccccc1F 279362075 GXNAFOOKCKNXAE-GOSISDBHSA-N 347.390 3.558 0 50 EHAA C[C@@]1(CNC(=O)Nc2cccc(C3CC3)n2)OCCc2sccc21 297143956 ZNXJYIFMWZJKOQ-SFHVURJKSA-N 343.452 3.630 0 50 EHAA Cc1cccc2nc(C3CCN(C(=O)c4ccsn4)CC3)oc12 333746158 WVOYWKNLDVYKHS-UHFFFAOYSA-N 327.409 3.613 0 50 EHAA C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C[C@@H](c2ccccc2)C1 333999600 QLJASGWHWLKFGV-XPYUAMARSA-N 337.467 3.603 0 50 EHAA c1ccc2c(c1)C[C@@H]1CC[C@H](C2)C1NCc1ccc(-n2ccnc2)nc1 376532706 MUBUFJKIWDNPLN-RLAPIPATSA-N 344.462 3.551 0 50 EHAA CCNc1nc(C)c(C(=O)NC2(c3cccc(Cl)c3)CC2)s1 759257780 BVCDTIFAELYZMI-UHFFFAOYSA-N 335.860 3.956 0 50 EHAA O=C(OCc1ccc(C(F)(F)F)cc1)C1CCN(C2CC2)CC1 801872467 UWWZGZXPYKWVKK-UHFFFAOYSA-N 327.346 3.623 0 50 EHAA C[C@H](c1ccc2c(c1)CCC2)S(=O)(=O)Cc1cccc(Cl)n1 840937452 JYWLRYZJLKZWSY-GFCCVEGCSA-N 335.856 3.900 0 50 EHAA C[C@@H](O)c1nc2ccc(-c3ccc(O)c(OC(F)(F)F)c3)cc2[nH]1 1772704181 GOVDNKGLLYXKGK-MRVPVSSYSA-N 338.285 3.887 0 50 EHAA CC1(C)C[C@H](n2ccnc2-c2cnn3cccnc23)c2ccccc2O1 1857668484 HURGVACHHNHMJO-INIZCTEOSA-N 345.406 3.743 0 50 EHAA Cn1ccnc1[C@@H](C1CC1)n1ccnc1-c1ccc2cccnc2c1 1857693124 IZYVNSDOESWJRI-GOSISDBHSA-N 329.407 3.831 0 50 EHAA CCCO[C@H]1C[C@@H](c2nc(C)nn2-c2ccccc2CC)CC[C@@H]1N 1857715564 XUDVAXPCAFWSJJ-LNLFQRSKSA-N 342.487 3.528 0 50 EHAA Cc1nccc(-c2ccccc2)c1C(=O)Nc1ncc(F)cc1F 2100534698 UKJKRNKXEZBUEU-UHFFFAOYSA-N 325.318 3.983 0 50 EHAA CO[C@@H](CNC(=O)N[C@@H]1CCc2ccc(F)cc21)c1ccc(C)cc1 2325879460 WGYWIAKNRZFXSX-MOPGFXCFSA-N 342.414 3.808 0 50 EHAA O=C1c2ccccc2N[C@]2(C(=O)Nc3ccccc32)N1C1CCCCC1 88723 SPGKWGZJJHKEHU-NRFANRHFSA-N 347.418 3.692 0 50 EHAA Cc1cc(Cl)ccc1N1C(=O)C[C@H](Sc2ccccc2N)C1=O 165005 ZFFCHDCZPGMHIA-HNNXBMFYSA-N 346.839 3.655 0 50 EHAA Cc1nc(NC(=S)NC(=O)c2ccccc2)sc1C(C)(C)C 247192 ZHRRVEKEOBJEBX-UHFFFAOYSA-N 333.482 3.876 0 50 EHAA O=C(NC1CCCCCC1)c1ccc(I)cc1 462264 QGGPICYXZYYJPX-UHFFFAOYSA-N 343.208 3.744 0 50 EHAA CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 464573 YKHTZXXHQCCKOA-HNNXBMFYSA-N 341.407 3.886 0 50 EHAA C[C@H]1CN(C(=O)c2sc3cccc(F)c3c2Cl)C[C@H](C)O1 1056294 CWMGSZKLMJPWMC-IUCAKERBSA-N 327.808 3.943 0 50 EHAA CC[C@@]1(c2ccccc2)NC(=S)N(c2cc(Cl)ccc2OC)N1 1428661 UHPQEBOHCGRSEA-QGZVFWFLSA-N 347.871 3.811 0 50 EHAA NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccccc3)c2c1N 2558578 IRICZCQKKYRVHA-UHFFFAOYSA-N 337.326 3.663 0 50 EHAA Cc1cc(C)c2nc(C(F)(F)F)nc(N3C[C@H](C)O[C@@H](C)C3)c2c1 4196827 PBEOFIDUOHTEBE-RYUDHWBXSA-N 339.361 3.879 0 50 EHAA CC(=O)N(C)c1ccc(NC(=O)c2cccc(OCC(C)C)c2)cc1 10278763 BJGYVNKBQZKNGJ-UHFFFAOYSA-N 340.423 3.956 0 50 EHAA COc1cccc(CN2CCC[C@](CO)(Cc3ccccc3F)C2)c1 11816481 RKPVWRWNCUMNKX-NRFANRHFSA-N 343.442 3.652 0 50 EHAA Cn1ccc([C@@H]2CCCCCN2C(=O)Cc2c(F)cccc2Cl)n1 12119525 WOBUVRJPORQDDG-KRWDZBQOSA-N 349.837 3.899 0 50 EHAA CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)C[C@H]1CCCO1 12708416 NEBHBDHHFXNGQT-OAHLLOKOSA-N 335.835 3.781 0 50 EHAA CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1 13058908 QOYZAUSDTTTXRV-CYBMUJFWSA-N 346.452 3.959 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1Cl 16489617 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344.392 3.528 0 50 EHAA COc1ccc2nc(N3CCO[C@@H](c4nc(C)cs4)C3)ccc2c1 171363011 LLUOTLBPFRRWJW-MRXNPFEDSA-N 341.436 3.586 0 50 EHAA Cc1csc(C2CCN(C(=O)c3cc4ccccn4c3)CC2)n1 172768294 QDTAJLZEJCGBNR-UHFFFAOYSA-N 325.437 3.724 0 50 EHAA O=C(CCCc1ccccc1)Nc1cccc(N2CCCNC2=O)c1 174095371 CHCJIGZYORDHIV-UHFFFAOYSA-N 337.423 3.568 0 50 EHAA CNC[C@@H]1CCCN(C(=O)/C=C(\C)c2ccccc2C(F)(F)F)C1 178337328 VNXOHRHSOMRESC-UELRPHRMSA-N 340.389 3.567 0 50 EHAA Cc1ccc(SC[C@H](C)NC(=O)[C@@H](C)c2c(C)n[nH]c2C)cc1 186701814 KAUPTAIAYGEOMJ-STQMWFEESA-N 331.485 3.735 0 50 EHAA O=C(CCc1c[nH]cn1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 189053652 DRFIUPFGXOZZAZ-LJQANCHMSA-N 339.826 3.902 0 50 EHAA Cc1csc([C@H]2COCCN2CCSc2ccccc2F)n1 189293286 BGLNWTNHCBNESH-CQSZACIVSA-N 338.473 3.756 0 50 EHAA COc1ccccc1-c1noc(-c2ccccc2N(C)C(=O)C2CC2)n1 193143684 WDYBHLNTHWIDJZ-UHFFFAOYSA-N 349.390 3.785 0 50 EHAA Cn1cccc1[C@@H]1CCCCCN1C(=O)[C@H]1CCCc2cccnc21 195374446 XHDKYBWLWXTESM-HKUYNNGSSA-N 337.467 3.984 0 50 EHAA CCN(C(=O)[C@@H]1C[C@H]1C)[C@@H](c1cccnc1)c1ccc2c(c1)CCO2 221760382 MKUPVZQSQNGUQT-LXGCGDOSSA-N 336.435 3.610 0 50 EHAA C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 252474734 KZUHUNIVWIELOW-SDVKURNPSA-N 334.504 3.802 0 50 EHAA CN1CC[C@H](NC(=O)CCC(F)(F)F)[C@H]1c1ccc(Cl)cc1 252477592 RAUVEWYUOSMNAN-GXTWGEPZSA-N 334.769 3.544 0 50 EHAA Cc1nc2cc(C(=O)NC(C)(C)CN3CCCCCC3)ccc2s1 252509852 YWYZMAHBXPUJFA-UHFFFAOYSA-N 345.512 3.989 0 50 EHAA O=C1OC2(CCCC2)C(=O)N1Cc1csc(-c2ccc(F)cc2)n1 289732982 KEEHQTOVMJGJQV-UHFFFAOYSA-N 346.383 3.741 0 50 EHAA Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)o1 294887383 ZTFGUFLVXSSDMP-LURJTMIESA-N 347.724 3.850 0 50 EHAA Cc1cnn(C2CCCC2)c1NC(=O)NCCCCc1ccccn1 299794863 NHSPPYLCGCZGPU-UHFFFAOYSA-N 341.459 3.846 0 50 EHAA Cc1noc([C@@H]2CC[C@H](CN[C@H]3CCC[C@@H]3Cc3ccccc3)O2)n1 328624761 KEFXTYUICDYFQP-YRXWBPOGSA-N 341.455 3.599 0 50 EHAA O=C(CSC12CC3CC(CC(C3)C1)C2)NCC[C@@H]1CCCOC1 534676940 LHMLTXYIMWWZAV-ISOUWHGUSA-N 337.529 3.621 0 50 EHAA CCN(Cc1ccc(C)o1)C(=O)NCc1ccc2c(c1)nc(C)n2C 584899170 YAMBKMQPQZBHGD-UHFFFAOYSA-N 340.427 3.515 0 50 EHAA Cc1cc([C@@H](C)NC(=O)N2CCC[C@H](OC3CCC3)C2)ccc1F 654480454 WJSMZMYUFHEWGV-PBHICJAKSA-N 334.435 3.938 0 50 EHAA C[S@](=O)C1(CN[C@H](Cc2ccccc2Cl)c2ccoc2)CC1 863983089 AFRUIKQRNUZFDH-ZHRRBRCNSA-N 337.872 3.718 0 50 EHAA CCOc1ccc(C)cc1S(=O)(=O)Nc1ccccc1Cl 1191779539 DRRMHUOVSCZYTB-UHFFFAOYSA-N 325.817 3.848 0 50 EHAA CC(=O)NC(C)(C)C[C@@H](C)NCc1nc2cc(C(C)(C)C)ccc2o1 1506418562 ZXGIMATXFIVAQZ-CYBMUJFWSA-N 345.487 3.908 0 50 EHAA Cc1ncsc1C(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1529168613 HTDGTDBPKMNMPY-CVEARBPZSA-N 330.453 3.690 0 50 EHAA COC(=O)c1c(OCc2c(F)cccc2F)cnc2ccccc12 1875360900 LOTFKJIELXBGPS-UHFFFAOYSA-N 329.302 3.879 0 50 EHAA NC(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 35565 AOZOPYPUMBSDGP-UHFFFAOYSA-N 330.796 3.906 0 50 EHAA O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2Cl)N1 188037 JNLXAXOXLWSEML-CVEARBPZSA-N 326.783 3.510 0 50 EHAA biogenic CCOC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 288646 YIOQFLXONAFNDB-UHFFFAOYSA-N 348.196 3.878 0 50 EHAA COc1ccc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 318850 LYXJTAJFYBDPCA-UHFFFAOYSA-N 333.815 3.661 0 50 EHAA COc1ccccc1OCc1nc(Cc2ccc(Cl)cc2)no1 432936 HCIKEHZBFBBTAP-UHFFFAOYSA-N 330.771 3.901 0 50 EHAA CCOc1ccccc1NC(=O)c1cnn2c(C(F)F)cc(C)nc12 608832 VEWYMKMUSQWMKT-UHFFFAOYSA-N 346.337 3.626 0 50 EHAA CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Sc2ccccn2)cc1 615479 RQJAJNBEWTTYHP-OAHLLOKOSA-N 344.436 3.768 0 50 EHAA CC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1Cl 617864 CJKFSVGTEVRBBE-LBPRGKRZSA-N 327.815 3.935 0 50 EHAA Cc1onc(-c2ccccc2Cl)c1C(=O)NCCCOC(C)C 2879119 PGEFTTWDJIIORI-UHFFFAOYSA-N 336.819 3.848 0 50 EHAA CCOC(=O)C(CCCCOc1ccc(Cl)cc1)C(=O)OCC 2880291 DNHKCSCPOMTBPH-UHFFFAOYSA-N 342.819 3.632 0 50 EHAA COc1cc(OC)cc(C(=O)Nc2ccccc2N2CCCC2)c1 3618613 DASMJLZGGNEMSU-UHFFFAOYSA-N 326.396 3.556 0 50 EHAA CCN(CC)C(=O)C(=O)c1cn(Cc2ccccc2)c2ccccc12 4413075 VDHXEABZCJHBRL-UHFFFAOYSA-N 334.419 3.741 0 50 EHAA O=C(NC1CCCCCC1)C1CCN(Cc2ccc(F)cc2)CC1 4576269 LXQMNHSAOZPMHZ-UHFFFAOYSA-N 332.463 3.877 0 50 EHAA CCOC(=O)[C@H]1CCCN(c2cc(C)c3cc4c(cc3n2)CCC4)C1 5006311 LHHSKMHGVUIVSB-KRWDZBQOSA-N 338.451 3.811 0 50 EHAA Cc1ccccc1OCC(=O)Nc1ccccc1OC[C@@H]1CCCO1 10155822 SFQDLPJVRVMFCN-INIZCTEOSA-N 341.407 3.570 0 50 EHAA Cc1cnc(-c2cccnc2)nc1[C@H]1CCCN(C(=O)C2=CCCC2)C1 12245101 WNMOOYGFCXUFID-SFHVURJKSA-N 348.450 3.663 0 50 EHAA Cc1ccc(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)o1 13327080 CFHDLFWXDFDFLO-UHFFFAOYSA-N 340.404 3.592 0 50 EHAA Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=S)NCC(C)C 13331067 CNIJQNORNOHOLU-UHFFFAOYSA-N 334.464 3.630 0 50 EHAA C[C@H](CCn1cccn1)Nc1nncc(-c2ccc3ccccc3c2)n1 15062258 GUBPCUDXJKODTH-OAHLLOKOSA-N 344.422 3.779 0 50 EHAA COc1ccccc1Oc1ncccc1CNc1nc(C)cc(C)n1 15073416 CXCUDVMVUMEDMC-UHFFFAOYSA-N 336.395 3.901 0 50 EHAA Fc1ccc(-c2cc(-c3cc(F)cc(F)c3)n3ncnc3n2)cc1 15109412 NGOUCMCHKLAEAS-UHFFFAOYSA-N 326.281 3.876 0 50 EHAA Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CCC(C)CC2)o1 15860282 JAARDNCVWRKJBN-GOSISDBHSA-N 344.430 3.930 0 50 EHAA CCn1nc(C)c(CNc2nncc(-c3cccc(Cl)c3)n2)c1C 23145339 XIPHVZCDZQSRGZ-UHFFFAOYSA-N 342.834 3.637 0 50 EHAA CCN(CC)[C@H](NC(=O)c1ccc(C)cc1)C(Cl)(Cl)Cl 24302706 OFJVEPHHORNMNM-ZDUSSCGKSA-N 337.678 3.763 0 50 EHAA Cc1nn(C)cc1-c1ccnc(NCc2ccc3c(c2)CC(C)(C)O3)n1 48315083 PUVDFUKSUCQTQT-UHFFFAOYSA-N 349.438 3.511 0 50 EHAA CC(C)(C)CC(=O)N1CCC(n2cc(C3CCCCC3)nn2)CC1 65373378 FFJDNMAJLCQCIT-UHFFFAOYSA-N 332.492 3.926 0 50 EHAA C/C(=C\c1ccco1)CN1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 67947810 CDMQEUUBRUCINH-OBHPCNEJSA-N 340.423 3.988 0 50 EHAA Cc1nccn1CC[C@H]1CCCCN1Cc1ccc2nsnc2c1 77302069 DTDLCROHEGEJCL-MRXNPFEDSA-N 341.484 3.641 0 50 EHAA Cc1cc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)nc2ccccc12 77377856 WFFOHQMZNSNOBB-JOCHJYFZSA-N 349.478 3.915 0 50 EHAA COc1ccccc1CN1CCC[C@@H](c2nccn2CC2CC2)C1 82135329 SEHRQODLLBSTQD-GOSISDBHSA-N 325.456 3.681 0 50 EHAA CC(C)=CCC[C@]1(C)CCC(=O)N(Cc2cn3cccnc3n2)C1 91830825 NYDAJMHZYIRIQM-LJQANCHMSA-N 326.444 3.604 0 50 EHAA CN(C(=O)[C@H]1CCn2ccnc2C1)c1ccc(Oc2ccccc2)cc1 126237663 REOWEQWELPULMV-INIZCTEOSA-N 347.418 3.901 0 50 EHAA Cc1ccccc1-c1cnc(NC(=O)N2CC[C@@H](CN(C)C)C2)s1 127116461 ICWHKNVSZNYIHK-AWEZNQCLSA-N 344.484 3.534 0 50 EHAA COc1cccc(-c2noc(N3CCC[C@H]3c3cccc(C)n3)n2)c1 150944048 XGADNNABKOTZGC-KRWDZBQOSA-N 336.395 3.790 0 50 EHAA Cc1c([C@H](C)NC[C@@H](O)c2ccsc2)cnn1-c1ccc(F)cc1 154459441 NEFPEEXJAOESCB-KPZWWZAWSA-N 345.443 3.766 0 50 EHAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC[C@@H]2C[C@H](C)CC[C@H]21 170593162 LKFBELBFPVKAOR-INJPQVFBSA-N 329.440 3.642 0 50 EHAA C[C@@H](NC(=O)Nc1ccncc1F)c1ccc(OC(F)F)cc1 184142593 JKQHNRFIADUVHW-SECBINFHSA-N 325.290 3.705 0 50 EHAA O=C(NCc1ccc(Cl)cc1F)N1CCCC[C@@H]1c1ncc[nH]1 187874131 AQKQSWYBHYLKPU-CQSZACIVSA-N 336.798 3.639 0 50 EHAA COc1ccc(-c2nsc(NC(=O)c3ccccc3C)n2)cc1F 190064214 UGSKMUSZBKTJHI-UHFFFAOYSA-N 343.383 3.914 0 50 EHAA Cc1[nH]c(C(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c(C)c1C(=O)OC(C)C 225425264 XISDMFYUKQTKLY-YWPYICTPSA-N 334.460 3.751 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C1 237469561 FQULFCMFMSWKTK-HZSPNIEDSA-N 342.405 3.785 0 50 EHAA C[C@@H](C(=O)NC1(C(=O)O)CCCC1)c1ccc(Cl)c(Cl)c1 262580812 QLWMAUPKTDFCME-SECBINFHSA-N 330.211 3.611 0 50 EHAA Cc1nc2scc(C3CC3)n2c1CN[C@H](CCO)c1ccccc1 298450775 NXVODTUBLGXXGZ-MRXNPFEDSA-N 341.480 3.795 0 50 EHAA CN1CCCCC[C@H]1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 299760422 JXRZENHODHHWMY-KRWDZBQOSA-N 330.403 3.576 0 50 EHAA CCCN(Cc1nccn1C)C(=O)Nc1cc(C)c(F)cc1Cl 299775329 DGJFQOGISUTGMU-UHFFFAOYSA-N 338.814 3.965 0 50 EHAA C[C@@H]1CCCCN1C1CN(Cc2cc(CN3CCCCC3)cs2)C1 822409510 BIJJDPQUBPNVJV-QGZVFWFLSA-N 347.572 3.793 0 50 EHAA Cc1cc(Cl)ccc1Cn1cc(C[C@@](C)(O)c2cccs2)nn1 900607525 MJGGTANTCRCTMB-QGZVFWFLSA-N 347.871 3.800 0 50 EHAA CC[C@H]1CCc2nc(O)c(C(=O)N3CCc4ccccc4C3)cc2C1 929103259 GORWIAUZOBSPNH-AWEZNQCLSA-N 336.435 3.501 0 50 EHAA CC(C)(C)OC(=O)N1CCC(=Cc2nnc(C3CC3)n2C2CC2)CC1 952879436 QTJRCBNMHQVJCY-UHFFFAOYSA-N 344.459 3.905 0 50 EHAA CO[C@@H]1CCC[C@]12CCCN(C(=O)NC13CC4CC(CC(C4)C1)C3)C2 1704301341 VPUMXVVQRDYTQE-GKHAHOLISA-N 346.515 3.946 0 50 EHAA O=C1CCCN1CCCOc1cccc(-c2cnc3ccccc3n2)c1 1775980052 RVVCKPKHXMEOPO-UHFFFAOYSA-N 347.418 3.688 0 50 EHAA CC(C)(C)Sc1ccc(-c2nc(O)c3c(n2)C(C)(C)OC3)nc1 1776004852 ZPWKUGKUJVVRRR-UHFFFAOYSA-N 331.441 3.900 0 50 EHAA O=C(Nc1nc2ccc3scnc3c2s1)[C@H]1OC[C@H]2CCC[C@H]21 1857533161 HWDYNJKGDVNVJY-KKFJDGPESA-N 345.449 3.660 0 50 EHAA OC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccc(F)c(F)c1 1857671208 AVYXJDXNKZREER-WMQCIHAUSA-N 343.417 3.923 0 50 EHAA O=C(c1ccc(C(F)(F)F)cc1)N1CCc2[nH]nc(C3CC3)c2CC1 1857714029 IVGFUODTWUQURQ-UHFFFAOYSA-N 349.356 3.547 0 50 EHAA COc1ccc2ccc(OC)c(-c3nccn3[C@H]3CCN(C)C3)c2c1 1857729395 YTQBGPDYJJHDMX-HNNXBMFYSA-N 337.423 3.597 0 50 EHAA Cc1nc(CN(C)[C@H](C(=O)O)c2ccccc2C(F)(F)F)cs1 1875266809 YWUQHPQPNPCUEK-ZDUSSCGKSA-N 344.358 3.728 0 50 EHAA CN(C(=O)[C@H]1CC[C@H]2C[C@H]2CC1)[C@H]1CCN(Cc2ccccc2F)C1 1875335198 WHGRKXFDIFTABH-BMFAXAFESA-N 344.474 3.685 0 50 EHAA Cc1nc(-c2ccccc2)c(NC(=O)[C@H]2COc3ccccc3C2)n1C 1940196410 JKGKNABREUPHBH-QGZVFWFLSA-N 347.418 3.585 0 50 EHAA Clc1ccc([C@@H](NCc2cncc3c2CCC3)c2cn[nH]c2)cc1 2325777980 USGGGPFIKJHWJL-LJQANCHMSA-N 338.842 3.826 0 50 EHAA C[C@@H]1CC[C@@H](CC(=O)Oc2ccc(OCc3ccncc3)cc2)OC1 2325796832 SECIGCOSVZCFQD-BEFAXECRSA-N 341.407 3.771 0 50 EHAA NC(=O)c1cc2cc(NC(=O)c3cc(F)cc(C(F)F)c3)ccc2[nH]1 2325868987 UEMSFRMEQFCUBV-UHFFFAOYSA-N 347.296 3.596 0 50 EHAA CCCN1CCC[C@]2(CCCN2Cc2cccc(Cl)c2F)C1=O 2356163521 HKESVZIGLHESLL-SFHVURJKSA-N 338.854 3.846 0 50 EHAA O=C(c1ccccc1)[C@H]1Oc2ccccc2OC[C@]1(O)c1ccccc1 188982 SPTUWAPEHOJTII-YADHBBJMSA-N 346.382 3.597 0 50 EHAA O=C(c1ccco1)c1nnn(Cc2ccccc2)c1-c1ccccc1 194534 IGQLHOCRKYBEAX-UHFFFAOYSA-N 329.359 3.817 0 50 EHAA CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(C)cc2)NC(=O)N1 195080 BTSWJJIRBYNHRW-GOSISDBHSA-N 342.439 3.889 0 50 EHAA CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(F)cc2)CC1 307657 ABSVTROODILFLZ-UHFFFAOYSA-N 340.398 3.950 0 50 EHAA CCN(C1CCCCC1)S(=O)(=O)c1cc(OC)c(C)cc1C 384552 JKCJYGLDWBKJDM-UHFFFAOYSA-N 325.474 3.655 0 50 EHAA COCc1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 572703 YYBRFFMBJQPRRU-UHFFFAOYSA-N 337.423 3.624 0 50 EHAA COC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)NC1CC1 1053730 KKWHPRROORFXBU-UHFFFAOYSA-N 330.409 3.794 0 50 EHAA CCc1ccc(OCCCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 1773434 WNZBXUFIJGTGHB-UHFFFAOYSA-N 341.407 3.833 0 50 EHAA Cc1nn2c(NCCCN(C)C)c3c(nc2c1-c1ccccc1)CCC3 2357921 UJVPNLQXBDIMCH-UHFFFAOYSA-N 349.482 3.557 0 50 EHAA O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc3c(c2)OCO3)on1 2465591 INOXQVHSHNCMCB-UHFFFAOYSA-N 344.273 3.601 0 50 EHAA O=C(Nc1ccccc1)c1ccn(COc2cccc(Cl)c2)n1 2799338 KSVYUMKBFGBSEQ-UHFFFAOYSA-N 327.771 3.825 0 50 EHAA CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccccc1 4739294 QWBXBDHDUKLJRN-UHFFFAOYSA-N 333.771 3.569 0 50 EHAA CCn1nc(C)c(CN2CCC[C@H](N(C)Cc3ccccc3)C2)c1C 20600277 FYGPEHNOOPSZPG-FQEVSTJZSA-N 340.515 3.616 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CCc4sccc4C3)[nH]n2)s1 32460118 KDINCDFJQJESSC-UHFFFAOYSA-N 329.450 3.707 0 50 EHAA Cc1oc(-c2ccco2)nc1CN(C)C[C@@H]1CCCN(C(C)C)C1 67954383 IPDBDDRENLDHFN-INIZCTEOSA-N 331.460 3.795 0 50 EHAA C[C@H](c1ccccn1)N(C)Cc1cc2ccc(Cl)cc2[nH]c1=O 67975130 PCNQBPFMZDJYFQ-GFCCVEGCSA-N 327.815 3.770 0 50 EHAA Cc1ccc(C(=O)N2CC(=O)N(c3cccc(Cl)c3)C[C@H]2C)cc1 82120069 KXTWYLAZLSBHJC-CQSZACIVSA-N 342.826 3.526 0 50 EHAA CCn1nc(-c2ccc([C@H](C)N3CCCCC3)cc2)nc1N(C)C 96147775 FYIAOSFHYDZNKB-HNNXBMFYSA-N 327.476 3.578 0 50 EHAA O=C1N[C@H]2CCC[C@@H]1CN(Cc1ccc(C3CCCCC3)s1)C2 97514469 LUQWSUOPMJSIHP-CVEARBPZSA-N 332.513 3.896 0 50 EHAA Cc1cc(=O)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2[nH]1 101110823 IUVANITUCXCBJY-UHFFFAOYSA-N 327.693 3.670 0 50 EHAA COc1ccc(OC(C)C)c(NC(=O)[C@H]2OCCc3ccccc32)c1 119731688 CWHBCRUKZKASRV-IBGZPJMESA-N 341.407 3.735 0 50 EHAA COc1ccc(CNC(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)cc1 131585047 DIPKGIRDXVEFRH-ZDUSSCGKSA-N 344.459 3.516 0 50 EHAA O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1ccccc1OC(F)F 155753073 XXTCFZSJTONKCS-INIZCTEOSA-N 347.361 3.532 0 50 EHAA Cc1ccc(C)n1-c1c(C(=O)Nc2cnc3ccccc3c2)cnn1C 170592837 MZDKAPUPOVGUCS-UHFFFAOYSA-N 345.406 3.628 0 50 EHAA COc1ccc(CC[S@](=O)Cc2ncc(Cl)cc2Cl)cc1 170610935 GAOIEAMVCJGZNX-NRFANRHFSA-N 344.263 3.888 0 50 EHAA CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H](C(C)(C)C)CC1 170629273 BVVUUIJGEKCINI-HNNXBMFYSA-N 330.538 3.644 0 50 EHAA CC1(C)C[C@H](NC(=O)c2ccc(N3CCCCC3)cc2)C(C)(C)O1 180534736 DBRSJYOWRGTDDS-KRWDZBQOSA-N 330.472 3.753 0 50 EHAA COC(=O)[C@@H](N[C@@H](C)c1cc2ccccc2s1)c1cccnc1 184361068 PSGOLMIKYXLFNE-SJCJKPOMSA-N 326.421 3.861 0 50 EHAA COc1ccccc1[C@@H]1CCCN1C(=O)c1csc(SC)n1 215012980 ZZHDGUVXHIPUGG-ZDUSSCGKSA-N 334.466 3.851 0 50 EHAA CSCc1cccc(CNC(=O)N2CC[C@H](C3CCOCC3)C2)c1 241301072 LQDKWQOOVUNAIS-SFHVURJKSA-N 348.512 3.508 0 50 EHAA C[C@H]1CN(Cc2nc(C3CCCC3)no2)C[C@@H](c2ccsc2)O1 246870396 WIYCXBOUUWZQGX-WFASDCNBSA-N 333.457 3.751 0 50 EHAA CC(C)c1cc([C@@H]2CCCN2Cc2nnc(-c3cccnc3)o2)no1 252500549 SXNNGNUUZCLLCJ-HNNXBMFYSA-N 339.399 3.580 0 50 EHAA O=C(OCCc1cn2ccccc2n1)C1(c2ccc(Cl)cc2)CC1 253425179 QHGLNCKXZWNIKN-UHFFFAOYSA-N 340.810 3.805 0 50 EHAA COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)CC1 253425420 CWZZITFVBWTYJS-WNHJNPCNSA-N 343.467 3.679 0 50 EHAA Cn1cc(C2CCN(C(=O)c3[nH]c4ccccc4c3Cl)CC2)cn1 265721432 ZGQZXSDSBGYNBR-UHFFFAOYSA-N 342.830 3.575 0 50 EHAA C[C@H]1COc2ccccc2CN1C(=O)CCC(=O)c1cccs1 272987276 RHADSGHKMVTTLQ-ZDUSSCGKSA-N 329.421 3.521 0 50 EHAA CC1(C)[C@H]2OCC[C@H]2[C@H]1NCc1ccc(Oc2cccnc2)c(F)c1 278303444 SBQDPSXDXGXVTF-IPELMVKDSA-N 342.414 3.916 0 50 EHAA O=C(c1ocnc1C1CC1)N1CCC[C@H](OCc2ccccc2F)C1 377528011 MAZHMFSHCDMZCM-HNNXBMFYSA-N 344.386 3.513 0 50 EHAA COCC1(CNC(=O)Nc2cccc(OC(F)F)c2)CCCC1 426632947 WFCHUCGQLSTDHT-UHFFFAOYSA-N 328.359 3.616 0 50 EHAA CN(C(=O)Nc1cc(F)cc(F)c1)[C@@H](c1ccccc1)c1ncc[nH]1 432638452 LBYBZGBAJYMOOZ-INIZCTEOSA-N 342.349 3.941 0 50 EHAA CN1CCC(N[C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 495259020 IIQIZPGCFFPXEM-IBGZPJMESA-N 329.875 3.703 0 50 EHAA CN(C(=O)C1(c2ccc(Cl)cc2)CCC1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529167764 OKSXPWRUXIQUHI-MHGIMSBQSA-N 347.886 3.770 0 50 EHAA COc1ccc(/C=C/CN2CCC[C@@]3(CCc4cnc(C)nc43)C2)cc1 1704324981 BFMXVCUEWZZMJJ-WTCGPSRQSA-N 349.478 3.787 0 50 EHAA O[C@@H]1CCC[C@]12CCCN(Cc1ccc(OC(F)(F)F)cc1)C2 1704336259 IISVAPKEIGTUNB-HZPDHXFCSA-N 329.362 3.712 0 50 EHAA CC(C)C[C@@H]1CCCC[C@H]1NC(=O)c1cc(N2CCCCC2)ncn1 1875357316 BGWFUWQFHHOXIN-DLBZAZTESA-N 344.503 3.802 0 50 EHAA CN(C)C[C@@H]1CCN(Cc2ccc(-c3cccc4cccnc34)o2)C1 2325700751 RLJGMWRGQVENFX-INIZCTEOSA-N 335.451 3.878 0 50 EHAA Cc1[nH]nc2c1CC[C@@H](NCc1cccc(Oc3ccccn3)c1)C2 2325788378 BMQQPBCOUHIZFG-MRXNPFEDSA-N 334.423 3.553 0 50 EHAA O=S(=O)(Cc1ccccc1)Nc1ccc(Br)cc1F 184242 SVEFUFXUMIAOPW-UHFFFAOYSA-N 344.205 3.530 0 50 EHAA CC(=O)Nc1ccc(Oc2c(Cl)c(C)[n+]([O-])c(C)c2Cl)cc1 407500 IRGSZKICVCEQKA-UHFFFAOYSA-N 341.194 3.994 0 50 EHAA C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O 1484896 ABOOPXYCKNFDNJ-SNVBAGLBSA-N 344.754 3.927 0 50 EHAA in-vivo CCCOc1ccccc1N1C(=O)C[C@H](Nc2ccc(C)cc2)C1=O 2968502 FQMULGKLSYZXKI-INIZCTEOSA-N 338.407 3.528 0 50 EHAA Cc1ccc(-n2nnnc2SCCOc2ccc(C)c(C)c2)cc1 4171093 SSBMXZRJCLERIB-UHFFFAOYSA-N 340.452 3.759 0 50 EHAA O=C(Cc1ccccc1)NC(=S)Nc1ccc2c3c(cccc13)CC2 4620752 WFWFHMKGXHWNSM-UHFFFAOYSA-N 346.455 3.994 0 50 EHAA CCOc1cc(C=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 4656025 YLRVVDDTTKHJTF-UHFFFAOYSA-N 334.755 3.828 0 50 EHAA COc1cc(OC)c(OC)cc1CN1CCCC[C@H]1c1cccnc1 4982701 DASOULIRFQZZOD-KRWDZBQOSA-N 342.439 3.835 0 50 EHAA CN(C(=O)CSc1nc(-c2ccccc2)no1)c1ccc(F)cc1 8599873 OOQFRAHICPKOGA-UHFFFAOYSA-N 343.383 3.631 0 50 EHAA Cc1ccc(CN(C)C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)o1 11819424 LMSVXMFFAMKYAG-UHFFFAOYSA-N 348.406 3.586 0 50 EHAA CC[C@@H](C)[C@@H](N)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 12374438 ABQUFQQMQCPHOH-NOZJJQNGSA-N 339.848 3.744 0 50 EHAA Cc1cc(C)nc(SCC(=O)Nc2nc3c(C)cccc3s2)n1 13942660 OOMXRFYSOVAJBZ-UHFFFAOYSA-N 344.465 3.742 0 50 EHAA CN(Cc1ccccc1)c1ncccc1CNC1CCSCC1 14966549 HMTGHBZQGONOLG-UHFFFAOYSA-N 327.497 3.703 0 50 EHAA COc1cccc(CNC(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 36620455 PUZJDZWRJOSQHQ-GOSISDBHSA-N 328.387 3.881 0 50 EHAA CC[C@@H](NCc1c(C)cc(C)c(COC(C)=O)c1C)c1ccnn1C 55153803 QKQLMLPCKUICDX-LJQANCHMSA-N 343.471 3.649 0 50 EHAA Cc1ccccc1-c1noc(-c2cccc(NC(=O)[C@H]3CCOC3)c2)n1 55404634 BCXMRBWKJIVIGC-HNNXBMFYSA-N 349.390 3.687 0 50 EHAA CCCCSc1ncc([C@H]2CC(=O)Nc3snc(C)c32)cn1 65395676 PVVYTHOLAXBIGW-LLVKDONJSA-N 334.470 3.608 0 50 EHAA COc1c(F)cc([C@@H]2C[C@H](NC(C)=O)C[C@H](C(C)C)O2)cc1Cl 65490658 OAUDJQMVBJAGCC-WQVCFCJDSA-N 343.826 3.869 0 50 EHAA O=C(O)c1ccc([C@@H]2CCN(Cc3ccnn3-c3ccccc3)C2)cc1 72143645 VYAFFPZYHUFPQR-GOSISDBHSA-N 347.418 3.560 0 50 EHAA CC(C)n1cncc1CN(CCc1ccccc1)C1CCN(C)CC1 72171385 AYYVWFMGJVIWDD-UHFFFAOYSA-N 340.515 3.603 0 50 EHAA Cc1c(C(=O)NCC(C)C)cccc1-n1ccnc1-c1ccccn1 77339233 SJOJAMPCSOKPNM-UHFFFAOYSA-N 334.423 3.629 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 91289152 ROGNULLKIKEHNW-OAHLLOKOSA-N 331.847 3.505 0 50 EHAA CCc1cccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)c1 100374238 QSUHSKKTFVZBFD-MRXNPFEDSA-N 328.799 3.646 0 50 EHAA O=C(Nc1cccc(F)n1)c1csc(-c2ccc(F)c(F)c2)n1 160823676 MJIZKZAQFJTXPI-UHFFFAOYSA-N 335.310 3.875 0 50 EHAA CNC(=O)CCCN(C)Cc1c(Cl)cccc1SC(C)C 170616054 SPPGLXOHKWLVNM-UHFFFAOYSA-N 328.909 3.799 0 50 EHAA CC(=O)c1ccccc1NC(=O)CN1CCCC[C@@H]1c1nccs1 171638209 IYSBIFCPIHWITI-MRXNPFEDSA-N 343.452 3.511 0 50 EHAA CC(C)c1nc(/C=C/c2c(Cl)nc3sccn23)ncc1C(=O)O 172554998 DTZUFGZNIOEWAU-ONEGZZNKSA-N 348.815 3.831 0 50 EHAA Cc1sc2nc(CN3Cc4ccccc4C[C@H]3C)[nH]c(=O)c2c1C 179208062 HIBPPHDHTSJIMA-LLVKDONJSA-N 339.464 3.548 0 50 EHAA Cn1cccc1[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)nc1 179363560 HJHOUWKHKSEKLA-CYBMUJFWSA-N 338.333 3.808 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)cc1 181323441 LBZYSEGDVHWTHN-SFHVURJKSA-N 346.434 3.800 0 50 EHAA OCCC[C@H]1CCCCN1Cc1cnc(-c2ccc(Cl)cc2)nc1 216311631 NBMVZKBJRYYVFC-GOSISDBHSA-N 345.874 3.924 0 50 EHAA CCC(=O)N1N=C(c2ccsc2)C[C@H]1c1cnc2ccccc2n1 225509253 QPHDXZCGCHQNKT-KRWDZBQOSA-N 336.420 3.779 0 50 EHAA CSc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2Cn2ccnc2)cc1 253431501 RDPGRBSANJTJEM-ZBFHGGJFSA-N 344.484 3.540 0 50 EHAA O=C(C1=Cc2ccccc2OC1)N1CCCC[C@@H]1c1nccs1 264078690 CILVETPTUGPPDA-OAHLLOKOSA-N 326.421 3.673 0 50 EHAA CCc1nnc([C@@H]2CN(C(c3ccccc3)c3ccccc3)CCO2)o1 282501602 NNYBYVPUIGLRFI-SFHVURJKSA-N 349.434 3.795 0 50 EHAA COC(=O)c1ccc(OC(C)C)c(NC(=O)c2c(C)coc2C)c1 283958128 NUHFNGNFTIOOMW-UHFFFAOYSA-N 331.368 3.723 0 50 EHAA Cc1nnc(CN(Cc2ccccc2)Cc2scnc2C)s1 299757106 HTSLJODHFOMZOG-UHFFFAOYSA-N 330.482 3.814 0 50 EHAA CN(C)c1cc(C(F)(F)F)nc(Oc2ccc(-n3cccn3)cc2)n1 301365596 NVDRIVFHIBUYGY-UHFFFAOYSA-N 349.316 3.539 0 50 EHAA CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc1 328588462 PQXBWEHSNYPKQD-YJBOKZPZSA-N 340.471 3.513 0 50 EHAA Cc1csc(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)c1 333744185 WJWQKWVEUWODJR-UHFFFAOYSA-N 339.486 3.639 0 50 EHAA Cn1c(-c2ccc(Cl)cc2)cn(CC(=O)c2ccccc2)c1=N 334157534 HRZGYVQITPEJOY-UHFFFAOYSA-N 325.799 3.509 0 50 EHAA COc1cnccc1-c1noc([C@@H]2CC(C)(C)Oc3ccccc32)n1 351219280 QFHFDEXWGLRVKD-CQSZACIVSA-N 337.379 3.833 0 50 EHAA CC(=O)N1CCO[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 372134314 PNUXYCASIGCPOC-LBPRGKRZSA-N 341.251 3.644 0 50 EHAA CC(C)NC(=O)COc1cc(C(F)F)nc2ccc(Cl)cc12 408516836 PVHJELYHLUGZBB-UHFFFAOYSA-N 328.746 3.729 0 50 EHAA O=C(Nc1ccc2oc(C(=O)O)cc2c1)c1ccn(-c2ccccc2)n1 439989422 MSGNRJLKSZPUDR-UHFFFAOYSA-N 347.330 3.569 0 50 EHAA CC(C)[C@]1(C(=O)O)C[C@@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 899785185 FIHWJMFLFXCTLY-VQIMIIECSA-N 340.379 3.559 0 50 EHAA CC(C)(C)c1nc(CN2CCc3nc[nH]c3[C@@H]2c2ccccc2)co1 931796171 DQNABPNISDBKOS-SFHVURJKSA-N 336.439 3.843 0 50 EHAA CCc1nc2cc(NC(=O)c3cnc(C4CC4)nc3)ccc2n1CC 952970710 UCHHLNYNCFXOEZ-UHFFFAOYSA-N 335.411 3.538 0 50 EHAA c1ccc2c(c1)ccn2CCCNC1CCC2(CCNCC2)CC1 952978422 QGRDRMYOPHYREG-UHFFFAOYSA-N 325.500 3.933 0 50 EHAA Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@@H](C)N1CCCC1 952982974 RXTUXLAYGBZPJB-OAHLLOKOSA-N 343.471 3.547 0 50 EHAA C[C@@H](CCc1ccc(O)cc1)N1CCC(c2ccnc(O)c2)CC1 1772818407 DFACLWONWPCYKU-HNNXBMFYSA-N 326.440 3.694 0 50 EHAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1nc(-c2cccs2)oc1C 1857673922 ONSJLEGUUCYXMQ-XCRHUMRWSA-N 332.469 3.837 0 50 EHAA OC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccc(F)cc1 1857676088 OJHWLDGUAMWBTI-HBMCJLEFSA-N 325.427 3.784 0 50 EHAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)c1ccc(Oc2ccccc2)o1 1857679038 VNDGSFLEYNVUTN-NQYLQCIDSA-N 341.407 3.838 0 50 EHAA CCOc1cc(Cl)c(-c2nccn2[C@@H]2CCOC2)cc1OCC 1857730025 WPCLANQIOCWBAK-GFCCVEGCSA-N 336.819 3.962 0 50 EHAA ClC(Cl)(Cl)[C@H](NCc1ccccc1)NCc1ccco1 1857800274 ITJXKDZTAAPGRS-CYBMUJFWSA-N 333.646 3.855 0 50 EHAA Cn1c(N2CCC[C@@](O)(c3ccccc3)CC2)nc2c(F)cccc21 1875288036 LLEQBHOVXMAETP-FQEVSTJZSA-N 339.414 3.591 0 50 EHAA COC[C@H]1C[C@@H]1NC(=O)Cc1csc(-c2ccc(C(C)C)cc2)n1 1875310098 DDGMEJDSZNAQRY-WBVHZDCISA-N 344.480 3.627 0 50 EHAA C[C@@H]1CCC[C@@H](CC(=O)N[C@H](CO)c2ccc(F)c(Cl)c2)C1 1875356186 IMKBJZMJAVPILH-XHBSWPGZSA-N 327.827 3.845 0 50 EHAA C[C@@H](CCC1CCCCC1)NC(=O)c1cnc(C2CCN(C)CC2)[nH]1 1875357205 XDHCAMURMGKGNV-HNNXBMFYSA-N 346.519 3.698 0 50 EHAA CCc1cccc2c(C(=O)N=c3ccn(-c4ccccc4)[nH]3)c[nH]c12 2325721045 WVTPGMLDZAQJHD-UHFFFAOYSA-N 330.391 3.590 0 50 EHAA O=S(=O)(CCCCC1CC1)Oc1ccc(Oc2cnccn2)cc1 2325798441 HHQXAGXOFMEKEB-UHFFFAOYSA-N 348.424 3.558 0 50 EHAA CN1CC[C@@](C)(CNC(=O)c2cccc(-c3nc4ccccc4o3)c2)C1 2325810146 ARGLROPNNAXRRC-NRFANRHFSA-N 349.434 3.566 0 50 EHAA CC1=C(C(=O)OCCC(C)C)[C@H](c2ccccc2Cl)NC(=O)N1 44064 IOPMOVOPLWDANH-HNNXBMFYSA-N 336.819 3.557 0 50 EHAA O=C1SCC[C@@H]1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 182258 ZWYSXTKPLRQRTI-HOTGVXAUSA-N 343.473 3.668 0 50 EHAA O=C(Cn1c(=O)sc2ccccc21)c1ccc(Br)cc1 404884 MPDRQCOUHBZFJW-UHFFFAOYSA-N 348.221 3.708 0 50 EHAA O=C(c1ccc(Br)cc1)c1[nH]c2ccccc2c1C(=O)O 2510915 UFKJOCIYQJRAPU-UHFFFAOYSA-N 344.164 3.860 0 50 EHAA O=C(O)COc1ccccc1[C@H]1CC(=O)Nc2ccc3ccccc3c21 2886486 LCMAXLRPWMKKOM-MRXNPFEDSA-N 347.370 3.777 0 50 EHAA CCOc1ccc(S(=O)(=O)NCc2ccccc2)c2ccccc12 2990437 NQFRAZVIRKTPHH-UHFFFAOYSA-N 341.432 3.717 0 50 EHAA O=C(NCC1CCCCC1)c1ccccc1I 3559985 RSXSFOBLWHWQNL-UHFFFAOYSA-N 343.208 3.601 0 50 EHAA Cc1cccc(OCC(=O)Nc2c(C)ccc3nsnc23)c1C 4487032 BAFYHGOUMNVHBA-UHFFFAOYSA-N 327.409 3.634 0 50 EHAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccc(F)cc1 4851434 LJVNUIKMCVEAAE-UHFFFAOYSA-N 340.358 3.930 0 50 EHAA O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccccc1)N1CCCCC1 5049364 KIBFEGUFVBIKGE-RBBKRZOGSA-N 348.446 3.939 0 50 EHAA COc1ccc(CCNC(=O)CSCc2ccccc2Cl)cc1 5675805 BLCQZMIMHIKOSJ-UHFFFAOYSA-N 349.883 3.941 0 50 EHAA O=C(Nc1ccc(Cl)cc1F)c1cncc(Br)c1 6388199 SPCQQYNICRWAAQ-UHFFFAOYSA-N 329.556 3.889 0 50 EHAA CCN(CC)CCn1c(NC(=O)c2ccccc2)nc2ccccc21 6720116 YKFDUTOEYVPELA-UHFFFAOYSA-N 336.439 3.630 0 50 EHAA O=S(=O)(Cc1ccc(Br)cc1)Nc1ccccc1F 16579293 PXNHDRWQQAMCFW-UHFFFAOYSA-N 344.205 3.530 0 50 EHAA CCC(CC)n1ncc(C)c1NC(=O)c1ccc(CN2CCCC2)o1 55386746 RULLPXYDTRSYEU-UHFFFAOYSA-N 344.459 3.994 0 50 EHAA Cc1ccncc1C(=O)Nc1ccnn1Cc1cccc(Cl)c1 55403561 PVWUHCWMHHRXEQ-UHFFFAOYSA-N 326.787 3.541 0 50 EHAA C[C@H](NCCC(=O)Nc1cccnc1)c1ccccc1C(F)(F)F 65403928 CSAOQXUCTJVVMF-LBPRGKRZSA-N 337.345 3.780 0 50 EHAA CCCCN1CCc2[nH]cnc2[C@H]1c1cc(C)ccc1-n1cccn1 71762804 JHGUYYCXDBOYJH-HXUWFJFHSA-N 335.455 3.651 0 50 EHAA CC(C)CCC[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)CCO1 71774932 QMYGHLLXWJBLNR-MRXNPFEDSA-N 341.455 3.744 0 50 EHAA O=C(CCc1ccc(O)cc1)N1CCC(Oc2ccc(F)cc2)CC1 72424739 BXTXDGPNWHQRKG-UHFFFAOYSA-N 343.398 3.534 0 50 EHAA C[C@@H](CCO)Nc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 72475283 ZZNATQHKBUJDOI-NSHDSACASA-N 344.802 3.635 0 50 EHAA Cn1ccc2c(C(=O)N3CCC(OCc4ccccc4)CC3)cccc21 77458206 OWGBVNVPEHOUBT-UHFFFAOYSA-N 348.446 4.000 0 50 EHAA O=C(Cc1ccc(F)cc1Cl)N1CCCC[C@@H]1CCn1cccn1 82099978 GVYNUXXANHSXTN-MRXNPFEDSA-N 349.837 3.690 0 50 EHAA Cc1ccc(CC2(NC(=O)[C@@H](c3cccc(F)c3)N(C)C)CC2)cc1 95360313 MSRMEZWKGPXFEC-LJQANCHMSA-N 340.442 3.628 0 50 EHAA CCc1ncc(C(=O)N2CCCC[C@@H]2CCc2cccs2)cn1 95392196 SHVKLNVRTCWWJQ-OAHLLOKOSA-N 329.469 3.728 0 50 EHAA COc1cc(NC(=O)N(CC2CCC2)C[C@H]2CCCO2)ccc1F 95511380 LEVZDCXZFJPHLK-OAHLLOKOSA-N 336.407 3.647 0 50 EHAA CNC(=O)C1(NC(=O)Nc2c(C)ccc3ccccc23)CCCCC1 96132763 WVNHRRNIOIZBAF-UHFFFAOYSA-N 339.439 3.719 0 50 EHAA CC(C)Cc1cc(CNC(=O)Nc2ccnn2C2CCCC2)on1 96133640 FHMYEXSVGJGHIA-UHFFFAOYSA-N 331.420 3.506 0 50 EHAA CC[C@@H](NC(=O)Nc1ccc2cnn(C)c2c1)c1nc(C)c(C)s1 96164455 GWSCPYXTPKLPFS-CQSZACIVSA-N 343.456 3.919 0 50 EHAA COc1ccc(NC(=O)NC[C@@H](c2cccc(C)c2)N(C)C)c(C)c1 96166029 GBPSMEYDLWIZBJ-IBGZPJMESA-N 341.455 3.736 0 50 EHAA Cc1ccccc1C1CC(NCc2ccnc(O[C@@H]3CCOC3)c2)C1 128192616 DGXHJGCFKQBLAP-CTWPCTMYSA-N 338.451 3.594 0 50 EHAA O=C(CCCCc1ccc(Br)cc1)OC1CCOCC1 158474181 JXXXNTGNGVIKHW-UHFFFAOYSA-N 341.245 3.884 0 50 EHAA O=C(O)c1ccccc1-c1nnc(-c2ccc(Br)cc2)o1 163324092 QABMCYSYQOFCJW-UHFFFAOYSA-N 345.152 3.864 0 50 EHAA O=C(N[C@H](CO)Cc1ccccn1)N(c1ccccc1)c1ccccc1 170619778 BZCKRYHLKGDMGE-SFHVURJKSA-N 347.418 3.533 0 50 EHAA Cc1nc(C[C@H]2CCCN(C(=O)Cc3cccc4ccccc34)C2)no1 171244382 JLHISJWYAWJZDN-MRXNPFEDSA-N 349.434 3.555 0 50 EHAA Cc1cc(OCc2nnc([C@H]3C[C@H](N)C3)n2C2CC2)cc(C)c1Cl 219477083 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344.219 3.997 0 50 EHAA CCc1nnc2sc(-c3ccc(NC(=O)c4ccccc4)cc3)nn12 556559 XXNICAUNKGUODI-UHFFFAOYSA-N 349.419 3.668 0 50 EHAA O=C(Oc1ccc2c(c1Br)CCCC2)c1cccnc1 619910 KLAAZXOQMHCRBK-UHFFFAOYSA-N 332.197 3.942 0 50 EHAA CCCNC(=O)c1ccc(COc2ccc(CCC)cc2OC)o1 2752205 LZMZQXSSJLBDFF-UHFFFAOYSA-N 331.412 3.960 0 50 EHAA S=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCOCC1 4117353 PFCHWDOIBQXOGL-UHFFFAOYSA-N 336.460 3.697 0 50 EHAA O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1F 4622041 OZGGXLRTQVJNGY-UHFFFAOYSA-N 334.778 3.568 0 50 EHAA Cc1cc2occ(CC(=O)NCc3ccccn3)c2c(C)c1Cl 4834461 BJSQDMNVBFGVJI-UHFFFAOYSA-N 328.799 3.957 0 50 EHAA CC[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)O)c1ccccc1 5059947 CVVOJOJMQDCUFQ-CYBMUJFWSA-N 343.379 3.534 0 50 EHAA COc1ccc2c(c1)c(Sc1ccccc1)c(CC(=O)O)n2C 13923783 MTEDYEQFBZKBBZ-UHFFFAOYSA-N 327.405 3.965 0 50 EHAA O=C(Nc1cccnc1)C1CCN(Cc2ccccc2Cl)CC1 16606731 DRYQVTOLSXVJQC-UHFFFAOYSA-N 329.831 3.586 0 50 EHAA CCc1ccc(NC(=O)N2CCN(Cc3ccc(C)cc3)CC2)cc1 20192566 PWTSCNKYTUHJFU-UHFFFAOYSA-N 337.467 3.907 0 50 EHAA CCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 20399303 RMMDNENQEOXSEK-SFHVURJKSA-N 340.398 3.631 0 50 EHAA CCOC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 43861809 UIDFXFPSKMRKGO-UHFFFAOYSA-N 336.741 3.533 0 50 EHAA O=C1C[C@H](c2cc3c(cc2Cl)OCO3)c2c(n[nH]c2C2CCC2)N1 65371214 GMAMERBIRUQHTE-SNVBAGLBSA-N 345.786 3.533 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)N3CCCCC[C@H]3CO)c2c1 77343702 KEDQWSBIUQVIKR-INIZCTEOSA-N 326.440 3.537 0 50 EHAA c1ccc2[nH]c([C@@H]3CCCN(Cc4ccc5nsnc5c4)C3)nc2c1 77470863 HXRAOTITVORYNV-CQSZACIVSA-N 349.463 3.947 0 50 EHAA C=Cc1ccc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@H]2C)cc1 82146852 NFUAJCWWBNNETQ-MRXNPFEDSA-N 334.419 3.516 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 91713453 LHHGOYPNXKIAEZ-GFCCVEGCSA-N 335.810 3.715 0 50 EHAA Cc1cccc([C@H](C(=O)N(C)CCSc2ccccc2)N(C)C)c1 91894518 DLYCJCBLYJKNAQ-LJQANCHMSA-N 342.508 3.848 0 50 EHAA Cc1cnccc1NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 121740861 QDXUDELQPCLKHL-CYBMUJFWSA-N 331.803 3.729 0 50 EHAA C[C@@H](C(=O)NCc1ccc(O)c(Br)c1)c1cccs1 151525538 UWDCSUPMALTBPN-SECBINFHSA-N 340.242 3.636 0 50 EHAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1CSCCS1 153082572 JZIMWBBJQIYSLJ-NEPJUHHUSA-N 344.571 3.943 0 50 EHAA C[C@@H]1CN(C(=O)/C=C/c2cccc(OC3CCCC3)c2)CCCO1 171422296 NGWSKBJTTNOQEG-SIFUEBAJSA-N 329.440 3.659 0 50 EHAA Clc1ccc2c(c1Cl)OCCC[C@@H]2NCCn1cccn1 180434298 JIUVIKIOTAPXDX-ZDUSSCGKSA-N 326.227 3.693 0 50 EHAA Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)c(C)o1 183055756 AJQXQMMNKCWGNY-JTQLQIEISA-N 329.368 3.556 0 50 EHAA O=C(Cc1cccs1)Nc1cccc2c1CN(CC(F)(F)F)C2 186738021 HZYLFEPHSVLHNL-UHFFFAOYSA-N 340.370 3.807 0 50 EHAA CC[C@H](C(=O)Nc1ccccc1C[S@@](C)=O)c1ccc(OC)cc1 192590940 OIKPAPUZHZXABH-BXKMTCNYSA-N 345.464 3.706 0 50 EHAA C[C@@H]1CN(c2ccncc2Br)C[C@H](c2ccccc2)O1 225613325 GKVFKAUWKHRWIZ-MLGOLLRUSA-N 333.229 3.811 0 50 EHAA CC(C)C[C@H](NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccccn1 252486368 JKXPPPBNQXGMSF-PWRODBHTSA-N 345.531 3.526 0 50 EHAA Cc1ccc(N2CCOCC2)cc1NC(=O)N1CC[C@@H](C)C[C@H](C)C1 253433265 UYIQINGUCDCEIT-CVEARBPZSA-N 345.487 3.732 0 50 EHAA C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cccc(C(=O)O)n1 262197693 UGIFIUSUBDGQRR-NEPJUHHUSA-N 346.814 3.697 0 50 EHAA CC(C)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(O)c1 281989963 JSLSJTJSXXMQLI-CGTJXYLNSA-N 331.456 3.671 0 50 EHAA COc1ccc2oc([C@@H](C)NCc3n[nH]c(C(C)C)n3)c(C)c2c1 293039331 DVEWVSVLUYQGIS-GFCCVEGCSA-N 328.416 3.842 0 50 EHAA Cc1nc([C@@H]2CCCN2C(=O)c2cc(C)n([C@@H](C)C3CC3)n2)cs1 330226559 UMZSZAVUDKFPGZ-SJCJKPOMSA-N 344.484 3.905 0 50 EHAA COc1cc(OC)cc(N(C)C(=O)C[C@@H]2C[C@H]2c2ccccc2)c1 341582901 IYPRYRSZIRXJCJ-KXBFYZLASA-N 325.408 3.860 0 50 EHAA CCC[C@@H](OC)C(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 450990977 VTCOKZUUCQOIKX-MRXNPFEDSA-N 330.428 3.657 0 50 EHAA O=C(c1snc(O)c1Cl)N1CCC[C@H]1/C=C/c1ccccc1 885215554 IKQJBPDTNYPNMD-BCPZQOPPSA-N 334.828 3.820 0 50 EHAA CCc1onc(C)c1CNC(=O)CCSc1cccc(Cl)c1 886677946 NXBQALRBROCPMI-UHFFFAOYSA-N 338.860 3.997 0 50 EHAA CN(Cc1ccc(F)c(F)c1F)C[C@H]1Cc2ccccc2CN1C 952865698 WJJUMCDJKCNSFE-MRXNPFEDSA-N 334.385 3.592 0 50 EHAA COc1cc(CO)ccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 1447434760 LCTGPHWJJXIDRM-AWEZNQCLSA-N 339.435 3.557 0 50 EHAA Cc1ccc(CN(C)C(=O)c2cc(-n3cccn3)ccc2Cl)o1 1506398375 LXPXKBKRUDCWJX-UHFFFAOYSA-N 329.787 3.699 0 50 EHAA CCCCCc1nnc(NC(=O)c2c(C)oc3c2C(=O)CCC3)s1 1506402360 NWPMZYRFUUWHEH-UHFFFAOYSA-N 347.440 3.944 0 50 EHAA Fc1ccc(N2CCC(NCCCC[C@H]3CCCO3)CC2)cc1F 1506407094 OAUGYBZOEUZMIQ-KRWDZBQOSA-N 338.442 3.873 0 50 EHAA C[C@H]1CN(Cc2nn(C)c3cccc(Cl)c23)CC[C@]1(O)C1CCC1 1565511727 DTCPLJMSTHCCCM-ORAYPTAESA-N 347.890 3.600 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@H](NCC2(CO)CCC2)c2ccccc21 1775998029 QMRTXBPRZQNOCM-INIZCTEOSA-N 346.471 3.625 0 50 EHAA COc1ccc2ncccc2c1NC(=O)c1cc(C(C)(C)C)on1 1875274879 XBOHVYUGYCSFLN-UHFFFAOYSA-N 325.368 3.781 0 50 EHAA CCNC(=O)c1cccc(CNCCc2c[nH]c3c(C)cccc23)c1 1875285012 ZSANWHXITJQIGT-UHFFFAOYSA-N 335.451 3.558 0 50 EHAA CC(C)(C)OC(=O)NCc1ccc(-c2cccc3nc(O)[nH]c23)o1 1875326554 LEIYDWVFNVWCSS-UHFFFAOYSA-N 329.356 3.553 0 50 EHAA Cc1c(C(=O)O[C@@H](C)c2ccc3c(c2)CCCC3)cnc2ccnn12 2325819993 XDWFQFMFZCTNQM-AWEZNQCLSA-N 335.407 3.835 0 50 EHAA Cc1ncc(F)c(-c2ccc(-c3cccc4c3OCCNC4)cc2)n1 2325857189 SHTWEMDWTJCALP-UHFFFAOYSA-N 335.382 3.740 0 50 EHAA O=C(OCc1ccsn1)c1ccc(Br)c(Cl)c1 2325874315 IEWYRJAWKXEKLS-UHFFFAOYSA-N 332.606 3.916 0 50 EHAA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 465536 OLSMKBRLRQKSSI-SECBINFHSA-N 341.782 3.922 0 50 EHAA CSc1ccc(CN(C(=O)[C@H](N)c2ccccc2)C2CC2)cc1 55281483 JMABMJDAQUMRAZ-GOSISDBHSA-N 326.465 3.600 0 50 EHAA C[C@@H](c1nccs1)N(C)Cc1ccc(Sc2ncccn2)o1 55108773 AZDLTFTVYLZQKY-NSHDSACASA-N 332.454 3.870 0 50 EHAA Cc1ccc(C(C)C)c(COC[C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)c1 22130503 AXXJCUIXRRRGQT-WSTZPKSXSA-N 333.516 3.974 0 50 EHAA CCOc1cc(CN2CCCC2)ccc1Oc1ccc(OC)nc1 67676154 RAPNLFIEHPTXII-UHFFFAOYSA-N 328.412 3.877 0 50 EHAA Cc1noc(CSCc2nc(CC(C)C)nn2-c2ccccc2)n1 65499222 OGFQSJSGMLBRSJ-UHFFFAOYSA-N 343.456 3.591 0 50 EHAA CC(C)c1noc2ncc(C(=O)N3CCc4cc(F)ccc4C3)cc12 122050147 CFZYEMBPDGQFOZ-UHFFFAOYSA-N 339.370 3.684 0 50 EHAA COc1ccccc1CC(=O)Nc1nc2cc(C(F)(F)F)ccc2[nH]1 153753257 FWXZSBPHDWWDLI-UHFFFAOYSA-N 349.312 3.772 0 50 EHAA COc1cccc2c1CC[C@H]2NC(=O)Nc1ccc2nc(C)oc2c1 157527654 CQRLFRGORUTIAT-OAHLLOKOSA-N 337.379 3.954 0 50 EHAA CCN(CCn1cccn1)C(=O)c1ccc2c(c1)c1ccccc1n2C 219337504 IIMNVSAWIYDFBH-UHFFFAOYSA-N 346.434 3.690 0 50 EHAA CCn1ncc(C(=O)N2CCC(Sc3ccccc3C)CC2)c1C 77455289 ZVXZZSWCHUTPBA-UHFFFAOYSA-N 343.496 3.917 0 50 EHAA O=C(N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CC[C@@H](C(=O)O)C1 263353737 WKDDYLNHPXSGPO-IPMKNSEASA-N 337.419 3.588 0 50 EHAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1cc(C)sc1C 285393781 FJXKSCLOSFQRHR-XNRPHZJLSA-N 347.484 3.536 0 50 EHAA Cc1cccc(-c2nn3c(NC[C@@H]4CCCO4)cc(C)nc3c2C)c1 40216809 KYKTWOHOBCHHAH-KRWDZBQOSA-N 336.439 3.912 0 50 EHAA NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nccc3ccccc23)cc1 426599599 NBZZHRAXOQJUMB-IBGZPJMESA-N 345.446 3.855 0 50 EHAA Cc1ccc2oc(C(=O)NC[C@@H](N)c3ccc(C(C)C)cc3)cc2n1 178876392 DZFHLUZXRHCSLP-MRXNPFEDSA-N 337.423 3.689 0 50 EHAA Cc1ccc(-c2cc(C(F)F)c3c(C)nn(CC(=O)O)c3n2)s1 20604134 SXUVZWWDMKHICM-UHFFFAOYSA-N 337.351 3.799 0 50 EHAA Cn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3cccs3)nc21 20604332 PBYYQJNVFRQLOG-UHFFFAOYSA-N 325.365 3.657 0 50 EHAA COc1ccc2c(C)c(C(=O)N3CCO[C@@H]4CCCC[C@H]43)oc2c1 91950669 YFHGRUXDDZGSBB-HZPDHXFCSA-N 329.396 3.533 0 50 EHAA O=C(Nc1ccc(F)cc1F)N1CCC(OCc2cccnc2)CC1 95519784 ZLHMYYDYXVSFSC-UHFFFAOYSA-N 347.365 3.573 0 50 EHAA FC(F)(F)CCCN1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 91830979 MGHDXSPCANXOQQ-DLBZAZTESA-N 326.406 3.925 0 50 EHAA CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1Cl 95831063 OUWDIEFMYZJWHR-UHFFFAOYSA-N 331.803 3.938 0 50 EHAA O=C(c1cnc(-c2ccncc2)nc1)N1CCCCC[C@@H]1c1ccco1 97657110 MPQBJIAQWULJKK-QGZVFWFLSA-N 348.406 3.889 0 50 EHAA CCN(CCN1CCCC1)C(=O)c1[nH]c2c(C)ccc(C)c2c1C 91365220 BKOYNBNNVJLOIN-UHFFFAOYSA-N 327.472 3.651 0 50 EHAA CNC[C@@H]1CCCN(C(=O)C[C@H](C)c2ccccc2C(F)(F)F)C1 237178897 HYCVULZFQKKRND-KBPBESRZSA-N 342.405 3.657 0 50 EHAA COc1cccc(Oc2ccc(NC(=O)[C@@H]3CCC[C@H](N)C3)cc2)c1 237276868 JYNQORLLJBSGRW-CABCVRRESA-N 340.423 3.944 0 50 EHAA COc1cccc([C@H]2CCN2C(=O)c2ccc3cccc(F)c3n2)c1 91657235 NZOYAHQSLPAZIO-GOSISDBHSA-N 336.366 3.970 0 50 EHAA Cc1noc(C)c1NC(=O)CCc1cccc(F)c1Br 294698451 LBUYKGFRYHXWSY-UHFFFAOYSA-N 341.180 3.764 0 50 EHAA CCOC(=O)c1c(F)ccc(Br)c1Br 263624963 VPLPUNQYWAIXNX-UHFFFAOYSA-N 325.959 3.527 0 50 EHAA CC(C)c1nc(O)ccc1C(=O)N1CCCC[C@H]1c1ccccn1 1940196117 LNMYJOMZNJSENB-INIZCTEOSA-N 325.412 3.673 0 50 EHAA Cc1cccc(N2CCC(NCc3ccc(-n4ccnc4)cc3)CC2)c1 952983969 SILDPTDNRYBPIY-UHFFFAOYSA-N 346.478 3.939 0 50 EHAA C[C@]1(C2CC2)COCCN1C(=O)c1cc(Oc2ccccc2)ccn1 890585536 RDLGYCIHPVHKOY-HXUWFJFHSA-N 338.407 3.515 0 50 EHAA Cc1cc(CN[C@@H](CCNC(=O)OC(C)(C)C)c2ccccc2)on1 1775991645 LRVRAIDGDOPVBO-KRWDZBQOSA-N 345.443 3.729 0 50 EHAA Cc1ncsc1CN1C[C@@H]2CC[C@H]1CN(Cc1ccc(F)cc1)C2 1565529663 OLIQJVHVQZKSHK-AEFFLSMTSA-N 345.487 3.687 0 50 EHAA CCc1nsc(Sc2nnc(-c3cccc(Cl)c3)n2C)n1 301955196 LBWLOQPWUOKRCA-UHFFFAOYSA-N 337.861 3.701 0 50 EHAA CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C32CC2)c1 210215811 BCOXGFMTAINHFQ-XEZPLFJOSA-N 344.842 3.631 0 50 EHAA CO[C@@H]1CCC[C@]12CCCN(c1nc3cc(C)ccc3cc1CO)C2 1704307784 KOSQSSWNMCAJCX-TZIWHRDSSA-N 340.467 3.821 0 50 EHAA C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)CC1=O 1072298 BWMGRHSZLQLCAV-HIFRSBDPSA-N 342.826 3.888 0 50 EHAA Cc1cccc(-n2ncc3c(NCc4ccc(F)cc4)ncnc32)c1 426475 XWLTVLWNCCPMKG-UHFFFAOYSA-N 333.370 3.875 0 50 EHAA COc1ccc(S(=O)(=O)N2CCCCCC2)c(Cl)c1Cl 479541 DTIMBNHYSZZICO-UHFFFAOYSA-N 338.256 3.567 0 50 EHAA CCCOc1ccccc1-c1nnc(N(C)CCC[C@@H]2CCCO2)o1 1772705073 KJLDOMQVBQKEEC-OAHLLOKOSA-N 345.443 3.921 0 50 EHAA CCc1nc(-c2cccc3c4c([nH]c23)CCCC4)n([C@H]2CCOC2)n1 1772809974 BKNHWTMQSHCWNC-ZDUSSCGKSA-N 336.439 3.829 0 50 EHAA CCc1ccc(CN2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)o1 12197803 ADPRHUUZWKLORV-OAHLLOKOSA-N 341.407 3.666 0 50 EHAA CC(C)N1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 12382518 IRENSBLOCIBPKX-UHFFFAOYSA-N 336.479 3.885 0 50 EHAA O=C(C1CCC1)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 12755203 SZPJZHMTZNJYPH-OAQYLSRUSA-N 346.515 3.598 0 50 EHAA Cc1ccc(C)c(OC[C@@H](O)Cn2c(C3CC3)nc3ccccc32)c1 16903747 JHMHATQCCXPKAJ-KRWDZBQOSA-N 336.435 3.970 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(CO)[C@@H]3CC[C@]12C 5228762 FIHWBGCIKMXLBI-RLLAOZKESA-N 330.468 3.696 0 50 EHAA COc1ccc(O[C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 4855168 NIZKFMGRFDMJLK-LBPRGKRZSA-N 326.352 3.894 0 50 EHAA COc1ccc(Cl)cc1C(=O)Nc1nnc(C(C)(C)C)s1 4592222 IKAUBGIJYDBMKO-UHFFFAOYSA-N 325.821 3.750 0 50 EHAA Cc1cccc(CN2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n1 247864284 HRYYBIJZCQINNP-YADHBBJMSA-N 332.447 3.894 0 50 EHAA CSc1ccccc1[C@H](C)NC(=O)N[C@H]1CCCc2cn[nH]c21 252504221 VIKIDVBQRUZYNB-FZMZJTMJSA-N 330.457 3.569 0 50 EHAA CC[C@@H](NC(=O)CCCC1CCOCC1)c1nc2ccccc2[nH]1 253394994 KOWATZMFUOIDMU-OAHLLOKOSA-N 329.444 3.727 0 50 EHAA COc1ccccc1[C@@H](C)NCc1ccc(Cn2ccccc2=O)cc1 161060223 OSISHSKTGPGCBS-QGZVFWFLSA-N 348.446 3.756 0 50 EHAA O=C(O)c1csc(CN2CCC(c3nc4c(s3)CCC4)CC2)c1 903917846 ZCCMJKMULNCOKX-UHFFFAOYSA-N 348.493 3.771 0 50 EHAA CC(C)Cc1ccc(-c2noc(-c3cc(C(C)C)nn3C)n2)c(O)n1 904230735 APYHTVCMZTXRJK-UHFFFAOYSA-N 341.415 3.560 0 50 EHAA O=C(c1c[nH]c(Br)c1)N1CCC=C(c2ccccc2)C1 1257538366 YWESHEGYHKLQGS-UHFFFAOYSA-N 331.213 3.707 0 50 EHAA COc1ccc2nc(CN3CCC[C@H]3CCc3ccccn3)[nH]c2c1 2325793168 JNKWZDNTQLXCMP-INIZCTEOSA-N 336.439 3.564 0 50 EHAA O=C(O)C[C@@H](NC(=O)c1cc2ccccc2s1)c1ccsc1 2325805349 BXMCHAUAKZJVRH-GFCCVEGCSA-N 331.418 3.909 0 50 EHAA OCc1ccc(Sc2cn(CC[C@@H]3C[C@H]4CC[C@H]3C4)nn2)cc1 2325824099 PDZGBTBMXFJEIJ-HRCADAONSA-N 329.469 3.748 0 50 EHAA COc1ncccc1NS(=O)(=O)c1cc(C)c(Cl)cc1Cl 2325854265 VNZIRUHYOSIXAJ-UHFFFAOYSA-N 347.223 3.506 0 50 EHAA C[C@@H](NCc1cccc2ncccc12)c1cccc(-n2cnnc2)c1 2325857354 YQONZJAWEAPGSM-OAHLLOKOSA-N 329.407 3.666 0 50 EHAA FC(F)(F)c1nc2ccccn2c1-c1nc(Cc2ccccc2)no1 904317754 HRCMWXOTQMEKRZ-UHFFFAOYSA-N 344.296 3.994 0 50 EHAA COC(=O)c1sccc1NC(=O)CSc1ccc(Cl)cc1 80319 UOZNOXMWCRKJFD-UHFFFAOYSA-N 341.841 3.919 0 50 EHAA CCCC(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2 106415 AQKFETWKDOTHNP-UHFFFAOYSA-N 331.393 3.754 0 50 EHAA COc1cccc(CN2CCC(N3CCCCCC3)CC2)c1OC 207655 IAKOXWWDAONPLP-UHFFFAOYSA-N 332.488 3.544 0 50 EHAA COc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 281039 GECKLPJACZKPKI-UHFFFAOYSA-N 330.409 3.559 0 50 EHAA CCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 372867 CSTDNFIEDDNODA-UHFFFAOYSA-N 334.466 3.690 0 50 EHAA COc1ccc(Cl)cc1NC(=O)Oc1c(OC)cccc1OC 401892 IHTDJKOFVKVODM-UHFFFAOYSA-N 337.759 3.977 0 50 EHAA O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc2c(c1)OCO2 568444 OPFINYBEZRWEPA-UHFFFAOYSA-N 344.798 3.921 0 50 EHAA Cc1nn(-c2ccccn2)c2c1-c1nc(-c3ccccc3)ncc1CC2 1422549 UGRHDGDMCGHIRX-UHFFFAOYSA-N 339.402 3.798 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 1473876 YBZCNJSCFBNMLR-MRXNPFEDSA-N 330.428 3.564 0 50 EHAA Cc1ccc(F)c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1 2752038 RYKFRBODXUOAON-UHFFFAOYSA-N 341.308 3.866 0 50 EHAA Cc1cnn(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)c1 2855963 VBOZSJJBXTYJCP-UHFFFAOYSA-N 342.390 3.587 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F 2863321 XHAOSQRWRRWHOH-UHFFFAOYSA-N 349.658 3.833 0 50 EHAA C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccco2)cc1 4841489 FZZSXFRXUSFYSQ-ZDUSSCGKSA-N 343.452 3.785 0 50 EHAA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N(C)C)cc1 4873492 RLGFFKYPXYNFAY-KAMYIIQDSA-N 347.418 3.649 0 50 EHAA COc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 6714644 FNVRIHXUASKFDW-UHFFFAOYSA-N 345.830 3.703 0 50 EHAA CCN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccc(C)cc1 7759436 NDUOUMGOFVOJLV-UHFFFAOYSA-N 335.407 3.636 0 50 EHAA CSc1ccccc1OCc1cc(C(=O)N2CCC[C@@H](C)C2)no1 12590343 BCUJGALTCWGBHZ-CYBMUJFWSA-N 346.452 3.848 0 50 EHAA Cc1nnc(CN(C)C(=O)C[C@H](c2ccccc2)c2ccccc2C)o1 12718352 ZPJGJBAGPAWMEG-LJQANCHMSA-N 349.434 3.867 0 50 EHAA O=S(=O)(Cc1ccccc1)NCc1ccc(Cl)cc1Cl 12917671 DRIKTYUNOYDUPU-UHFFFAOYSA-N 330.236 3.613 0 50 EHAA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](C)[C@@H]1CCCO1 16603406 LYDVQVPIQPPGQF-SWHYSGLUSA-N 346.254 3.835 0 50 EHAA CC(C)n1cc(CN2CCC[C@@H](N(C)CCc3ccccc3)C2)cn1 19300166 WAVWIMPISAZSCG-OAQYLSRUSA-N 340.515 3.603 0 50 EHAA c1ccc(N2CCN([C@@H]3CCCN(C4CCCCC4)C3)CC2)cc1 19743229 YVCBPWXTVRNUHL-OAQYLSRUSA-N 327.516 3.606 0 50 EHAA CCSc1nc(SCC)c2c3c(sc2n1)CN(C)CC3 19758916 GNDWBHASIUDOKH-UHFFFAOYSA-N 325.528 3.903 0 50 EHAA COCc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)s1 19836889 KKNOAYABTCCGKR-UHFFFAOYSA-N 334.422 3.765 0 50 EHAA CC(=O)c1cccc(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)c1 20906693 ZEFFUBUZTGTKRV-HSZRJFAPSA-N 348.490 3.912 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)c2cc(F)c(F)cc2Cl)on1 21718636 BHKLOJSMGVPYHZ-CYBMUJFWSA-N 326.730 3.892 0 50 EHAA Cc1cc(C)n(-c2ccc(N3CCC(NC4CC=CC4)CC3)cc2)n1 23399258 YZXIKPWWUZSXBE-UHFFFAOYSA-N 336.483 3.766 0 50 EHAA CCc1nn(-c2ccccc2)c(NC(=O)c2ccc3c(c2)CCO3)c1C 55382864 QNKQLAKAZKZTAH-UHFFFAOYSA-N 347.418 3.930 0 50 EHAA Cc1cccc(-n2nc(C)nc2[C@@H]2CC(=O)OC23CCCCC3)c1 65405360 YFGHSZOHYUBGRT-INIZCTEOSA-N 325.412 3.618 0 50 EHAA CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1sccc1Cl 67739871 QNCQIRTWELOQEX-UHFFFAOYSA-N 333.800 3.724 0 50 EHAA CC(C)CN(C(=O)c1cc(CN(C)Cc2ccccc2)on1)C1CC1 67788826 XWHUWOAIPSFVAZ-UHFFFAOYSA-N 341.455 3.567 0 50 EHAA Cc1ccoc1C(=O)N1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 67975773 KQCKGSAVLLONRA-QGZVFWFLSA-N 333.391 3.675 0 50 EHAA CSc1ccc(-c2nc(CN3CCC[C@H](CO)C3)c(C)o2)cc1 71479558 DCADMCKJEIAFCS-AWEZNQCLSA-N 332.469 3.576 0 50 EHAA Cc1nc2ccccc2nc1CN1C[C@@H](Cc2ccccc2)CC1=O 95525764 ZBIWZYPDTGEBCO-KRWDZBQOSA-N 331.419 3.529 0 50 EHAA COc1ccccc1N1CC[C@H](Nc2nc3cc(F)ccc3o2)C1 130040244 YGHYIRQEUULACN-ZDUSSCGKSA-N 327.359 3.666 0 50 EHAA C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC(n2cncn2)CC1 156648726 AUQPOWMCYBTVAZ-GFCCVEGCSA-N 340.349 3.575 0 50 EHAA O=C(N[C@@H]1CCOC2(CCCC2)C1)c1ccc2ccccc2c1O 159800355 RWOMJZVTVHBQKT-OAHLLOKOSA-N 325.408 3.767 0 50 EHAA C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC[C@]2(CC=CCC2)C1 170626846 SGEOMYZUQAJSPT-LAUBAEHRSA-N 346.515 3.810 0 50 EHAA COCC1CCN(C(=O)NCCc2csc3ccccc23)CC1 171933926 XFHLOYCLMCTXAR-UHFFFAOYSA-N 332.469 3.512 0 50 EHAA CC(C)Cn1ccnc1NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 186139141 HUBLNNWZLXDTGV-RYUDHWBXSA-N 337.345 3.699 0 50 EHAA Cc1ccc(N2CCC(NC(=O)c3csc(Cl)c3)CC2)nc1 187951784 OMPILPDLDLYAGR-UHFFFAOYSA-N 335.860 3.504 0 50 EHAA C[C@H](C1CC1)n1nccc1NC(=O)NCc1ccc2ncccc2c1 193881188 OYZDANIGPBBUMO-CYBMUJFWSA-N 335.411 3.724 0 50 EHAA COCC1=CCN(C(=O)Nc2nc3c(s2)CCCCCC3)CC1 194518961 DQCVBLDFMGJYHP-UHFFFAOYSA-N 335.473 3.613 0 50 EHAA c1ccc(COc2ccc(CN3CCC[C@H](c4ncn[nH]4)C3)cc2)cc1 215546866 ZFMPYIRTMIRBFL-IBGZPJMESA-N 348.450 3.763 0 50 EHAA CCc1cccc(C)c1NC(=O)CCN(C)CC[C@@H]1CCCCO1 244884037 YDYOSWMUXLSKKZ-SFHVURJKSA-N 332.488 3.777 0 50 EHAA CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@H](C)[C@@H]1OC(=O)[C@H]1C 248201916 WOISDAHQBUYEAF-GQYVHVGUSA-N 338.488 3.769 0 50 EHAA biogenic O=C(NCC1(c2ccccc2)CCCCC1)[C@@H](O)c1ccc(F)cc1 252496838 PSUDVLGOEYUCSI-IBGZPJMESA-N 341.426 3.877 0 50 EHAA COc1cccc(CN2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1OC 275523107 LFCOJJGNWMKNLI-KRWDZBQOSA-N 341.455 3.643 0 50 EHAA Cc1nc(CCN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cs1 277100724 TZBZBYJUQHRNGA-CVEARBPZSA-N 340.851 3.906 0 50 EHAA COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1cnc(C)nc1C 286711380 CPNBLQBHTSALPK-UGSOOPFHSA-N 339.439 3.715 0 50 EHAA Cc1cc2occ(CC(=O)NC[C@@H]3CCCOC3)c2c(C)c1Cl 299794629 KUYLBEKBDWUNGF-ZDUSSCGKSA-N 335.831 3.788 0 50 EHAA Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c(Cl)c1 409422240 CWCVWYQXUQWCRI-STQMWFEESA-N 339.819 3.684 0 50 EHAA C[C@@H](Cc1ccncc1)NC(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 413351620 AZTOCOWNGQLBMC-FXAWDEMLSA-N 349.478 3.992 0 50 EHAA CC(C)CCO[C@@H](C)c1nc(-c2cn(C)nc2C(F)(F)F)no1 426228210 PPLIOXGYCDMUCC-VIFPVBQESA-N 332.326 3.613 0 50 EHAA CSc1cccc(CN(C)c2cc([C@H]3CCOC3)nc(C)n2)c1 426444631 PLLJQDFOKCLDKI-HNNXBMFYSA-N 329.469 3.647 0 50 EHAA CCN(CCN1CCCCCC1)C(=O)c1[nH]c2c(F)cccc2c1C 426506837 QJVRQOBUIYDRJL-UHFFFAOYSA-N 345.462 3.954 0 50 EHAA C[C@H](c1cccc(-c2ccc(-c3nccn3C)nn2)c1)N1CCCC1 426544789 LRZKRYGOLLKPDS-OAHLLOKOSA-N 333.439 3.701 0 50 EHAA Cc1cccnc1CNC(=O)N(Cc1ccncc1)C1CCCCC1 426571424 GSTCSIJVSXMQMY-UHFFFAOYSA-N 338.455 3.830 0 50 EHAA CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2ccccc2-n2cccn2)cc1 437220275 LZGJUYRQOYPDKZ-RBUKOAKNSA-N 347.418 3.557 0 50 EHAA Cc1cc(C(=O)N(C(C)C)C2CC(C)(C)C2)ccc1-n1cncn1 457082617 XZWAJARJXZVQHX-UHFFFAOYSA-N 326.444 3.615 0 50 EHAA O=C(c1cccc(CO)c1)N1CCC(c2cc3ccccc3[nH]2)CC1 813426355 DRHQTRGSKNKASY-UHFFFAOYSA-N 334.419 3.680 0 50 EHAA C[C@H](Cc1ccsc1)NC(=O)[C@@H](N)c1cccc(C(F)(F)F)c1 876612055 AHNWAWLSYQJUTC-YGRLFVJLSA-N 342.386 3.514 0 50 EHAA COc1c(Cl)cccc1CNC(=O)C1(c2cccnc2)CCCC1 887427274 KEECWMAYKGLNMP-UHFFFAOYSA-N 344.842 3.872 0 50 EHAA CN(C(=O)C[C@@H]1CCNC[C@H]1F)c1ccc(Oc2ccccc2)cc1 888101859 PNLBINQLSTWINK-HNAYVOBHSA-N 342.414 3.779 0 50 EHAA C[C@@H](C1CC1)n1cc(NC(=O)c2nc(-c3ccccc3)ns2)cn1 902923814 PUSVVLYLWAFGJY-NSHDSACASA-N 339.424 3.625 0 50 EHAA Cc1ccccc1-c1ncc(CN2CCCN3CCC[C@H]3C2)s1 1506396072 HJKPQKVQWSCRFC-INIZCTEOSA-N 327.497 3.789 0 50 EHAA Cc1ccc(NC(C)(C)C(=O)NC[C@H](C)N(C)c2ccccc2)cc1 1506398670 PXXAABKJWZZLEK-KRWDZBQOSA-N 339.483 3.827 0 50 EHAA Cc1cc(F)ccc1N1CCC(NC[C@H](c2ccco2)N(C)C)CC1 1506429304 SXNPPEWYSZSILH-LJQANCHMSA-N 345.462 3.588 0 50 EHAA C[C@]1(O)CCN(c2ncnc3ccsc23)C[C@H]1Cc1ccccc1 1565516939 ADWZLVRZGWZGTH-BEFAXECRSA-N 339.464 3.511 0 50 EHAA CCCc1cnc(C)nc1N[C@H](CC)c1ccc(S(C)(=O)=O)cc1 1704303947 JOMUKSVNUOXLEE-QGZVFWFLSA-N 347.484 3.704 0 50 EHAA O=C(c1cccnc1NCc1csc2c1CCCC2)N1CCCC1 1704347861 PWEGWEVEFNFTHR-UHFFFAOYSA-N 341.480 3.870 0 50 EHAA c1cc(SCc2nnc(NCCCC[C@H]3CCCO3)o2)ccn1 1772704560 CIOXIGHRESMGNL-ZDUSSCGKSA-N 334.445 3.518 0 50 EHAA Cc1cc(C)c2nc(O)c(-c3nccn3[C@H]3CCCC[C@@H]3O)cc2c1 1857692195 STWYTRKEJAKCIC-IRXDYDNUSA-N 337.423 3.897 0 50 EHAA Cc1cc(-n2ccnc2C)ccc1CNc1ccc([S@@](C)=O)cc1 1875311128 NYOJNASCPKUBGM-XMMPIXPASA-N 339.464 3.839 0 50 EHAA COc1cc(S(=O)(=O)Nc2ccccc2Cl)c(C)cc1C 1875319235 UQGCKSXYOCLHBA-UHFFFAOYSA-N 325.817 3.766 0 50 EHAA CCC(=O)Nc1c(Br)cc(OC)cc1Br 1875320965 PAKDIMDWELEVHK-UHFFFAOYSA-N 337.011 3.569 0 50 EHAA CC[C@H](C)[C@@H](C)NC(=O)c1c(NC(=O)C(C)(C)C)cccc1OC 1875357460 IFLRLFYEVYXCJD-QWHCGFSZSA-N 334.460 3.844 0 50 EHAA O=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCC([C@H]2CCCN2)CC1 2325786472 OGZWKJVGYFLXRW-OAHLLOKOSA-N 349.837 3.565 0 50 EHAA CCCCc1oc2ccccc2c1C(=O)N1CCN2CCC1CC2 2325863188 ZGEPSHRWWJPTBP-UHFFFAOYSA-N 326.440 3.696 0 50 EHAA CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccccc2)cc1 53290 VXKIFJJSRABCGE-QGZVFWFLSA-N 349.477 3.522 0 50 EHAA CC(=O)Oc1cn(C(C)=O)c2ccc(Br)c(Cl)c12 56442 DSHQTSIXXYZXGR-UHFFFAOYSA-N 330.565 3.643 0 50 EHAA O=C1c2ccccc2[C@](O)(Cc2ccccc2)N1Cc1ccccc1 86559 BWVGTRJSWMMDPX-JOCHJYFZSA-N 329.399 3.730 0 50 EHAA CN(C)CCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12 112185 WAZQPMOJYKQVKE-UHFFFAOYSA-N 326.831 3.924 0 50 EHAA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2Cl)cc1 454137 KDBYXIAQNDHWSQ-UHFFFAOYSA-N 334.828 3.866 0 50 EHAA Cc1ccc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 609291 NHOGWTWPDLHGFN-CYBMUJFWSA-N 329.421 3.521 0 50 EHAA N=C1Nc2nc3ccccc3n2[C@H](c2ccc(Cl)cc2Cl)N1 1408185 NFLCLMQFIWHNOP-CYBMUJFWSA-N 332.194 3.840 0 50 EHAA CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccccc1C(F)(F)F 2575650 YQJFIZXCXGBMPB-NSHDSACASA-N 347.333 3.616 0 50 EHAA O=C(Nc1nc2ccc(Cl)cc2s1)[C@H]1COc2ccccc2O1 2873795 NIJPEWLTJQLGMQ-CYBMUJFWSA-N 346.795 3.728 0 50 EHAA COc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1 2978536 GCIUQADNNHOVNJ-UHFFFAOYSA-N 336.416 3.975 0 50 EHAA Cc1ccc(OCCSc2nc3c(N)ncnc3[nH]2)c(C(C)C)c1 2987891 OBBXZJBPWFJPQI-UHFFFAOYSA-N 343.456 3.538 0 50 EHAA biogenic CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(-c2ccccc2)cs1 4542072 HQAMXLLDPLRSIV-MRXNPFEDSA-N 342.420 3.606 0 50 EHAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 4839828 FEFRJWVFJQKNDP-ZUZCIYMTSA-N 337.297 3.872 0 50 EHAA Cc1ccccc1OCc1nn2c(-c3ccoc3C)nnc2s1 6702554 JDXNSVWCTGKHCN-UHFFFAOYSA-N 326.381 3.642 0 50 EHAA Cc1ccc(Cl)cc1N1CCN(C(=O)N2CCC(C)CC2)CC1 7504452 XZTXVAGEMXRLSI-UHFFFAOYSA-N 335.879 3.622 0 50 EHAA Cc1cccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 7720183 VORHEFVKZBNWNR-UHFFFAOYSA-N 341.798 3.971 0 50 EHAA O=C(c1c(F)cccc1F)N1CCN(c2cccc(Cl)c2)CC1 13331557 YXDIYURIMYHGIC-UHFFFAOYSA-N 336.769 3.581 0 50 EHAA O=C(O)[C@@H]1CCCN(CCOC(c2ccccc2)c2ccccc2)C1 13729362 AJIVDPRFDWUDNX-LJQANCHMSA-N 339.435 3.589 0 50 EHAA Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccncc2)cc1 14552674 LJESZTMDXORQGK-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA CCNC(=O)c1sc2ncnc(N[C@H](C)c3cccs3)c2c1C 14972656 LQYMZZDGTOZLNF-SNVBAGLBSA-N 346.481 3.984 0 50 EHAA Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)c1ccoc1 15062006 BNJAQTPNOQNZFW-ZDUSSCGKSA-N 342.443 3.638 0 50 EHAA CC(C)(C)NC(=O)c1coc(COc2ccc(F)cc2Cl)n1 15074156 MPRZEGUEZNPMTF-UHFFFAOYSA-N 326.755 3.574 0 50 EHAA CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(F)c2)cc1 20402130 IOMYRTBBKDJFSJ-SFHVURJKSA-N 340.398 3.631 0 50 EHAA CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2C=O)C1 52507734 XTLAVSHUEBPITK-CQSZACIVSA-N 338.835 3.646 0 50 EHAA CCCc1nc(CN(CC)C(=O)C2(c3ccccc3)CCCC2)no1 63872574 CWFRPXZXJQTIFF-UHFFFAOYSA-N 341.455 3.883 0 50 EHAA COc1ccc2c(c1)c(C(=O)N(C)[C@@H](C)c1nccs1)c(C)n2C 65397666 IMMXQGNQMXWHCR-LBPRGKRZSA-N 343.452 3.785 0 50 EHAA Cc1nc(C)n(Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)n1 67672945 HRYBZOXJFQCSFS-UHFFFAOYSA-N 336.317 3.925 0 50 EHAA C[C@@H](CO)N(C)C(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 72422745 YRGCKQNPTBVCQH-LBPRGKRZSA-N 342.826 3.941 0 50 EHAA CSc1cccc(CN(C)C(=O)c2cccc(-n3cccn3)c2)c1 77354197 NWEDQCBEWJOAPV-UHFFFAOYSA-N 337.448 3.866 0 50 EHAA CCc1nnsc1C(=O)N1CCC(Sc2ccccc2C)CC1 77407364 BMGJSWIEQKFJRI-UHFFFAOYSA-N 347.509 3.806 0 50 EHAA COc1ccc(OC)c([C@@H]2CCN(C(=O)CCc3ccsc3)C2)c1 77459315 IENBJBWOQYYEKC-OAHLLOKOSA-N 345.464 3.714 0 50 EHAA Cc1c([C@@H](C)NC(=O)c2ccnc(C(C)C)n2)cnn1-c1ccccc1 91326677 BDJREVANRBOZFX-CQSZACIVSA-N 349.438 3.585 0 50 EHAA Cc1ccc(C)c2c(C)c(C(=O)N3CCN[C@@H](c4ccccc4)C3)[nH]c12 91769855 ILHVHRXSMAXBII-GOSISDBHSA-N 347.462 3.880 0 50 EHAA COc1ccc([C@H](CC(=O)NCc2nc[nH]c2C)c2ccccc2)cc1 95530369 GENXODXYOXSRAY-LJQANCHMSA-N 349.434 3.565 0 50 EHAA CCc1cnc(C)nc1N1CCC(NCc2ccc3cc[nH]c3c2)CC1 96132719 SHBHSJUHFSMYLU-UHFFFAOYSA-N 349.482 3.587 0 50 EHAA O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc2ccccc2cc1O 159530746 UKMKOKSABQJXSM-INIZCTEOSA-N 325.408 3.767 0 50 EHAA Cc1ccc2[nH]c(C(=O)NCc3cn4cccc(C)c4n3)cc2c1C 170629567 DUMPJMBGZLLYQK-UHFFFAOYSA-N 332.407 3.671 0 50 EHAA NC[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)C1 178519354 ZKXPQXYWLGGCDM-LBPRGKRZSA-N 348.805 3.692 0 50 EHAA Cc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)c1 181330320 HNXXFPHKDQBRMF-GOSISDBHSA-N 346.434 3.800 0 50 EHAA c1ccc(-c2n[nH]cc2CNC[C@@H]2CCO[C@H]2c2ccccc2)cc1 192376285 FPNJMOWEHIXHMB-RXVVDRJESA-N 333.435 3.944 0 50 EHAA Cc1ccoc1C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F 225406722 DZADWISTJFPHGM-FZMZJTMJSA-N 339.313 3.555 0 50 EHAA CC(C)n1ncnc1CNC(=O)c1ccccc1N(C)c1ccccc1 241231105 KSBUAHTYVJBBHO-UHFFFAOYSA-N 349.438 3.557 0 50 EHAA C[C@@H](NC(=O)N[C@H]1CC[C@@H](CO)CC1)c1ccccc1C(F)(F)F 241784804 RWWYCTACFZHBTC-UPJWGTAASA-N 344.377 3.617 0 50 EHAA CC(C)c1nnc(CCC(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)o1 245415408 GFKOLGJKSUVJKM-INMHGKMJSA-N 341.455 3.919 0 50 EHAA C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1csc(-c2ccncc2)n1 252537776 MHTCPONULSBMCD-BDJLRTHQSA-N 337.404 3.708 0 50 EHAA C[C@H](NC(=O)C12CCCN1CCC2)c1ccccc1C(F)(F)F 367979153 XBDPPAVSVOPXAJ-LBPRGKRZSA-N 326.362 3.511 0 50 EHAA O=C(NCC1(Cn2cccn2)CC1)[C@]1(c2ccccc2)CC12CCCC2 426478750 KRLLBTGOQLGGKY-JOCHJYFZSA-N 349.478 3.682 0 50 EHAA CC(C)(C)OC(=O)N1[C@H]2CC[C@H](COc3ccc(F)cn3)[C@H]1CC2 498050872 JJKONTFXNFFKQB-VHDGCEQUSA-N 336.407 3.778 0 50 EHAA Cn1nnc2cc(CN[C@H]3CCCOc4cc(Cl)ccc43)ccc21 678969701 QTMIFNDTJRQHLR-HNNXBMFYSA-N 342.830 3.625 0 50 EHAA CCn1nc(C)c([C@H](C)NC(=O)c2ccc3sc(C)nc3c2)c1C 823593454 VITBLCAZSDUCHH-JTQLQIEISA-N 342.468 3.929 0 50 EHAA CC(C)N[C@H]1CCCN(C(=O)c2cc3c(C4CC4)cccc3[nH]2)C1 878577478 KHLXRDXDBIBLJK-HNNXBMFYSA-N 325.456 3.648 0 50 EHAA CS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2C2CCC2)c1 929870932 PLRWITGQMNLPKF-UHFFFAOYSA-N 344.436 3.578 0 50 EHAA [O-][n+]1ccccc1SCCCN1CCC(Cc2ccccc2)CC1 952880263 CFFZTWLHVXFOCC-UHFFFAOYSA-N 342.508 3.757 0 50 EHAA O=C(Cc1ccc(CO)cc1)N1CCCC[C@@H]1CCc1cccs1 1506396632 IWBNEJBVQAJFCB-GOSISDBHSA-N 343.492 3.797 0 50 EHAA Cc1ccc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccccn2)C3)s1 1565512394 BIYJKHXGUZDYAB-AEFFLSMTSA-N 327.497 3.548 0 50 EHAA CC(C)(C)[C@H]1CN(Cc2noc(C3CC3)n2)C[C@@H](c2ccccc2)O1 1857723892 BBTNLOFOJBPWLG-DLBZAZTESA-N 341.455 3.935 0 50 EHAA Fc1cc(-c2cnc(C3CCOCC3)o2)ccc1Cn1cccn1 1875272512 VDLORCSVDTZVNF-UHFFFAOYSA-N 327.359 3.620 0 50 EHAA C[C@H](Oc1ccc(Cl)nc1)c1nc(-c2ccc(Cl)cn2)no1 1875317218 RIGPQWJVWKJBJT-QMMMGPOBSA-N 337.166 3.973 0 50 EHAA O=C(NCCCCc1ccc(F)c(F)c1)C(F)(F)c1cncs1 2325769887 KKZXWPATRKHEBC-UHFFFAOYSA-N 346.349 3.652 0 50 EHAA CSC[C@H]1C[C@@H](NC(=O)c2ccc(Oc3cccnc3)cc2)C1 2325791354 RCQWPUNIYCBKOJ-OTVXOJSOSA-N 328.437 3.745 0 50 EHAA O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCCCCC1 68896 MBRMOBDUCLMTMR-UHFFFAOYSA-N 348.402 3.503 0 50 EHAA O=S(=O)(NC1CCCCC1)c1ccc(Cl)c(C(F)(F)F)c1 74657 CTQYVWZEZCCKGB-UHFFFAOYSA-N 341.782 3.970 0 50 EHAA COc1ccc(OCc2oc3ccc(OC)cc3c2C(=O)O)cc1 118659 LUKHXNMIVRBLQT-UHFFFAOYSA-N 328.320 3.727 0 50 EHAA COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccco1 255887 XXNUUTXBONSWPC-UHFFFAOYSA-N 336.347 3.793 0 50 EHAA COc1ccc(CNC(=O)/C=C/c2ccc(Br)cc2)cc1 376306 BSNMDPRZVLBCGU-IZZDOVSWSA-N 346.224 3.787 0 50 EHAA Cc1ccc(/C=C/C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1 475478 VWPDXIODABKARI-BQYQJAHWSA-N 330.815 3.603 0 50 EHAA COc1ccc(N[C@@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1 1055691 BKXMZELDBVMKRC-OAHLLOKOSA-N 328.393 3.642 0 50 EHAA CCCCOC(=O)c1cccc(NC(=O)COc2ccccc2)c1 1801365 XMLVUTFJDFJMAG-UHFFFAOYSA-N 327.380 3.661 0 50 EHAA biogenic CC(=O)N(C)c1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 2761225 YCLIAQUFKAREIX-HNNXBMFYSA-N 340.423 3.692 0 50 EHAA CCN(CC)c1ccc2cc(C(=O)NCc3ccccc3)c(=N)oc2c1 4645950 MNFDHIMZDCZTPV-UHFFFAOYSA-N 349.434 3.688 0 50 EHAA Cc1cc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl 4841524 CEFCXKPANYSTOC-GFCCVEGCSA-N 347.798 3.826 0 50 EHAA C[C@@H](NC(=O)c1cccs1)c1nc(-c2ccccc2Cl)no1 4998096 VRPOAGACSHVCDG-SECBINFHSA-N 333.800 3.943 0 50 EHAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccoc1C 10537063 FVFKPEYAYYKYHJ-UHFFFAOYSA-N 325.368 3.609 0 50 EHAA CC(C)(CO)CN[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 11949573 WJVBHVXZQQBUJJ-KRWDZBQOSA-N 345.462 3.633 0 50 EHAA Cc1ccc(C)c([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCCN24)c1 12225024 PRXCDYZMVWLTGA-XJABCFGWSA-N 338.495 3.984 0 50 EHAA O=C(c1cncs1)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 12242538 UOWTXMXZEDBNGM-UHFFFAOYSA-N 338.436 3.553 0 50 EHAA CC[C@H](C)N[C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 14989481 LBAWGNYBAXPYOM-DOTOQJQBSA-N 326.488 3.994 0 50 EHAA Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(CC(=O)O)c3n2)cc1 20349733 QTPRZUPRJWFLEF-UHFFFAOYSA-N 349.312 3.819 0 50 EHAA CCCCn1nc(C)c2c(C(=O)N3CCCC3)c(Cl)c(C)nc21 20606505 DREQUQUDQILQKO-UHFFFAOYSA-N 334.851 3.738 0 50 EHAA Cc1nc(Nc2ccc(NC(=O)C(C)C)cc2)cc(N2CCCC2)n1 21794129 FSQUSEFKVICJCS-UHFFFAOYSA-N 339.443 3.723 0 50 EHAA COc1ccc(/C=C(/NC(=O)c2cccc3ccccc23)C(=O)O)cc1 22478494 CKHCMZNOXCOJFO-CPNJWEJPSA-N 347.370 3.704 0 50 EHAA OCC[C@@H]1CN(Cc2ccc3ccccc3c2)CCN1C1CCCC1 23359202 IEAFLVFADOKGFP-JOCHJYFZSA-N 338.495 3.651 0 50 EHAA C[C@H](c1ccncn1)N(C)Cc1cn(C)nc1-c1cccc(Cl)c1 23478622 HMKDIWYKXINUHS-CYBMUJFWSA-N 341.846 3.724 0 50 EHAA O=C1C[C@H](c2ccc(F)cc2)c2ncn(-c3cccc(F)c3)c2N1 40287967 CTOFIMKBSVTESW-OAHLLOKOSA-N 325.318 3.625 0 50 EHAA CCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2nccs2)cc1C 55182600 PBTVZTSPVILWFY-ZDUSSCGKSA-N 346.452 3.691 0 50 EHAA CCN(CCOC)C(=O)C[C@@H](c1ccccc1)c1ccc(F)cc1 55413846 QMOMNYVDROSWQS-IBGZPJMESA-N 329.415 3.843 0 50 EHAA CN(CCCn1cccn1)C(=O)c1ccc(-c2ccccc2Cl)o1 65451864 NCFXAHSEWZWNQG-UHFFFAOYSA-N 343.814 3.959 0 50 EHAA Cc1c(CN(C)Cc2cc3ccccc3[nH]c2=O)[nH]c2ccccc12 67542256 UAHILBHNHSAYKB-UHFFFAOYSA-N 331.419 3.950 0 50 EHAA CS(=O)(=O)c1ccc(CN2CCCC[C@H]2c2ccc(F)cc2)cc1 72166528 MZIZHIHMQRAMCT-IBGZPJMESA-N 347.455 3.956 0 50 EHAA CCCc1nc(C(=O)N2CCCN(Cc3cccs3)CC2)cs1 77386657 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341.226 3.834 0 50 EHAA COc1cccc(CN2CCC(C(=O)NC3CCCCCC3)CC2)c1 4725442 VGNIRCYVBSBNPA-UHFFFAOYSA-N 344.499 3.746 0 50 EHAA CCc1cccc2c(C(C)=O)cn(CC(=O)NCc3ccccc3)c12 4757730 NOOCCXXGYRWOTL-UHFFFAOYSA-N 334.419 3.723 0 50 EHAA Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2ccccc12 6571342 YLTMQCLFIAEYQP-UHFFFAOYSA-N 338.382 3.843 0 50 EHAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 11821482 ALMFUMPVHQYUGO-INIZCTEOSA-N 326.465 3.898 0 50 EHAA CC1CCN([C@@H]2CCC(=O)N(Cc3ccc(F)cc3F)CC2)CC1 12163309 ZFGJVBOGOCSTDX-QGZVFWFLSA-N 336.426 3.578 0 50 EHAA CC(C)(C)c1cc(CN2CCC[C@@H](C(N)=O)C2)cc(C(C)(C)C)c1O 16663011 XLZSSFDIZGUVAB-OAHLLOKOSA-N 346.515 3.685 0 50 EHAA CC(C)(C)c1ccc(-c2n[nH]c3c2CN(C[C@@H]2CCOC2)CC3)cc1 20535852 RZOZSDKEHFTDMN-HNNXBMFYSA-N 339.483 3.769 0 50 EHAA COc1ccccc1CN(Cc1cccnc1)C(=O)c1occc1C 55132268 VGWARDXNBMXAAV-UHFFFAOYSA-N 336.391 3.834 0 50 EHAA Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NCc1cccnc1 55244940 CGZXUPKXTJTZSL-MRXNPFEDSA-N 339.487 3.801 0 50 EHAA 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50 EHAA COc1cccc([C@@H]2CCN(c3nnc(C)c4ccccc34)C2)c1OC 1529174976 YWWUGAZQUWGKNC-OAHLLOKOSA-N 349.434 3.949 0 50 EHAA C[C@H](C[C@H]1CCCCN1Cc1csc(Br)c1)C(=O)O 1776002830 GMKBTWIJFITMMI-ZYHUDNBSSA-N 346.290 3.976 0 50 EHAA O[C@H]1C[C@@H]2CN(C[C@H]3CC3(c3ccccc3)c3ccccc3)C[C@@H]2C1 1857693037 FSEZGYLIWMMKSW-OSZJIOELSA-N 333.475 3.695 0 50 EHAA Cc1cc(F)ccc1NC(=O)[C@@H](C)n1ccnc1-c1cnsc1 1857696296 VECLXSSICGIRJD-LLVKDONJSA-N 330.388 3.654 0 50 EHAA O=C(O)COc1ccccc1-c1nccn1C[C@@H]1CC[C@H]2CCC[C@H]21 1857716799 FJPMUCDSECJGBA-OWCLPIDISA-N 340.423 3.840 0 50 EHAA O=C(O)c1ccccc1CC1CCN(Cc2cc3cnccc3[nH]2)CC1 1875283474 TYEXUWZMJGMJMG-UHFFFAOYSA-N 349.434 3.716 0 50 EHAA COc1ccccc1CN1C(=O)N[C@H]2C[C@@]1(C)Oc1c(F)cccc12 1875329816 FHHPPNUAJLBBRE-HNAYVOBHSA-N 342.370 3.600 0 50 EHAA O=C(NCc1cc2ncccc2s1)c1cnc2c(F)cccc2c1 1875341131 HNJWAKUOVQYQMO-UHFFFAOYSA-N 337.379 3.914 0 50 EHAA Cc1nc(N[C@@H](C)c2ccccn2)c2cnn(-c3cccc(F)c3)c2n1 1875360422 HQSFYLCPRIRKHP-LBPRGKRZSA-N 348.385 3.831 0 50 EHAA CC(C)(C)c1ccc([C@@H]2CCC[C@H](OC(=O)Cn3cncn3)C2)cc1 2325725133 DGOCONMIQGOAPL-AEFFLSMTSA-N 341.455 3.845 0 50 EHAA CC(C)(C)[C@@]1(C(=O)O)CCN(Cc2c(F)cccc2N2CCCC2)C1 2325788276 WKFYSGBXZWVARE-FQEVSTJZSA-N 348.462 3.749 0 50 EHAA O[C@@H](Cc1ccccc1)c1cn(-c2ccccc2C(F)(F)F)nn1 2325821435 OGGITLGAYCEAKN-INIZCTEOSA-N 333.313 3.562 0 50 EHAA Brc1cnc2[nH]cc(-c3csc(-c4cnc[nH]4)n3)c2c1 2325850630 DBORCSCJYFIBMD-UHFFFAOYSA-N 346.213 3.839 0 50 EHAA C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)CC[C@@H]1CCCN(C)C1 2325875241 KUAVNGHAIHKEKN-WWMYMODYSA-N 328.500 3.938 0 50 EHAA COc1nccn2c(-c3ccc([C@H](C)N4CCCCC4)cc3)cnc12 2356142846 KLPKXEMXHXFDER-HNNXBMFYSA-N 336.439 3.952 0 50 EHAA CCCCc1nc(CN2CC[C@@H](c3ccccc3)[C@H](O)C2)c(Cl)[nH]1 2356156926 WZIZLUYEMDKDKQ-DOTOQJQBSA-N 347.890 3.756 0 50 EHAA CCc1noc(NC(=O)c2ncc(F)cc2F)c1-c1ccc(F)cc1 2356165634 LVMGGHWVKIMAIA-UHFFFAOYSA-N 347.296 3.969 0 50 EHAA CC(C)(C)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 81906 FRXPCACAINLEQD-UHFFFAOYSA-N 329.465 3.731 0 50 EHAA COc1cc(C(=O)Nc2ccc(F)c(Cl)c2)cc(OC)c1OC 133290 APOWTUGUFJKTFO-UHFFFAOYSA-N 339.750 3.757 0 50 EHAA C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccccc3)C(=S)N21 486219 IGMQTKVSBWAGJG-SJKOYZFVSA-N 347.443 3.787 0 50 EHAA biogenic Cc1ccc(COc2ccccc2C(=S)N2CCOCC2)cc1 610721 GJEXRNZOQLQDOK-UHFFFAOYSA-N 327.449 3.582 0 50 EHAA O=C1CCCC[C@@H]1C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 1395101 YYUFYBCDRIIAEY-JTQLQIEISA-N 338.194 3.516 0 50 EHAA COC(=O)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1 1396472 JBZYYEJHPHVVAQ-UHFFFAOYSA-N 346.597 3.643 0 50 EHAA COc1cccc(C(=O)c2sc3nc4c(cc3c2N)CCCC4)c1 1472213 HOAKLVRFYAUEKS-UHFFFAOYSA-N 338.432 3.997 0 50 EHAA C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC(=O)c1ccc(F)cc1 3130694 AIBBTGCHTUPDJO-CQSZACIVSA-N 340.398 3.976 0 50 EHAA O=C(O)c1cccc(-n2nc(-c3ccccc3)c3ccccc3c2=O)c1 3190441 HHQKBSQQKXJOMJ-UHFFFAOYSA-N 342.354 3.751 0 50 EHAA biogenic COc1ccc(OC)c(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 4006345 LMRTYAWGSGLWEP-UHFFFAOYSA-N 347.219 3.843 0 50 EHAA CC[C@@H]1CN(Cc2ccccc2OC)Cc2cc(OC)ccc2O1 11911042 LENXPXNSTGLRFV-QGZVFWFLSA-N 327.424 3.877 0 50 EHAA O=C(CC[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1)NC1CC1 12304340 NFXRWSPDBBWNES-XKKXFUJGSA-N 330.447 3.610 0 50 EHAA CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccccc2)CC1 12439768 MWXJVFDLCNUUAN-UHFFFAOYSA-N 340.471 3.705 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)no1 12457968 GPTARAXGKLQYNQ-AWEZNQCLSA-N 334.366 3.746 0 50 EHAA Fc1cc(F)cc(NC(=S)Nc2ccccc2N2CCOCC2)c1 13521123 YRYHDDZLNCRYJC-UHFFFAOYSA-N 349.406 3.610 0 50 EHAA Cc1oc(-c2ccoc2)nc1CN1CCN(c2ccccc2)C[C@H]1C 15068791 INNUPVHTQLDAKS-OAHLLOKOSA-N 337.423 3.954 0 50 EHAA Fc1ccc(N[C@@H]2CCCN(Cc3cccc4c3OCO4)C2)cc1F 15073495 CWPUBZJMROIGGC-OAHLLOKOSA-N 346.377 3.770 0 50 EHAA Cc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 16489704 DALXQNOTVDYSSF-UHFFFAOYSA-N 345.402 3.572 0 50 EHAA CCC(CC)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 20254784 IYJLFYFYLBCFHJ-HXUWFJFHSA-N 333.495 3.601 0 50 EHAA CCc1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 33088843 CQIASNFONCFCLV-CYBMUJFWSA-N 332.403 3.933 0 50 EHAA Cc1nc2c(N(CCc3ccccc3)Cc3cccnc3)ncnc2o1 55168785 BOVINDWFDYXUIS-UHFFFAOYSA-N 345.406 3.571 0 50 EHAA CSc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)c1 57291826 GODZPMYIFVMSEQ-KRWDZBQOSA-N 340.448 3.652 0 50 EHAA C/C(=C\c1ccccc1)[C@H]1CC(=O)NCc2nc3cc(C)ccn3c21 65425405 MLNGEZSWYDZVPX-GSPCDJLXSA-N 331.419 3.850 0 50 EHAA CCN(CC)C(=O)[C@@H](C)C1(O)c2ccccc2CCc2ccccc21 71770006 BHHHROUZUPSOTH-MRXNPFEDSA-N 337.463 3.526 0 50 EHAA CCCn1nccc1C(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 71774465 IDDFHUULMHVWBE-UHFFFAOYSA-N 336.439 3.583 0 50 EHAA CCNC(=O)CC1(Cc2nc3cccnc3n2CC(C)C)CCCC1 77421176 RGHCYBTXDHXILM-UHFFFAOYSA-N 342.487 3.716 0 50 EHAA OCCn1cnc2cc(-n3ccnc3-c3cccc(Cl)c3)ccc21 77505814 HPVUQNYQCAAXFR-UHFFFAOYSA-N 338.798 3.535 0 50 EHAA CC[C@H](C(=O)NCC1(c2ccc(F)cc2)CCCC1)n1cccn1 91876695 ZVFRCWDHARWYJC-QGZVFWFLSA-N 329.419 3.602 0 50 EHAA CCC(=O)NCc1ccccc1C[C@@H]1COc2cc(OC)ccc2C1 92098431 HCNYJENLFNCIBX-HNNXBMFYSA-N 339.435 3.515 0 50 EHAA COC(=O)N(Cc1cccnc1)C[C@H]1CCCN(C2CCCCC2)C1 95527450 XBONGDYOTLZCNP-SFHVURJKSA-N 345.487 3.695 0 50 EHAA O=C(CCCc1csc2ccccc12)N1CC[C@H](N2CCCC2)C1 150966920 ANLQFVXQAYQOQO-KRWDZBQOSA-N 342.508 3.921 0 50 EHAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@@H]1CCCc2[nH]ncc21 153196768 DSUUFOUZEPRBLO-CHWSQXEVSA-N 346.500 3.938 0 50 EHAA Cc1nc(CN2CCSC[C@H]2c2cccc(C(F)(F)F)c2)no1 186858688 DMDLVKOVNBNERC-ZDUSSCGKSA-N 343.374 3.687 0 50 EHAA O=C(O)c1csc(NC(=O)c2cc(Br)cs2)c1 191349825 ILVDSZRKPILZEQ-UHFFFAOYSA-N 332.200 3.523 0 50 EHAA CC(=O)NC(C)(C)c1noc(-c2ccccc2Oc2ccccc2)n1 193203283 BJYCYRAHOYXNST-UHFFFAOYSA-N 337.379 3.900 0 50 EHAA CCOC[C@@H]1CCCN1Cc1ccc(-c2nc3ccccc3n2C)o1 215414277 YVNDAHHRLHXVKM-HNNXBMFYSA-N 339.439 3.834 0 50 EHAA C[C@H]1CN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@]1(O)C1CC1 216730195 OPJYXHJYSUIYRM-LHSJRXKWSA-N 339.410 3.726 0 50 EHAA CCNc1ncc(CN(Cc2cccnc2)C2CCCCC2)cn1 220318596 HRASBJYNSDZBSS-UHFFFAOYSA-N 325.460 3.638 0 50 EHAA CN(Cc1ccc(C(=O)O)cc1)C(=O)CCc1ccc(Cl)s1 237025131 XUMYBBRGFXNUAO-UHFFFAOYSA-N 337.828 3.691 0 50 EHAA COc1ccnc(CN2CCC[C@@H](COc3ccccc3F)C2)c1 252503716 VFZVKARQTXLJJK-OAHLLOKOSA-N 330.403 3.520 0 50 EHAA Cc1ccc(C)n1CCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 253414896 YZJAEEPJTDQVPX-IBGZPJMESA-N 338.455 3.885 0 50 EHAA Cc1nscc1C(=O)Nc1cccc2c1CN(c1ccccn1)C2 253426337 NAISZTYCHVWXTK-UHFFFAOYSA-N 336.420 3.619 0 50 EHAA COc1ccc(CC[C@@H](C)N[C@H]2CCCO[C@@H]2c2ccncc2)cc1 275534347 MEPXTGRMJOCRJQ-TYCQWZJGSA-N 340.467 3.921 0 50 EHAA Cc1nc(CCN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cs1 277100727 TZBZBYJUQHRNGA-HOTGVXAUSA-N 340.851 3.906 0 50 EHAA COc1ccc([C@@H](O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1 328587674 FBQVDSZPKYJEFF-QZTJIDSGSA-N 344.386 3.564 0 50 EHAA Cc1cccc(C2CC(N[C@@H](c3nc(C)no3)C3CCOCC3)C2)c1 328628539 NUXYWNGMNCNLES-CTWPCTMYSA-N 341.455 3.690 0 50 EHAA C[C@@H](N[C@H]1CCc2ccccc2OC1)c1nc(Cc2ccccc2)no1 367163146 AUWTXCDDKKKODK-QAPCUYQASA-N 349.434 3.705 0 50 EHAA CCCCOc1ccc(C)cc1-c1c(N2CCCC2)cnnc1O 426690305 NWFSHZYEENPHSR-UHFFFAOYSA-N 327.428 3.937 0 50 EHAA CC(C)c1noc(C2CCN([C@H]3CCN(c4ccccc4)C3)CC2)n1 670472790 UORXSBVCUZDREA-SFHVURJKSA-N 340.471 3.651 0 50 EHAA c1nc(-c2ccc([C@H]3CCCO3)s2)n(-c2ccc3c(c2)OCO3)n1 820420181 BWHALJGAYVOAJV-CYBMUJFWSA-N 341.392 3.576 0 50 EHAA Cc1noc(C(C)C)c1NC(=O)C[C@H]1CC(=O)Nc2ccccc21 830200180 YJEPXMWZNCVWSJ-GFCCVEGCSA-N 327.384 3.561 0 50 EHAA CC1(CNc2nc(-c3ccccn3)nc3sccc23)CCOCC1 858440122 MDKROICOHYXFRJ-UHFFFAOYSA-N 340.452 3.982 0 50 EHAA CC[C@@H](C(=O)NCc1ccc(-c2ccccc2Cl)o1)N(C)CC 952974737 WRRCHJWPQADSMP-INIZCTEOSA-N 334.847 3.947 0 50 EHAA COc1ccc(CN(Cc2c(C)nn(C)c2C)C2CC2)cc1Cl 952987738 JGJIGNIOGIAAFE-UHFFFAOYSA-N 333.863 3.864 0 50 EHAA O=C(NC1CC1)c1cc(-c2cccc3c2CCN3)nc2ccccc12 1243851601 AIGDCOXWIFEMIN-UHFFFAOYSA-N 329.403 3.762 0 50 EHAA CCc1ncoc1C(=O)Nc1ccc(Br)c(C2CC2)n1 1262799962 YOBJYUJNNYVTAP-UHFFFAOYSA-N 336.189 3.524 0 50 EHAA COc1c(C)cnc(CNC2CCN(c3ccc(C)cc3)CC2)c1C 1506397182 QREUQQZZNOKQCU-UHFFFAOYSA-N 339.483 3.774 0 50 EHAA N=c1[nH]c2cc(C(=O)N3CCCC[C@@H]3c3nccs3)ccc2s1 1857736890 PTKZOJBHHAURDN-GFCCVEGCSA-N 344.465 3.533 0 50 EHAA CC[C@@H](NC(=O)C12C[C@@H]3CC(C[C@H](C3)C1)O2)c1ccccc1OC 1875301287 JBKMBRJCGNUZOP-IYRYCEOZSA-N 329.440 3.610 0 50 EHAA O=C(Cc1cccc2c1[nH]c1ccccc12)OC[C@@H]1[C@H]2CCOC[C@H]21 1875315580 AADCYWCBWHLKFG-BMGDILEWSA-N 335.403 3.689 0 50 EHAA CC(C)(CN=c1nc(-c2ccccc2)c2ccccc2[nH]1)[C@@H]1CCCN1 1875326258 ODONKTLWPKZGGT-IBGZPJMESA-N 346.478 3.909 0 50 EHAA Cc1cccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1N 2325782402 WMXHNKXTNQEFHS-UHFFFAOYSA-N 344.842 3.914 0 50 EHAA Cc1nc(-c2ccc(NC(=O)c3sccc3CN)cc2)oc1C 2325855508 DERQZKDRKPYQAC-UHFFFAOYSA-N 327.409 3.731 0 50 EHAA COc1ccc([C@@H]2OC(=O)C3(CCCCC3)C(=O)C2(C)C)cc1OC 88984 KJUPAGCZUPBSBZ-INIZCTEOSA-N 346.423 3.848 0 50 EHAA CC(=O)c1c(N2CCCC2)nc(=S)n(Cc2ccccc2)c1C 368506 CZFHZZCBGXNCAC-UHFFFAOYSA-N 327.453 3.772 0 50 EHAA COc1c(Br)cc(Br)cc1Br 395549 YXTRCOAFNXQTKL-UHFFFAOYSA-N 344.828 3.983 0 50 EHAA in-vitro,metabolite O=C(Nc1cccc(Cl)c1)OCn1c(=O)sc2ccccc21 405513 OUONSGPJZHXPEW-UHFFFAOYSA-N 334.784 3.923 0 50 EHAA CC(C)(C)c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 612762 FUNVNBDTOOIXEZ-INIZCTEOSA-N 325.408 3.554 0 50 EHAA O=C(N1CCCc2ccccc21)C(O)(c1ccccc1)c1ccccc1 758799 OYUHPOFYURVPDI-UHFFFAOYSA-N 343.426 3.902 0 50 EHAA Fc1ccc(NC2CCN(C(=S)NCc3cccs3)CC2)cc1 1069560 SDWLGSBNZJDVGN-UHFFFAOYSA-N 349.500 3.838 0 50 EHAA CCc1ccc([C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1 1427876 UJYWORZGPSBWKL-MRXNPFEDSA-N 333.387 3.542 0 50 EHAA COc1ccc(C(=O)Oc2ccc3ccccc3c2C=O)cc1OC 3004661 DNRRDBZQWWKVBI-UHFFFAOYSA-N 336.343 3.889 0 50 EHAA CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@@H](c2cccc(F)c2)NC(=O)N1 4065328 VLLWMLBBFICXTL-UXEPBGEESA-N 346.402 3.576 0 50 EHAA CCCC[C@H](CC)C(=O)N1CCN(c2ccccc2OCC)CC1 4881563 XXMWLLYPNVJVPD-KRWDZBQOSA-N 332.488 3.950 0 50 EHAA COc1cc(OC)c(CN2CCC(C)CC2)cc1Br 4988843 UTBMTFOQZIBKQX-UHFFFAOYSA-N 328.250 3.698 0 50 EHAA CCOC(=O)C1CCN(CCOc2c(C)cc(C)cc2Cl)CC1 6704075 ZVYSLDZTYTVSTO-UHFFFAOYSA-N 339.863 3.611 0 50 EHAA O=C(Nc1cccc(C(=O)NCc2ccco2)c1)NC1CCCCC1 12138874 AIHFBPGFKCQNOE-UHFFFAOYSA-N 341.411 3.664 0 50 EHAA COCCN(CC(C)C)CC1CCN(Cc2ccccc2F)CC1 12459632 YVXYOQIZPGPKLB-UHFFFAOYSA-N 336.495 3.642 0 50 EHAA CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 15066363 LQUNJYKGOUGBCA-QGZVFWFLSA-N 340.398 3.690 0 50 EHAA CCCN1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 16580463 ITGFSQBIKGGMFC-UHFFFAOYSA-N 336.479 3.809 0 50 EHAA COc1cc2c(cc1OC)[C@H](c1ccccc1C(F)(F)F)NCC2 19726643 NUQQDNSTBXJLQC-KRWDZBQOSA-N 337.341 3.958 0 50 EHAA Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCCO2)o1 20514483 KHFPRJYXLOEPFZ-UHFFFAOYSA-N 327.359 3.717 0 50 EHAA c1ccc(CCCN2CCC[C@@H](NCc3nc4ccccc4[nH]3)C2)cc1 20598402 FXTJIOPCKONRLO-LJQANCHMSA-N 348.494 3.750 0 50 EHAA CCN(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1ccccc1 39433614 RDNBMMNJLWELLR-VAWYXSNFSA-N 341.407 3.779 0 50 EHAA O=C(Nc1cccc(-n2cccn2)c1)c1cc(-c2ccccc2)no1 49758827 LMAZTRFIMRPFMU-UHFFFAOYSA-N 330.347 3.780 0 50 EHAA CN(Cc1cccnc1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 55211191 GFNOLRNQKTZTEV-FQEVSTJZSA-N 341.474 3.607 0 50 EHAA Cc1nc2c(c(NCC[C@@H](c3ccccc3)c3ccco3)n1)CCNC2 67643133 VAPCKTGPHUORQX-KRWDZBQOSA-N 348.450 3.658 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N3CCC4(CCCO4)CC3)c2c1 71749233 XOOPRDXHMYOBGK-UHFFFAOYSA-N 338.451 3.891 0 50 EHAA CCc1cccc(NC(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c1 72169981 UPNVZMBUPQOCSF-GOSISDBHSA-N 343.471 3.648 0 50 EHAA Cc1cc(NCCc2nc(C)c(Cl)s2)n2nc(C)c(C)c2n1 72412139 PMSBAVYPLKGGIF-UHFFFAOYSA-N 335.864 3.727 0 50 EHAA COC[C@@H](C)C1CCN(c2cc(C(C)C)nc3cc(C)nn23)CC1 72421120 MPGWTMGUMMACRI-CQSZACIVSA-N 330.476 3.660 0 50 EHAA CCc1cc(N2CCC[C@@H](CCCOC)C2)n2nc(C)c(C)c2n1 72430128 IVCIGNNSPPEGES-INIZCTEOSA-N 330.476 3.552 0 50 EHAA Cc1nc([C@@H](C)N(C)C(=O)c2ccc3c(c2)CCCO3)c(C)s1 91574994 HDPNRWMIVAWXEO-LLVKDONJSA-N 330.453 3.918 0 50 EHAA Cc1ccc(C(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)cc1 95495562 LBXUAWLWBIQOMB-UHFFFAOYSA-N 339.416 3.573 0 50 EHAA in-vitro COCCN(Cc1ccsc1)C(=O)Nc1ccc(Cl)nc1C 96141083 JLMICECWPZKFIW-UHFFFAOYSA-N 339.848 3.785 0 50 EHAA O=C1CCCCCN1Cc1nc(C2CC2)nn1CC1CCCCC1 96180276 NSSRXLZRCDCIPG-UHFFFAOYSA-N 330.476 3.638 0 50 EHAA COC(=O)c1ccc(NC(=O)N[C@@H](c2cccnc2)C(C)C)c(C)c1 97729543 PGLACGQQHRHIQN-QGZVFWFLSA-N 341.411 3.695 0 50 EHAA COc1ccc(/C=C/CN2CCC([C@@H](O)c3ccccn3)CC2)cc1 97759359 FFQWKUYVFMTLCF-KTBYTZPXSA-N 338.451 3.549 0 50 EHAA CCn1ccnc1-c1cccc(NC(=O)c2ccc(COC)o2)c1 130881239 UVEIKNABFSKUMD-UHFFFAOYSA-N 325.368 3.562 0 50 EHAA CN(C(=O)Cc1c[nH]c2cc(Br)ccc12)c1ccccn1 151088545 FKGTUXFLVYNHSG-UHFFFAOYSA-N 344.212 3.531 0 50 EHAA Cc1ccc(NC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c(C)n1 152184481 NLOIDXMBPGMRHJ-KBXCAEBGSA-N 325.412 3.692 0 50 EHAA O=C1CCCc2cc(NC(=O)c3ccccc3OC(F)F)ccc2N1 171255044 GRPZHVJWLYQYJE-UHFFFAOYSA-N 346.333 3.815 0 50 EHAA C[C@@H](NC(=O)Nc1cccc2[nH]ccc12)c1ccc2c(c1)OCCO2 171397509 JNDKLMWPYVYNNC-GFCCVEGCSA-N 337.379 3.822 0 50 EHAA CC[C@H](NC(=O)N1CCC(c2ccncc2)CC1)c1c(C)noc1C 190620728 MKNHFYOGIBWAKF-KRWDZBQOSA-N 342.443 3.727 0 50 EHAA CN(C)C(=O)Sc1ccc(NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 225420044 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347.422 3.798 0 50 EHAA COc1ccc(OC)c(-c2ncnc(Oc3cccnc3C)c2C)c1 952987265 JNUCDIREWRRYJH-UHFFFAOYSA-N 337.379 3.965 0 50 EHAA CCCCNc1nc(CC(=O)N2CCC[C@H](C(F)(F)F)C2)cs1 1454812238 DDMRUHYFVXGNDI-NSHDSACASA-N 349.422 3.699 0 50 EHAA Cc1cccc([C@@H]2CCCN(C(=O)CSc3ccccn3)C2)c1 1506422720 SNMLHLWUNPBDSG-QGZVFWFLSA-N 326.465 3.888 0 50 EHAA Cc1ccc(Cl)cc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1529098880 NTLASVPPSHCBNW-MDBPOYHNSA-N 334.891 3.839 0 50 EHAA Cn1nc(-c2ccccc2)c2c1CCN(Cc1cc(C3CC3)on1)CC2 1857713791 NZJKNORULOKEKP-UHFFFAOYSA-N 348.450 3.553 0 50 EHAA Cn1c(=N[C@H]2C[C@H](c3ccc(F)cc3F)C2)[nH]c2ccc(F)cc21 1875331479 IXEGPKJJPGVCSF-MJHDQNEOSA-N 331.341 3.771 0 50 EHAA C[C@@H](c1ccccn1)c1nc(-c2ccc3nc(Cl)cn3c2)no1 1875344538 HRTXQMVVRBVPMK-JTQLQIEISA-N 325.759 3.585 0 50 EHAA Cc1cccc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2F)n1 1875388241 SEDAOBYLOYHIAS-CQSZACIVSA-N 331.366 3.907 0 50 EHAA Cc1cc(C(=O)NC[C@@H](O)c2ccccc2C)c2c(c1)[C@H](C)CCN2 2325842041 NAGHIPUUQGADSX-DNVCBOLYSA-N 338.451 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CCOc1cc(OCC)cc(C(=O)Nc2ccc(C(=O)OC)cc2)c1 447494 DMIBKICIPLXNEW-UHFFFAOYSA-N 343.379 3.523 0 50 EHAA O=C(Nc1cccc2ccccc12)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 615522 FAOJKMQGQWKILY-HNNXBMFYSA-N 348.377 3.971 0 50 EHAA COC(=O)c1cccc(NC(=O)CCCOc2ccccc2C)c1 1772488 NMVWBOPGZJLNHF-UHFFFAOYSA-N 327.380 3.579 0 50 EHAA COc1ccc(-c2csc(NC(=O)c3ccco3)c2C(=O)O)cc1 2552556 LUGAMWRCQRORSP-UHFFFAOYSA-N 343.360 3.967 0 50 EHAA CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1 2916191 RUGFDCGTNJCYJC-CQSZACIVSA-N 342.826 3.894 0 50 EHAA COc1ccccc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 8160813 FHILQFHHQBNDBZ-INIZCTEOSA-N 327.380 3.505 0 50 EHAA Cc1ccc([C@H]2CC(=O)c3cnn(-c4nc5ccccc5[nH]4)c3C2)cc1 8992885 NMKBJENVYGEOOV-OAHLLOKOSA-N 342.402 3.970 0 50 EHAA O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1C[C@H]1CCCO1 9118301 FQYRRTFALHZMAC-CRAIPNDOSA-N 326.371 3.571 0 50 EHAA Cc1ccc(OCc2nnnn2-c2cccc(C(F)(F)F)c2)cc1 9134522 QSCOJKFPJLBYRZ-UHFFFAOYSA-N 334.301 3.569 0 50 EHAA Cc1occc1C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 11821075 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CC(C)(C)NC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F 91636140 ZWHRVUITPCFETP-CQSZACIVSA-N 348.397 3.626 0 50 EHAA O=C(C1=Cc2ccccc2OC=C1)N1CCCC[C@H]1CCn1cccn1 95358288 NVQLEUDTNAUYLV-IBGZPJMESA-N 349.434 3.644 0 50 EHAA COc1cccc2c1OC[C@H](Cc1ccc(Cn3ccnc3)cc1)C2 95504464 SRKLFMDTKPQGPR-GOSISDBHSA-N 334.419 3.734 0 50 EHAA COc1ccc(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)nn1 158073990 FKZJPDTYSNIIFK-AWEZNQCLSA-N 348.406 3.911 0 50 EHAA CC(C)(C)C(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 170021736 SSFUFMNHLJTUDR-CABCVRRESA-N 329.396 3.521 0 50 EHAA Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCSCC[C@H]1C 170611119 HNIINYSYSBPFPK-CHWSQXEVSA-N 338.521 3.545 0 50 EHAA Cc1ccc2oc(C(=O)NC[C@H](N)c3ccc(C(C)C)cc3)cc2n1 178876380 DZFHLUZXRHCSLP-INIZCTEOSA-N 337.423 3.689 0 50 EHAA O=C(c1cc(-c2ccccc2)no1)N1CC[C@]2(C1)OCc1ccccc12 186898567 OWFGDTVRJPSYSM-OAQYLSRUSA-N 346.386 3.613 0 50 EHAA Cc1[nH]c2c(CN3CCCN(Cc4ccncc4)CC3)cccc2c1C 215651153 XERQEDZMJCCJBN-UHFFFAOYSA-N 348.494 3.888 0 50 EHAA 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O=C(Cc1ccccc1)Nc1c(F)cc(F)cc1Br 13325710 CYHVFKYPDAEBIQ-UHFFFAOYSA-N 326.140 3.909 0 50 EHAA Fc1ccc(-c2cnnc(NCCc3ccc(Cl)cc3)n2)cc1 14950415 FYINORICXDPRQE-UHFFFAOYSA-N 328.778 3.986 0 50 EHAA C[C@H](C1CC1)n1ncc2[nH]c(-c3cccc(Cn4cccn4)c3)nc21 19229080 LVPYVDPSUQGPBJ-CYBMUJFWSA-N 332.411 3.642 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)on1 21718497 IKSUVUOSCCSTIU-OAHLLOKOSA-N 341.342 3.754 0 50 EHAA Cc1nc(C)c(CN2CC[C@@]3(CCCN(CC(C)(C)C)C3)C2)nc1C 55100193 IZQDRXMFMLNNNT-NRFANRHFSA-N 344.547 3.736 0 50 EHAA CC[C@@H](CO)N(Cc1ccsc1)Cc1ccc(F)c(OC)c1F 55183185 RARDTWJPQXVRHQ-AWEZNQCLSA-N 341.423 3.808 0 50 EHAA CCOc1ccc(CN(Cc2cccc3c2OCO3)C2CC2)cc1 55211781 BYTXJZBSSMHHOT-UHFFFAOYSA-N 325.408 3.979 0 50 EHAA Cc1ccc(C)c(NC(=O)CCNCc2ccc3c(c2)C[C@H](C)O3)c1 65394277 PYHSTPDCYZJJEO-INIZCTEOSA-N 338.451 3.745 0 50 EHAA CC[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC[C@@]1(C)O 67935312 HUHSQQUWYXPELE-YCRPNKLZSA-N 340.467 3.670 0 50 EHAA CCc1[nH]c2ccc(CNC(=O)[C@@H]3Cc4ccccc4O3)cc2c1C 71639247 CTBVPFLNAMVSPN-FQEVSTJZSA-N 334.419 3.659 0 50 EHAA Fc1ccc(/C=C/CN2CCC(OCc3cccnc3)CC2)cc1 72144633 PSDYICDSLWHWNT-DUXPYHPUSA-N 326.415 3.915 0 50 EHAA CCn1nc(C)c(CCn2ccnc2-c2cccc(C(C)=O)c2)c1C 72428398 LEDFYBBXWPVHAJ-UHFFFAOYSA-N 336.439 3.829 0 50 EHAA CNC(=O)c1cccc(NC(=O)c2c(Cl)cccc2Cl)c1C 81540280 WJCTZJKTHUIBQL-UHFFFAOYSA-N 337.206 3.914 0 50 EHAA CSc1ccccc1C(=O)N1CCCC[C@@H]1CCn1cccn1 82106832 BDPDJCJYIHTIDW-OAHLLOKOSA-N 329.469 3.690 0 50 EHAA O=C(c1c[nH]nc1C1CCCCC1)N1CCC[C@@H]1c1nccs1 91270295 JANVYFWUBHJQNU-CQSZACIVSA-N 330.457 3.891 0 50 EHAA O=C1CCC(c2ccccc2)(c2ccccc2)CN1Cc1ccon1 91390698 PEFXEUOZQTZGQS-UHFFFAOYSA-N 332.403 3.783 0 50 EHAA C[C@@H](c1ccc(-c2cn(C3Cc4ccccc4C3)nn2)cc1)N(C)C 91663297 YXCRURLLNPCUSY-HNNXBMFYSA-N 332.451 3.908 0 50 EHAA CC1=CC[C@@H]2C(=O)N(c3ccc(Br)cc3C)C(=O)[C@H]2C1 101482419 YXSAFFXYMGIBBR-STQMWFEESA-N 334.213 3.603 0 50 EHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccnc(N)c2)ccc1F 102647773 SCMFQRICHBNORV-BJWYYQGGSA-N 339.414 3.662 0 50 EHAA COc1ccccc1-c1nnc(CNc2ccccc2OC(F)F)o1 132808102 FAJZBXLWTGSCDT-UHFFFAOYSA-N 347.321 3.959 0 50 EHAA CC(=O)c1cc(C(=O)OCc2nc3ccccc3s2)c(C)nc1C 170600739 BMYYBPOUMNJMAS-UHFFFAOYSA-N 340.404 3.868 0 50 EHAA CCC(CC)n1nc(C(=O)N[C@@H]2CCOc3ccccc32)cc1C 182938014 GDMLYNMXVHEGNT-MRXNPFEDSA-N 327.428 3.806 0 50 EHAA O=C(CCc1cccc2c1OCO2)N1CCC[C@@H]1c1cccc(F)c1 184164913 OXWIDSYMXBXHJW-QGZVFWFLSA-N 341.382 3.851 0 50 EHAA CC(C)(C)OCc1cc(C(=O)N(c2ccccn2)C2CCCC2)no1 186496622 HCJFAPDLZHNNNC-UHFFFAOYSA-N 343.427 3.974 0 50 EHAA Brc1ccc(CN2CCSC[C@H]2c2nccs2)o1 191504582 LEXSKTDBZHATTR-JTQLQIEISA-N 345.287 3.789 0 50 EHAA COc1ccc(C)cc1NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C 225389531 PZPWCQDNRRDEFT-DNVCBOLYSA-N 341.455 3.817 0 50 EHAA COc1ccc(F)cc1[C@H](C)NC1CCN(c2ccccn2)CC1 237182415 MYLWTRDIBZUQIV-AWEZNQCLSA-N 329.419 3.549 0 50 EHAA CNC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 237241221 XJSBMVQSRJQSAQ-YUTCNCBUSA-N 341.282 3.555 0 50 EHAA O=C(c1cccc2cnccc12)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 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327.428 3.585 0 50 EHAA O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1C[C@@H](Cn2ccnc2)C1 2325855717 MJAROJKLZGEXES-RVWIWJKTSA-N 345.446 3.688 0 50 EHAA COc1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1 38371 BNTNTTDFRWQZSX-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccccc1 49422 VQDKSJMDSZZJER-UHFFFAOYSA-N 327.380 3.719 0 50 EHAA biogenic Cc1ccc(N2C(=O)C(Cl)=C(N(C)C3CCCCC3)C2=O)cc1 144904 PFMJIVLRCIZEFC-UHFFFAOYSA-N 332.831 3.583 0 50 EHAA Cc1ccc(C[C@H](CC(=O)O)C(=O)Nc2ccc(Cl)cc2)cc1 249111 IKWJFAZZSCWTDM-CQSZACIVSA-N 331.799 3.921 0 50 EHAA Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Cl)cc32)c(C)c1 299917 SCDHFNRHFJVGLZ-IBGZPJMESA-N 343.810 3.678 0 50 EHAA Cc1cc(Cl)ccc1NC(=S)NCc1ccc2c(c1)OCO2 305342 VHSMGEFIYRVHQB-UHFFFAOYSA-N 334.828 3.864 0 50 EHAA NC(=O)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Cl 434119 HPEURWPCXWPOAI-UHFFFAOYSA-N 343.597 3.998 0 50 EHAA COc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 463797 YHDFCWXJGJCEGM-UHFFFAOYSA-N 331.315 3.515 0 50 EHAA Cc1occc1C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1 2532379 OXZPUAQOAMTNNM-UHFFFAOYSA-N 328.315 3.734 0 50 EHAA CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1 4089051 TUUFBMGTYLHPJF-UHFFFAOYSA-N 326.421 3.633 0 50 EHAA Cc1ccc(OCCn2c([C@@H](C)NC=O)nc3ccccc32)c(C)c1 4809892 SAUMJQOOGSYCMA-MRXNPFEDSA-N 337.423 3.539 0 50 EHAA CCCSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 6702612 PNWZLRRIYIJTAJ-UHFFFAOYSA-N 329.421 3.847 0 50 EHAA O=C(Nc1ccccc1Cl)c1ccc(-n2cnnc2)cc1Cl 6704413 CEJPLNWYBBFAIN-UHFFFAOYSA-N 333.178 3.826 0 50 EHAA O=C(Nc1ccccc1C(F)(F)F)c1ccc(-n2cnnc2)cc1 6709596 QSHYNKBKKWBEIN-UHFFFAOYSA-N 332.285 3.538 0 50 EHAA CCOc1cccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 6742771 JLTSJUKWCDCJBR-LJQANCHMSA-N 341.407 3.895 0 50 EHAA CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3F)cc2)CC1 10474144 RSCZHUGSCSAESS-UHFFFAOYSA-N 340.398 3.950 0 50 EHAA CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 12576216 JVKBESDUZPVYBG-ZDUSSCGKSA-N 329.421 3.737 0 50 EHAA CC(C)c1cn[nH]c1[C@@H]1CCCN(Cc2ccc3c(c2)OCCO3)C1 19838371 XDXPSKLWKKQNEM-MRXNPFEDSA-N 341.455 3.684 0 50 EHAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCC[C@H]1C 41096667 WGLOTXDOAAUJNZ-CQSZACIVSA-N 325.474 3.690 0 50 EHAA Cc1cccnc1C[C@@H](C)N(C)C(=O)c1cc(-c2ccccc2)on1 67805152 XYUJJUVEERQJIE-OAHLLOKOSA-N 335.407 3.748 0 50 EHAA Cc1cc(N[C@@H](C)c2nncn2C2CCCC2)n2nc(C)c(C)c2n1 72431598 IWCFDBUSBMNMLV-AWEZNQCLSA-N 339.447 3.534 0 50 EHAA COC(=O)N1CCCc2cc(-n3ccnc3-c3cccc(O)c3)ccc21 72433926 LCUZFXQWZHDYKM-UHFFFAOYSA-N 349.390 3.764 0 50 EHAA O=C(Nc1ccc2ncccc2c1)N1CCCC2(CCOCC2)C1 95523451 KCAXPFRDDMBUHW-UHFFFAOYSA-N 325.412 3.659 0 50 EHAA O=C(Nc1ccc(I)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 101636292 RMJLDYIDIPREBF-OUJBWJOFSA-N 341.192 3.666 0 50 EHAA COc1ccc([C@H]2CCCN2C(=O)c2ccc(SC)o2)cc1OC 112271261 MZMWYWQKDZWNCS-CYBMUJFWSA-N 347.436 3.996 0 50 EHAA CSCC[C@@H](NCc1cccc(OCc2ccccc2)c1)C(=O)O 113400811 GHGVIKMALCQJCU-GOSISDBHSA-N 345.464 3.562 0 50 EHAA COc1ccc(N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cn1 120065671 WUINTYFNYRGGAY-LLVKDONJSA-N 328.347 3.761 0 50 EHAA O=C(CCc1ccc(-c2ccccc2)[nH]1)N1CCCO[C@H]2CCC[C@H]21 169988211 BMJBLAFKXVNAQQ-UXHICEINSA-N 338.451 3.784 0 50 EHAA COc1ccc([C@@H](C)Nc2cccc(CS(C)(=O)=O)c2)cc1C 170593947 UZANJCVYGVNYOH-CQSZACIVSA-N 333.453 3.721 0 50 EHAA O=C(Cc1cnc2ccccc2c1)N(Cc1ccco1)c1ccccn1 191370358 ONGBGKJGZVZLGZ-UHFFFAOYSA-N 343.386 3.999 0 50 EHAA Cc1ncc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c(C(C)C)n1 192851405 QYUKTNLBNHQYTE-UHFFFAOYSA-N 333.775 3.512 0 50 EHAA CC1=CC[C@H]2CN(C(=O)c3cccc(CCC(C)(C)O)c3)C[C@H]2C1 220136979 ZYSSTUSPNMPXQC-RBUKOAKNSA-N 327.468 3.818 0 50 EHAA CC1(C)CC(NC(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC(C)(C)N1 230218723 KFTOILCJFBGEII-WAWZGNHOSA-N 335.536 3.810 0 50 EHAA CC(=O)c1ccc(C(=O)Nc2ccnn2-c2cccc(F)c2)c(F)c1 239762071 CKQZCCBVCUDLIF-UHFFFAOYSA-N 341.317 3.605 0 50 EHAA O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](Nc2ccccn2)CC1 253427450 FPKNOUMQGSRPOF-KOMQPUFPSA-N 328.391 3.766 0 50 EHAA Cc1cc(CN(C)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)no1 253427786 DXGKLQRYSKEESX-ZBFHGGJFSA-N 331.391 3.600 0 50 EHAA CC(C)n1ccnc1CN(Cc1ccsc1)[C@H]1CC12CCNCC2 261968300 TXFXBPXYJIHQAW-KRWDZBQOSA-N 344.528 3.670 0 50 EHAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1cccc(Cl)c1F 275567692 OGBOQIWWZJFMMH-SUMWQHHRSA-N 337.826 3.563 0 50 EHAA CC(C)(C)c1nnc(C(=O)N(Cc2ccccc2)CC(F)F)s1 281063208 YWKDEEOQBBNTJM-UHFFFAOYSA-N 339.411 3.743 0 50 EHAA Cc1oc2ccccc2c1CNC[C@@H]1CCN(C)[C@H]1c1cccnc1 328650223 VKJVYSMCXSIKAL-UWJYYQICSA-N 335.451 3.919 0 50 EHAA C[C@H]1CN(C(=O)NCc2cccc3cccnc23)Cc2ccccc2O1 368300122 UYLZXABYMIJUAP-HNNXBMFYSA-N 347.418 3.728 0 50 EHAA Cn1ncnc1CN1CC[C@H](c2cccc(Oc3ccccc3)c2)C1 370214663 HPDNAIOBJOPUSN-KRWDZBQOSA-N 334.423 3.597 0 50 EHAA O=C1CCCN1[C@@H]1CCCN(Cc2cscc2C(F)(F)F)CC1 414547792 JCMNAQRRRJDWCG-CYBMUJFWSA-N 346.418 3.744 0 50 EHAA CC[C@@H](c1cccnc1)N(C)C(=O)c1cccc(-c2nccn2C)c1 426398000 CMBBXXYFIGKJLG-SFHVURJKSA-N 334.423 3.705 0 50 EHAA CCCN(CCC)C(=O)c1cccc(-c2c(C)ncnc2OC)c1 584886789 ZMFPBEGTUDJUQE-UHFFFAOYSA-N 327.428 3.723 0 50 EHAA O=C(O)[C@H](C(=O)Nc1cccc(CC(F)(F)F)c1)C1CCCC1 663083119 QLTJDGLSJKTECY-ZDUSSCGKSA-N 329.318 3.621 0 50 EHAA CCc1nocc1CN(C)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 815171164 NZQSYFLRCGICPU-ZDUSSCGKSA-N 326.400 3.788 0 50 EHAA CCc1nccn1C[C@@H](C)NCCCc1nc2ccc(Cl)cc2[nH]1 823557463 QVUHMBRHUJCRCR-CYBMUJFWSA-N 345.878 3.586 0 50 EHAA CCn1nc(C)c([C@@H](C)NC(=O)c2cc(-c3ccccc3)no2)c1C 823593379 KUGGOLUZBFWLOS-GFCCVEGCSA-N 338.411 3.666 0 50 EHAA Cc1nc([C@@H](C)NC(=O)Cn2ccnc2-c2ccccc2)c(C)s1 828000899 LHXOOTRIQHGPBW-GFCCVEGCSA-N 340.452 3.501 0 50 EHAA CC1(C)C[C@H](O)c2cccc(NC(=O)c3cc(C(C)(C)C)n[nH]3)c2O1 885652200 XUGRJFYZUMDDCR-AWEZNQCLSA-N 343.427 3.554 0 50 EHAA COc1ccc(CN2Cc3ccc(C(=O)O)cc3C2)cc1OC(F)F 901646221 LITMBNQNOXEAMR-UHFFFAOYSA-N 349.333 3.511 0 50 EHAA Cc1csc([C@@H](NC(=O)c2ccnc(-c3ccco3)c2)C2CC2)n1 933510881 YKCICDMUGOUPON-INIZCTEOSA-N 339.420 3.988 0 50 EHAA Cc1c(Cl)cccc1NC(=O)CC(=O)N1CCC2(CCCC2)C1 952969150 PORRAFHKHXATNG-UHFFFAOYSA-N 334.847 3.770 0 50 EHAA Cc1ccc(-c2ccc(C(=O)NC[C@H](c3ccco3)N(C)C)cc2)o1 952971537 ORDLYKAXJIIUNP-QGZVFWFLSA-N 338.407 3.881 0 50 EHAA Cc1c(NC(=O)CCc2ccc(Cl)cc2)cccc1C(=O)N(C)C 952976320 VTDOWNPGGOORGC-UHFFFAOYSA-N 344.842 3.922 0 50 EHAA CC1(C)C[C@H](c2ccccc2)CN1C(=O)Nc1nnc2ccccn12 1332727865 XLXLOHCHWGNWQX-HNNXBMFYSA-N 335.411 3.529 0 50 EHAA c1csc(CN2CCC[C@@H](Nc3ncnc4sccc34)C2)c1 1506401897 OIVMXIPVRFEEKI-GFCCVEGCSA-N 330.482 3.829 0 50 EHAA C[C@@H]1CCCN(CCCOc2ccccc2C(=O)C2CCOCC2)C1 1772805625 QUXDPNWBORSPSS-QGZVFWFLSA-N 345.483 3.797 0 50 EHAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2Cc1cnc(-c2cccc(C)c2)nc1 1857673136 QAKWYHOYGMPITK-ZVDOUQERSA-N 337.467 3.577 0 50 EHAA Cc1cc(-n2nc([C@H](C)O)nc2C2CC2)nc2cc(Cl)ccc12 1875246382 PDHMWCUKUHKQMS-JTQLQIEISA-N 328.803 3.708 0 50 EHAA COc1ccc2c(c1)CC[C@@H]1[C@@H]2OCCN1C(=O)C1(F)CCCCC1 1875326898 KBYQOUWHBRWERL-QZTJIDSGSA-N 347.430 3.582 0 50 EHAA C=CC(=O)N[C@H](c1ccc2c(c1)OCCCO2)c1ccccc1Cl 1875384971 ZRANVDQNXIOUHD-LJQANCHMSA-N 343.810 3.893 0 50 EHAA CN(C)Cc1ccc(-c2noc([C@H]3Cc4cccc(F)c4O3)n2)cc1 2325735981 TWTJOLRICKPZGQ-MRXNPFEDSA-N 339.370 3.614 0 50 EHAA CN(C(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc(F)c(F)c1 2325824699 MVSOQLGRGPEQKA-UHFFFAOYSA-N 345.324 3.781 0 50 EHAA Cc1ccc(C[C@@H](O)CN[C@@H](CC(C)C)c2ccccn2)c(C)c1 2325842151 PTFXPNBMJIVVDC-CTNGQTDRSA-N 326.484 3.979 0 50 EHAA Cc1nc(=NC(=O)c2ccc(-c3ccccc3Cl)o2)[nH]n1C(C)C 2356165870 IVLNEESQNMRBJO-UHFFFAOYSA-N 344.802 3.755 0 50 EHAA CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2=O 83565 NBNLUHIYAIKQIO-UHFFFAOYSA-N 343.404 3.696 0 50 EHAA COC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 128907 YZGDPNSNPCUJIE-UHFFFAOYSA-N 327.380 3.614 0 50 EHAA O=C(O)c1ccccc1C(=O)N1CCS[C@H]1c1ccc(Cl)cc1 194555 WBMUDYPJDDBFRN-INIZCTEOSA-N 347.823 3.926 0 50 EHAA O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(F)(F)F 208958 VYSLUACBWDIFNK-UHFFFAOYSA-N 333.269 3.904 0 50 EHAA COc1ccc(CCNC(=O)Cc2cccc3ccccc23)cc1OC 299520 QLZWGAYTZACQDG-UHFFFAOYSA-N 349.430 3.758 0 50 EHAA COc1ccc(N(C)C(=S)Nc2ccc3nsnc3c2)cc1 1163105 MXAHAWJBVGSPDY-UHFFFAOYSA-N 330.438 3.533 0 50 EHAA CCCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)cc2)c1 2053729 GONFNUHLGCOMKP-UHFFFAOYSA-N 344.436 3.611 0 50 EHAA CCOCc1ccc(OCc2ccc3c(n2)NCC3)c2ncccc12 2356142759 GEZFSADXPCBWFO-UHFFFAOYSA-N 335.407 3.713 0 50 EHAA CCOc1ccccc1-c1noc(CCC(=O)Nc2ccccc2)n1 6700753 VCKWWITYJDXCFD-UHFFFAOYSA-N 337.379 3.707 0 50 EHAA O=C(Nc1ccc(Cl)c(F)c1)N1CCC(c2ccncn2)CC1 416775881 VJOZREHNIVMZSZ-UHFFFAOYSA-N 334.782 3.681 0 50 EHAA Cc1cc(C(=O)Nc2ccccc2C(C)C)ccc1NS(C)(=O)=O 10315307 LXWCIBGUTPJOIG-UHFFFAOYSA-N 346.452 3.742 0 50 EHAA CCc1noc([C@@H](C)N[C@@H](C)Cc2cccc(C(F)(F)F)c2)n1 65430532 VRDNJKFUJRCKEC-WDEREUQCSA-N 327.350 3.933 0 50 EHAA CC(C)[C@@H](NC(=O)c1ccccc1C(F)(F)F)C1=CCCN(C)C1 67982337 MERJUVWUCFNEJW-MRXNPFEDSA-N 340.389 3.722 0 50 EHAA c1ccc(-c2nc(CN3CCN(Cc4ccco4)CC3)cs2)cc1 20530491 GRBFXYQQTAPTLC-UHFFFAOYSA-N 339.464 3.721 0 50 EHAA Cc1ccc(NC(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1C 331814453 BNPWBVHXISGDLM-MSOLQXFVSA-N 328.387 3.782 0 50 EHAA Cc1ocnc1C(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 151516033 JNVFTMZEITUCGG-INIZCTEOSA-N 326.396 3.641 0 50 EHAA C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3)C(=S)N21 486216 IGMQTKVSBWAGJG-SJCJKPOMSA-N 347.443 3.787 0 50 EHAA biogenic CSc1nc2c(c(OC(=O)c3cccc(Cl)c3)n1)CCCC2 1386874 UWHVBUYWRCUTFA-UHFFFAOYSA-N 334.828 3.950 0 50 EHAA Cc1ccc(C(=O)O)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 4813751 JRVWZUMLZDHWDG-LLVKDONJSA-N 333.771 3.753 0 50 EHAA CSCc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)o1 12585947 AZWURYSNVASDSZ-OAHLLOKOSA-N 348.443 3.998 0 50 EHAA CN(Cc1ccc(-n2cccn2)cc1)c1noc(-c2ccccc2)n1 77389417 NNQLZMIDLQNSFE-UHFFFAOYSA-N 331.379 3.559 0 50 EHAA Cc1ccc(Cc2cnc(NC(=O)[C@H]3CC[C@@H](N)C3)s2)cc1Cl 237830129 IAFOMHNVWXZLPF-QWHCGFSZSA-N 349.887 3.762 0 50 EHAA Cc1cccc(NC[C@H]2CCCN2Cc2cc3ccccc3nc2O)n1 374235128 CTPFPPOGAWFGJJ-GOSISDBHSA-N 348.450 3.720 0 50 EHAA COCc1nsc(N2CCC(c3c(C)[nH]c4ccccc34)CC2)n1 241846632 SMJFTRNHTVVNPZ-UHFFFAOYSA-N 342.468 3.858 0 50 EHAA C[C@@H](CN[C@H](c1ccc(F)cc1)c1nc[nH]n1)Sc1ccccc1 340251496 KZRTXBOPFPRNCQ-SUMWQHHRSA-N 342.443 3.804 0 50 EHAA O=C1C[C@@H](c2cccc(F)c2F)c2ncn(-c3cccc(F)c3)c2N1 40287917 WOFMAJBBHXXTDN-ZDUSSCGKSA-N 343.308 3.764 0 50 EHAA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1nc2ccccc2[nH]c1=O 142930175 IINABCCFFVBVTH-HOTGVXAUSA-N 349.434 3.605 0 50 EHAA O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nccn2CC2CCC2)C1 95521126 BQXUKKYGERSVER-QGZVFWFLSA-N 341.430 3.842 0 50 EHAA CC(C)Cc1ccc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)cc1 244626818 FTHSAPZZPFPPGA-BJLQDIEVSA-N 338.451 3.522 0 50 EHAA CCc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(F)cc3)n2)cc1 472399266 VPZJEOUXZPFZTH-LBPRGKRZSA-N 339.370 3.929 0 50 EHAA O=C(Nc1snnc1-c1ccccc1)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1 299799205 VTIZKVJLIUOJBW-NMWPEEMBSA-N 340.452 3.715 0 50 EHAA CCN(CC)Cc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299777664 NHNJWZNRJBGYMC-KSZLIROESA-N 340.471 3.604 0 50 EHAA C[C@@H](NC(=O)N[C@@H]1CCC[C@@H]1n1ccnc1)c1cccc(C2CC2)c1 895064587 SCOYMNYIJQDAJF-ZMYBRWDISA-N 338.455 3.915 0 50 EHAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1cc(Cl)ccc1F 275479539 IHNXZVGJIRNPAP-YVEFUNNKSA-N 337.826 3.563 0 50 EHAA CN(Cc1nccs1)[C@@H]1CC12CCN(Cc1ccsc1)CC2 275655658 KWFMWYKHNXDOBR-OAHLLOKOSA-N 333.526 3.691 0 50 EHAA Cc1nc(CNC(=O)[C@@H]2CCCO[C@@H]2C)oc1-c1ccc(Cl)cc1 276968450 XLBUIPSTPUUEBE-IUODEOHRSA-N 348.830 3.735 0 50 EHAA C[C@@H](C1CC1)n1cc(NC(=O)c2cnc(-c3ccco3)s2)cn1 186441658 NYCOQPTUQBDZTB-JTQLQIEISA-N 328.397 3.823 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](CO)Cc1ccc(-c2ccccc2)cc1 98091052 TYQICOFAZDVKMK-GOSISDBHSA-N 327.424 3.782 0 50 EHAA in-vitro CCN(C)C(=O)[C@H](C)Nc1ccnc2cc(C(F)(F)F)ccc12 302663492 BPALAWSITLZYOP-JTQLQIEISA-N 325.334 3.532 0 50 EHAA CC(C)CC(=O)Nc1ccc(N[C@H](c2cccnc2)c2ncc[nH]2)cc1 195091262 LWNYGVBNSNTZTC-LJQANCHMSA-N 349.438 3.991 0 50 EHAA O=C(Cc1ccc2ccccc2c1)N1CCC([C@@H]2CCCNC2)CC1 658960290 UCDOWHVPDXDPAG-OAQYLSRUSA-N 336.479 3.621 0 50 EHAA CN(Cc1ccccc1-c1ccccc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1529186199 AWZJHTZMDPSLRY-HSALFYBXSA-N 334.463 3.700 0 50 EHAA CCc1c(C)noc1NC(=O)c1cccc(NC(=O)[C@@H](C)CC)c1 1529179880 FTMYZLKLDILPSO-NSHDSACASA-N 329.400 3.782 0 50 EHAA CN(C)CCOC(=O)[C@@H](C[C@@H]1CCCO1)c1cccc2ccccc12 5674775 WINDMCCYDFPNPV-PXNSSMCTSA-N 341.451 3.597 0 50 EHAA Cc1ccccc1[C@H](CC(=O)N1CCc2[nH]ncc2C1)c1ccccc1 12300955 PCOLURWANVNYSV-HXUWFJFHSA-N 345.446 3.825 0 50 EHAA Cc1cccc(C)c1OCc1cc(C(=O)NC(C2CC2)C2CC2)no1 12588603 QYFLHCXTKSERAD-UHFFFAOYSA-N 340.423 3.789 0 50 EHAA COc1ccccc1NC(=O)Nc1ccccc1C(=O)N1CCCC1 16286281 FRTACOYFVBREGP-UHFFFAOYSA-N 339.395 3.575 0 50 EHAA Cc1ccc(F)cc1C1(c2noc([C@@H]3C[C@@H]4CC(=O)[C@H]3C4)n2)CC1 1857532533 WRJDNRSEEBPKTP-KWCYVHTRSA-N 326.371 3.680 0 50 EHAA Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CCCC[C@H]1OCCC(C)C 230112554 FFPCTJXCIKXZHH-JCGIZDLHSA-N 349.519 3.631 0 50 EHAA COc1cc(/C=C/C(N)=O)cc(Cl)c1OCc1ccc(F)cc1 226335928 YZJNIAFIHKHPKC-QPJJXVBHSA-N 335.762 3.565 0 50 EHAA CC(C)c1nnc(CN[C@H](c2ccccc2)C2(CO)CCCC2)o1 459534466 QFIAQCMGGQAXTB-QGZVFWFLSA-N 329.444 3.577 0 50 EHAA O=S(=O)(CC1CCCCC1)N[C@@H]1CCCc2c(F)cc(F)cc21 1259623855 WWQFNLMQTZBKNI-QGZVFWFLSA-N 343.439 3.842 0 50 EHAA C[C@]1(CCNC(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)C[C@]1(F)Cl 852397114 VFCVNIWZISDZJL-HDEZJCGLSA-N 346.874 3.682 0 50 EHAA O=C(O)CC[C@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1 225901580 WSNYDIRTGGFGKJ-MRVPVSSYSA-N 336.240 3.772 0 50 EHAA Cc1ccc(S(=O)(=O)c2ncsc2NCc2ccccc2)cc1 1857800228 PFRZSMKWWRKKAU-UHFFFAOYSA-N 344.461 3.896 0 50 EHAA COc1c(CN(C)C[C@H]2CCc3nccn3C2)ccc2ccccc12 2325750494 WCJQCKWXWYGPKE-MRXNPFEDSA-N 335.451 3.739 0 50 EHAA Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 259352 AZRKBXKTSRYIJI-AWEZNQCLSA-N 338.835 3.986 0 50 EHAA COc1cc(OC)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1 375620 VOIFDOHTZYAZDL-UHFFFAOYSA-N 340.206 3.941 0 50 EHAA CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(C)=O)c1C 474797 QJOLODIIBXYWBI-UHFFFAOYSA-N 349.383 3.827 0 50 EHAA Cc1ccc(COc2ccc(C(=S)N3CCOCC3)cc2)cc1 573359 SXOLQTJLESGFBM-UHFFFAOYSA-N 327.449 3.582 0 50 EHAA COC(=O)c1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1 1208212 WMKJEWCMUFOLDW-UHFFFAOYSA-N 327.380 3.760 0 50 EHAA CSc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1 2873110 WHZRNIIUKFXEKS-UHFFFAOYSA-N 325.480 3.931 0 50 EHAA CC[C@@H](C)[C@@H](NCCC(=O)c1ccc(OCCC(C)C)cc1)C(=O)O 2922134 IFMZGOYCCXGBOU-DNVCBOLYSA-N 349.471 3.773 0 50 EHAA CC(C)(C)c1csc(NS(=O)(=O)c2cccc(Cl)c2)n1 3997619 IHYMPPITTSFBJV-UHFFFAOYSA-N 330.862 3.895 0 50 EHAA O=C(NCc1ccc(Cl)cc1)c1ccc(-n2cnnc2)cc1Cl 4709809 ORHWMZXMTWUGNH-UHFFFAOYSA-N 347.205 3.504 0 50 EHAA CCc1ccc(CC)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c1 5516154 XRTVAUPONFZBTR-UHFFFAOYSA-N 346.452 3.571 0 50 EHAA Cc1ncsc1CCC(=O)N[C@H]1CCCN(C2CCCCCC2)C1 12709521 LSKGHDRMXIEEEL-INIZCTEOSA-N 349.544 3.688 0 50 EHAA O=C1CN(C(=O)Cc2ccc(-c3ccccc3)cc2)c2ccccc2N1 12914248 NQANRKNMOYPGRY-UHFFFAOYSA-N 342.398 3.881 0 50 EHAA CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1ccc(C)s1 15003303 NLQQSJXDRDLTCV-BBRMVZONSA-N 344.505 3.768 0 50 EHAA Cc1ccc(NC(=O)Cc2noc(-c3ccccc3)n2)cc1Cl 16577853 YNNMPNDJWVGHGS-UHFFFAOYSA-N 327.771 3.880 0 50 EHAA O=C(c1cc2c(s1)CCCCC2)N1CCN(Cc2ccco2)CC1 16603479 WCHYPYWKZFGDEP-UHFFFAOYSA-N 344.480 3.568 0 50 EHAA Cc1cc(Br)c(Br)nc1Br 21983227 XXEWSVZWDLDXRE-UHFFFAOYSA-N 329.817 3.678 0 50 EHAA CN(Cc1cnn(C)c1)Cc1cnc(Nc2cccc(Cl)c2)s1 23431528 BKMWFUVRHVQDRQ-UHFFFAOYSA-N 347.875 3.906 0 50 EHAA Oc1ccccc1-c1nc(CSc2nc3ccccc3o2)no1 23549952 IKQKUBFBJZCWNB-UHFFFAOYSA-N 325.349 3.876 0 50 EHAA O=C1OCC2=C1[C@H](c1ccc(Cl)cc1)CC(=O)N2c1ccccc1 35142766 GNJASXIGFOLMFU-HNNXBMFYSA-N 339.778 3.671 0 50 EHAA COc1ccc([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)c(OC)c1 49544574 WFGIYDNERGIBAF-CYBMUJFWSA-N 329.400 3.779 0 50 EHAA CCCCC(=O)Nc1ccc(NC(=O)[C@](C)(O)c2ccccc2)cc1 55245074 RDDHFKKKIIOIKJ-HXUWFJFHSA-N 340.423 3.662 0 50 EHAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1CCCC[C@@H]1CO 55270497 JNPCYWHLNCVDEI-CYBMUJFWSA-N 333.815 3.895 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)NCc1noc(-c2ccco2)n1 55386580 XIUBDJAAVIPSQR-UHFFFAOYSA-N 341.411 3.552 0 50 EHAA C/C=C(\C)c1c(-c2ccccc2)ncn1CCNC(=O)c1cccnc1 65386458 XPWDMAUHAVIPDI-HQYXKAPLSA-N 346.434 3.798 0 50 EHAA CCOc1cc(-c2nccn2CCCc2c(C)noc2C)ccc1O 67894300 HSEDKNAVXMBMMD-UHFFFAOYSA-N 341.411 3.892 0 50 EHAA Cc1ccc(-c2ccnc(NCC3(Cn4ccnc4C)CC3)n2)c(C)n1 71747725 VLRWTRDHCHJEHK-UHFFFAOYSA-N 348.454 3.553 0 50 EHAA CC(C)[C@@H]1CN(C(=O)c2cc3sccc3[nH]2)CCCN1CC1CC1 71748212 MYZDQSTXVJBTFF-KRWDZBQOSA-N 345.512 3.812 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 91746758 AIVQEYPGRSJGHD-MRXNPFEDSA-N 340.427 3.517 0 50 EHAA O=C1CCC2(CCNCC2)CN1CC1(c2ccccc2F)CCCC1 92099141 IYYUBHMEJAYOCA-UHFFFAOYSA-N 344.474 3.630 0 50 EHAA O=C(Cc1cscn1)N(C[C@H](O)c1ccccc1)C1CCCCC1 96136530 IFVKTFNXXXXGDI-SFHVURJKSA-N 344.480 3.581 0 50 EHAA Cc1ccc([C@H]2COCCN2C(=O)c2cccc(-n3cccc3)c2)o1 116708965 KVAHKXNWIWNTFJ-GOSISDBHSA-N 336.391 3.592 0 50 EHAA CC(C)c1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)no1 123732063 MJFWOZWGOIXWDB-DOTOQJQBSA-N 341.455 3.581 0 50 EHAA CCNc1ncc(CN2CCC[C@@H](c3ccc(Cl)cc3)C2)cn1 216077675 KOWUZGDYMUVLHB-MRXNPFEDSA-N 330.863 3.941 0 50 EHAA Cc1oc([C@@H](CC(C)C)NC(=O)OCc2ccccc2)nc1C(=O)O 218912251 MULLZAJRBDDYAA-CQSZACIVSA-N 346.383 3.695 0 50 EHAA CCN(C[C@@H]1CCCCO1)C(=O)c1ccc(N2CCCCC2)cc1 219688266 HFYRUTAUUFPVIR-IBGZPJMESA-N 330.472 3.708 0 50 EHAA Cc1nc(C)c(NC(=O)N[C@H](c2cccs2)C(C)(C)CO)s1 241837499 SKRNAZBFBAPEII-GFCCVEGCSA-N 339.486 3.703 0 50 EHAA COc1ccccc1[C@H](CN[C@@H](C)c1cc(C)n(C)n1)OC(C)C 242324494 ZBTGKPRWCSPZJK-KXBFYZLASA-N 331.460 3.554 0 50 EHAA CCN(CCSc1ccccc1)Cc1noc([C@@H]2CCCO2)n1 244866554 VYGMAEGQDSVRTD-HNNXBMFYSA-N 333.457 3.535 0 50 EHAA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)c1ccsc1 252511725 KCLQVFQRRTZEIZ-UCLAIMLFSA-N 340.492 3.995 0 50 EHAA Cc1cc2oc(=O)cc(CN(C)[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)c2cc1C 252514489 CPQHCQLMUCIOGS-YSGRDPCXSA-N 341.451 3.655 0 50 EHAA COc1cc(OC)c(-c2noc(-c3cscc3C)n2)cc1OC 253418846 AYTYTTWOLBHJGA-UHFFFAOYSA-N 332.381 3.799 0 50 EHAA O=C(c1ccsc1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 253420420 VGZAITIZQJAHQR-INIZCTEOSA-N 335.856 3.987 0 50 EHAA Cc1ccc(CC2CCN(C(=O)Nc3cnns3)CC2)cc1C 297726308 IZZGZGOPRRNOJD-UHFFFAOYSA-N 330.457 3.642 0 50 EHAA C[C@H]1Cc2cc(NC(=O)N(C)Cc3cc(C4CC4)on3)ccc2O1 299801760 XMPVZXACKFGAMR-NSHDSACASA-N 327.384 3.539 0 50 EHAA COc1ccc(CNc2cc(Cl)nc(N)n2)cc1OC1CCCC1 301208998 TVTBYRZGDLAXQM-UHFFFAOYSA-N 348.834 3.654 0 50 EHAA C[C@H]1CCC[C@H](C(=O)N2CCC(c3ccccc3C(=O)O)CC2)C1 364847028 WUNCZBGVHORGAY-HOCLYGCPSA-N 329.440 3.917 0 50 EHAA Cc1cc(Br)ccc1N(C)C(=O)c1cnn2ccccc12 408512886 FFPAZNQFPGAXSV-UHFFFAOYSA-N 344.212 3.682 0 50 EHAA Cc1ccc(NC(=O)C(=O)NCc2ccccc2)c(-c2ccccc2)c1 642886991 AWTLXLDETPWZRB-UHFFFAOYSA-N 344.414 3.917 0 50 EHAA CC(C)Oc1cc(Cl)ccc1-c1noc(C2(n3cccn3)CC2)n1 904157425 WYEFBDCJLONWGT-UHFFFAOYSA-N 344.802 3.911 0 50 EHAA O=C(O)c1ccc(CC(=O)N2CCC[C@H]2c2ccc(F)cc2F)cc1 911546645 VJKMAOONGLQVHP-KRWDZBQOSA-N 345.345 3.569 0 50 EHAA CCn1ncc(NC(=O)[C@]2(c3ccc(OC)cc3)CC2(C)C)c1C 1506425829 GSICXNRGSOZVAA-LJQANCHMSA-N 327.428 3.526 0 50 EHAA Cc1cc(CCCC(=O)NCc2ncc(C(F)(F)F)[nH]2)c(C)s1 1775984905 KXQCIYISQHQEAK-UHFFFAOYSA-N 345.390 3.746 0 50 EHAA Cn1cc(NC(=O)c2ccc(-c3ccco3)o2)c(-c2ccccn2)n1 1875261968 KOSZIAHZUNCDBB-UHFFFAOYSA-N 334.335 3.587 0 50 EHAA O=C(c1ccc(C2CC2)nc1O)N1CC[C@](F)(c2ccccc2F)C1 1875271716 SUJPDFPPXWTWKC-LJQANCHMSA-N 344.361 3.515 0 50 EHAA CCCCCn1cc(CNCc2cn(CC)nc2C2CC2)c(C)n1 1875285009 ZOAIMMSKFCKXMR-UHFFFAOYSA-N 329.492 3.765 0 50 EHAA C[C@H]1[C@H](NC(=O)c2ccccc2)CCCN1Cc1ccncc1Cl 1875303145 XTPNIXXIZZLVGN-KBXCAEBGSA-N 343.858 3.518 0 50 EHAA C=CC(=O)N(Cc1cccc(Cl)c1F)[C@@H](C)C1CCOCC1 1875382778 QQFNSSLTRVBWLK-LBPRGKRZSA-N 325.811 3.809 0 50 EHAA N=[S@]1(=O)CCC[C@]2(CCCN2C(=O)c2cccc(C3CCC3)c2)C1 1875395367 BWAGYCCVNYNFLO-DVECYGJZSA-N 346.496 3.769 0 50 EHAA Cc1ccnc2c(N3CCN(Cc4ccccc4)C[C@H](C)C3)ccnc12 2325860401 HIXSEESRUIFXIU-KRWDZBQOSA-N 346.478 3.897 0 50 EHAA COc1ccc(-c2cnccc2CN2CCC[C@H](OC)C2)cc1F 2356134709 YTOCVTRZBNCMMM-INIZCTEOSA-N 330.403 3.507 0 50 EHAA O=C(NC[C@@H]1CCCO1)c1cc(-c2ccccc2)nc2ccccc12 30177 ZLPQNEBQRNLUPQ-INIZCTEOSA-N 332.403 3.811 0 50 EHAA COc1ccc2c(C)cc(Sc3nnnn3-c3ccccc3)nc2c1 127904 MOEIJXLCHBBKEC-UHFFFAOYSA-N 349.419 3.679 0 50 EHAA O=C(NCc1ccccc1Cl)C1(c2ccccc2)CCOCC1 185140 VHGXASVZVVYAFD-UHFFFAOYSA-N 329.827 3.705 0 50 EHAA COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(F)cc3)[C@H]1CC2 193189 NZVASBWFMHOING-PXNSSMCTSA-N 338.382 3.704 0 50 EHAA CC(=O)NCc1nc2ccccc2n1Cc1c(F)cccc1Cl 200657 BJKOPRGVDABSTL-UHFFFAOYSA-N 331.778 3.513 0 50 EHAA COc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C)cc1Cl 310670 TZRWGNDBCLALOJ-VIFPVBQESA-N 338.256 3.565 0 50 EHAA CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 358215 NAEPNAFHUFJAQM-UHFFFAOYSA-N 332.812 3.669 0 50 EHAA COc1ccc(C(=O)COc2ccc3c(C)c(C)c(=O)oc3c2)cc1 409116 HLGTVVJDDWUDPG-UHFFFAOYSA-N 338.359 3.680 0 50 EHAA Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)n1 452560 DAEYAIVZSWAXRB-UHFFFAOYSA-N 339.631 3.697 0 50 EHAA CC(C)C(=O)NCCc1nc2ccccc2n1[C@@H](C)c1ccccc1 560853 NOZVNKDJPRZSDI-INIZCTEOSA-N 335.451 3.960 0 50 EHAA CCCCn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 2303363 JKHQKKCJBSRWRF-UHFFFAOYSA-N 343.452 3.658 0 50 EHAA Cc1c(C(=O)O)cc(C(C)(C)C)n1CCCNC(=O)OC(C)(C)C 2380618 DIOWQCJIBSMJSL-UHFFFAOYSA-N 338.448 3.707 0 50 EHAA CCOC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3OC)nc12 2743747 XFZAKTOOFRPCIX-UHFFFAOYSA-N 347.321 3.519 0 50 EHAA COc1ccccc1N1CCN(C(=O)c2ccc3ccccc3c2)CC1 3480236 RFHPYPRBMQMTRS-UHFFFAOYSA-N 346.430 3.811 0 50 EHAA Cc1cccc(-c2noc(CCCC(=O)NCc3ccccc3)n2)c1 4870185 ANMGVFLMWIHOMV-UHFFFAOYSA-N 335.407 3.684 0 50 EHAA CCOC(=O)[C@@H]1CCCN(c2cc(C)c3cc4c(cc3n2)CCC4)C1 5006307 LHHSKMHGVUIVSB-QGZVFWFLSA-N 338.451 3.811 0 50 EHAA COc1cccc(-c2cn3c(C(=O)N4CCCCC4)csc3n2)c1 11903089 SGYKAWPMHGYJIQ-UHFFFAOYSA-N 341.436 3.698 0 50 EHAA O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cn(C2CCCCCC2)nn1 12373408 WRLMUQUKSMFCBN-OWCLPIDISA-N 328.460 3.506 0 50 EHAA COc1ccc(OC)c([C@@H](C)NC(=O)c2c(F)cccc2Cl)c1 12383669 TXBZQJBOCGTDIM-SNVBAGLBSA-N 337.778 3.987 0 50 EHAA O=C(CCC1CCN(C(=O)c2ccoc2)CC1)Nc1ccccc1 12709809 PFXVISXZQAKPLX-UHFFFAOYSA-N 326.396 3.551 0 50 EHAA C1=CC[C@H](CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)CC1 12717791 HWAYNOZDDDKJOU-AWEZNQCLSA-N 338.407 3.785 0 50 EHAA CSc1cccc(CN2CCC[C@H](CNC(=O)c3ccco3)C2)c1 14950268 BADFGEMQWQLWKG-MRXNPFEDSA-N 344.480 3.644 0 50 EHAA CSCCC(=O)NCc1cccnc1Oc1c(C)cccc1C 15062795 HXMLMZGQAQOJHY-UHFFFAOYSA-N 330.453 3.860 0 50 EHAA CC(C)[C@@H](C)NC(=O)N1CCC(n2cc(C3CCCCC3)nn2)CC1 55042334 IWEGATYEDZJHJE-OAHLLOKOSA-N 347.507 3.717 0 50 EHAA Cc1cc2nc(CNCc3c[nH]nc3-c3ccc(F)cc3)[nH]c2cc1C 55242518 MBKCWENQGVCMKO-UHFFFAOYSA-N 349.413 3.999 0 50 EHAA O=C(Nc1ccccc1OCCCc1ccccc1)[C@@H]1CCOC1 55282150 RAYPFFKFXIAVMD-QGZVFWFLSA-N 325.408 3.673 0 50 EHAA COc1cccc(CN2CCN(c3cccc(C(C)C)n3)CC2)c1F 67654263 YUVXEWAETKZJIJ-UHFFFAOYSA-N 343.446 3.675 0 50 EHAA Cc1cc(F)ccc1CN(Cc1cccnc1)C1CCN(C)CC1 72143483 SSKKCMIVKUKFMN-UHFFFAOYSA-N 327.447 3.626 0 50 EHAA COc1cccc(-n2cc(CN(C)Cc3cc(C)c(C)o3)cn2)c1 72157639 QVACFANDDHMIQE-UHFFFAOYSA-N 325.412 3.723 0 50 EHAA Cc1ccc(OC2(C(=O)O)CCN(C[C@@H]3CC=CCC3)CC2)cc1 72432095 BKRRGLPLPFFDTP-QGZVFWFLSA-N 329.440 3.649 0 50 EHAA CN(Cc1cc(-c2ccccn2)no1)C(=O)C[C@@H]1CCc2ccccc21 91504975 SGMALDXZTGNHFC-INIZCTEOSA-N 347.418 3.815 0 50 EHAA O=C(NCc1nc2ccccc2o1)c1ccc(CN2CCCCC2)cc1 91586376 PVGGEDKCJSDWPR-UHFFFAOYSA-N 349.434 3.744 0 50 EHAA O=C(c1ccc(C[C@H]2CCOc3ccccc3C2)nc1)N1CCCC1 95519870 MGTJIEOTRJOOEZ-INIZCTEOSA-N 336.435 3.502 0 50 EHAA Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1 95803215 OGJGQVFWEPNYSB-UHFFFAOYSA-N 326.831 3.539 0 50 EHAA in-vivo O=S1(=O)N=C(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)=N1 116484416 KFHHTPYHDNPKOF-UHFFFAOYSA-N 339.203 3.530 0 50 EHAA Cc1cnc2c(c1)N(C(=O)Cc1coc3c(C)c(C)ccc13)CCO2 126791306 YRZSLLSGZJOIFH-UHFFFAOYSA-N 336.391 3.721 0 50 EHAA O=C(Nc1ccccc1C(F)(F)F)N1CC[C@H]2OCCC[C@H]2C1 130355862 OOLSGSPJJRFWDG-SMDDNHRTSA-N 328.334 3.738 0 50 EHAA CCc1ccc(-c2ccc(C(=O)Nc3cc(COC)ncn3)o2)cc1 155791356 CMYIPNPXNVHZIK-UHFFFAOYSA-N 337.379 3.698 0 50 EHAA Cc1sc2ncnc(N3CCC4(CC3)OCC(C)(C)CO4)c2c1C 169975709 RLVQKRBFUZFBEI-UHFFFAOYSA-N 347.484 3.678 0 50 EHAA Cc1cc(C(=O)N2CC[C@H](CN)C2)sc1-c1cccc(Cl)c1 178519810 WDHONMSTHLCAQM-GFCCVEGCSA-N 334.872 3.798 0 50 EHAA Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3nc(C)c(C)nc3C)nc2c1 185333087 HZKGYVWZDUSKSQ-QGZVFWFLSA-N 349.438 3.564 0 50 EHAA CCn1cc(NC(=O)N2CCC(c3ccc(Cl)cc3)CC2)cn1 187378025 STZNNCBMMSYRNZ-UHFFFAOYSA-N 332.835 3.968 0 50 EHAA O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@H]21)c1cccnc1C(F)(F)F 188420164 IVZMCKPYMRPRNT-NWANDNLSSA-N 332.325 3.559 0 50 EHAA O=C(C[C@@H]1C=CCCC1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 189043922 CUXPRCSXJVUEDR-KGLIPLIRSA-N 341.377 3.812 0 50 EHAA CCNc1ccc(Cl)cc1C(=O)N1CCO[C@@H](c2ccco2)C1 190417078 XQPQJURRPIIBQL-MRXNPFEDSA-N 334.803 3.579 0 50 EHAA Cc1[nH]nc2ncc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12 194285694 ODRITQGYYWHQGM-INIZCTEOSA-N 340.814 3.897 0 50 EHAA in-vitro Clc1ccc(C2(CN[C@@H](c3cccnc3)c3ncc[nH]3)CC2)cc1 195022102 OICIJKJXYWPESF-KRWDZBQOSA-N 338.842 3.869 0 50 EHAA Cc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 229431402 PSBRWXBUYYSRKT-RRFJBIMHSA-N 343.393 3.724 0 50 EHAA C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@@H]1CCN2CCC[C@H]2C1 252511210 DZWFLHIDKSFIKW-AHRSYUTCSA-N 341.499 3.624 0 50 EHAA Cc1c(Cl)cccc1C(=O)N(C)[C@H]1CCO[C@@H]1c1cccnc1 299741493 FGPXNFWIMOWAOJ-DLBZAZTESA-N 330.815 3.646 0 50 EHAA C[C@@H]1CCc2sc(C(=O)NCCc3nc4c(s3)CCC4)cc2C1 299778577 MUPRZCUVLDLORQ-LLVKDONJSA-N 346.521 3.791 0 50 EHAA CSCC[C@@H](C(=O)Nc1ccc2nc(C)[nH]c2c1)n1cccc1 409413618 JLMIOLUVFRCHHR-INIZCTEOSA-N 328.441 3.606 0 50 EHAA C[C@H](NCc1c2c(nn1C)CCCC2)c1cccc(OC(F)F)c1 462815408 CXWCGQUHQMMGAR-LBPRGKRZSA-N 335.398 3.751 0 50 EHAA COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCCN2C)cc1 599297463 RBNCVXJVJPYDED-QGZVFWFLSA-N 340.423 3.910 0 50 EHAA c1cncc(-c2nc(N[C@@H]3C[C@H]3C3CCOCC3)c3ccccc3n2)c1 866273862 UYAJVQLJJZQUNN-PKOBYXMFSA-N 346.434 3.919 0 50 EHAA Fc1ccccc1OCCNCc1cnc(C2CCCCC2)nc1 952981175 ZRDDKZQDEBOKPY-UHFFFAOYSA-N 329.419 3.832 0 50 EHAA Cc1ccccc1-c1ncc(CN(C)CCCn2cccn2)s1 1506369013 XFCXMWHBSCNCAQ-UHFFFAOYSA-N 326.469 3.837 0 50 EHAA CCC[C@H]1CN(C(=O)c2[nH]c3c(C)cc(C)cc3c2C)C[C@@H]1N(C)C 1565508180 GKXHCJBMGKWEDK-WMZOPIPTSA-N 341.499 3.895 0 50 EHAA FC1(F)C[C@]12C[C@H]2N=c1nc(-c2cc(Cl)cc(Cl)c2)[nH]o1 1875332498 VLAXPXQTKBRAAX-SKDRFNHKSA-N 332.137 3.675 0 50 EHAA COc1cccc([C@@H]2CCN(c3ncnc4sccc34)C2)c1OC 1875379353 RALOKUBBRJFATG-GFCCVEGCSA-N 341.436 3.702 0 50 EHAA O=C1N(c2cncc3ccccc23)CC[C@]1(O)c1cccc(Cl)c1 2325820872 YJEUVMCEEMSKGZ-IBGZPJMESA-N 338.794 3.513 0 50 EHAA O=C(Nc1ccc(-n2nccn2)cc1)c1csnc1-c1ccccc1 2325824574 HDKMHDJJUMSNNU-UHFFFAOYSA-N 347.403 3.643 0 50 EHAA Cc1nc([C@@H](C)NCc2ccc3[nH]ccc3c2)nn1-c1ccccc1 2325859755 JKVHSZUQOQKKIU-CQSZACIVSA-N 331.423 3.908 0 50 EHAA O=C(Nc1nccs1)C(=O)c1c(-c2ccccc2)cc2ccccn12 1774887 HXGLFHFVSBXKMU-UHFFFAOYSA-N 347.399 3.884 0 50 EHAA Cn1c(=O)cc2c3c(c(N4CCCCC4)ccc31)C(=O)c1ccccc1-2 2348208 ZMXVWFFEPNMQNW-UHFFFAOYSA-N 344.414 3.740 0 50 EHAA CCCCNCCOCCOc1ccc(C)cc1Br 3461119 PCXONJJXYHRMLO-UHFFFAOYSA-N 330.266 3.543 0 50 EHAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(C(=O)NC(C)(C)C)C2)c1 11879469 CFPVKHXRHXXUMN-MRXNPFEDSA-N 346.471 3.877 0 50 EHAA Cc1cc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)[nH]n1 12305432 CORSAWBOPTXJNA-CQSZACIVSA-N 331.847 3.775 0 50 EHAA COC[C@H]1CCN(C(=O)CC2c3ccccc3CCc3ccccc32)C1 12386600 NZTHIMLCZVCXML-KRWDZBQOSA-N 349.474 3.802 0 50 EHAA Cc1ccc(OCCOCCN2C[C@H](C)O[C@H](C)C2)c(C(C)(C)C)c1 16247696 KPEJMMOWDXLDCV-HDICACEKSA-N 349.515 3.797 0 50 EHAA c1ccc(CCN2CCC[C@]3(CCN(Cc4ccncc4)C3)C2)cc1 55132912 RDENUQZDRDQPKZ-QFIPXVFZSA-N 335.495 3.612 0 50 EHAA CCn1ccnc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66850975 BAFWYWOGVDDYGC-OAHLLOKOSA-N 340.254 3.783 0 50 EHAA CCc1[nH]c2c(CNC(=O)c3ncccc3OC)cc(F)cc2c1C 71776467 OFRXSAIKTYKZMU-UHFFFAOYSA-N 341.386 3.511 0 50 EHAA O=C(c1ccc(Cn2ccnc2)o1)N1CCCCC[C@H]1c1ccco1 76510451 KNQTYCZKLULYQC-INIZCTEOSA-N 339.395 3.875 0 50 EHAA CC(C)c1cc(C(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)on1 91505486 PEFPCEAUYKUTBG-GFCCVEGCSA-N 332.425 3.595 0 50 EHAA Cc1nc([C@H](C)N(C)C(=O)c2ccc3c(c2)CCCO3)c(C)s1 91574996 HDPNRWMIVAWXEO-NSHDSACASA-N 330.453 3.918 0 50 EHAA CCc1n[nH]c(C(=O)NCCCSCc2cccc(C)c2)c1C 97732830 DCVNMACTNWUNBB-UHFFFAOYSA-N 331.485 3.642 0 50 EHAA O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cn1 100759623 BRAXQASEJVLCTF-NSHDSACASA-N 335.190 3.511 0 50 EHAA CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@H](c2ccccc2Cl)NC(=O)N1 101112951 MXVHDCQSVCRVKH-JJMVLAAESA-N 348.830 3.700 0 50 EHAA CC(C)(C)OC(=O)N[C@H]1CCc2cc(Br)ccc2C1 115897836 UZFURLOGNBMQCD-ZDUSSCGKSA-N 326.234 3.831 0 50 EHAA Cc1ccccc1-c1cc(NC(=O)N(C)Cc2cscn2)n(C)n1 170596053 OMODSPJVSWBRCV-UHFFFAOYSA-N 341.440 3.516 0 50 EHAA Cc1cccc(C2=CCN(Cc3cc(-c4cnn(C)c4)no3)CC2)c1 185046539 PGNVQOCAOVDJFN-UHFFFAOYSA-N 334.423 3.673 0 50 EHAA C[C@@H](Cc1ccccn1)NC(=O)C1(c2ccc(Cl)cc2)CCC1 216322978 VZKWHBXGNRXIPW-AWEZNQCLSA-N 328.843 3.904 0 50 EHAA COc1cc(Cl)nnc1NC(=O)COc1cc(C)ccc1C(C)C 225796038 IYPCJLCAMJOTON-UHFFFAOYSA-N 349.818 3.588 0 50 EHAA Cc1cnc(CNC(=O)c2cc(C)c(Br)c(Cl)c2)o1 225810919 DIHMRYXPVXMRAR-UHFFFAOYSA-N 343.608 3.637 0 50 EHAA CCc1cccc(N(C(=O)Cc2nnc(C)o2)[C@H]2C[C@H]3CC[C@H]2C3)c1 247366048 RCMGENQIIUPEPP-BQFCYCMXSA-N 339.439 3.705 0 50 EHAA CC(C)C[C@]1(CO)CCCN1C(=O)CCCc1c[nH]c2ccccc12 252489969 KGJMQPACJIOKEO-NRFANRHFSA-N 342.483 3.890 0 50 EHAA C[C@@H](C(=O)NCCCO[C@H]1CCCc2ccccc21)c1ccccn1 252495503 ORVVNTGHBZMJPI-UZLBHIALSA-N 338.451 3.786 0 50 EHAA FC(F)c1nnc2ccc(N3CCC[C@H]3/C=C/c3ccccc3)nn12 253419500 XMPIIEDPMSFQQT-VFNNOXKTSA-N 341.365 3.744 0 50 EHAA CC(C)n1ncc2cc(C(=O)N3CCC=C(c4ccco4)C3)cnc21 288991307 HJCLXXRQBXGDEJ-UHFFFAOYSA-N 336.395 3.535 0 50 EHAA c1nc(N2CCC(c3ccsc3)CC2)c2ncn(C3CC3)c2n1 292738808 MUQHEWQIKNBALN-UHFFFAOYSA-N 325.441 3.607 0 50 EHAA Cc1ccc(-c2cc(CN3[C@H](C(=O)O)C[C@H]4CCCC[C@H]43)on2)cc1 294193738 GKCCMNDAZGKXGJ-LZQZEXGQSA-N 340.423 3.868 0 50 EHAA Cc1csc(C2(NC(=O)c3ccc4cc[nH]c4n3)CCCC2)n1 329304950 YDSKYVWTAIZPSR-UHFFFAOYSA-N 326.425 3.527 0 50 EHAA CC(C)(C)c1cnc(NC(=O)c2ccc(Br)cn2)s1 330916494 KRCDMNJEKPQGDH-UHFFFAOYSA-N 340.246 3.850 0 50 EHAA O=C(NCCCNc1cccnc1)[C@@H]1CCCc2c1[nH]c1ccccc21 827755280 PIYOXYIFQCFSRL-GOSISDBHSA-N 348.450 3.601 0 50 EHAA COc1c(Cl)cccc1CNC(=O)[C@H]1CCC(=O)c2ccccc21 887427197 HTXBVPQAXPSESL-HNNXBMFYSA-N 343.810 3.725 0 50 EHAA Cn1nc([C@H]2CCCO2)cc1NC(=O)c1cc(-c2ccccc2)ccn1 935711943 MWGPYFOEKXZJDI-GOSISDBHSA-N 348.406 3.586 0 50 EHAA CC(C)Cc1cc(C(=O)NC2(Cc3ccc(F)cc3)CC2)cc(O)n1 1449611316 VPAXLQSUMUOVHJ-UHFFFAOYSA-N 342.414 3.630 0 50 EHAA O=C(CCc1ccc(Cl)cc1)N1CCC(c2ccnc(O)c2)CC1 1772809033 KAXGRXUBHKCDLY-UHFFFAOYSA-N 344.842 3.779 0 50 EHAA Cc1cc(C(C)(C)C)ccc1O[C@@H](C)C(=O)NCc1cncs1 2325855325 SIEJEWMHNICVCN-ZDUSSCGKSA-N 332.469 3.833 0 50 EHAA COc1cc(C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1OC 35987 DFMOVWZOPBXSMW-GXTWGEPZSA-N 335.444 3.657 0 50 EHAA COc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1Cl 361093 XERLFKYOAUBYDM-UHFFFAOYSA-N 338.791 3.615 0 50 EHAA O=C(Cn1nc(-c2ccncc2)oc1=S)c1ccc(Cl)cc1 392164 ZELWTKGVRNFNDG-UHFFFAOYSA-N 331.784 3.804 0 50 EHAA COc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1OC 443333 RDVNNHUERFKDMR-UHFFFAOYSA-N 337.375 3.875 0 50 EHAA CS(=O)(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccs1 550657 NGQAQXSASPSBIF-CYBMUJFWSA-N 340.857 3.512 0 50 EHAA Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(F)cc2)n1 1056919 JYLUFCJGLQTOSF-UHFFFAOYSA-N 345.321 3.674 0 50 EHAA O=C(OCc1ccccc1F)c1cc(Br)ccc1O 1074533 HAQZHGBWJAYGPH-UHFFFAOYSA-N 325.133 3.651 0 50 EHAA CCCOC(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1 1801433 RESHTGFMPBTHKR-UHFFFAOYSA-N 327.380 3.579 0 50 EHAA O=C(CSc1nccc(-c2cccs2)n1)NC1CCCCC1 2805447 SLZAHBFEDJUHRY-UHFFFAOYSA-N 333.482 3.746 0 50 EHAA C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 3602895 GHMLZCJJLQGRDN-NSHDSACASA-N 333.771 3.517 0 50 EHAA CCOC(=O)C[C@@H](NC(=O)c1ccccc1C)c1ccc(C)cc1 3627295 WKZPSCNFNSORKQ-GOSISDBHSA-N 325.408 3.728 0 50 EHAA Cc1csc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)n1 4749786 QCLMBLCGGOUMAS-SECBINFHSA-N 341.230 3.620 0 50 EHAA O=C(Nc1c(Cl)ccc2nsnc12)c1cccnc1Cl 4786651 NZTYKTLMTSFHGN-UHFFFAOYSA-N 325.180 3.645 0 50 EHAA CC(=O)Nc1c(C)cc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1C 4842181 JLWPVOGGNPSEJC-UHFFFAOYSA-N 346.452 3.679 0 50 EHAA COc1ccc(CSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 6520714 IZXUXNYNEXZDFC-UHFFFAOYSA-N 327.409 3.781 0 50 EHAA Cc1cnc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)s1 10556186 AGRUNXMZHLINCS-SECBINFHSA-N 341.230 3.620 0 50 EHAA O=C(CSc1nccc(O)n1)N(c1ccccc1)c1ccccc1 17972061 RDDHHXSPOIDKLV-UHFFFAOYSA-N 337.404 3.639 0 50 EHAA Cc1ccccc1C(=O)N[C@H](NC(C)(C)C)C(Cl)(Cl)Cl 19228742 JUTGVENKSWWTSC-GFCCVEGCSA-N 337.678 3.809 0 50 EHAA O=[S@@](c1ccccc1)c1cccc(S(=O)(=O)c2ccccc2)c1 19864695 ZUAZKEHJHAAHCO-JOCHJYFZSA-N 342.441 3.686 0 50 EHAA CC(C)Nc1ncc(C(=O)N(Cc2ccco2)[C@H](C)C(C)C)cn1 55568798 DTXIGCWKODKQNA-CQSZACIVSA-N 330.432 3.577 0 50 EHAA O=C(CCc1ccco1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67723705 NDJHOTJWQFRWIV-LEWJYISDSA-N 349.430 3.742 0 50 EHAA CC(C)(N)C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 71745991 HUDLDTOZECRFIK-CYBMUJFWSA-N 342.405 3.614 0 50 EHAA CCn1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(C)n1 71750337 NLZAYODWRHJHJP-QGZVFWFLSA-N 343.446 3.836 0 50 EHAA COCCCCCC(=O)N1CCC(Oc2ccccc2Cl)CC1 77503905 RDOAPEKNIXROEW-UHFFFAOYSA-N 339.863 3.917 0 50 EHAA COc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)ccc1O 77504210 WMQHAONHVSCHDG-INIZCTEOSA-N 329.371 3.907 0 50 EHAA CCCc1nc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)cs1 92081174 CDOJIXLOGAWBKH-LBPRGKRZSA-N 329.347 3.524 0 50 EHAA CN1CCCC[C@H]1CCC(=O)NCc1cc(F)ccc1C(F)(F)F 95369825 FRHXFZCUTXIUKU-AWEZNQCLSA-N 346.368 3.725 0 50 EHAA CCOc1ccc(-c2nc(N)ncc2-c2ccccc2OC)c(O)c1 95405719 NLQKHLWJIQQKDD-UHFFFAOYSA-N 337.379 3.506 0 50 EHAA Cc1cc(C)cc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCN2C3=O)c1 169765823 MXWLESKBMXKMGI-IBGZPJMESA-N 349.434 3.568 0 50 EHAA C[C@@H]1CCC[C@H](CC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)C1 170611848 DOCIAAYVJWXERI-MJGOQNOKSA-N 348.531 3.844 0 50 EHAA COc1ccc2c(c1)N(Cc1nnc(-c3ccccc3)o1)C[C@@H](C)O2 173941936 MBIWNBIGUSMWHA-CYBMUJFWSA-N 337.379 3.533 0 50 EHAA Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)co1 187652722 VUAVZWNQBKPUJR-UHFFFAOYSA-N 336.347 3.732 0 50 EHAA CC(=O)c1cc(C(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)ccc1C 194318794 ODFUDGIELUAWGG-UGSOOPFHSA-N 343.448 3.861 0 50 EHAA C[C@H]1C[C@H](c2cccnc2)N(C(=O)CCc2cccc(N(C)C)c2)C1 194560676 NVCNHQIWFUVYFH-OXJNMPFZSA-N 337.467 3.690 0 50 EHAA Cc1cc(C)c2c(CC(=O)NCCNc3cccnc3)coc2c1C 215807147 MMQINYXAHVHCSI-UHFFFAOYSA-N 337.423 3.524 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(Br)s1 227223548 GZQMLOCPMLFHIA-USWWRNFRSA-N 344.274 3.728 0 50 EHAA O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCC[C@@H](c2nccs2)C1 229275785 XTQIOECMEBEABX-BPLDGKMQSA-N 330.428 3.792 0 50 EHAA CC(=O)N1CCCN(c2ccc(F)cc2NCc2ccsc2)CC1 253426633 HXCPULMUPVTTPZ-UHFFFAOYSA-N 347.459 3.558 0 50 EHAA Cc1ccc(C)c([C@@H]2CN(Cc3ccc(C(=O)O)cc3)[C@H](C)CO2)c1 263579204 UHPPESLWHSPOJA-UZLBHIALSA-N 339.435 3.964 0 50 EHAA Cc1c[nH]nc1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 290567334 YBROYJSRKALTTB-HNNXBMFYSA-N 326.227 3.598 0 50 EHAA Cc1ccc(C(=O)N2CCC(CCN3CCCC3)CC2)n1C(F)F 299762532 MYBRMDBDJNUCNN-UHFFFAOYSA-N 339.430 3.530 0 50 EHAA Cc1cccnc1[C@H](NC(=O)Nc1cc(C(C)C)nn1C)C1CC1 299772858 CNOBDEJCPHPWPO-QGZVFWFLSA-N 327.432 3.520 0 50 EHAA 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328.416 3.506 0 50 EHAA COc1ccc([C@@H](C)NCc2nc3ccccc3n2C)c(C)c1OC 287122892 ZJARCOSSKOYRPL-CQSZACIVSA-N 339.439 3.750 0 50 EHAA Cc1[nH]nc2ncc(NCc3ccc(F)cc3Br)cc12 361446803 FNXMADWFHJQLOU-UHFFFAOYSA-N 335.180 3.780 0 50 EHAA CC(C)N(C(=O)c1ccccc1-c1nc(N(C)C)ns1)C(C)C 426485683 JSCOFJNTOSZVOU-UHFFFAOYSA-N 332.473 3.530 0 50 EHAA CC[C@@H](CO)NC(=O)c1ccc(-c2ccc(C(=O)C(C)C)s2)cc1 426662431 ONNDTMSTFHHWIJ-HNNXBMFYSA-N 345.464 3.755 0 50 EHAA CCc1nc(NCc2ccc(CNC(C)=O)cc2)c2ccsc2n1 664156572 CJIZEEJZCUOVQJ-UHFFFAOYSA-N 340.452 3.502 0 50 EHAA Cc1nc(-c2ccc([C@H](C)N3CCCCC3)o2)n(CC(F)(F)F)n1 670456932 IQOZRTUTOLMKQM-NSHDSACASA-N 342.365 3.956 0 50 EHAA CN[C@H](CC(C)(C)C)c1nc(-c2ccc(-n3ccc(C)n3)cc2)no1 843240026 OCTHJGSHMRORMH-MRXNPFEDSA-N 339.443 3.927 0 50 EHAA FCCn1cc(CN2CC(Cc3cccc(C(F)(F)F)c3)C2)cn1 894818182 BNVFSLWSGUOSIC-UHFFFAOYSA-N 341.352 3.546 0 50 EHAA FC(F)(F)Oc1ccc(Cl)cc1NCc1noc2c1COCC2 901423752 JWPACUROQDUPKD-UHFFFAOYSA-N 348.708 3.911 0 50 EHAA 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EHAA O=C(NC1(c2cccc(Cl)c2)CC1)c1cc2c(cc1F)CCNC2 1875304930 ZWDLYEGTJDXSQK-UHFFFAOYSA-N 344.817 3.544 0 50 EHAA O=C(c1cc2c[nH]nc2s1)N1CC[C@H]2CC[C@@]21c1cccs1 1875396675 QNMBYLZNDBYRBB-BZNIZROVSA-N 329.450 3.837 0 50 EHAA Cc1cc(CN(C)C(=O)Cc2csc(C(=O)O)c2)ccc1Cl 2325788495 JPWWBXCOPWUEAZ-UHFFFAOYSA-N 337.828 3.609 0 50 EHAA Brc1ccc2c(CN3CC[C@@H](c4ccon4)C3)c[nH]c2c1 2325788561 OVKVXQRKKHLWCE-LLVKDONJSA-N 346.228 3.908 0 50 EHAA CC(C)c1ocnc1CNC(=O)c1ccc(CCc2ccccc2)[nH]1 2325806455 WPGDUFYBNNYEJV-UHFFFAOYSA-N 337.423 3.841 0 50 EHAA CC1(C)Oc2ccc(-c3nc(-c4ccc5c(c4)OCO5)no3)cc2O1 2325817835 WIYRHXIRBQNVDO-UHFFFAOYSA-N 338.319 3.640 0 50 EHAA Fc1cc(-c2cn(CC3=NO[C@@H]4CCCC[C@@H]34)nn2)ccc1Cl 2325853345 MFLFZRXNBRDOST-MEDUHNTESA-N 334.782 3.683 0 50 EHAA c1cncc(-c2ccc(CN=c3[nH]cnc4c3SCCC4)cc2)c1 2325854722 RKXFFPPNRXVMRY-UHFFFAOYSA-N 334.448 3.611 0 50 EHAA Cc1cc(F)c2c(c1)N[C@H](C(=O)N[C@@H](C1CCCC1)C1CCC1)C2 2325863368 GVLAURUKGWQFBH-OALUTQOASA-N 330.447 3.946 0 50 EHAA Cc1ccc(N2CCC[C@]3(CCCN3Cc3ccc(C)cn3)C2=O)cc1 2356167967 KITYADJGXBEPJI-JOCHJYFZSA-N 349.478 3.860 0 50 EHAA Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 44310 BJNJFJGRQZGYAS-ZDUSSCGKSA-N 328.799 3.640 0 50 EHAA Cc1ccccc1N1C(=O)C(Cl)=C(Nc2ccc(F)cc2)C1=O 121763 JMRZFTRZFZYUJD-UHFFFAOYSA-N 330.746 3.570 0 50 EHAA Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1 209870 ARSGBHLXHQNDKF-UHFFFAOYSA-N 327.384 3.596 0 50 EHAA O=C1C[C@H](c2ccccc2)CN1C(=O)c1ccccc1Br 1177594 XLZPQGXPWAMSJQ-ZDUSSCGKSA-N 344.208 3.605 0 50 EHAA COc1ccc(OCC(=O)c2ccc(O)cc2O)c(C(C)(C)C)c1 1792414 NVGPGIMPTXNKJI-UHFFFAOYSA-N 330.380 3.666 0 50 EHAA COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2C=O)cc1OC 2558252 CUNGKZHYSMLVCT-UHFFFAOYSA-N 340.354 3.567 0 50 EHAA COC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)c(C)c3)nc12 2782427 VFKKHCCLWVUIFH-UHFFFAOYSA-N 331.322 3.737 0 50 EHAA Cc1c(Cl)cccc1N1CCN(C(=O)N2CCCCCC2)CC1 4661315 YXPNGEFSYFQHQF-UHFFFAOYSA-N 335.879 3.766 0 50 EHAA CSc1ccccc1NC(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 5029702 DSQLHFMOBZMBNO-OAHLLOKOSA-N 330.384 3.679 0 50 EHAA CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 5041914 LFZPCWAVNFNRCW-AWEZNQCLSA-N 341.407 3.989 0 50 EHAA c1ccc(COc2ccc(-c3noc(-c4cnccn4)n3)cc2)cc1 6697644 AXFMNDSXNGZMSE-UHFFFAOYSA-N 330.347 3.773 0 50 EHAA O=C(Nc1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1 6715241 AUXVZPJBBZRTDG-UHFFFAOYSA-N 333.794 3.833 0 50 EHAA Cc1ccccc1-c1cnnc(NCC2(N(C)C)CCCCC2)n1 11844598 NMFKPJBYAKBBLX-UHFFFAOYSA-N 325.460 3.523 0 50 EHAA Cc1cccnc1-c1cccc2c1O[C@@H](CNC(=O)/C=C/C(C)C)C2 12152794 BAWFULLAZBZKAW-OAGJVSPASA-N 336.435 3.689 0 50 EHAA OC[C@@]1(CCOc2ccccc2)CCCN(CCCC(F)(F)F)C1 12315968 DGJVCCKQJFWQPN-QGZVFWFLSA-N 345.405 3.873 0 50 EHAA Cc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1ccc(Cl)cc1 12389300 ZIPKFVYJZZPVMM-UHFFFAOYSA-N 344.802 3.627 0 50 EHAA O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Nc1c(Cl)cc(Cl)cc1Cl 13396745 HUIRZEJIHWKXDZ-IUCAKERBSA-N 345.613 3.925 0 50 EHAA CCOC(=O)c1sc(NC(=O)CC(C)C)nc1-c1ccccc1 16603471 JTZWVOFLXFSXJT-UHFFFAOYSA-N 332.425 3.971 0 50 EHAA CCC(C)(C)c1nnc(NC(=O)N(C)[C@H](C)c2ccccn2)s1 20513683 WTDTXWPELQBHCB-LLVKDONJSA-N 333.461 3.846 0 50 EHAA COc1ccc(C)cc1NC(=O)N1CCC[C@H]1c1c(C)noc1C 33270568 UCXXKZDCJAXITE-HNNXBMFYSA-N 329.400 3.977 0 50 EHAA CC[C@@H](CO)N(Cc1ccc(F)cc1)Cc1cnc2ccccc2n1 63868514 WYOGZGDXERBGDA-SFHVURJKSA-N 339.414 3.542 0 50 EHAA CC(C)n1cnnc1[C@H](C)NC(=O)C1(c2ccc(Cl)cc2)CCC1 67605589 GVYVYHVLQVXBCC-ZDUSSCGKSA-N 346.862 3.812 0 50 EHAA CC(C)c1nc(-c2cc(-c3ccccc3O)n[nH]2)n(-c2ccccn2)n1 67694736 NWYVYMZMPUHFJR-UHFFFAOYSA-N 346.394 3.548 0 50 EHAA CCc1[nH]c2c(CNC(=O)[C@]3(C)CCCCO3)cc(F)cc2c1C 71747513 HCXCOLRFYAJTOY-IBGZPJMESA-N 332.419 3.753 0 50 EHAA O=C(c1ccc(Cl)cn1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72427185 RTJFFVVGXVSCLT-OAHLLOKOSA-N 344.777 3.728 0 50 EHAA Cc1cc(C(=O)N2CC(c3ccccn3)C2)c2ccc(C)c(C)c2n1 77302369 DMFQYSXBOZAXEK-UHFFFAOYSA-N 331.419 3.795 0 50 EHAA Cc1ncc(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)s1 77408181 ZNVSWLHVTDENBE-KRWDZBQOSA-N 343.496 3.881 0 50 EHAA CSc1ccccc1C(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1 91871943 MPBJFHTYQLAENA-KRWDZBQOSA-N 341.476 3.606 0 50 EHAA O=C(c1cnc(-c2ccc3c(c2)CCO3)s1)N1CCc2ccccc21 124000737 LXBHAYLGTYUCDI-UHFFFAOYSA-N 348.427 3.948 0 50 EHAA CCOC(=O)c1nc(COC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cs1 129773277 ZVMZCPOPYZGTHN-QWHCGFSZSA-N 337.441 3.601 0 50 EHAA O=C(NCC1([C@H](O)c2ccccc2)CC1)c1ccc(F)cc1Cl 155811378 DPIZYBKFTLAVNQ-MRXNPFEDSA-N 333.790 3.723 0 50 EHAA CCC(CC)C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C 156411435 CKOSIZHYQMQWNB-UHFFFAOYSA-N 334.485 3.559 0 50 EHAA C[C@H](N)[C@H]1CCCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 156526556 QIJMIDFRCWLTAA-JQWIXIFHSA-N 349.327 3.963 0 50 EHAA O=C(N[C@H]1CCOC2(CCCC2)C1)c1ccc2ccccc2c1O 159800477 RWOMJZVTVHBQKT-HNNXBMFYSA-N 325.408 3.767 0 50 EHAA O=C1CS[C@H](c2ccccc2)N1CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 169295355 CRUUIYIDIZATLS-ACBSNCQGSA-N 343.492 3.592 0 50 EHAA CC(C)n1cc(C(=O)Nc2ccc3[nH]cnc3c2)c2ccccc2c1=O 170625425 RWTHWTVCKRHQDA-UHFFFAOYSA-N 346.390 3.711 0 50 EHAA CCSc1cccc(NC(=O)c2cc(Cn3cc(C)cn3)on2)c1 178922063 AFDPLNMSFOPIKY-UHFFFAOYSA-N 342.424 3.592 0 50 EHAA CCCC1CCC(N(C(=O)c2cnc3c(c2)nnn3C)C(C)C)CC1 183771796 UPLXPFHVAZLHMR-UHFFFAOYSA-N 343.475 3.573 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)c2c1 219557096 BKONPUXYVRIFDO-PMACEKPBSA-N 338.451 3.889 0 50 EHAA O=C(Nc1cccc(Cl)c1Br)N[C@@H]1CCC[C@@H](O)C1 225405205 DMVXWEMDIBWTEE-RKDXNWHRSA-N 347.640 3.528 0 50 EHAA O=C([C@H]1CCCC[C@@H]1c1nc(-c2ccc(F)cc2)no1)N1CCCC1 225506916 LEEHRLJFAPFMEF-HOTGVXAUSA-N 343.402 3.772 0 50 EHAA CCCOc1ccc(CNC(=O)N2CCC[C@H](COCC)C2)c(C)c1 242317041 YWVKBEUOMUNKDR-KRWDZBQOSA-N 348.487 3.742 0 50 EHAA Cn1nc([C@@H]2CCCO2)cc1NC(=O)N1CCC[C@H]1C1CCCCC1 253433401 WLAHKBZPZVHVRJ-IRXDYDNUSA-N 346.475 3.848 0 50 EHAA Cc1ccccc1C1CC(N(C(=O)[C@@H]2CC23CCNCC3)C2CC2)C1 261987002 XLNCOCNKPXVFDM-NLPFYKDJSA-N 338.495 3.622 0 50 EHAA O=C(NCc1cccc(CN2CCCC2)c1)[C@H]1CCCC(F)(F)C1 282779103 VMSYRVRFYAUACL-KRWDZBQOSA-N 336.426 3.724 0 50 EHAA CC(=O)OCCCc1cccc(N[C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 289550646 GFYINKPUALBDNZ-HZPDHXFCSA-N 345.361 3.704 0 50 EHAA CSc1ccccc1N1C(=O)CN(Cc2ccsc2)C[C@H]1C 299760685 JHJSPHHHNCEFQA-CYBMUJFWSA-N 332.494 3.707 0 50 EHAA O=C(C[C@H](c1ccccc1)c1ccccc1F)N[C@H]1CC[C@H](O)CC1 299872923 IPOCANQTOHATEM-ZHALLVOQSA-N 341.426 3.767 0 50 EHAA COc1cccc(Cl)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 356911362 LGZIXEIXRAXYJX-BPLDGKMQSA-N 337.847 3.504 0 50 EHAA O=C(c1ccnc(O)c1)N1CCC[C@]2(CCCCc3ccccc32)C1 370496331 NNCMSSXIIWFYAG-OAQYLSRUSA-N 336.435 3.688 0 50 EHAA Cc1cc(O)ncc1C(=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 378495284 YCNKTBDPUGKNIR-CQSZACIVSA-N 328.387 3.645 0 50 EHAA Cc1ccc(Cl)cc1C(=O)N[C@H](CCC(=O)O)Cc1ccccc1 439920833 HEUVGVAESSBEHK-MRXNPFEDSA-N 345.826 3.854 0 50 EHAA Cc1ccc([C@H](N[C@H](C)CCO)c2cncc(Br)c2)cc1 863984498 VWEZXIBJWQHZOC-DYVFJYSZSA-N 349.272 3.602 0 50 EHAA Cc1csc(C[C@@H]2CCN(C(=O)c3ccc4oc(C)nc4c3)C2)n1 886224664 FBEBCNMDBXKMSR-ZDUSSCGKSA-N 341.436 3.606 0 50 EHAA Cc1n[nH]cc1C1CCN(c2ccc3cc(Cl)cnc3n2)CC1 893735741 SUTGXFNDOISFLJ-UHFFFAOYSA-N 327.819 3.699 0 50 EHAA CCC(=O)Nc1cc(NC(=O)[C@@H](C)N2CCCCCC2)ccc1C 952990725 SQUNDLKYXUGOBM-OAHLLOKOSA-N 331.460 3.547 0 50 EHAA CN(C)[C@H](CC(=O)NCc1cccc(C(F)F)c1)c1ccccc1 1325297990 RDSMZYQUNDVHMC-QGZVFWFLSA-N 332.394 3.933 0 50 EHAA C[C@@H]1[C@H](NC(=O)c2ccccc2Cl)CCCN1Cc1ccccn1 1875302962 PJCYKCPYWLAZQP-RDTXWAMCSA-N 343.858 3.518 0 50 EHAA COc1ccc2c(c1)CC[C@@H]1[C@H]2OCCN1C(=O)C1(F)CCCCC1 1875326897 KBYQOUWHBRWERL-MSOLQXFVSA-N 347.430 3.582 0 50 EHAA Oc1ncncc1-c1noc(-c2c(C(F)(F)F)oc3ccccc23)n1 1875328256 IIJUUBTWZUHQDX-UHFFFAOYSA-N 348.240 3.664 0 50 EHAA O=C(c1csc2nccn12)N1C[C@H]2CCCC[C@@]21c1ccccc1 1875336421 ZPZQBCHGSLMDBV-DNVCBOLYSA-N 337.448 3.937 0 50 EHAA Cc1oc(C(C)(C)C)cc1CN1C[C@@H](Cn2cnnc2)C2(CCC2)C1 1875404398 HSDHXKGMWDPGLV-KRWDZBQOSA-N 342.487 3.779 0 50 EHAA Cc1cc(OCc2cnc(C(C)(C)C)nc2)cc2c1NC(=O)CC2 2325772456 YJSOWANHXYFEOA-UHFFFAOYSA-N 325.412 3.546 0 50 EHAA CSc1ccsc1C(=O)N1CCC[C@H]2c3[nH]c(C)nc3CC[C@H]21 2325781833 RZQMQIFXZVOOFV-DGCLKSJQSA-N 347.509 3.836 0 50 EHAA O=C(NCc1cc2cc(F)ccc2[nH]1)c1ccc([C@H]2CCCN2)s1 2325814088 RRWHCFZJPNWLNS-OAHLLOKOSA-N 343.427 3.723 0 50 EHAA Cc1ccc(-n2ccc(C(=O)Nc3cc(C)cc(CN(C)C)c3)n2)cc1 2325872028 FNKXCWAVFXRFDZ-UHFFFAOYSA-N 348.450 3.803 0 50 EHAA COc1ccc(/C=C2/N=C(c3ccc(F)cc3F)OC2=O)cc1C 2332237357 AJROZGWTWUYGAG-OVCLIPMQSA-N 329.302 3.626 0 50 EHAA COc1ccc(-c2ncccc2CN2CCC[C@H](OC)C2)cc1F 2356169757 YOYGHXCTXLZOKH-INIZCTEOSA-N 330.403 3.507 0 50 EHAA O=C(COc1ccc2ccccc2c1Br)N1CCCC1 87054 KSLGBKJDIOHFHM-UHFFFAOYSA-N 334.213 3.604 0 50 EHAA O=C(Nc1ccc(Cl)cc1)c1ccccc1C(=O)c1ncc[nH]1 299517 VXRBUMXGTPIIKP-UHFFFAOYSA-N 325.755 3.546 0 50 EHAA COc1ccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 348915 KXDQOROQPUPXOT-UHFFFAOYSA-N 333.387 3.570 0 50 EHAA CCN(CC)CCCCOc1ccc(I)cc1 2880569 YBEUSIHAGMVGLY-UHFFFAOYSA-N 347.240 3.792 0 50 EHAA CCOC(=O)C(CCCCOc1ccccc1Cl)C(=O)OCC 2880598 XMRDWQISGVQIRP-UHFFFAOYSA-N 342.819 3.632 0 50 EHAA O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccccc1 2967778 FATIAOIGJIMOAN-UHFFFAOYSA-N 334.371 3.934 0 50 EHAA O=C([C@@H]1CCCN(CCCc2ccccc2)C1)N1CCCCCC1 4745281 NZRUILYHRIXQRG-HXUWFJFHSA-N 328.500 3.734 0 50 EHAA CC(C)COc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 4840995 KWMZSOSFYLSWAD-UHFFFAOYSA-N 332.488 3.760 0 50 EHAA CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2ccccc2)CC1 7495633 UKOFXGJBUAKNCL-HXUWFJFHSA-N 338.451 3.501 0 50 EHAA c1ccc(N[C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)cc1 12200715 LBIXRKJANFFQLP-LJQANCHMSA-N 332.451 3.949 0 50 EHAA O=C(c1ccc(Cl)s1)N1CCN(C/C=C/c2ccccc2)CC1 20472574 RWGBEUHVDZKUJP-QPJJXVBHSA-N 346.883 3.873 0 50 EHAA CC[C@H](COC)Nc1ccc(-c2nc(Cc3ccccc3)no2)cn1 20599747 MLHSDLDPVWTEES-MRXNPFEDSA-N 338.411 3.559 0 50 EHAA O[C@H](COCc1ccccc1)CSc1nc2ccccc2s1 23115189 OZKXBTCQDCKTAJ-CQSZACIVSA-N 331.462 3.966 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccn3)[nH]n2)s1 72432624 OLNXGPRZQBQHAJ-INIZCTEOSA-N 338.436 3.819 0 50 EHAA CC(C)c1cc([C@H]2CCCN2Cc2cc(=O)c3ccccc3[nH]2)no1 91663845 CJMKDEMEESHCKJ-GOSISDBHSA-N 337.423 3.977 0 50 EHAA O=C(c1ccc2nonc2c1)N1CCCC[C@H]1CCc1cccs1 92081915 GLNOKPQQBNXDNS-AWEZNQCLSA-N 341.436 3.912 0 50 EHAA O=C1NC2(CCN(C/C=C/c3ccccc3)CC2)C[C@@H]1c1ccccc1 95390165 LWGVGEMVRQOLEP-TYOLEZHBSA-N 346.474 3.838 0 50 EHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(CO)o2)ccc1F 102402389 VGWMQWQVUJKYHN-MUJYYYPQSA-N 343.398 3.770 0 50 EHAA Cc1c(C(=O)N[C@H](c2ccccc2)c2ccncc2)cnn1CC(C)C 119405641 YSTFSDSLPIYRRS-HXUWFJFHSA-N 348.450 3.762 0 50 EHAA Cc1cc([C@@H](C)NC(=O)N2CCO[C@H](c3ccco3)C2)c(C)s1 119411342 NENQGCWBAARRDP-WBMJQRKESA-N 334.441 3.802 0 50 EHAA Cc1nnc(CN[C@@H](Cc2ccccc2Cl)c2ccccc2)n1C 132816662 QZQMIMUMZPQSOY-SFHVURJKSA-N 340.858 3.851 0 50 EHAA CNC[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)C1 178992376 QLLDHTNAVWIATG-AWEZNQCLSA-N 344.405 3.622 0 50 EHAA COc1cccc2c1CCN([C@@H](C)c1nc(Cc3ccccc3)no1)C2 182666015 IBSKCWLFKKOIQW-HNNXBMFYSA-N 349.434 3.788 0 50 EHAA COc1ccc2c(c1)[C@@H](NCc1cccc(C(N)=O)c1)CCCS2 187726000 VNTDKQMCALMLAG-KRWDZBQOSA-N 342.464 3.511 0 50 EHAA COc1cccc2c1CC[C@H]2NC(=O)c1c[nH]nc1-c1ccsc1 188495578 VCPCRHIZNVDUTE-OAHLLOKOSA-N 339.420 3.564 0 50 EHAA Cc1ccc(Cn2cccc(NC(=O)C[C@H]3C=CCCC3)c2=O)cc1 188823628 VQGVOGXVBBOBTL-KRWDZBQOSA-N 336.435 3.890 0 50 EHAA Fc1ccc2c(c1)[C@@H](NCc1c[nH]nc1-c1ccccc1F)CCO2 189583665 NZZNYDASQQRVIX-KRWDZBQOSA-N 341.361 3.968 0 50 EHAA CC[C@@H](NC(=O)N1CCC(c2ccncc2)CC1)c1c(C)noc1C 190620752 MKNHFYOGIBWAKF-QGZVFWFLSA-N 342.443 3.727 0 50 EHAA CCc1c(NCc2ncc(Cl)n2C)cnn1-c1ccccc1C 192691107 QFAHGDUYZSEQGK-UHFFFAOYSA-N 329.835 3.742 0 50 EHAA CCOC(=O)CC[C@H](C)Sc1nnc(Cc2cccc(F)c2)o1 225794802 PQBRFVQPRHUQRM-NSHDSACASA-N 338.404 3.623 0 50 EHAA Cc1nc(CNC(=O)Nc2cccc3c2OC(C)(C)C3)sc1C 239782550 CPCCPYCJZNUCQY-UHFFFAOYSA-N 331.441 3.795 0 50 EHAA COc1ccsc1C(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 273310102 OXAAVWFOYXGWDV-GDBMZVCRSA-N 349.427 3.888 0 50 EHAA Cn1cncc1[C@@H]1C[C@H](NCc2cc3ccccc3s2)CCO1 275695844 XFDMSAUQYQKYIT-PBHICJAKSA-N 327.453 3.645 0 50 EHAA Cc1noc(C)c1C(C)(C)C(=O)NCCc1c(C)[nH]c2ccccc12 280551703 MXEYKIZCNVUOAK-UHFFFAOYSA-N 339.439 3.718 0 50 EHAA CC(C)n1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)n1 280601005 WSTCLYRTHZCIQR-DLBZAZTESA-N 342.443 3.584 0 50 EHAA O=C1OC2(CCCC2)C(=O)N1Cc1ncc(-c2cccc(Cl)c2)o1 289686738 HWQSDVYHAPTYNY-UHFFFAOYSA-N 346.770 3.787 0 50 EHAA O=C(O)C[C@H]1CCCN(Cc2ccccc2OCC(F)(F)F)CC1 299745772 SHFZWCYCIXPJJZ-ZDUSSCGKSA-N 345.361 3.705 0 50 EHAA O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)Nc1ccccc1 304313097 RGCDNLRMEAAXGO-CYBMUJFWSA-N 325.195 3.849 0 50 EHAA C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@H](c2ccccc2)C1 333999599 QLJASGWHWLKFGV-WFEDQXDTSA-N 337.467 3.603 0 50 EHAA C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N(C)c2ccc(Cl)nn2)o1 366200865 ZDDKACLMLHCQSS-NOOOWODRSA-N 331.803 3.613 0 50 EHAA CN(C)C(=O)c1ccc(N[C@H]2CC(C)(C)Oc3cc(F)ccc32)nc1 370646621 XFPFCGSDWAHCOS-HNNXBMFYSA-N 343.402 3.637 0 50 EHAA COCCc1ccc(OCc2ccccc2-c2nc(C)n(C)n2)cc1 426473614 OEGYDHQAOZWZFG-UHFFFAOYSA-N 337.423 3.558 0 50 EHAA COc1ccc([C@H](NC(=O)N2CCCCCC2)c2ccncc2)cc1 426493196 NXTKOUJZAGNVRF-IBGZPJMESA-N 339.439 3.765 0 50 EHAA COc1ccc2[nH]c(CNC(=O)c3ccc(CSC)o3)cc2c1 670437007 GMORTGXAFGTNKF-UHFFFAOYSA-N 330.409 3.563 0 50 EHAA CCCC[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)c1cccnc1 670461965 DHURBOANODNAGC-MRXNPFEDSA-N 336.439 3.938 0 50 EHAA CC(C)(C)c1ccc(C(=O)Nc2cccnc2N2CCOCC2)s1 675629446 NXDYQTIKWMDXTC-UHFFFAOYSA-N 345.468 3.530 0 50 EHAA O=C(NC[C@H]1[C@H](c2ccccc2)C1(F)F)c1coc(C2CCC2)n1 831885790 AGVKCAFZOODBMZ-ZFWWWQNUSA-N 332.350 3.721 0 50 EHAA COc1nn(C)cc1C(=O)Nc1ccccc1SC1CCCC1 883956768 ASMPJRRGNXFDNZ-UHFFFAOYSA-N 331.441 3.716 0 50 EHAA COc1cc(C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)ncn1 935335277 OREKATZWKJLSQO-MYSGNRETSA-N 343.452 3.645 0 50 EHAA C[C@H]1CCCN(c2ccc(Cl)cc2NC(=O)C2(N)CCCC2)C1 952980242 WLHOFWIDDKDPRQ-ZDUSSCGKSA-N 335.879 3.786 0 50 EHAA Cc1ccc(-c2nccn2C[C@@H](CO)Cc2ccco2)c2cccnc12 1857674689 UAGWTXWFGGROFB-INIZCTEOSA-N 347.418 3.851 0 50 EHAA CC[C@@H](c1ccncc1)n1ccnc1-c1cnn2c(C)cc(C)nc12 1857694723 IRLDRSQVVRTCLZ-KRWDZBQOSA-N 332.411 3.604 0 50 EHAA CC(C)=CCCN1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857695202 ZLQCEMPSPZQRDF-FQEVSTJZSA-N 327.472 3.696 0 50 EHAA O=C(Nc1cccc(-n2nccn2)c1)c1ccc(-c2ccncc2)cc1 1875338922 QLTAYPSFMLFXHB-UHFFFAOYSA-N 341.374 3.582 0 50 EHAA CC[C@H]1NCC[C@H]1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2325735409 NPYDJJJAKJYAEY-UKRRQHHQSA-N 349.887 3.714 0 50 EHAA O=C(NC[C@]12CCCN[C@@H]1CCC2)c1ccc2ncccc2c1Cl 2325779249 SARQSKLSNXTOIN-APWZRJJASA-N 343.858 3.540 0 50 EHAA CC[C@@H]1CCc2sc(C(=O)N3[C@@H](C(=O)O)CCC3(C)C)cc2C1 2325791148 ZBNTZAYLPJSKMY-DGCLKSJQSA-N 335.469 3.731 0 50 EHAA CN(CC1=Cc2ccccc2OC1)Cc1cc(-c2ccccc2)n[nH]1 2325859778 KBIIMZGALLEQTK-UHFFFAOYSA-N 331.419 3.985 0 50 EHAA COc1ccc(-c2cc(-c3nccn3C[C@H](C)OC)ccn2)cc1F 2356136213 KSGGSCGVSBIWAP-ZDUSSCGKSA-N 341.386 3.795 0 50 EHAA CCN(CC)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 93883 FQJWHCSUQVYUFC-UHFFFAOYSA-N 336.391 3.892 0 50 EHAA CCCn1c([C@H](O)c2ccc(OC)c(OC)c2)nc2ccccc21 198068 AMKXEOBKCZJISJ-GOSISDBHSA-N 326.396 3.545 0 50 EHAA CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 618659 ITXUEYLTGAOXHC-UHFFFAOYSA-N 331.375 3.987 0 50 EHAA CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1 2183426 NZQDIZLTOXEKBJ-UHFFFAOYSA-N 347.488 3.603 0 50 EHAA CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2)c1 2824270 QSERNBUEXBVETQ-UHFFFAOYSA-N 328.437 3.911 0 50 EHAA COc1cccc(NC(=O)NC(=O)/C=C/c2ccc(Cl)cc2)c1 3106180 GOUFKQVPUNGYHB-JXMROGBWSA-N 330.771 3.710 0 50 EHAA O=C(Nc1ccccc1F)N1CCN(c2ccccc2Cl)CC1 6714608 KTLFCGPWWGUINP-UHFFFAOYSA-N 333.794 3.833 0 50 EHAA CCn1c(SCCOc2ccccc2)nnc1-c1ccccc1O 8391760 DIFKDHTUKFUMRG-UHFFFAOYSA-N 341.436 3.842 0 50 EHAA COc1ccc([C@H](CC(=O)NCc2ccncc2)c2ccccc2)cc1 11933693 HMWDZAKWRBCCOT-OAQYLSRUSA-N 346.430 3.929 0 50 EHAA CCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2CC 16652341 QUMAYBDSWCUVFQ-UHFFFAOYSA-N 328.460 3.781 0 50 EHAA Cc1nn(C)c(Cl)c1CN1CCC[C@@H](c2[nH]ncc2CC(C)C)C1 19595208 WOQPIIMKOOVXHG-CQSZACIVSA-N 349.910 3.683 0 50 EHAA C[C@@H]1[C@H]2CCCN2CCN1Cc1ccc(OCc2ccccc2)cc1 22078368 FUTZHFNMNGFUOM-XMSQKQJNSA-N 336.479 3.934 0 50 EHAA Cc1cc(NCc2cc(-c3ccccn3)no2)nc(-c2cccnc2)n1 65454536 OSDSQKHDKMEJEX-UHFFFAOYSA-N 344.378 3.509 0 50 EHAA C[C@H](c1ccco1)N(C)Cc1cccc(C(=O)Nc2ncns2)c1 67676659 LKWRPEGALAIBQQ-GFCCVEGCSA-N 342.424 3.576 0 50 EHAA c1ccc(-c2nc(-c3nc(C4CC4)nn3-c3ccccn3)c[nH]2)cc1 67908477 CZMRAHWZAGKIKA-UHFFFAOYSA-N 328.379 3.597 0 50 EHAA Cc1cc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](O4)[C@H]3C2)sc1-c1ccccc1 71746352 AEHFULUCVCIOCO-ZYGGUILKSA-N 339.460 3.973 0 50 EHAA CCc1oc(-c2nn3c(C4CC4)nnc3s2)cc1CN(CC)CC 71751039 XYSYTIBNEDGSNK-UHFFFAOYSA-N 345.472 3.727 0 50 EHAA COc1ccc2cc([C@@H]3CN(CCCCCCO)CCO3)ccc2c1 71752483 BWSGUMRVGRVVNC-NRFANRHFSA-N 343.467 3.774 0 50 EHAA O[C@H]1Cc2ccccc2C12CCN(Cc1ccc3[nH]ccc3c1)CC2 72145048 MUMZXJLSIQNACJ-NRFANRHFSA-N 332.447 3.619 0 50 EHAA C[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1ccc(O)cc1 72418190 VTRZABJSOYFTPJ-CQSZACIVSA-N 327.424 3.587 0 50 EHAA CC[C@@H]1c2cccn2CCN1C(=O)c1cc(-c2ccsc2)n[nH]1 77472221 QVXSTMIZWZIWEW-OAHLLOKOSA-N 326.425 3.547 0 50 EHAA O=C(Cc1ccsc1)N1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 77489147 JFXXVKWBLCAQJZ-AWEZNQCLSA-N 339.464 3.648 0 50 EHAA COc1ncc(-c2ccc([C@H](C)N3CCCCC3)cc2)c(OC)n1 96161797 FOGHGDKDJQFJJI-AWEZNQCLSA-N 327.428 3.708 0 50 EHAA BrC(Br)(Br)c1ccccc1 113264908 MVDRXYIEGOGRAI-UHFFFAOYSA-N 328.829 3.982 0 50 EHAA C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2ccccc2)ns1 117614739 VDYFTGYZTVSCDM-IAQYHMDHSA-N 337.404 3.708 0 50 EHAA Cc1n[nH]c(C(C)C)c1C(=O)NCCc1csc(C(C)(C)C)n1 130757238 MSXXRPXKHUVORC-UHFFFAOYSA-N 334.489 3.568 0 50 EHAA Cn1c(CN[C@@H]2CCCSC2)nc2cc(C(F)(F)F)ccc21 150970581 MCSOOFWZKURKJG-LLVKDONJSA-N 329.391 3.577 0 50 EHAA CNC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 179001314 OUEUOMIYXLGFBR-AWEZNQCLSA-N 328.843 3.689 0 50 EHAA Cc1ccccc1CN(Cc1cccnc1)C(=O)[C@H]1CCCO[C@H]1C 189929226 HSDJAQPZXJUASD-PXNSSMCTSA-N 338.451 3.734 0 50 EHAA Cc1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 195530054 HSQXJINNYHOKAH-JMJZKYOTSA-N 335.395 3.933 0 50 EHAA Cc1noc(C)c1C(=O)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 215767931 DCAJHQYFAVRMCP-OAHLLOKOSA-N 342.374 3.674 0 50 EHAA CCCNc1ncc(CN2CCCC[C@@H]2c2nc(C(C)C)no2)cn1 216329989 AUJOQPZDPDLYST-OAHLLOKOSA-N 344.463 3.532 0 50 EHAA O=C(NC1C[C@@H]2CC[C@H](C1)N2)c1ccc(-c2ccc(F)cc2)s1 237922447 XWKCISHYLZXFBO-YIONKMFJSA-N 330.428 3.567 0 50 EHAA N[C@H](c1ccc(F)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 255189730 RRHNVMWEAARHCT-LJQANCHMSA-N 342.414 3.874 0 50 EHAA C[C@@H](C(=O)NC1CCC(C(=O)O)CC1)c1ccc(Cl)c(Cl)c1 261960202 ANAOCCIPYXJLQC-GRZMOONWSA-N 344.238 3.857 0 50 EHAA CCOC1CC2(CCN(C(=O)NCCc3cc4ccccc4o3)C2)C1 287540866 TYKAHLKPJCYOBN-UHFFFAOYSA-N 342.439 3.576 0 50 EHAA COCc1nc(CNC(=O)N[C@H](C)c2ccc(Cl)cc2)cs1 290944896 CEJBDPNAZWKWQL-SNVBAGLBSA-N 339.848 3.503 0 50 EHAA Cn1c(-c2cccc(Cl)c2)cn(CC(=O)c2ccccc2)c1=N 334157528 GSEJDAXPFGNCAV-UHFFFAOYSA-N 325.799 3.509 0 50 EHAA Cc1cc(CN2CCC[C@H](c3nc[nH]n3)C2)ccc1Oc1cccnc1 377245130 NEPSTQKVYXPCCY-KRWDZBQOSA-N 349.438 3.680 0 50 EHAA C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CCc1ccccn1 408522620 KQFFFSJQTQKNBL-LBPRGKRZSA-N 342.830 3.764 0 50 EHAA CCn1cc(CN(C)C(=O)c2ccc(-c3ccncc3C)cc2)c(C)n1 426615485 MHSFKHWLBYGABI-UHFFFAOYSA-N 348.450 3.854 0 50 EHAA CCC[C@H](OC)C(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 450990966 VTCOKZUUCQOIKX-INIZCTEOSA-N 330.428 3.657 0 50 EHAA O=C(O)C1CCC(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)CC1 684771932 QYVSPQCQTLMETO-HTWSVDAQSA-N 347.430 3.640 0 50 EHAA CC(C)c1nc([C@H]2CCCCN2C(=O)Nc2cncc(Cl)c2)n[nH]1 932126857 UNOVOEOHURJXIR-CYBMUJFWSA-N 348.838 3.736 0 50 EHAA CCOC(C)(C)C(=O)Nc1cc(NC(=O)C2CCCC2)ccc1C 952982494 AFEBIUDWBLIGNS-UHFFFAOYSA-N 332.444 3.877 0 50 EHAA Cc1nn(C)c(C)c1NC(=O)N[C@H](Cc1ccccc1)c1ccccn1 1347695011 PCCUEBHFMDMYME-GOSISDBHSA-N 349.438 3.537 0 50 EHAA Cc1c[nH]c(-c2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc2)n1 1469599243 UOSQCRDISKROAJ-UHFFFAOYSA-N 333.351 3.621 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CCc3cccc(Cl)c3)C[C@H]2C1 1529155630 WYNOXVBHLRNQPJ-AMBYYYRHSA-N 348.918 3.850 0 50 EHAA Cc1cccc(F)c1C(=O)N1CCC2(CC1)OCCc1sccc12 1704315794 WFOFGAAYAYDDML-UHFFFAOYSA-N 345.439 3.900 0 50 EHAA CN1CCc2ccccc2[C@H]1CNC(=O)c1ccc(Cl)c(Cl)c1 1772644337 LIYLICKKTYEDQP-QGZVFWFLSA-N 349.261 3.952 0 50 EHAA in-vitro CCc1ccccc1C(=O)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857673654 XDPDUHRSKRNBIK-WPYKKVEZSA-N 349.474 3.847 0 50 EHAA Cn1cc(-c2ccc(C(=O)Nc3conc3-c3ccccc3)o2)cn1 1875362002 LLSKCNSGPAUMOF-UHFFFAOYSA-N 334.335 3.587 0 50 EHAA OC1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2CC1(C(F)(F)F)CC1 2325771825 SMULBDPVZBZWGQ-FKEKPDDDSA-N 325.374 3.844 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)NCC1=NOC(C)(C)C1 2325865011 JDRVRVUALOWBNS-UHFFFAOYSA-N 333.432 3.669 0 50 EHAA COc1ccc2c(c1)C1=C(CC2)[C@@H](c2ccccc2F)NC(=S)N1 108560 LGYWVRDGOVFKGS-QGZVFWFLSA-N 340.423 3.711 0 50 EHAA Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccnc1 182745 TYQNJGXZNGEFHV-UHFFFAOYSA-N 330.347 3.846 0 50 EHAA O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1cccnc1 305161 LTCDONCIONDPET-UHFFFAOYSA-N 345.613 3.737 0 50 EHAA CCN(CC)c1ccc(NC(=O)CSc2ccccn2)cc1C 477316 PPDQXGWWCDKZSF-UHFFFAOYSA-N 329.469 3.967 0 50 EHAA Cc1ccc(C)c(OCc2nnc(NC(=O)c3ccco3)s2)c1 2216864 LOFDQZMDTFNSSX-UHFFFAOYSA-N 329.381 3.579 0 50 EHAA aggregator Cc1ccc(NC(=O)[C@H](C)[C@@H]2Sc3ccccc3NC2=O)c(C)c1 2874614 CVEIIVIHVHUOIJ-DYVFJYSZSA-N 340.448 3.991 0 50 EHAA CCCCOc1ccc(C(=O)CCN[C@@H](C(=O)O)[C@H](C)CC)cc1 2883790 LWUHBOOSZNTMQV-RDTXWAMCSA-N 335.444 3.527 0 50 EHAA CCCC(=O)n1nc(NCc2ccccc2)nc1NCc1ccccc1 4723796 IGEUAUPCLKCDOW-UHFFFAOYSA-N 349.438 3.943 0 50 EHAA CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)c(OCC)c1 6731043 FDHBJMHQFASZFD-UHFFFAOYSA-N 342.395 3.695 0 50 EHAA CCCCN[C@@H]1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1 12203651 VNBBTINCDACJLB-MRXNPFEDSA-N 330.451 3.826 0 50 EHAA CCOC(=O)C1(CCOC)CCN(C/C(C)=C/c2ccccc2)CC1 12387205 ZVRRZLAEUFVCGC-FBMGVBCBSA-N 345.483 3.772 0 50 EHAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1F 14566893 NSBWFGFHTTYOSB-UHFFFAOYSA-N 326.371 3.704 0 50 EHAA COc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)C1CC1)C2 14997982 DHASAYGFJISBEA-UHFFFAOYSA-N 343.448 3.863 0 50 EHAA c1ccc(C(C[C@H]2CN(Cc3ncc[nH]3)CCO2)c2ccccc2)cc1 15063191 XZUGBJKSPPHOPO-FQEVSTJZSA-N 347.462 3.833 0 50 EHAA CCN(CCO)Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 15073226 DVNMTIPBQDNGGE-UHFFFAOYSA-N 349.478 3.970 0 50 EHAA CCOc1cc(CN2CCN([C@@H]3CCC[C@@H](C)C3)CC2)ccc1OC 19831775 DXNPGRXEKLISFW-IEBWSBKVSA-N 346.515 3.790 0 50 EHAA CCOc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1 19850833 QGDLKVOWJFPCBS-UHFFFAOYSA-N 338.495 3.836 0 50 EHAA CN(CCc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 20781633 SJKRNMBNNNMMAG-IBGZPJMESA-N 348.494 3.702 0 50 EHAA Cc1cccc(-n2cc(-c3ccnc(NC[C@@H]4CCCCO4)n3)cn2)c1 23399606 YPNTXTACTXRELK-SFHVURJKSA-N 349.438 3.619 0 50 EHAA c1ccc2c(NC3CC3)nc(Nc3ccc4c(c3)OCCO4)nc2c1 41149693 BBQXLDODWIRQHQ-UHFFFAOYSA-N 334.379 3.719 0 50 EHAA Cc1cc(C)c(C)c(C(=O)NCCSCc2[nH]cnc2C)c1C 63869863 RDLBFFRSAIJULQ-UHFFFAOYSA-N 331.485 3.615 0 50 EHAA COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3C2CCCCC2)cn1 65408710 JNAZEOAXYRGYAT-HNNXBMFYSA-N 340.427 3.574 0 50 EHAA CCCc1nccn1Cc1nc(-c2cc(OC)ccc2F)oc1C 67847291 KDOWFIDNRRLBIR-UHFFFAOYSA-N 329.375 3.995 0 50 EHAA O=C(O)[C@]1(C/C=C/c2ccccc2)CCCN(c2ncccc2F)C1 71403948 QRESSYFZCAOLTK-CWFIWJMMSA-N 340.398 3.995 0 50 EHAA COCCN(Cc1ccc(C)s1)C(=O)c1cnc2c(c1)CCCC2 97413304 NXVNMSGHBSOKCD-UHFFFAOYSA-N 344.480 3.619 0 50 EHAA CC1CCN(C2CCC(NC(=O)c3cc4ccccn4c3)CC2)CC1 128678865 ZVGVBFDEKMNHQQ-UHFFFAOYSA-N 339.483 3.712 0 50 EHAA CSCC[C@@H](NCc1cccc(-c2ccc(C)cc2)c1)C(=O)O 170612818 JSMZWHWZKUYAAZ-GOSISDBHSA-N 329.465 3.958 0 50 EHAA Cc1nnc(CC(=O)NC2(c3ccc(C(C)(C)C)cc3)CCCC2)o1 179195630 AYLLXRROIJMGMF-UHFFFAOYSA-N 341.455 3.804 0 50 EHAA CN(Cc1ccc(-n2cccn2)cc1)C(=O)[C@H]1C[C@@H]1c1ccccc1 211952766 HBHIVEGZOITWKE-UXHICEINSA-N 331.419 3.634 0 50 EHAA O=C([C@@H]1CCCC[C@@H]1c1nc(-c2ccc(F)cc2)no1)N1CCCC1 225506982 LEEHRLJFAPFMEF-JKSUJKDBSA-N 343.402 3.772 0 50 EHAA CCCC(=O)N1CCC[C@H](C(=O)O[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 239475404 AOBBONYGRHHJMK-VSZNYVQBSA-N 335.488 3.927 0 50 EHAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)CCc1c[nH]c3ccccc13)CC2 240540839 GPPKUFXHPOQFFM-ROUUACIJSA-N 339.483 3.574 0 50 EHAA C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H]1C 252474367 BWXJNQRNSROICM-WCVJEAGWSA-N 338.492 3.574 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C 257345931 NFVCQZNBRFPYOP-LYNJUAAJSA-N 334.500 3.566 0 50 EHAA Cc1csc(CCCC(=O)N2CCCC[C@H]2c2cccn2C)n1 283531564 SYFVKLJIJDTLAV-INIZCTEOSA-N 331.485 3.867 0 50 EHAA Cc1noc2ncc(C(=O)N[C@H]3CC[C@@H](c4ccc(F)cc4)C3)cc12 332944327 WKXDRNWUPOFMDL-CJNGLKHVSA-N 339.370 3.736 0 50 EHAA Cc1cccc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)c1O 333084603 RFSSJJUSLXTZPQ-UHFFFAOYSA-N 349.434 3.672 0 50 EHAA C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3n[nH]cc3C2)C[C@@H](c2ccccc2)C1 333999598 QLJASGWHWLKFGV-RUENVJTFSA-N 337.467 3.603 0 50 EHAA Cc1nc([C@H]2CCCN2c2cnc3cc(F)c(F)cc3n2)[nH]c1C 895194494 ZEJZYSFUCBELEF-OAHLLOKOSA-N 329.354 3.589 0 50 EHAA CCSc1ccccc1NC(=O)c1cc(C)n2nc(C)cc2n1 952969431 NHFPIKWOFNWQOG-UHFFFAOYSA-N 326.425 3.710 0 50 EHAA CC[C@H](c1cccnc1)N(C)S(=O)(=O)Cc1cccc(Cl)c1 952970436 INACUDPPMJUMPC-MRXNPFEDSA-N 338.860 3.648 0 50 EHAA C[C@H]1CCC(=O)N1c1cccc(NC(=O)CCc2ccccc2F)c1 952982231 WYAZOJFELNSZJU-AWEZNQCLSA-N 340.398 3.912 0 50 EHAA Cc1ccc2cc(CN3CCO[C@H](c4ccccc4)C3)c(O)nc2c1 952987604 OUJOETKXAYOFAS-FQEVSTJZSA-N 334.419 3.822 0 50 EHAA CCCOc1ccc(Nc2cc(CCC)nc3ncnn23)cc1OC 1187224678 PQOKADFZYMAFDV-UHFFFAOYSA-N 341.415 3.618 0 50 EHAA CC(=O)c1cc(CN2CCC[C@@H](COc3ccccc3C)C2)n(C)c1 1506410867 VFBLSAIGAMXPSD-GOSISDBHSA-N 340.467 3.827 0 50 EHAA O=C(/C=C/c1cc(CO)cs1)NC1(c2cccc(Cl)c2)CC1 1506416496 GUJZRAMUVUMYQP-SNAWJCMRSA-N 333.840 3.713 0 50 EHAA Cc1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cccc1-c1nncn1C 1616107968 VELJSPBRTSAELK-SJORKVTESA-N 332.407 3.533 0 50 EHAA O=C(O)[C@H]1C[C@@H](C(=O)N[C@@H](CC(F)(F)F)c2ccc(Cl)cc2)C1 1875278110 ZPBIFMUQOFENCR-UMNHJUIQSA-N 349.736 3.561 0 50 EHAA Cc1ncn(-c2ccc(NC(=O)[C@@H]3CCCc4ncc(C)n43)cc2)c1C 2325804767 OFUBIOSPHQAWOJ-SFHVURJKSA-N 349.438 3.510 0 50 EHAA COc1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)CC2=O)cc1 20525 UGMOFEZUZCRWSE-AWEZNQCLSA-N 329.783 3.505 0 50 EHAA CCN(CC)C(=O)[C@@H]1CCCN(Cc2c(C)[nH]c3ccccc23)C1 202233 RCTGGCWDQBJYOW-MRXNPFEDSA-N 327.472 3.557 0 50 EHAA O=C(Nc1cccc(C(F)(F)F)c1)c1cc(=O)[nH]c2ccccc12 314156 QBYCBYLVSNRKEN-UHFFFAOYSA-N 332.281 3.799 0 50 EHAA biogenic,in-vitro Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 371422 SCJPRGIGTBRGJL-HNNXBMFYSA-N 341.407 3.966 0 50 EHAA O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(F)cc1F 374226 BFOQRQPFADLHBJ-UHFFFAOYSA-N 345.271 3.696 0 50 EHAA COc1ccc(C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 466382 CBZUPICOLQMCNN-UHFFFAOYSA-N 338.359 3.946 0 50 EHAA biogenic O=C(Nc1ccc(Br)cc1)[C@H]1OCCc2ccccc21 529293 DXJBCMJQJGBSDU-HNNXBMFYSA-N 332.197 3.702 0 50 EHAA COC(=O)c1cc(C)sc1NC(=O)Cc1c(F)cccc1Cl 1002823 VRWTZGOPWXMKIK-UHFFFAOYSA-N 341.791 3.817 0 50 EHAA CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OC(C)=O)cc1 1066949 CWKCUMKCBVTDSG-UHFFFAOYSA-N 340.379 3.603 0 50 EHAA C[C@@H]1C[C@]2(C)Oc3ccccc3C[C@@H]2[C@H](C)[C@@H]1CNCCCN(C)C 2139263 LNUAAHAFERZTED-WRVJLHSDSA-N 344.543 3.830 0 50 EHAA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccccc2F)cc1 3623682 UDEISEXEGWSXKW-QGZVFWFLSA-N 345.370 3.560 0 50 EHAA Cn1nc(C(F)(F)F)cc1C(=O)Nc1cccc(C(F)(F)F)c1 4727273 KLLFKBHQOMXPBW-UHFFFAOYSA-N 337.223 3.710 0 50 EHAA CCCCNc1ncc2c(n1)C[C@H](c1ccc(N(C)C)cc1)CC2=O 4741307 ROUWUIRONKTHRW-HNNXBMFYSA-N 338.455 3.667 0 50 EHAA O[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 4827607 RUPWEIHMVFBUON-WOJBJXKFSA-N 329.390 3.552 0 50 EHAA Brc1ccccc1-c1nc(-c2ccc3c(c2)OCO3)no1 6701378 LENVVZALGXPEND-UHFFFAOYSA-N 345.152 3.895 0 50 EHAA COc1cc(C(N)=O)ccc1OCc1ccc(Cl)c(Cl)c1 6701757 CZRDJLSCQRXPHA-UHFFFAOYSA-N 326.179 3.680 0 50 EHAA CCc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1 6715542 BKZIATKUTPZNRZ-UHFFFAOYSA-N 327.403 3.742 0 50 EHAA CCN(CCn1cccn1)Cc1nc(-c2ccc(C)s2)oc1C 11842086 CJMIOCOOKSJJBI-UHFFFAOYSA-N 330.457 3.739 0 50 EHAA O=C(CC[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1)NC1CC1 11999627 BAAWBXBRAJQFTI-ZDUSSCGKSA-N 338.854 3.750 0 50 EHAA CCn1ccnc1CN1CCC(CO)(CCCc2ccccc2)CC1 12307401 ULAJVJYZKJMHMR-UHFFFAOYSA-N 341.499 3.500 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)no1 12836486 XZEOWXWDEMJUFX-GOSISDBHSA-N 348.402 3.871 0 50 EHAA Cc1ccccc1[C@@H](CC(=O)NCCn1cccn1)c1ccccc1 15069282 IVQYWWLWZRCMHM-FQEVSTJZSA-N 333.435 3.530 0 50 EHAA COc1ccc(CN2CC[C@@]3(CCCN(CC4CCC4)C3)C2)cc1 55154508 PMDSZRWYODIVQC-OAQYLSRUSA-N 328.500 3.783 0 50 EHAA CCC(CC)n1nc(C)cc1NC(=O)Cc1cnc2c(C)cccn12 55270280 LPTWJBBQBPFAKC-UHFFFAOYSA-N 339.443 3.690 0 50 EHAA Cc1ccc(CN(C(=O)COc2cccnc2)C2CCCC2)s1 55414665 RVLYZONDEJUVBL-UHFFFAOYSA-N 330.453 3.802 0 50 EHAA CCc1cc([C@@H]2CCCN2C(=O)Nc2ccc(OC)cc2OC)on1 64985166 VWYJUPHKCSYHFZ-HNNXBMFYSA-N 345.399 3.623 0 50 EHAA CCc1ccc(CN2CCN(c3nccc4ccccc34)CC2)nc1 65373283 HCBLSFCHRFFBGU-UHFFFAOYSA-N 332.451 3.514 0 50 EHAA c1ccc(CNc2ncc(-c3nccn3C[C@@H]3CCCCO3)cn2)cc1 71662615 CPFWOIUBLXUVDL-SFHVURJKSA-N 349.438 3.521 0 50 EHAA c1cncc(CNc2cc(-c3ccc4c(c3)OCO4)c3cc[nH]c3n2)c1 72149781 XGQIQRMFMLSKPA-UHFFFAOYSA-N 344.374 3.966 0 50 EHAA COc1ccccc1OC1CN(Cc2ccccc2OC(F)F)C1 72166324 GPHKHLCAIKJGCT-UHFFFAOYSA-N 335.350 3.560 0 50 EHAA O=C(c1ccc(Oc2ccccc2)o1)N1CCC[C@H](c2ncc[nH]2)C1 77320078 DYRQAOANLLDNIG-AWEZNQCLSA-N 337.379 3.815 0 50 EHAA CCC[C@H]1CN(C(=O)c2ccc(-c3ccccc3OC)cc2)C[C@@H]1N 91594778 NRMLXOLKJAQVQV-HKUYNNGSSA-N 338.451 3.562 0 50 EHAA Cc1cc(C)nc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)n1 92001940 BDEOSOYTZOMISB-UHFFFAOYSA-N 341.798 3.937 0 50 EHAA CCCNC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 92066727 YCTUHJLTNARBFE-INIZCTEOSA-N 326.444 3.595 0 50 EHAA CC(=O)c1ccc(N2CCOCC2)c(-c2cnn(CCC(C)C)c2)c1 96160156 WJUYBEGJEFBSAJ-UHFFFAOYSA-N 341.455 3.635 0 50 EHAA O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)[C@H]1CCCOC1 110418282 OCVKKSNMBOBDPU-ZDUSSCGKSA-N 340.354 3.999 0 50 EHAA Cc1cc(=O)[nH]cc1C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 127203016 ZMRFWDWCORAXEP-UHFFFAOYSA-N 344.842 3.926 0 50 EHAA Cc1nc(-c2cccc(NC(=O)Cc3cnc4ccccc4c3)c2)n[nH]1 131373020 KABCESHGRNTGFG-UHFFFAOYSA-N 343.390 3.510 0 50 EHAA Cc1csc(C2(NC(=O)C[C@@H]3CSCCS3)CCCC2)n1 132492370 AUZUVEKSMLIMOZ-GFCCVEGCSA-N 342.555 3.576 0 50 EHAA CSCC[C@@H](NCc1ccc(-c2ccc(F)cc2C)o1)C(=O)O 170612850 HABFBAQZJNRXCX-OAHLLOKOSA-N 337.416 3.690 0 50 EHAA C[C@H](c1nc2ccccc2o1)N1CCn2c(nnc2-c2ccccc2)C1 181128077 DTICBVDCQAGBKT-CQSZACIVSA-N 345.406 3.663 0 50 EHAA Clc1cccc([C@H]2CN(Cc3ccc4cn[nH]c4c3)CCO2)c1 185643704 CRUFYDQCBSHJDH-GOSISDBHSA-N 327.815 3.790 0 50 EHAA Cc1cccc2[nH]c(CCC(=O)N(C)CC3(c4ccccc4)CC3)nc12 189216341 DLAXIGFCDDWKRX-UHFFFAOYSA-N 347.462 3.994 0 50 EHAA CCn1ncc(CNC(=O)C2(c3ccccc3)CCCCC2)c1C 220254458 HFQLXPXNSLXFFD-UHFFFAOYSA-N 325.456 3.730 0 50 EHAA Cc1noc(C)c1Cc1nc(Cc2coc(-c3cccs3)n2)no1 225589822 LCABECUAIUPTEK-UHFFFAOYSA-N 342.380 3.573 0 50 EHAA Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCCCCCO)c1C 225665232 QQCWYKYZONGTGF-UHFFFAOYSA-N 341.473 3.669 0 50 EHAA Cc1ccccc1CSc1nnc(Cc2ccc(Cl)cc2)n1N 226299622 NKQQOULWJICRML-UHFFFAOYSA-N 344.871 3.837 0 50 EHAA COc1ccc(CN(C(=O)OC(C)(C)C)c2cc(CO)ccn2)cc1 230459012 NYAFXJAKULRGTA-UHFFFAOYSA-N 344.411 3.524 0 50 EHAA CN1[C@H]2CC[C@H]1CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)CC2 245484598 HSGVNMQYBGGJKK-RYUDHWBXSA-N 345.340 3.545 0 50 EHAA C[C@H](Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[C@@H]1CCOC1 272178234 FHWSMIDIWULZLY-DZGCQCFKSA-N 332.444 3.821 0 50 EHAA O=C(c1cncc(O)c1)N1CCCCC[C@@H]1/C=C/c1cccs1 329089988 IUAVNWBJIQFHAV-MVGZEHJDSA-N 328.437 3.947 0 50 EHAA N=c1[nH]c(C2CC2)ncc1-c1noc([C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 333073955 DCNKGXORMRIIPM-KWCYVHTRSA-N 339.443 3.890 0 50 EHAA CN(Cc1ccoc1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 340326854 PQLBHHKQGJAPMC-UHFFFAOYSA-N 330.775 3.783 0 50 EHAA Cc1noc(C(C)(C)NCc2ccc(Oc3cccnc3)c(C)c2)n1 341258361 WZJLMAPITRBGTR-UHFFFAOYSA-N 338.411 3.899 0 50 EHAA O=C(NCc1ccsc1)N[C@H](Cc1ccccn1)c1ccccc1 356935687 GPOPZVZYPGUPAZ-GOSISDBHSA-N 337.448 3.926 0 50 EHAA CC(C)(C)CCc1noc([C@@H]2CC(=O)N(CCc3ccccc3)C2)n1 367540337 KSORBBIUELVULH-MRXNPFEDSA-N 341.455 3.607 0 50 EHAA COc1cccc(F)c1-c1nccn1C[C@@H]1CCCN2CCCC[C@H]12 1857682617 XNERWCKKGUUEBS-DOTOQJQBSA-N 343.446 3.962 0 50 EHAA O=c1c2[nH]ccc2ncn1CC[C@@H](c1ccc(F)cc1)c1ccco1 1857711271 QYKIYBVPZQBSAG-HNNXBMFYSA-N 337.354 3.679 0 50 EHAA Cc1sc2nc(-c3cccnc3)nc(N(C)CC(C)(C)O)c2c1C 1875258644 HXLOLLMRXMRXQT-UHFFFAOYSA-N 342.468 3.577 0 50 EHAA CNC(=O)c1cccc(NC(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C)c1 1875288454 DZPZLBVZLGJKNN-WMLDXEAASA-N 343.471 3.869 0 50 EHAA Cc1cc(C(F)(F)C(=O)N2CCC3(CCC[C@@H]3CN)CC2)cs1 1875301352 GLQOXIRLKQEBCL-CYBMUJFWSA-N 342.455 3.516 0 50 EHAA Oc1cccc2c1CC[C@@H]2N=c1[nH]c2cccc(Br)c2o1 1875343019 CPXWBQRFRURIJX-LBPRGKRZSA-N 345.196 3.817 0 50 EHAA C=CC(=O)N(Cc1cn(C)nc1-c1ccc(F)cc1)C1CC(C)C1 1875382161 SSRVBPWPGRKQEM-UHFFFAOYSA-N 327.403 3.539 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2cccc3nccnc23)C[C@H](C(C)C)O1 2100536888 DESVLXAKWPSVMY-CRAIPNDOSA-N 341.455 3.686 0 50 EHAA O=C(NC[C@H]1CCC[C@]2(CCOC2)O1)Nc1ccc2sccc2c1 2325769523 QVXFKMFJJQXDEN-CRAIPNDOSA-N 346.452 3.751 0 50 EHAA Cc1ccc2c(C(=O)NCCCCn3ccnc3)ccnc2c1Cl 2325769728 DRKKMLGDFMXBQZ-UHFFFAOYSA-N 342.830 3.603 0 50 EHAA CN1CC2(CCN(C(=O)c3cc4cc(-c5ccccc5)ccc4[nH]3)C2)C1 2325805117 QDCTVQUXMKBOFK-UHFFFAOYSA-N 345.446 3.613 0 50 EHAA Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)c(C)o1 371877 DMIRNMSJTSWSRO-UHFFFAOYSA-N 346.452 3.968 0 50 EHAA O=C(Cn1cnc2ccccc2c1=O)c1ccc(-c2ccccc2)cc1 408103 CXECLFNOIIJXTR-UHFFFAOYSA-N 340.382 3.946 0 50 EHAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)OC2=O 453321 CGWINYIFYBOLHD-CVEARBPZSA-N 341.329 3.766 0 50 EHAA Nn1c(SCc2ccc(F)cc2)nnc1-c1cccc(Cl)c1 525233 KRGKKYYULLWDHA-UHFFFAOYSA-N 334.807 3.744 0 50 EHAA CC(C)(C)[C@H](O)[C@@H](Cc1ccc(Cl)cc1Cl)n1cncn1 967739 URDNHJIVMYZFRT-ZIAGYGMSSA-N 328.243 3.776 0 50 EHAA biogenic,in-vitro O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC=CC[C@H]1C(=O)O 1177093 XMJBBSPXYYWVOW-VHSXEESVSA-N 347.720 3.964 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2c(c1)COC2=O 4813559 UHAIHHDGMTXFSU-UHFFFAOYSA-N 325.408 3.902 0 50 EHAA C[C@H](Nc1nc(N2CCN(C)CC2)nc2ccccc12)c1ccccc1 6702042 KNANFVBOVIAAEK-INIZCTEOSA-N 347.466 3.555 0 50 EHAA O=C(CN1CCc2ccccc2C1)Nc1cccc(Cl)c1Cl 9096087 DUXOKNRYBLYNOQ-UHFFFAOYSA-N 335.234 3.990 0 50 EHAA CC(C)c1ccccc1OCC(=O)N1CCN(c2ccccc2)CC1 12383129 YGQKVOZHAFUUJQ-UHFFFAOYSA-N 338.451 3.538 0 50 EHAA CCC1=NO[C@@H](Cn2ccc(-c3cccc(-c4cncnc4)c3)n2)C1 19229401 UGCPFKOWUCOMCA-GOSISDBHSA-N 333.395 3.562 0 50 EHAA CN1CCc2c1nc1ccccc1c2NC(=O)CCc1ccccc1 19285797 RZDKMPGUPGKKPL-UHFFFAOYSA-N 331.419 3.798 0 50 EHAA biogenic CC(C)n1cc(CN2CCC[C@H](N(C)CCc3ccccc3)C2)cn1 19300168 WAVWIMPISAZSCG-NRFANRHFSA-N 340.515 3.603 0 50 EHAA CCOc1cc(CNCCCn2ccnc2)cc(Cl)c1OCC 35360397 GXCBBRLKTVDHNP-UHFFFAOYSA-N 337.851 3.514 0 50 EHAA Cc1cc(N2CCOCC2)n2nc(-c3cccc(Cl)c3)c(C)c2n1 40216680 XALKADTUBZRZAD-UHFFFAOYSA-N 342.830 3.503 0 50 EHAA Cc1cc(C(=O)N2CCc3sccc3C2)c2ccc(F)cc2n1 43806045 BYMGYVNRWYJBTQ-UHFFFAOYSA-N 326.396 3.942 0 50 EHAA CC(C)c1cc(CNC(=O)CCSCc2ccc(F)cc2)no1 65455641 CFQLUHBPPFHSGU-UHFFFAOYSA-N 336.432 3.877 0 50 EHAA Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1cncnc1C 67433581 JECLMHFPMQGIPO-UHFFFAOYSA-N 348.406 3.519 0 50 EHAA Cc1c(Cl)cccc1NC(=O)[C@@H](C)n1ncc2ccccc2c1=O 67603553 VDQFPWQZGXHMKN-GFCCVEGCSA-N 341.798 3.558 0 50 EHAA O=C([C@H]1CC12CCC2)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 67884196 HWIWVSBNJPHFCU-LJQANCHMSA-N 349.478 3.897 0 50 EHAA Cc1c(Cl)cc(C(=O)N2CCC[C@H](N(C)C)CC2)cc1Cl 72135217 QEAXUWKVQACJCO-ZDUSSCGKSA-N 329.271 3.858 0 50 EHAA CCC(=O)NCc1cccc(C[C@H]2COc3cc(OC)ccc3C2)c1 91562672 CJUFASQMWQFWDK-QGZVFWFLSA-N 339.435 3.515 0 50 EHAA CN(CCc1cn[nH]c1)C(=O)c1ccc(-c2ccccc2Cl)o1 91663703 KJLGFVXVHSJGGQ-UHFFFAOYSA-N 329.787 3.638 0 50 EHAA CCc1nn(C)c(Cl)c1CN1CCC[C@@H]1c1ccccc1OC 93008104 MQKZEHWHRSZPEQ-MRXNPFEDSA-N 333.863 3.982 0 50 EHAA COc1ccc(OC)c([C@@H](C(=O)O)N(C)Cc2ccccc2Cl)c1 95386474 VPCNIPFOHYIGOH-KRWDZBQOSA-N 349.814 3.615 0 50 EHAA CCN(C(=O)Nc1cccc(-c2ccn[nH]2)c1)[C@H]1CCOC(C)(C)C1 96161937 YEIUHZWPKPCGKI-INIZCTEOSA-N 342.443 3.888 0 50 EHAA Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1c(C(C)C)nn(C)c1Cl)N2 153667698 IEEVMGKWNVAWMN-INIZCTEOSA-N 332.835 3.702 0 50 EHAA Cc1nc(CNC(=O)N(C)CC2(c3ccccc3)CC2)sc1C 170602191 WPJDBWOODBIWLU-UHFFFAOYSA-N 329.469 3.633 0 50 EHAA Cc1nc2ccccc2nc1CS[C@H]1CCCN(C(C)C)C1=O 175330872 NLXNZYJTSSLBRR-KRWDZBQOSA-N 329.469 3.571 0 50 EHAA Cn1cc(CNC(=O)Nc2ccc(F)cc2F)c(-c2ccccc2)n1 181241598 XQFSZOHSBLJSTI-UHFFFAOYSA-N 342.349 3.687 0 50 EHAA CCCn1cc(N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)cn1 186322241 RPQCCBLWFWVDBY-GFCCVEGCSA-N 329.379 3.964 0 50 EHAA CS(=O)(=O)Cc1cc(F)ccc1NCc1cc(Cl)ccc1F 189666741 VNKOVLHKZDGTNC-UHFFFAOYSA-N 345.798 3.775 0 50 EHAA COc1ccc2c(c1)CCN2C(=O)c1sc(CC2CC2)nc1C 190574828 BJVAUCWPBVODON-UHFFFAOYSA-N 328.437 3.616 0 50 EHAA O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2ccncn2)C1 215871881 OCKDFRLXDYUAJW-CYBMUJFWSA-N 335.329 3.515 0 50 EHAA CC[C@@H](NC(=O)c1ccc(-c2cccc(OC)c2)cc1)C1CC(O)C1 220192635 IYULTAFLZJLKGX-AFMYVXGZSA-N 339.435 3.642 0 50 EHAA CCn1ccnc1[C@@H]1CCCCN1C(=O)CSc1ccccc1 242389553 ZYGLZOJNMCMRHT-INIZCTEOSA-N 329.469 3.749 0 50 EHAA CN1CCC[C@@H](CNC(=O)C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 248119875 JSNCTWAZEPCIQY-GOEBONIOSA-N 340.389 3.615 0 50 EHAA C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OCC(=O)O)CC[C@@]43C)[C@H]1CCC2=O 257356406 HVGDJTBADGQHHZ-YBCKDWFCSA-N 346.467 3.988 0 50 EHAA C[C@@H](NC(=O)c1cc(O)ccc1Cl)c1nc(C2CCCCC2)no1 290413553 USBZQIIXXBOFSW-SNVBAGLBSA-N 349.818 3.967 0 50 EHAA CC(C)c1noc([C@@H](NC/C=C/c2ccccc2)C2CCOCC2)n1 328640528 XKCICFFLDTXEHB-YOCVDRLZSA-N 341.455 3.964 0 50 EHAA CC1(c2ccccc2)CCC(N[C@@H]2CCC(=O)NC23CCC3)CC1 338776737 MLJNHEQOWXZERT-QPIRBTGLSA-N 326.484 3.678 0 50 EHAA CCO[C@@H](C)CN(C)C(=O)c1ccc(-c2ccccc2N(C)C)cc1 426376268 CECSLFKKPKSRJE-INIZCTEOSA-N 340.467 3.917 0 50 EHAA C[C@H](O)c1ccc(-c2cccc(C(=O)N3CCOC(C)(C)C3)c2)cc1 426574952 DCFCAPZNSKHPJO-HNNXBMFYSA-N 339.435 3.658 0 50 EHAA C[C@H](Oc1ccccc1F)C(=O)Nc1ccc2oc(C(=O)O)cc2c1 439986696 DGYSHKSLRRMJKE-JTQLQIEISA-N 343.310 3.676 0 50 EHAA O=C(COc1ccc(F)c(Cl)c1)Nc1n[nH]c2cc(F)ccc12 476794704 OQAKLEPGDWOGFO-UHFFFAOYSA-N 337.713 3.512 0 50 EHAA C[C@H](c1ccc(-c2cc(C(=O)O)ccc2F)cc1)N1CCOCC1 534584479 MRDCXFNAIPDVMJ-CYBMUJFWSA-N 329.371 3.584 0 50 EHAA Cc1cc(C)nc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)c1 680914076 KXLUQOSSOGJNTI-IEBWSBKVSA-N 339.439 3.988 0 50 EHAA C[C@H](c1ccccc1)N(C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 952884205 VZYSVIHMLXNSAJ-OCCSQVGLSA-N 338.377 3.596 0 50 EHAA O=C(NCc1cscc1Cl)N[C@@H]1CCOCC12CCCC2 1342104474 ABUYKTROSDPCQK-CYBMUJFWSA-N 328.865 3.550 0 50 EHAA Cc1cc(Cl)ccc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1529152060 OQOVVQNSSVGEDR-MDBPOYHNSA-N 334.891 3.839 0 50 EHAA O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC[C@H](C2(O)CC2)C1 1772809776 DOTBWSAPRZSOOC-SFHVURJKSA-N 339.410 3.870 0 50 EHAA Cc1nc(C2CCOCC2)ncc1C(=O)NCC[C@H](C)CC(C)(C)C 1875357789 WWZJNEXXUSXWQI-AWEZNQCLSA-N 347.503 3.871 0 50 EHAA COc1ccc2c(c1)C[C@H](C)N(C(=O)[C@@H]1CCC(C)(C)CO1)[C@@H]2C 1875358205 MZOXRVXAETZXRA-IYOUNJFTSA-N 331.456 3.735 0 50 EHAA COc1ccncc1CC(=O)N(CC(F)F)c1cccc(Cl)c1 2325760772 XUNGBFLIDWABNH-UHFFFAOYSA-N 340.757 3.584 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N1CCC(OC(F)(F)F)CC1 2356143559 MRDMBPHQQCAJNA-UHFFFAOYSA-N 336.379 3.716 0 50 EHAA CC(C)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 57011 MYMGENAMKAPEMT-LJQANCHMSA-N 325.408 3.542 0 50 EHAA in-vitro COc1ccc([C@H](O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 408208 XQKGHTCAMDFFJF-OAHLLOKOSA-N 346.383 3.710 0 50 EHAA CCOc1ccc2nc(NC(=O)c3ccc4c(c3)OCO4)sc2c1 475653 MSSGOPMGNVRLSO-UHFFFAOYSA-N 342.376 3.676 0 50 EHAA O=C(Nc1ccccc1)Nc1nnc(COc2ccc(F)cc2)s1 1296375 FABUAUZTPIBDTG-UHFFFAOYSA-N 344.371 3.900 0 50 EHAA CC(C)Oc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 2751618 SBNOMZIWGXETRQ-GZTJUZNOSA-N 325.339 3.957 0 50 EHAA S=C(NCc1cccs1)Nc1ccc(Br)cc1 2895509 RNYJGRJHENNFRU-UHFFFAOYSA-N 327.272 3.997 0 50 EHAA O=C(Cc1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCCO2 3597930 RLCWRCSXJQYAGX-UHFFFAOYSA-N 338.190 3.946 0 50 EHAA O=c1c2ccccc2nc(/C=C/c2ccco2)n1-c1cccc(O)c1 3901970 RCBPOGYSXOIFSO-ZHACJKMWSA-N 330.343 3.855 0 50 EHAA CSc1nc(C(=O)N2CCO[C@@H](CC3CCCCC3)C2)cs1 12198635 CXVKVBUIKBFKMZ-ZDUSSCGKSA-N 340.514 3.676 0 50 EHAA COc1ccc(C(=O)[C@H]2CCCN(C(=O)C3=CCCC3)C2)c(C)c1 12596434 BBKCXTXWNRQRGP-INIZCTEOSA-N 327.424 3.535 0 50 EHAA CSCCNC(=O)c1ccc2oc(Cc3ccccc3)nc2c1 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3.964 0 50 EHAA Cc1ccc(-c2cc(O)c3c(c2)CN(C[C@H]2CCCO2)CCO3)s1 67804783 ZOLQUABPXSAVJM-MRXNPFEDSA-N 345.464 3.803 0 50 EHAA Cc1ccc(NC(=O)CNc2nc(C)cc(C3CCC3)n2)c(F)c1 71576215 NZSCTASVXZEDIR-UHFFFAOYSA-N 328.391 3.551 0 50 EHAA CCc1[nH]c2ccc(CNC(=O)[C@@H]3CCCCCN3C)cc2c1C 71721695 IXBFTDXGSPLBJP-IBGZPJMESA-N 327.472 3.529 0 50 EHAA CN(C)CCC[C@@]1(O)c2ccccc2COc2ccc(Cl)cc21 71770623 KCBSHHSUTBTCFH-LJQANCHMSA-N 331.843 3.810 0 50 EHAA CC(C)(C)NC(=O)CN1CCC[C@H](CCc2ccc(F)c(F)c2)C1 72137188 ROARYECCFRWSLV-OAHLLOKOSA-N 338.442 3.524 0 50 EHAA Cc1cccn2cc(CN3CCC[C@@H](Nc4ccc(F)cc4)C3)nc12 72174206 GWEIHXUIQFTLCV-GOSISDBHSA-N 338.430 3.858 0 50 EHAA Cc1cc(NC2CCN(c3ccc(F)cc3)CC2)n2nc(C)cc2n1 72447445 VOBHUCUOKKVOCO-UHFFFAOYSA-N 339.418 3.566 0 50 EHAA O[C@H](Cc1ccccc1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1 72477516 MIGQTEMWLGTQQF-JOCHJYFZSA-N 334.463 3.984 0 50 EHAA Clc1ccccc1-c1cc(Cn2ccnc2[C@@H]2CCOC2)no1 77378834 OXKOETBGJPRLFP-GFCCVEGCSA-N 329.787 3.744 0 50 EHAA COc1cccc(OC[C@H]2CCCN(C(=O)c3ccoc3C)C2)c1 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GENKPKLNRUGSOK-UHFFFAOYSA-N 335.455 3.804 0 50 EHAA C[C@@H](C(=O)NCC1(c2ccc(F)cc2)CCCC1)n1cc(Cl)cn1 223595059 CHQXVBXWULSJJH-ZDUSSCGKSA-N 349.837 3.865 0 50 EHAA C[C@@H](NC(=O)CC1C[C@@H]2CC[C@H](C1)N2)c1ccc(-c2ccncc2)cc1 237541289 UJUCQKNPKBXEHY-HYSNJBCGSA-N 349.478 3.847 0 50 EHAA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1nc(Cl)ccc1Cl 247723334 BXBYAUZULNCBMQ-ZZBQETCWSA-N 325.239 3.943 0 50 EHAA Cc1ccc(CC[C@H](C)NC(=O)N2CCC[C@@H]2c2ccncc2)o1 253420075 LGEBRPFCWVLINH-KBXCAEBGSA-N 327.428 3.851 0 50 EHAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 253589964 BCVUFMYYVJXODV-HYAAVMJPSA-N 346.467 3.566 0 50 EHAA C[C@H](N)[C@H](C)c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 261873047 VLRKFIQZYBHASW-KBPBESRZSA-N 347.422 3.585 0 50 EHAA c1ccc(CN(Cc2cc3ccccc3o2)[C@H]2CCCNCC2)nc1 275648208 KKSQVIMKWAACRL-IBGZPJMESA-N 335.451 3.972 0 50 EHAA C[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1nc2ccccc2n1C(F)F 295151349 JQJQZOLOTVRLET-ZDEQEGDKSA-N 331.366 3.821 0 50 EHAA 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Cc1nc(N2CC3(CCOCC3)[C@H]2c2ccccc2)c2cc[nH]c2n1 334128441 RJDIWPJVABIODB-QGZVFWFLSA-N 334.423 3.624 0 50 EHAA COCc1nc(CNc2ncc(C)c(-c3ccccc3F)n2)cs1 338721919 AOGLAORKWOMPSJ-UHFFFAOYSA-N 344.415 3.806 0 50 EHAA O=C(Nc1ccccc1OC(F)F)N[C@H]1CCCC12CCOCC2 374371757 LQCJXMNISSEEDY-AWEZNQCLSA-N 340.370 3.759 0 50 EHAA CO[C@@]1(C)CCCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)CC1 376127898 FPLAUNCEQYIWEG-HIFRSBDPSA-N 336.398 3.708 0 50 EHAA Cc1cccn2c(CN[C@@H]3c4ccccc4CC34CCOCC4)cnc12 377790185 ZOSUJZPZQJJQMA-HXUWFJFHSA-N 347.462 3.827 0 50 EHAA COc1ccc2c(c1)CN(C(=O)N[C@@H]1CCCc3c(F)cccc31)C2 654576193 DNUNUKNLOYYZKE-LJQANCHMSA-N 340.398 3.937 0 50 EHAA Cc1cc2ccccc2nc1NC[C@@H](O)COc1cccc(F)c1 768515104 AHKOYJVSWQSNPB-MRXNPFEDSA-N 326.371 3.534 0 50 EHAA CC1(C)CCC[C@]1(O)CNc1nn2cc(-c3ccccc3)nc2s1 814905648 MIJBQNIQCOPLOI-SFHVURJKSA-N 342.468 3.811 0 50 EHAA CCOc1c(Cl)cc(-c2nnc([C@@H]3CCCOC3)o2)cc1OC 886048202 YJYAGRGQBIFNSI-SNVBAGLBSA-N 338.791 3.691 0 50 EHAA O=C(Nc1ccnn1Cc1ccc(Cl)s1)c1cc(C2CC2)on1 888257382 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3.921 0 50 EHAA COC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc(C)c1C 375779 LEEHDCIQTKOFHY-UHFFFAOYSA-N 337.828 3.986 0 50 EHAA Cc1cc(O)c(NC(=S)NC(=O)/C=C/c2ccccc2)cc1C 455868 DZUNJFUULNEZQA-CMDGGOBGSA-N 326.421 3.535 0 50 EHAA CN(C)c1ccc2c3c(cccc13)C(=O)N(Cc1ccccc1)C2=O 4030174 QLMXXIUAWDMCPX-UHFFFAOYSA-N 330.387 3.702 0 50 EHAA O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Br)cc1 4323820 VYGQJJFDBYSQLN-UHFFFAOYSA-N 348.168 3.528 0 50 EHAA CCOc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1Cl 4837943 WOJPOSPVQOWFHB-LLVKDONJSA-N 345.782 3.942 0 50 EHAA CCc1ccc(O[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)cc1 6743837 CVSGIWYQZXYPLR-ZDUSSCGKSA-N 329.396 3.672 0 50 EHAA COc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3O)on2)c1 6872201 HXQFAFIGOUECKU-UHFFFAOYSA-N 344.754 3.962 0 50 EHAA O=C(c1ccc(CN2CCCCC2)cc1)N1CCc2ccccc2C1 10691278 KHMRBPSNABNTFB-UHFFFAOYSA-N 334.463 3.871 0 50 EHAA COC(=O)c1ccc(CSc2cc(-c3ccccc3)ncn2)o1 11903043 OECMUPHXVFUOHZ-UHFFFAOYSA-N 326.377 3.816 0 50 EHAA CCOC(=O)C1(Cc2cccc(OC)c2)CCN(C[C@H](C)CC)CC1 12201174 SGRJOSYMLHNEBW-QGZVFWFLSA-N 347.499 3.929 0 50 EHAA Cc1ccc(C(=O)N[C@@H](C)c2cnn(-c3ccccc3C)c2C)cn1 12372915 JITSNIYFUXBBFC-HNNXBMFYSA-N 334.423 3.684 0 50 EHAA COc1ccc(-c2nc3c(cnn3Cc3ccc(C)o3)[nH]2)cc1F 19300871 FKGWCXYDYIJHOC-UHFFFAOYSA-N 326.331 3.524 0 50 EHAA COc1ccc2c(c1)C[C@@H](c1nc(Cc3ccccc3F)no1)CO2 32519366 BJYHDWLAWGFGLN-CQSZACIVSA-N 340.354 3.527 0 50 EHAA CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)on1 35511484 KNOABSUALDEDDV-CQSZACIVSA-N 343.383 3.896 0 50 EHAA CC[C@@H](COC)NC(=O)c1cccc(NCc2sccc2C)c1 55153635 MWXFIYXSPIJIBX-HNNXBMFYSA-N 332.469 3.823 0 50 EHAA CCc1ncc(C(=O)N[C@@H](c2cccnc2)c2ccc(C)cc2C)cn1 67743140 KHGRWGUIUHQTAH-FQEVSTJZSA-N 346.434 3.570 0 50 EHAA OCC1(CCCc2ccccc2)CCN(c2ccc(Cl)nn2)CC1 67847556 PXFSXNJTVJZWFA-UHFFFAOYSA-N 345.874 3.732 0 50 EHAA CC[C@@H]1CN(CCCC(F)(F)F)CCC(=O)N1Cc1ccccc1 71416142 FEPDDOZZSABGNH-MRXNPFEDSA-N 342.405 3.842 0 50 EHAA O=C(c1ccc(O)cn1)N1CCC[C@@H](CCc2c(F)cccc2F)C1 71707894 UKKVPJHZKSNVJF-ZDUSSCGKSA-N 346.377 3.550 0 50 EHAA O=C(O)CCN1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 71776021 PXVAGEFCAGJXPC-IBGZPJMESA-N 337.419 3.723 0 50 EHAA Cc1ccc(N2C[C@H](C)N(C(=O)c3ccc(Cl)s3)CC2=O)cc1 82096392 WRLMIMMTOBOLTN-LBPRGKRZSA-N 348.855 3.587 0 50 EHAA CN(C(=O)c1ccccc1-c1nc[nH]n1)[C@@H]1CCCc2ccccc21 91650354 HJJYVRJILDJNJK-GOSISDBHSA-N 332.407 3.621 0 50 EHAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2ccc3sccc3c2)C1 92036935 MKYXOGILQSVPIR-HXUWFJFHSA-N 337.444 3.943 0 50 EHAA COc1ccc([C@@H]2CCCN2C(=O)c2ccc(SC)o2)cc1OC 112271260 MZMWYWQKDZWNCS-ZDUSSCGKSA-N 347.436 3.996 0 50 EHAA CN1CCN(C(=O)CCc2cn(C)c3ccccc23)c2ccccc2C1 132711168 FPALCPSCULRXSJ-UHFFFAOYSA-N 347.462 3.590 0 50 EHAA CCOC(=O)c1csc([C@@H]2CCCN2c2ccnc(C(C)C)n2)n1 170611260 GOCFEVPWYDGYKI-ZDUSSCGKSA-N 346.456 3.575 0 50 EHAA CC1CN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C1 170617805 QAPSILUHWHXOMO-UHFFFAOYSA-N 331.419 3.690 0 50 EHAA CC(C)CC(C)(C)C(=O)N1CCC(OC[C@H]2CCCCO2)CC1 177345863 QMEYDMKAXQYZGL-QGZVFWFLSA-N 325.493 3.635 0 50 EHAA CS[C@H](C)CC(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 179291292 DKLLSAGQQVGVRS-MRVPVSSYSA-N 345.346 3.836 0 50 EHAA Clc1ccc(CN[C@H](c2ccccc2)c2nnc[nH]2)c2ncccc12 240551672 GVHKWPFPXJQIHM-GOSISDBHSA-N 349.825 3.886 0 50 EHAA CN(C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(F)cc1 241383343 MUNOVNOPDAJSKM-CYBMUJFWSA-N 349.356 3.529 0 50 EHAA CN(C)[C@@H]1CCC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccco2)C1 241720798 QSISUNZLICRMLP-RTBURBONSA-N 340.467 3.929 0 50 EHAA CC[C@H](C)C(=O)Nc1cccc2c1C[C@@H](C)N(C(=O)[C@H](C)CC)C2 253427886 BDLGQXOLGLOUCH-RRFJBIMHSA-N 330.472 3.991 0 50 EHAA CC[C@@H](C)OCc1nc(-c2ccc(Oc3ncccn3)cc2)no1 273668116 FQOOJYOALQCSOQ-GFCCVEGCSA-N 326.356 3.634 0 50 EHAA Cn1cnc2cc(C(=O)Nc3ccccc3N3C[C@H]4CC[C@H]3C4)ccc21 279079805 AKUDIIOGFUDQJZ-HOCLYGCPSA-N 346.434 3.814 0 50 EHAA Cc1ccc(-n2cnnc2S[C@@H](C)c2nnc(C)s2)c(C)c1 340666021 CUGXMGHRFYZDSS-NSHDSACASA-N 331.470 3.897 0 50 EHAA CC1(C)CN(C(=O)c2cn(-c3ccccc3)nn2)[C@H]1c1cccs1 359915711 LXIMPZAWBKZCJP-INIZCTEOSA-N 338.436 3.552 0 50 EHAA Cc1nccnc1[C@@H](C)NC1CCN(c2ccc(Cl)cc2)CC1 364117435 CKDMRUGCKZNCIK-CQSZACIVSA-N 330.863 3.758 0 50 EHAA O=C(Nc1ccsc1Cl)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 376147728 IIWOAOZMBUJMKA-AAEUAGOBSA-N 340.807 3.880 0 50 EHAA Cc1ccc2nc(CNC(=O)N3CCCC[C@@H]3c3cccnc3)[nH]c2c1 426373555 BFPBEXYHSBXYMC-GOSISDBHSA-N 349.438 3.703 0 50 EHAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)NCc1cc2ccccc2[nH]1 426653035 XJSUHQXZZQDPTQ-KRWDZBQOSA-N 338.411 3.819 0 50 EHAA Oc1ccc(-c2noc(C3(c4ccc(F)cc4F)CCC3)n2)cn1 445436074 NWDGULJVFMKAPP-UHFFFAOYSA-N 329.306 3.585 0 50 EHAA C[C@]1(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)CC=CCC1 449981433 NPEQETBNDQUZQQ-NRFANRHFSA-N 335.451 3.630 0 50 EHAA CC(C)n1cc2c(n1)[C@H](Nc1cc(NCC3CC3)ncn1)CCC2 785843929 KQBVOURCFZYIGC-OAHLLOKOSA-N 326.448 3.565 0 50 EHAA CC[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)s2)C1 933927107 YKQCHFFVIFYYCH-NSHDSACASA-N 338.864 3.910 0 50 EHAA CNC(=O)c1cccc(-c2nnc(-c3cc(C)nc4ccccc34)o2)c1 1322180855 ZENWKOHWHGXTHR-UHFFFAOYSA-N 344.374 3.620 0 50 EHAA C[C@@H](NC(=O)Nc1ccc2n[nH]cc2c1)c1csc(C2CC2)n1 1775996431 DQENAOMRXMAKKC-SECBINFHSA-N 327.413 3.780 0 50 EHAA C[C@H](C(=O)N(C)c1ccccc1)[S@@](=O)CC=Cc1ccccc1 1857533328 WWDZHQMKCMFATR-MWTRTKDXSA-N 327.449 3.500 0 50 EHAA Cc1cc(C)c(-c2nc(CC(C)C)nn2[C@@H]2CCCC[C@H]2O)cn1 1857666783 XOKUOBSPELKDDG-IAGOWNOFSA-N 328.460 3.631 0 50 EHAA CCn1cnnc1CCn1ccnc1-c1cccc(CC(F)(F)F)c1 1857690888 SYZHQIZMSSRIQS-UHFFFAOYSA-N 349.360 3.509 0 50 EHAA CC(=O)c1ccc(N2CCOCC2)c(-c2ccc(-c3cn[nH]c3)cc2)c1 1875247686 OCXKYOBVHAKDJP-UHFFFAOYSA-N 347.418 3.783 0 50 EHAA C=CC(=O)Nc1cccc(CC(=O)N[C@H](C)c2cccc(Cl)c2)c1 1875353557 XXGMZMWUYUIALT-CYBMUJFWSA-N 342.826 3.884 0 50 EHAA Cc1cc(NC(=O)C[C@H]2CC2(F)F)n(Cc2ccc(Cl)cc2)n1 1940197523 XCFNDGXXQYWVER-LBPRGKRZSA-N 339.773 3.877 0 50 EHAA Cc1cccc(-n2cc(CNc3ccc(-c4n[nH]c(C)n4)cc3)cn2)c1 2325869486 PRZCZVINSFSUST-UHFFFAOYSA-N 344.422 3.886 0 50 EHAA COc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 175989 OXVKPRODUWZBQL-UHFFFAOYSA-N 344.374 3.681 0 50 EHAA CCC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 192343 ADQSRWGKDICBAF-UHFFFAOYSA-N 327.405 3.779 0 50 EHAA O[C@H](CNCc1ccccc1)Cn1c2c(c3ccccc31)CCCC2 301549 DRGXYEACPYEKIE-GOSISDBHSA-N 334.463 3.671 0 50 EHAA Cc1ccc(NC(=S)NC(=O)COc2ccccc2Cl)cc1C 358818 KYFMPRGICDTONW-UHFFFAOYSA-N 348.855 3.849 0 50 EHAA Cc1cc(C)c2cccc(NC(=S)NC(=O)c3ccccc3)c2n1 445737 ZHSNWNOQXNGNDA-UHFFFAOYSA-N 335.432 3.978 0 50 EHAA aggregator CC(=O)Nc1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 455231 XFLBGYGUXAUECN-UHFFFAOYSA-N 332.787 3.624 0 50 EHAA O=C(CSc1ccc(Br)cc1)Nc1nccs1 471006 NWHKXBXLWCRBER-UHFFFAOYSA-N 329.244 3.636 0 50 EHAA Nn1c(SCc2cccc(F)c2)nnc1-c1cccc(Cl)c1 532899 LDHYWCJRXZXREG-UHFFFAOYSA-N 334.807 3.744 0 50 EHAA CC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 1060423 ROQSEDMPOCMIJJ-UHFFFAOYSA-N 330.815 3.659 0 50 EHAA COc1cc(C=O)ccc1OCCOCCOc1cccc(C)c1C 2983860 XVKOXQURNGPVLH-UHFFFAOYSA-N 344.407 3.599 0 50 EHAA COc1c(C(=O)NCCSc2ccccn2)ccc2ccccc12 4418047 JZLZYOYJFXYJIG-UHFFFAOYSA-N 338.432 3.766 0 50 EHAA COc1ccc(OC)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 5701764 XOZUAHXGRAXOAD-UHFFFAOYSA-N 325.286 3.975 0 50 EHAA COc1ccc(-c2cnn3c(N)c(-c4ccc(C)cc4)cnc23)cc1 9261236 AXRLZLJOFVCILD-UHFFFAOYSA-N 330.391 3.963 0 50 EHAA CC(C)c1ccc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)cc1 13598734 IKXHTBFSBPXKLR-LJQANCHMSA-N 349.386 3.907 0 50 EHAA Cc1ccc(C)c(NC(=O)[C@H]2CCCN2C(=O)c2cccc(F)c2)c1 20402048 QJZVLIVQLFPENK-GOSISDBHSA-N 340.398 3.686 0 50 EHAA Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3c3cccnc3)cc2)n1 29296564 CBCDQTWXOABFEA-FQEVSTJZSA-N 346.434 3.861 0 50 EHAA O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(F)cc1 44900811 RTHXOYLVCPEMQP-MRXNPFEDSA-N 325.343 3.806 0 50 EHAA CCCc1nc(CN(CC)Cc2ccc([C@@H]3CCCO3)s2)no1 55575320 ROWMNSSSRWCBSA-AWEZNQCLSA-N 335.473 3.957 0 50 EHAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCNCC1 67770748 OUMLPHMWCPERPU-UHFFFAOYSA-N 349.434 3.848 0 50 EHAA CCN1CCN(Cc2nc(-c3ccc(SC)cc3)oc2C)CC1 71614271 IJDHNDCQPBEKMB-UHFFFAOYSA-N 331.485 3.509 0 50 EHAA CNc1nc(CN2CCCC[C@@H]2c2ccc(CN(C)C)cc2)cs1 72150726 MAKLXCHQABVMAU-GOSISDBHSA-N 344.528 3.974 0 50 EHAA O=C([C@@H]1CCCc2c1[nH]c1ccccc21)N1CCC(c2ncc[nH]2)CC1 72458095 ZLFCFIGEKLHUEM-QGZVFWFLSA-N 348.450 3.717 0 50 EHAA COCc1c(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)noc1C 77344019 LDHPNCIBCGRCPG-MRXNPFEDSA-N 332.375 3.636 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N3CC(OCc4ccccc4)C3)c2c1 77488392 VAQFVWIQDXSTSZ-UHFFFAOYSA-N 346.430 3.893 0 50 EHAA Cc1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1 77555162 LYVUPAARHDVIPD-FQEVSTJZSA-N 330.447 3.501 0 50 EHAA O=C(c1ccc(Cl)cc1F)N1CCC[C@H](OCc2ccccn2)C1 82115440 DTKUPCHKRWHYMN-HNNXBMFYSA-N 348.805 3.696 0 50 EHAA CCCc1cc(C(=O)N2CCC[C@H](c3cccc(C)c3)C2)n(C)n1 82137721 SXZNBOZBJUYLTG-KRWDZBQOSA-N 325.456 3.701 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2)C1 91621212 AYVSOPOILKVCPP-INIZCTEOSA-N 325.456 3.587 0 50 EHAA CC(C)[C@@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)C[C@H]1N(C)C 91745307 JIZWMMKDDZQULD-SWLSCSKDSA-N 343.393 3.755 0 50 EHAA O=C(c1ccc(-n2ccnc2)cc1)N1CCCC[C@H]1c1cccnc1 97632101 OXHQASDAKGYBQD-IBGZPJMESA-N 332.407 3.635 0 50 EHAA CN1CCN(C(=O)c2cnc(-c3ccccc3)s2)c2ccccc21 110478608 DXCUSOPQSSTUCN-UHFFFAOYSA-N 335.432 3.907 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CCN(C)c4ccccc43)on2)cc1 110480328 AOHYYMRYUCHMFL-UHFFFAOYSA-N 333.391 3.747 0 50 EHAA O=C(O)c1cc2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)ccc2[nH]1 138516278 CGMCRTKVZUTMHI-UHFFFAOYSA-N 337.310 3.739 0 50 EHAA O=C(Nc1cccc2c1OCCO2)c1ccc(F)cc1C(F)(F)F 151318118 MNHOTTMLBGOLAM-UHFFFAOYSA-N 341.260 3.868 0 50 EHAA CNC(=O)CCCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 153742425 GCTMEWGNXGNLLF-MRXNPFEDSA-N 336.863 3.700 0 50 EHAA Cc1ccc(CN(C(=O)CN2CCC[C@]3(CC=CCC3)C2)C2CC2)o1 170626894 JFLGOGLKSFFKNU-OAQYLSRUSA-N 342.483 3.901 0 50 EHAA Cc1csc([C@H](NC(=O)c2cc(-c3ccco3)on2)C2CC2)n1 173991360 OOHHLJSLJSAYGX-CQSZACIVSA-N 329.381 3.581 0 50 EHAA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3nc(C)c(C)nc3C)nc2c1 185333071 HZKGYVWZDUSKSQ-KRWDZBQOSA-N 349.438 3.564 0 50 EHAA Cc1cc(-c2ncccc2NC(=O)NC2(CO)CCCC2)cs1 189205393 UNAFLZRXWMMWCB-UHFFFAOYSA-N 331.441 3.545 0 50 EHAA O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CCSc2ccncc21 191969826 SEDHCDLSEYRQIN-QAPCUYQASA-N 340.448 3.688 0 50 EHAA CCCc1nc(C(=O)NC2CCN(Cc3cccs3)CC2)cs1 215205248 XCGBUAIPMTUGPK-UHFFFAOYSA-N 349.525 3.552 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)N(C)Cc1cc(CN2CCCC2)cs1 216235581 QADNQTNQRYRWPC-OAHLLOKOSA-N 332.517 3.877 0 50 EHAA COCCOC1CCN(Cc2[nH]c3c(Cl)cccc3c2C)CC1 216400903 LQGSFKZOLMZFEB-UHFFFAOYSA-N 336.863 3.757 0 50 EHAA O=C(N1CCCN(C2CCCCC2)CC1)C1(c2ccccc2F)CC1 222435382 CWPYOJUKGPICHA-UHFFFAOYSA-N 344.474 3.724 0 50 EHAA Cn1cnc(-c2ccccc2)c1NC(=O)c1ccoc1Br 225561004 RZQXKQNLTCBVTL-UHFFFAOYSA-N 346.184 3.695 0 50 EHAA CC(C)c1ccc([C@@H](N)CNC(=O)CCC(=O)c2cccs2)cc1 236711122 CRWNILQPZKLLBB-INIZCTEOSA-N 344.480 3.651 0 50 EHAA Cc1nn(C)c(C)c1CNC(=O)N[C@H](C)c1oc2ccccc2c1C 241383313 MUEWIIAIVNAURN-CYBMUJFWSA-N 340.427 3.652 0 50 EHAA C[C@@H](Cc1ccccn1)N(C)CCC(=O)Nc1ccccc1Cl 244626837 FTOLMBMAHAWSJU-AWEZNQCLSA-N 331.847 3.627 0 50 EHAA COc1cccc(Cl)c1CNc1ncnc2c1cnn2C(C)(C)C 252482368 DDXRMVLEMNKRRU-UHFFFAOYSA-N 345.834 3.855 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)C2)c1 253599478 LQNUXVALCNYWCV-JFIYKMOQSA-N 341.455 3.704 0 50 EHAA N[C@H](c1cccc(F)c1)C1CCN(C(=O)OCc2ccccc2)CC1 255190557 XZGSYVJDMPZXTO-IBGZPJMESA-N 342.414 3.874 0 50 EHAA Cn1c([C@@H]2CCCN2c2nc3cc(F)ccc3o2)nc2c1CCCC2 275767162 XKYVXNRSENEMKY-INIZCTEOSA-N 340.402 3.921 0 50 EHAA OCC[C@@H](NC[C@H](O)c1cccc(Cl)c1)c1ccc(Cl)cc1 286925514 KVKOQVWBPIFCCI-SJORKVTESA-N 340.250 3.740 0 50 EHAA CC1=CCN(C(=O)c2cccc(-c3cncc(C(C)(C)O)c3)c2)CC1 299791439 CTFMYPHWIZOKBZ-UHFFFAOYSA-N 336.435 3.768 0 50 EHAA Cc1ncn(-c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)c1C 360950262 AIPIHKYZYRPWPH-UHFFFAOYSA-N 349.390 3.513 0 50 EHAA CC(C)(C)OC(=O)N1CCCc2nn(-c3ccc(Cl)nc3)cc21 390835874 DXVHAEQYTSNHCU-UHFFFAOYSA-N 334.807 3.608 0 50 EHAA CC[C@H]1C=CCN1C(=O)Nc1ccc2sc(C(=O)N(C)C)cc2c1 426693700 IQMQHTXFSHOAKG-AWEZNQCLSA-N 343.452 3.785 0 50 EHAA Cc1ccc(CNC(=O)N[C@H]2C[C@H](c3ccc(F)cc3)C2)nc1C 655961193 MHVJCCCYNKEYMK-RZDIXWSQSA-N 327.403 3.583 0 50 EHAA Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc(Cl)c(C(=O)O)c1 683313600 TWKGMXZOBWNHRA-MRVPVSSYSA-N 336.775 3.775 0 50 EHAA COc1cc(CN2CCC(c3nc(C(C)(C)C)cs3)CC2)on1 851744173 XZENROSVXFZXNL-UHFFFAOYSA-N 335.473 3.817 0 50 EHAA O=C(NCCc1cccc(Oc2ccccc2)c1)[C@@H]1CCC[C@H](O)C1 1074545311 JSJOUJMFOQJIIG-MSOLQXFVSA-N 339.435 3.689 0 50 EHAA O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1c[nH]nc1-c1ccc(Cl)cc1 1148636675 JWGULUKYINNWGH-KWCYVHTRSA-N 329.831 3.896 0 50 EHAA O=C(c1ccc(C2CC2)nc1O)N1CCCCC[C@@H]1c1ccncc1 1335631794 ILFRJMBCYSZGLX-GOSISDBHSA-N 337.423 3.817 0 50 EHAA C[C@H]1[C@H](C)CCN1C(=O)Nc1ccc(-n2nnc3ccccc32)cc1 1467336054 WYXXJQWIMGNWHI-KGLIPLIRSA-N 335.411 3.683 0 50 EHAA CC(C)c1csc(C(=O)N(C)Cc2cc(-c3ccccn3)no2)n1 1506411440 YPYNEGFZUAGJHF-UHFFFAOYSA-N 342.424 3.589 0 50 EHAA Cc1ccc(C)c(OCCCN(C)C[C@H]2CCC(=O)N(C(C)C)C2)c1 1775980990 NABVNFUUHJRRSW-LJQANCHMSA-N 346.515 3.651 0 50 EHAA Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1C[C@H]2C[C@H]1CC2(F)F 1875297557 WOONZRGYHIBOMY-SQWLQELKSA-N 345.393 3.653 0 50 EHAA O=C(Nc1c2c(cc3c1C(=O)CC3)CCC2)c1coc2c1CSC2 1875324422 XXLGQEYZAVKFFU-UHFFFAOYSA-N 339.416 3.896 0 50 EHAA CCS[C@@H](C)C(=O)Nc1cc(C)nn1Cc1ccc(Cl)cc1 1940196055 GVOCZGUPQUHIHQ-LBPRGKRZSA-N 337.876 3.973 0 50 EHAA CN(C)Cc1ccc(CN2CC[C@@H](n3ncc4ccccc43)C2)cc1 2325730669 PKHARHFBWHJUNF-HXUWFJFHSA-N 334.467 3.545 0 50 EHAA Cn1nc(COc2cccc(CC(=O)OC(C)(C)C)c2)cc1Cl 2325819460 FUEMPSPNRXTZFQ-UHFFFAOYSA-N 336.819 3.537 0 50 EHAA Cc1ccc(OC(F)F)c(CNC(=O)NC[C@@H]2CCC3(CC3)C2)c1 2325879747 GKQGEHZXYHVDJD-CYBMUJFWSA-N 338.398 3.976 0 50 EHAA O=C(CCCc1ccc(F)cc1)N1CC[C@H](c2ccccc2)[C@H](O)C1 2356136712 GQVYZCDZIWRJDY-WOJBJXKFSA-N 341.426 3.525 0 50 EHAA CC(C)Cc1nc(-c2ccc(O)nc2C(C)C)n(-c2ccncc2)n1 2356157864 VCNBYGPUKIKXEH-UHFFFAOYSA-N 337.427 3.752 0 50 EHAA Cc1cccc(NC(=O)C[C@H]2Nc3cccc4cccc(c34)NC2=O)c1 82206 YWQBWYXHFQVQRQ-GOSISDBHSA-N 345.402 3.910 0 50 EHAA CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)O 133627 KLZLLEJYZREVKV-UHFFFAOYSA-N 327.380 3.700 0 50 EHAA COc1cc(CNCc2ccc(SC)cc2)cc(OC)c1OC 172205 IZTZTRUHYZXVKF-UHFFFAOYSA-N 333.453 3.724 0 50 EHAA Cc1cc2ncn(C[C@@H](O)COc3cccc(Cl)c3)c2cc1C 181004 KRQUDZKPAUWLMS-OAHLLOKOSA-N 330.815 3.746 0 50 EHAA Cc1ccc(-c2c3c(nc4sc(C(N)=O)c(N)c24)CCCC3)cc1 468533 SEPXGPORWHZIJE-UHFFFAOYSA-N 337.448 3.832 0 50 EHAA COc1ccc(NC(=O)Nc2nnc(-c3cccs3)s2)cc1 1261301 ZAEZQYFMFOLOLR-UHFFFAOYSA-N 332.410 3.919 0 50 EHAA O=C1[C@@H]2CS[C@@H](c3ccc(F)cc3)N2C(=S)N1c1ccccc1 1428613 HIVROSNAOLQSRB-HOCLYGCPSA-N 344.436 3.573 0 50 EHAA CCCCOC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3 1797618 TXQHEGKZRHIKBS-UHFFFAOYSA-N 344.407 3.702 0 50 EHAA CC(=O)Nc1ccccc1NC(=O)COc1ccc(C(C)C)cc1 4675178 URBCXDYZFUOTJB-UHFFFAOYSA-N 326.396 3.786 0 50 EHAA COc1ccccc1N1CCN(C(=O)Nc2cc(C)ccc2C)CC1 6715653 MGIFPWSXDSKNSN-UHFFFAOYSA-N 339.439 3.666 0 50 EHAA COc1ccc([C@@H](C)NC(=O)CSc2ccccc2)cc1OC 6725451 QQCXMECKYLWBIB-CYBMUJFWSA-N 331.437 3.673 0 50 EHAA Cc1cccc(-c2noc(CN(C)C(=O)CCC3CCCC3)n2)c1 7759958 CHWOPKCXAGJENJ-UHFFFAOYSA-N 327.428 3.974 0 50 EHAA Cc1ccc(Cl)c(-n2nnc(C(=O)Nc3ccccc3)c2C)c1 8022304 ATTMVMRUQZJAIB-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C1CCCC1 9903455 AYHWXKPFTYXQME-UHFFFAOYSA-N 344.436 3.616 0 50 EHAA Cc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 10544161 MXPSBESLRRQZJN-INIZCTEOSA-N 331.437 3.576 0 50 EHAA O=C(C1CC1)N1CCC(n2c(-c3ccccn3)nc3ccccc32)CC1 12242315 HZWHNKQCCXKWNL-UHFFFAOYSA-N 346.434 3.672 0 50 EHAA C[C@H]1CN(CCOCCSc2ccc(Cl)cc2)C[C@@H](C)O1 13153582 OOVLVMWSMGXCRD-OKILXGFUSA-N 329.893 3.558 0 50 EHAA COC(=O)c1c(Cl)c(C)nc2c(-c3ccc(Cl)cc3)cnn12 13645319 BWPNJJXWECSGPC-UHFFFAOYSA-N 336.178 3.798 0 50 EHAA COC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CCCCC2 16603174 CLYMVGMUFLDAMF-UHFFFAOYSA-N 348.424 3.661 0 50 EHAA CC[C@@H](C(=O)N(C)Cc1nc(-c2cccs2)no1)c1ccccc1 16651036 XIGJVOOUXCWVJI-CQSZACIVSA-N 341.436 3.950 0 50 EHAA CC[C@H](C(=O)N(C)Cc1nc(-c2cccs2)no1)c1ccccc1 16651038 XIGJVOOUXCWVJI-AWEZNQCLSA-N 341.436 3.950 0 50 EHAA Cc1noc(C)c1Cn1ccc(-c2cccc(-c3cncnc3)c2)n1 20451875 SFUIZCSPQUICQG-UHFFFAOYSA-N 331.379 3.660 0 50 EHAA C[C@H]1C[C@@H](C)CN(C(=O)COCc2cc(-c3ccc(F)cc3)on2)C1 20569322 YDZLVJHGORDLGW-OKILXGFUSA-N 346.402 3.502 0 50 EHAA COc1cc(Cl)c(C)cc1NC(=O)c1cc(C(F)(F)F)n(C)n1 21806898 VNKZSBSWYNFXCR-UHFFFAOYSA-N 347.724 3.662 0 50 EHAA CC[C@@H](C(=O)N(Cc1ccccc1)Cc1nccs1)n1cccn1 55252399 PGEKXHDSXBHIFF-INIZCTEOSA-N 340.452 3.520 0 50 EHAA COc1ccccc1-n1nc(C2CC2)nc1-c1ccncc1Cl 65381966 QZEWZEHJTMMSFA-UHFFFAOYSA-N 326.787 3.869 0 50 EHAA CN1CC[C@@H](CNC(=O)Nc2ccccc2Oc2ccccc2)C1 67559249 TUQIBHIHSGGTIV-HNNXBMFYSA-N 325.412 3.552 0 50 EHAA CCc1cc(C(=O)N2CCC[C@H](C(=O)Cc3ccccc3)C2)cs1 77288001 ABYSWWCATJUFIK-INIZCTEOSA-N 341.476 3.975 0 50 EHAA Cc1nc(C(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)cs1 77339627 QNNPNRYSQYURPO-GOSISDBHSA-N 343.496 3.881 0 50 EHAA COCCC[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 77538666 RHAVJHZUXABURQ-ZDUSSCGKSA-N 329.362 3.984 0 50 EHAA CCc1nc(C)c(C(=O)N2CCC[C@H](COc3cccc(C)c3)C2)o1 77553845 JVMVBRXDTMENGH-INIZCTEOSA-N 342.439 3.785 0 50 EHAA COc1cccc([C@@H]2CCCN2C(=O)c2cc(C(C)C)nn2C)c1 82107816 GMICWHLPWVXQKY-KRWDZBQOSA-N 327.428 3.529 0 50 EHAA Cc1ncsc1CN1CC[C@]2(CCCN(C3CCCCC3)C2=O)C1 91848225 CCBSGZKALPKOJC-LJQANCHMSA-N 347.528 3.599 0 50 EHAA c1ccc(CN2CCC[C@@H](c3nccn3Cc3cscn3)C2)cc1 95390224 BWGPCSCLJZQKSL-QGZVFWFLSA-N 338.480 3.768 0 50 EHAA Cc1ccc2nc(C)c(C)c(C(=O)NCCNc3ccncc3C)c2c1 95499631 TXUSZSUFVIPYBX-UHFFFAOYSA-N 348.450 3.705 0 50 EHAA CCCOC[C@H]1CCN(C(=O)Nc2ccccc2OC(F)(F)F)C1 95512524 KHGLJUSDZPZYOP-LBPRGKRZSA-N 346.349 3.866 0 50 EHAA CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccc(C(F)(F)F)cc1 95743482 KOEWZHJZHRVSCS-ZDUSSCGKSA-N 330.350 3.587 0 50 EHAA O=C(Nc1ccccc1Oc1cccnc1)N1CCCC[C@@H]1CCO 96132053 AQUKQUPKCHQBCP-OAHLLOKOSA-N 341.411 3.643 0 50 EHAA CC(C)COc1cc(F)cc(-c2cncc(C(=O)N3CCCC3)n2)c1 97732483 MLYFMSPWTSVJMT-UHFFFAOYSA-N 343.402 3.554 0 50 EHAA CCOc1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)cc1 100769182 NMCWHTHTYJQSPJ-SFHVURJKSA-N 336.370 3.872 0 50 EHAA Cc1n[nH]c(C)c1NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 161821796 ATPWAHUOYSLSIT-GFCCVEGCSA-N 348.275 3.730 0 50 EHAA COCCOc1ccccc1CNc1cc(C(F)(F)F)ccn1 170654122 AGJLCWAULOTNQA-UHFFFAOYSA-N 326.318 3.738 0 50 EHAA O=C([C@H]1CCCO[C@@H]1c1ccccc1)N1CCSc2ccncc21 191969832 SEDHCDLSEYRQIN-MAUKXSAKSA-N 340.448 3.688 0 50 EHAA CCc1nnc(-c2ccc(NC(=O)Nc3cc(C(C)C)n[nH]3)cc2)o1 192274267 NEJPTXMKXJXKKS-UHFFFAOYSA-N 340.387 3.790 0 50 EHAA CNC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 237234502 XJSBMVQSRJQSAQ-IACUBPJLSA-N 341.282 3.555 0 50 EHAA O=C(NCCCCc1ccc(Cl)s1)NCc1cscn1 240333263 FCNOGKBALSPKMR-UHFFFAOYSA-N 329.878 3.680 0 50 EHAA COc1ccc(S(=O)(=O)Nc2cc(C)ccc2Cl)c(F)c1 241701749 QKXDJIQMMPXPMD-UHFFFAOYSA-N 329.780 3.597 0 50 EHAA O=C(c1cc(F)cc2cccnc12)N(CC(F)(F)F)c1ccccn1 241965597 UUDQQYQKKGYHLG-UHFFFAOYSA-N 349.287 3.978 0 50 EHAA C[C@@H]1C[C@@H]1C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 252480895 CFZJWUKNWBPOIR-XFBWCDHKSA-N 341.373 3.945 0 50 EHAA O=C1[C@@H]2[C@H]3C[C@@H](C4=C3[C@H]3CC[C@H]4C34CC4)[C@H]2C(=O)N1c1ccccc1 257357945 QWKWYWSTSKBGFO-KGSBAQAMSA-N 331.415 3.559 0 50 EHAA O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(OC(F)F)c1 319668527 RYYLDEWPHOZDQE-UHFFFAOYSA-N 341.697 3.892 0 50 EHAA CC(C)[C@@H]1NC(=O)N(c2ccc(-c3ccc(Cl)s3)nc2)C1=O 348659390 SXBAPUKYLJSPCT-ZDUSSCGKSA-N 335.816 3.544 0 50 EHAA CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@H](C)c1cc2ccccc2s1 408514349 YTXGFUHEPJFTFB-SNVBAGLBSA-N 341.436 3.987 0 50 EHAA CCC(=O)N(Cc1ncc[nH]1)c1ccc(Br)c(Cl)c1 408515724 UXMPBACNWXSUDD-UHFFFAOYSA-N 342.624 3.769 0 50 EHAA O=C(N[C@H](c1ccccc1)C(F)F)N1CCC(OC2CCC2)CC1 417170758 IXJYFAXOURYANI-MRXNPFEDSA-N 338.398 3.736 0 50 EHAA Cc1ccc(-c2ccc(CCC(=O)N[C@H](C)c3nc(C)no3)o2)cc1 426525877 IXTARYDRNLYKGT-CYBMUJFWSA-N 339.395 3.756 0 50 EHAA CCc1ccc([C@H]2CCN(C(=O)c3ccnc(OC(F)F)c3)C2)cc1 452154865 AKNMFZTXZBORFM-INIZCTEOSA-N 346.377 3.875 0 50 EHAA CCN(C(=O)c1c[nH]cc1C)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 496161904 QCGZOVPEKAEVBM-HNNXBMFYSA-N 349.475 3.575 0 50 EHAA O=C(c1cccs1)[C@H]1CCCN(C(=O)NCCCc2ccco2)C1 534655990 ZATDLHZQXXNSIR-AWEZNQCLSA-N 346.452 3.578 0 50 EHAA O=C(O)Cc1c(Cl)cccc1-c1cccc(CO[C@H]2CCOC2)c1 657203779 YSNXBZXBHUBZLG-HNNXBMFYSA-N 346.810 3.940 0 50 EHAA Cc1ccc([C@@H](CC(=O)N2CCCc3ccccc3C2)C(=O)O)cc1 899816452 DWUMMQVADLILNW-LJQANCHMSA-N 337.419 3.528 0 50 EHAA COc1c(Cl)cccc1-c1noc(Cc2n[nH]c3c2CCCC3)n1 904185104 PJZFYFRMBZGZAT-UHFFFAOYSA-N 344.802 3.591 0 50 EHAA COc1ccc([C@H]2CN(Cc3cc(C)cc(F)c3)C[C@@H]2N(C)C)cc1 1565531134 XKIMIVJMVHBFMJ-RTWAWAEBSA-N 342.458 3.672 0 50 EHAA CC(C)(C)[C@H]1CN(Cc2c[nH]c(=N)s2)C[C@@H](c2ccccc2)O1 1875240552 BBUBYHWLLGDGNL-JKSUJKDBSA-N 331.485 3.544 0 50 EHAA Cc1ccc2nc(C)c(C)c(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)c2c1 2356151907 GFDMRZHBOYVIDT-SHTZXODSSA-N 340.423 3.533 0 50 EHAA O=C1C[C@@H](c2ccccc2C(F)(F)F)c2cc3c(cc2N1)OCO3 94998 CJUCOCQEZCGITM-JTQLQIEISA-N 335.281 3.908 0 50 EHAA Cc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c(C)c1 108885 JAZXGMOMEKJNCY-INIZCTEOSA-N 326.421 3.745 0 50 EHAA CC(=O)Nc1ccc(NC(=O)c2cccc(Br)c2)cc1 292692 OUPNBLNHBNAAMZ-UHFFFAOYSA-N 333.185 3.660 0 50 EHAA Cc1cc(C)c(C)c(OCC(=O)NC2C3CC4CC(C3)CC2C4)c1 469537 DUTFGINSOYASJK-UHFFFAOYSA-N 327.468 3.932 0 50 EHAA O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 527784 IABFUIOIHOCZAI-UHFFFAOYSA-N 335.278 3.525 0 50 EHAA COc1ccc(-c2cc(C(=O)N3[C@@H](C)CCC[C@@H]3C)no2)cc1OC 3908074 QGEXVTRVLVLYGD-STQMWFEESA-N 344.411 3.762 0 50 EHAA CC(=O)Nc1ccccc1C(=O)OCc1cccc(Br)c1 4839958 LLBRYSZRBCAXPG-UHFFFAOYSA-N 348.196 3.765 0 50 EHAA CCOC(=O)C1CCN(CCCOc2ccc3ccccc3c2)CC1 6702473 XBICVTDXJVTSOI-UHFFFAOYSA-N 341.451 3.884 0 50 EHAA CC(=O)c1c(O)cc(C)n(C(c2ccccc2)c2ccccc2)c1=O 11990490 NPQCSACQRMZNHL-UHFFFAOYSA-N 333.387 3.703 0 50 EHAA CCCNC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2)cc1 12404205 AAKDRPQGCDYYTF-SFHVURJKSA-N 340.423 3.623 0 50 EHAA Cc1ncc(CN2CCC[C@](CO)(Cc3ccccc3C)C2)s1 15077672 WCDWAPWNHWDSNF-IBGZPJMESA-N 330.497 3.577 0 50 EHAA CC(C)c1cc(CN2CCC[C@H](N(C)CCc3ccccc3)C2)n[nH]1 22914180 UNWRKOIZGGQWPM-FQEVSTJZSA-N 340.515 3.672 0 50 EHAA CCCO[C@H]1CCCN(C2CCN(c3cccc(OC)c3)CC2)C1 32603584 GYKLWVFSHKRIIQ-FQEVSTJZSA-N 332.488 3.555 0 50 EHAA CCNc1nc(C)cc(Nc2ccc(NC(=O)CC(C)C)cc2)n1 64800710 UZTKZBGFYWJXSX-UHFFFAOYSA-N 327.432 3.945 0 50 EHAA COc1cc(F)c(-c2nccn2[C@H](C)CCn2cccn2)c(F)c1 71754728 LTKMPBLZHYYEAE-GFCCVEGCSA-N 332.354 3.685 0 50 EHAA COc1ccc([C@@H]2CN(CC=C(C)C)[C@@H]3C4CCN(CC4)[C@H]23)cc1 71771539 VOKKFKBUJHMIQZ-PWRODBHTSA-N 326.484 3.523 0 50 EHAA CCc1ccc(NC(=O)N2CCCC[C@@H]2CCn2ccnc2)cc1 72165603 CRPYBYXSQZUIQC-GOSISDBHSA-N 326.444 3.922 0 50 EHAA Cc1cc(C[C@H](C)n2ccnc2-c2cccc(-n3cccn3)c2)n[nH]1 72420181 PSXKVODNYMGZFC-HNNXBMFYSA-N 332.411 3.571 0 50 EHAA O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@@H]1CCN1CCCC1 82097395 PHDALSLECVJJGM-GOSISDBHSA-N 325.456 3.649 0 50 EHAA CCc1nc(C)sc1CN1C[C@@H]2CC[C@H](C1)N(CC=C(C)C)C2 91390736 USCDOZHYZNHJED-DLBZAZTESA-N 333.545 3.876 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)NCCc1noc(-c2ccccc2)n1 91493804 DYCRZIIUKSBLTB-KRWDZBQOSA-N 347.418 3.515 0 50 EHAA COc1ccc(-n2ccnc2CN2CCC[C@@H]2c2cc(C)on2)cc1 97785370 LXJVMJPDQFKWAA-GOSISDBHSA-N 338.411 3.514 0 50 EHAA O=C([C@@H]1OCCc2ccccc21)N(Cc1ccccc1)CC(F)F 123574870 VIFNRACUMKYMQI-GOSISDBHSA-N 331.362 3.594 0 50 EHAA Cc1c(C(=O)NCc2coc(-c3ccccc3)n2)cnn1C(C)(C)C 132903930 HORBHGTXSFJXCK-UHFFFAOYSA-N 338.411 3.532 0 50 EHAA Cc1nnc(CN2CCC(Sc3ccc(Cl)cc3)CC2)n1C 134853811 LTTFNPBPGVHKFC-UHFFFAOYSA-N 336.892 3.534 0 50 EHAA O=C(NC1CCCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 142903762 UVRXMEVVBPJLKM-UHFFFAOYSA-N 339.317 3.818 0 50 EHAA C[C@H]1CCC[C@@H](C)CN1C(=O)c1cccc(OCC(F)(F)F)n1 150775710 COFFFBNQOBFBAA-NEPJUHHUSA-N 330.350 3.673 0 50 EHAA O[C@@H](CCc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2 170605497 WOLXGHUINBNFAU-FFWRVTDESA-N 328.452 3.968 0 50 EHAA CC[C@H](C)n1nc(NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1C 170618510 WHJWINYCRXOKQH-NSHDSACASA-N 348.834 3.702 0 50 EHAA CNC[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)C1 179018409 IJKCEODUYUSISM-CYBMUJFWSA-N 346.833 3.828 0 50 EHAA Cc1cnc(CCN(C)C(=O)Nc2cccc(-c3cc[nH]n3)c2)s1 185997597 BSYMGZLVWMYVNV-UHFFFAOYSA-N 341.440 3.548 0 50 EHAA CC[C@H](C(=O)O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 191422965 JCBZARCOADITFA-OAHLLOKOSA-N 346.254 3.838 0 50 EHAA Cc1cc(S(=O)(=O)Nc2cccc3cccnc23)ccc1Cl 214077289 ONKHCBCVHIPBLO-UHFFFAOYSA-N 332.812 3.997 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)Cc2cnc(N3CCCC3)s2)c1 215194542 QQGCAQLJIVZSKL-OAHLLOKOSA-N 330.501 3.510 0 50 EHAA CC(C)(C)OC(=O)N1CCC[C@H](CCc2ccccc2)[C@@H]1C(=O)O 221035921 PRZZNHCYHUYMIC-HZPDHXFCSA-N 333.428 3.720 0 50 EHAA COc1ccccc1-c1ccc(C(=O)NC[C@@H](C)n2ccnc2)cc1 223784398 CCGVOPHLHVNNRT-OAHLLOKOSA-N 335.407 3.550 0 50 EHAA C[C@H]1C[C@@H](N)CCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 237523653 VMGGYTPTGPIHIK-NHYWBVRUSA-N 348.368 3.723 0 50 EHAA Cc1cc(NC(=O)c2oc3cc(Br)ccc3c2C)n(C)n1 238901313 LIKCVOBCJBMBGI-UHFFFAOYSA-N 348.200 3.798 0 50 EHAA Cc1ccccc1NC(=O)[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)C(C)C 239046985 GAZUVZLPACJRCH-QGPMSJSTSA-N 330.472 3.901 0 50 EHAA O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 239174615 QHPQSJHZNIFFBT-GMVCYHGDSA-N 349.386 3.615 0 50 EHAA CC(=O)N1CC[C@@H](Nc2nc3ccccc3o2)c2ccc(F)cc2C1 241231229 KTEKIXKMDRARQP-MRXNPFEDSA-N 339.370 3.872 0 50 EHAA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 241588332 PCANGFGTSIWPAH-HZPDHXFCSA-N 333.451 3.944 0 50 EHAA Cc1cccc(SC2CCN(C(=O)[C@H]3CC[C@@H](O)CC3)CC2)c1 244874807 XHPNWZVAHOXXOI-IYBDPMFKSA-N 333.497 3.629 0 50 EHAA CC[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O)c1cccs1 252494342 NSMGLVIXVWKOGH-QKPAOTATSA-N 336.501 3.924 0 50 EHAA Fc1ccc([C@@H](N[C@@H]2CCOc3ccccc32)c2cnccn2)cc1 253431966 YZAVOAXGJWWUBA-YLJYHZDGSA-N 335.382 3.819 0 50 EHAA C[C@@H]1CN(c2ccnc3cc(Cl)ccc23)CC2(CCOCC2)O1 279152006 BCKAVNZUKDMUPY-CYBMUJFWSA-N 332.831 3.663 0 50 EHAA NC[C@@H]1CCCCN1C(=O)c1cccc(-c2cccc(Cl)c2)c1 299760053 QCOJXLSTHNVJKK-SFHVURJKSA-N 328.843 3.960 0 50 EHAA O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)Nc1cccnc1 299784083 IPKKISBILPNUSJ-IBGZPJMESA-N 338.455 3.820 0 50 EHAA CC(C)c1nnc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)s1 328586529 NLINSTVBZJJLSU-LLVKDONJSA-N 349.481 3.601 0 50 EHAA Cc1ccc([C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)c2ccccn2)cc1 370618201 OABPVCCGGUBRCT-LEWJYISDSA-N 344.414 3.599 0 50 EHAA CC[C@H](NC(=O)N1CCCC2(CCOCC2)C1)c1ccc(F)cc1 426624765 MCYRWRGNGGKHCU-KRWDZBQOSA-N 334.435 3.879 0 50 EHAA COc1cccc2c(N3CC[C@H](n4cnc5c4CCCC5)C3)ccnc12 436450949 RGZWWIGETVNVKA-HNNXBMFYSA-N 348.450 3.770 0 50 EHAA O=C(NCc1coc(-c2ccccc2)n1)[C@@H]1CCOc2ccccc2C1 670444961 WFTPKBWPMZXFMX-QGZVFWFLSA-N 348.402 3.599 0 50 EHAA Cc1oc(C(C)(C)C)cc1CN1CCC([C@H](O)c2ccnn2C)CC1 895515226 ZUFHRCTYCTVDHG-IBGZPJMESA-N 345.487 3.565 0 50 EHAA CN(C(=O)CCc1c(-c2ccccc2)[nH]c2ccccc12)C1(CO)CC1 908156754 SMCRJGRKXDRAGR-UHFFFAOYSA-N 348.446 3.751 0 50 EHAA O=C(NC1CCN(c2ccccc2)CC1)N1CCC(=C(F)F)CC1 952879393 PKKSHPVNXAECNA-UHFFFAOYSA-N 335.398 3.611 0 50 EHAA C[C@@H](NC(=O)CCN1CCCCCC1=O)c1ccc2c(c1)CCCC2 952988146 BKUVESGEAIIAEL-MRXNPFEDSA-N 342.483 3.535 0 50 EHAA Cc1cc([C@H]2CCCN(C(=O)c3cccc(C(C)(C)C)c3N)C2)n[nH]1 1775985220 RKPLILOFWFGLLX-AWEZNQCLSA-N 340.471 3.618 0 50 EHAA N[C@H](C(=O)NCC[C@@H]1CCC(F)(F)C1)c1ccc2ccccc2c1 1875304868 YBZBTZZRLRCMCD-GUYCJALGSA-N 332.394 3.781 0 50 EHAA COc1ccc(-c2nnc(N(C)CCc3cccs3)s2)cc1 1875341070 FDIMKXHQBJNXHZ-UHFFFAOYSA-N 331.466 3.954 0 50 EHAA CCOc1ccc(C[C@@H](C)CNC(=O)C2CC3(CC[C@H]3OC)C2)cc1 2325806423 SEPUZDBDAWKKJY-YIBJRNTDSA-N 345.483 3.585 0 50 EHAA COC(=O)c1cc(COc2ccc3c(C)c(C)c(=O)oc3c2)c(C)o1 200913 RXLHKCFKEINHFU-UHFFFAOYSA-N 342.347 3.677 0 50 EHAA biogenic Cc1cccc(NC(=S)N2CCN(c3ccccc3)CC2)c1C 306743 NPHNCNVDFKEMJF-UHFFFAOYSA-N 325.481 3.822 0 50 EHAA CCN(CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1F 350681 DXZQQEGAZYMJPN-IBGZPJMESA-N 341.430 3.734 0 50 EHAA COc1ccc(OC)c(C(=O)c2oc3ccc(Cl)cc3c2N)c1 371501 ZDQVDHMXPJYCME-UHFFFAOYSA-N 331.755 3.917 0 50 EHAA CC[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1 376487 GFNXSPDUMGCCFJ-CYBMUJFWSA-N 342.464 3.858 0 50 EHAA Cc1cc(O)c(NC(=S)NC(=O)c2cccc(Cl)c2)cc1C 455880 UEGXTTKUONKAEX-UHFFFAOYSA-N 334.828 3.789 0 50 EHAA Cc1nc2cc(NC(=O)N3CC[C@H](c4ccccc4)C3)ccc2n1C 469760 XDPIHARPNJRZOJ-INIZCTEOSA-N 334.423 3.903 0 50 EHAA Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)c1 615538 PSYREHPBQDAAPO-CQSZACIVSA-N 342.826 3.948 0 50 EHAA Cc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1Cl 1024319 TXKZSOMLBASWGF-KRWDZBQOSA-N 344.823 3.533 0 50 EHAA CC(C)C(=O)Nc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1 1113251 NZPRPVTVDPJQGE-UHFFFAOYSA-N 346.456 3.682 0 50 EHAA Cc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1 2064624 VUILARFFJSPPMP-UHFFFAOYSA-N 341.885 3.719 0 50 EHAA Cc1cccc(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)n1 2754387 XANFXCFJXVLBDR-UHFFFAOYSA-N 326.787 3.541 0 50 EHAA O=C(Nc1nc2ccccc2n1CCN1CCCC1)C1CCCCC1 6056665 ZWXBOPHUVZTJNE-UHFFFAOYSA-N 340.471 3.651 0 50 EHAA CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCc1ccccc1 6677869 DDFBRKBCQBMTFS-UHFFFAOYSA-N 349.478 3.984 0 50 EHAA CCn1c(C)c(C(=O)Cn2cnc3ccccc3c2=O)c2ccccc21 10009490 RYIQKZBGTGDZJV-UHFFFAOYSA-N 345.402 3.562 0 50 EHAA CN(Cc1cccc2cnccc12)C(=O)c1cn(C2CCCCC2)nn1 12746674 TWMIADQILDSKCL-UHFFFAOYSA-N 349.438 3.604 0 50 EHAA CCN(Cc1nc(-c2cc(F)cc(F)c2)oc1C)C[C@@H]1CCCO1 14952005 XVISNWSKUZKNFS-INIZCTEOSA-N 336.382 3.929 0 50 EHAA Cc1cc(-c2ccc([C@@H](C)N3CCOCC3)cc2)ccc1C(=O)O 32520395 FXGNTEFKOOOULT-OAHLLOKOSA-N 325.408 3.753 0 50 EHAA CCN(Cc1ccncc1)[C@H](C(=O)O)c1ccc(OC(C)C)cc1 55254982 KUYJUBVPUHRZHK-SFHVURJKSA-N 328.412 3.517 0 50 EHAA CN1CCC(C)(CN(Cc2ccncc2)Cc2ccc(F)cc2)CC1 55342200 XASPNDHTDKNIAI-UHFFFAOYSA-N 341.474 3.955 0 50 EHAA CSc1ccc2cc(CN(C)[C@@H](C)c3ccncc3)c(=O)[nH]c2c1 67491129 HUWPABPVUYRKPH-ZDUSSCGKSA-N 339.464 3.838 0 50 EHAA CCN(Cc1c(F)cccc1Cl)c1cc([C@@H]2CCCNC2)ncn1 67642489 KFDXTLNXHGQNCB-CYBMUJFWSA-N 348.853 3.763 0 50 EHAA CCc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)no1 71747411 JTXASYFPIBQGRW-OAHLLOKOSA-N 330.403 3.861 0 50 EHAA CN1CCC(N(Cc2cccnc2)Cc2ccc(O)cc2Cl)CC1 72161920 YWRJDIDSORILOC-UHFFFAOYSA-N 345.874 3.537 0 50 EHAA COc1ccc(-c2n[nH]cc2CN(C)[C@H](C)c2ccccn2)c(F)c1 72426056 CHUHAOYKVGVOAU-CYBMUJFWSA-N 340.402 3.812 0 50 EHAA CCc1noc(CCn2ccnc2-c2ccccc2-c2ccco2)n1 72454663 ZUVHMTHNYWNCAM-UHFFFAOYSA-N 334.379 3.998 0 50 EHAA Cc1nc(CN2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)cs1 77299091 YEOZMJKVJGRQRY-IBGZPJMESA-N 349.544 3.702 0 50 EHAA O=C(c1ncoc1C1CC1)N1CCC(Cc2ccc(F)cc2)CC1 82135080 OMXLDRGNRSSDNA-UHFFFAOYSA-N 328.387 3.786 0 50 EHAA Cc1cc(C(=O)N2CCC(Cn3cccn3)CC2)c2cccc(C)c2n1 85479120 REQMPLWCIDQCST-UHFFFAOYSA-N 348.450 3.601 0 50 EHAA Cc1ccc(CN(C)C(=O)Nc2ccnn2C[C@H]2CC=CCC2)o1 96136209 BCPKRZAMAKQSCD-HNNXBMFYSA-N 328.416 3.805 0 50 EHAA CN1CCC(Oc2ccc(NC(=O)NCC3=CCCCC3)cc2)CC1 96141081 RUPBUIGHUANPBL-UHFFFAOYSA-N 343.471 3.782 0 50 EHAA Cc1cc(-c2nc(C)nn2C2CCN(C)CC2)c2ccc(F)cc2n1 96166457 ZNNGYCHLHOMQKG-UHFFFAOYSA-N 339.418 3.516 0 50 EHAA CC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccs2)c(Cl)c1 119507562 XDGCRHDWVIGHPJ-JTQLQIEISA-N 337.828 3.860 0 50 EHAA Cc1csc(CNC(=O)N2C[C@@H](c3ccccc3C)C[C@H]2C)n1 122114117 XJEQBJBMSVZHQI-CABCVRRESA-N 329.469 3.848 0 50 EHAA O=C(Cc1ccccc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 169754629 YIRQMLDOLFPLEZ-KRWDZBQOSA-N 333.391 3.643 0 50 EHAA COc1ccc(C)c2c1N(C(=O)CO[C@H]1CCCC[C@H]1C)CCC2 170626338 CNCPSMJCAXJCMF-WBVHZDCISA-N 331.456 3.878 0 50 EHAA CCc1nc([C@@H](C)NS(=O)(=O)c2cc(C)c(F)c(C)c2)cs1 173140189 BWBZKKFEHQHOFW-LLVKDONJSA-N 342.461 3.501 0 50 EHAA COc1cccc2[nH]cc(CC(=O)[C@H](C#N)c3nc4ccccc4o3)c12 181432753 JSWJVBCRLHGLLP-ZDUSSCGKSA-N 345.358 3.737 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1NC1CC(c2ccccc2C)C1 190436466 PTUVQRXXQUMQCY-WXDAQCLHSA-N 339.483 3.967 0 50 EHAA C[C@]1(O)CCN(C(=O)C2(c3ccccc3)CC2)C[C@H]1Cc1ccccc1 216931475 LGWPZFKSRIHUQW-IRLDBZIGSA-N 349.474 3.560 0 50 EHAA O=C(O)CC[C@@H]1CCCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 237958990 CBKLKLLLLIEKNL-RDJZCZTQSA-N 329.440 3.600 0 50 EHAA COc1cccnc1NC(=O)N1CCCCC[C@H]1c1ccncc1 241231233 KTFKHZYKKYERGB-HNNXBMFYSA-N 326.400 3.634 0 50 EHAA CC(=O)N(Cc1cccc(Br)c1)C1CCSCC1 241969522 UWYBTTACIVLILZ-UHFFFAOYSA-N 328.275 3.693 0 50 EHAA CC[C@H](C)Oc1cccc(NC(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)c1 245338714 NZPMLIMUCAFKER-VDMKFOLZSA-N 330.428 3.505 0 50 EHAA COc1ncccc1NC(=O)COc1cccc2c1ccn2C(C)C 252490505 KVONXOQBFYTQKZ-UHFFFAOYSA-N 339.395 3.643 0 50 EHAA CN(Cc1cccc2cc[nH]c12)C(=O)c1ncccc1Br 252506608 WBNFQOLUJDVPQJ-UHFFFAOYSA-N 344.212 3.598 0 50 EHAA N[C@@H](c1ccccc1F)C1CCN(C(=O)OCc2ccccc2)CC1 255190452 XIHDYRGWLFXHEB-LJQANCHMSA-N 342.414 3.874 0 50 EHAA COc1ccc2[nH]cc(CC(=O)N3CCC[C@@H]3c3ccc(C)o3)c2c1 265274524 MPEDCYIPWAXREU-GOSISDBHSA-N 338.407 3.984 0 50 EHAA CC(C)C[C@@H](NC(=O)C1(N2CCCC2)CCCC1)c1cccnc1 299757479 HWJHVYQQSBWKRL-GOSISDBHSA-N 329.488 3.694 0 50 EHAA CC(C)c1cc(CN(C)C(=O)c2ccc(N3CCCC3)cc2)on1 299766381 ITWVIDRWLKMQBJ-UHFFFAOYSA-N 327.428 3.670 0 50 EHAA O=C(c1cccc2cc[nH]c12)N1CCC[C@H]1COc1ccc(F)cc1 338369898 FUDUTPJDXYLKAG-INIZCTEOSA-N 338.382 3.991 0 50 EHAA COc1cccc(N2CCC(NCc3ccc([C@@H](C)O)cc3)CC2)c1 378164248 MGGFJYLRKLMYGZ-MRXNPFEDSA-N 340.467 3.507 0 50 EHAA O=C(CCc1ccc(Cl)cc1Cl)NC1(CF)CCOCC1 456045006 HLUMIQKHQFZXHT-UHFFFAOYSA-N 334.218 3.561 0 50 EHAA COc1cccc([C@@H](OC)c2noc(CCO[C@H](C)CC(C)C)n2)c1 665064946 DJKPWPOCDBYQJG-RDTXWAMCSA-N 348.443 3.808 0 50 EHAA O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1cc(F)cc(Cl)c1 670449445 NZVLZIHIZLVDCF-OAHLLOKOSA-N 346.833 3.698 0 50 EHAA C[C@@H](NC[C@H]1CCC2(CCCC2)O1)c1ccc(N2CCCC2=O)cc1 788487604 CXRFDEXYIYLVGV-VQIMIIECSA-N 342.483 3.956 0 50 EHAA Cc1c([C@@H](C)NC[C@@H]2CCO[C@H]2c2ncc[nH]2)oc2ccccc12 888078142 PASNDQZMMQIHNK-QWQRMKEZSA-N 325.412 3.893 0 50 EHAA Cc1nocc1NC(=O)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 931813086 OZPXUQIZWWIBGC-CYBMUJFWSA-N 348.834 3.992 0 50 EHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N1C[C@H]2CC=CC[C@H]2C1 952986044 DCSMAWWGEVMVDU-BETUJISGSA-N 332.831 3.727 0 50 EHAA Cc1ccc(C)c(C2CCN(C(=O)c3cnc4[nH]cnc4c3)CC2)c1 1336627406 ODLZWIOVMSHKJN-UHFFFAOYSA-N 334.423 3.595 0 50 EHAA Fc1ccc(OCCCN2CCCN(Cc3cccs3)CC2)cc1 1529111479 ZAJGGAJOHUFGIE-UHFFFAOYSA-N 348.487 3.864 0 50 EHAA CCCOc1ccccc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1529155068 NHASCLKOIBUHAH-USTZCAOPSA-N 344.499 3.666 0 50 EHAA OC[C@H]1CN(c2cc(C3CCCCC3)ncn2)CC[C@H]1C(F)(F)F 1775989556 PCMWOULDUWDQEM-ZIAGYGMSSA-N 343.393 3.521 0 50 EHAA Cn1cnc(-c2ccccc2)c1NC(=O)c1c(F)cc(F)cc1F 1875260261 ATWYWUSQDVOMIJ-UHFFFAOYSA-N 331.297 3.757 0 50 EHAA CC(C)(c1ccccc1)C1(NC(=O)c2ccc(CC(=O)O)cc2)CC1 1875268933 DHBVLOJXQHCFRV-UHFFFAOYSA-N 337.419 3.554 0 50 EHAA CN(C)CCc1nc(-c2cccnc2)nn1-c1ccc(C(C)(C)C)cc1 1875348350 OFVQQRWDWBUZKT-UHFFFAOYSA-N 349.482 3.731 0 50 EHAA C[C@@H](O)c1ccc(CN[C@H](Cn2ccnc2)c2ccc(F)cc2)cc1 2325744977 ABQVLQQRXUZXIL-FOIQADDNSA-N 339.414 3.607 0 50 EHAA COc1ccccc1C1CC(NC(=O)NC2CCC(C)(OC)CC2)C1 2325784552 SNYQDDRDXCMCOP-UHFFFAOYSA-N 346.471 3.588 0 50 EHAA Cc1cc(C)n(-c2ccnc(N[C@@H](C)c3ccc4ccn(C)c4c3)n2)n1 2325865443 CLCKMGDIXNTGKW-HNNXBMFYSA-N 346.438 3.944 0 50 EHAA CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1 45115 GOYLHLPGUSDKIG-QGZVFWFLSA-N 336.435 3.803 0 50 EHAA O=C(Nc1ccccc1O)c1cccc(C(=O)Nc2ccccc2O)c1 59365 JRJRREGDBAVNHN-UHFFFAOYSA-N 348.358 3.602 0 50 EHAA CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc2ccccc12 69466 AOBHXPSTFJZRKJ-KZULUSFZSA-N 338.407 3.809 0 50 EHAA Cc1cc(OCC(=O)Nc2ccc(F)cc2)ccc1Br 210740 AGDORFPVECHPLZ-UHFFFAOYSA-N 338.176 3.914 0 50 EHAA COc1cc(OC)c(NC(=O)C(Cl)(Cl)Cl)cc1Cl 458189 PHKKLXHLDOAPCH-UHFFFAOYSA-N 332.998 3.666 0 50 EHAA CC(=O)c1ccccc1OC(=O)COc1ccc(Br)cc1 586828 AQVMSHPOVDAXIA-UHFFFAOYSA-N 349.180 3.636 0 50 EHAA CCc1ccc(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)cc1 1061582 KCVSDLLJAIBHRH-GOSISDBHSA-N 337.423 3.627 0 50 EHAA CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C)cc2)cc1 1886280 XUIGMZFRSUFFQF-UHFFFAOYSA-N 341.407 3.969 0 50 EHAA COc1cc2c(cc1OC)[C@@H](c1cc(Cl)ccc1OC)CC(=O)N2 2469550 AQHWDEXPKDBAJT-NSHDSACASA-N 347.798 3.840 0 50 EHAA O=C(CSc1nc2ccccc2s1)N1CCc2ccccc2C1 2502190 HNQBHDJXUYSMSO-UHFFFAOYSA-N 340.473 3.973 0 50 EHAA Cc1ccc(OCCSc2nc3ccccc3c(=O)[nH]2)cc1C 2897008 ULFHANIAHABPFQ-UHFFFAOYSA-N 326.421 3.711 0 50 EHAA COC(=O)[C@@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 3048604 OZHWPTNVQOKNQW-HNNXBMFYSA-N 347.208 3.979 0 50 EHAA C[C@H](Nc1nc2ccccc2n2nnnc12)C12CC3CC(CC(C3)C1)C2 4744030 QDOPLVBNFJNDPY-PGBBXINNSA-N 348.454 3.689 0 50 EHAA S=C1N=C(c2ccccc2)NCN1c1ccc(Br)cc1 8581396 YDFYWPBKXIXYRB-UHFFFAOYSA-N 346.253 3.548 0 50 EHAA CC(C)c1cc(Br)ccc1NC(=O)CN1CCCCC1 9096029 COTBJGHZPQXGCJ-UHFFFAOYSA-N 339.277 3.997 0 50 EHAA O=C(CCc1ccccc1)N[C@H]1CCCN(C2CCCCCC2)C1 11661419 NPTMKDMCHHXZQH-IBGZPJMESA-N 328.500 3.923 0 50 EHAA CSc1ccc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3)C2)cc1 12315164 DULFDFQZNZJTGT-FQEVSTJZSA-N 344.524 3.747 0 50 EHAA c1ccc(-c2nc3c(c(N4CCN(C5CCCC5)CC4)n2)CCC3)cc1 12387389 ASXFYKWNMRLDEI-UHFFFAOYSA-N 348.494 3.697 0 50 EHAA Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccoc4)C3)C2)c1 15070856 CMVCBJTUTHQXKT-OAQYLSRUSA-N 338.451 3.716 0 50 EHAA Cc1cc(C)cc(NC(=O)[C@H]2CCCN2C(=O)c2cccc(F)c2)c1 20402148 DFBZFVCZPJERPR-GOSISDBHSA-N 340.398 3.686 0 50 EHAA Cc1ccc(C(C)C)c(COC[C@@H](O)CN2C[C@@H](C)C[C@@H](C)C2)c1 33837738 AXXJCUIXRRRGQT-NSHGMRRFSA-N 333.516 3.974 0 50 EHAA Cc1ccsc1CN(CC(C)C)C(=O)c1c(C)nc2ncccn12 55384490 BXWACZFLTKQBCT-UHFFFAOYSA-N 342.468 3.706 0 50 EHAA C[C@H](Cn1ccnc1)NCc1cccnc1Oc1ccc(F)c(F)c1 67908637 VHBDYOAZFRZDNM-CYBMUJFWSA-N 344.365 3.527 0 50 EHAA CCn1nc(C)c([C@@H](C)Nc2nccc(CCC(F)(F)F)n2)c1C 71497613 DZYXZQLPYJPKIX-SNVBAGLBSA-N 341.381 3.978 0 50 EHAA Cc1nc2c(C(=O)N3CCO[C@@H](CCCC(C)C)C3)cccc2[nH]1 71747477 RFXCGXIDCOSCFA-HNNXBMFYSA-N 329.444 3.539 0 50 EHAA COc1cccc(CN2CCC[C@@H](Nc3cnc4ccccc4n3)C2)c1 72406937 CUXLDQFPCQLEGB-QGZVFWFLSA-N 348.450 3.715 0 50 EHAA CC(=O)c1[nH]c(C)c(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c1C 77376515 JRGIMLCYGCUVLR-HNNXBMFYSA-N 328.387 3.603 0 50 EHAA Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)CCc4cccnc4)C3)nc12 82145954 HGRNVKRUMPRMRG-QGZVFWFLSA-N 348.450 3.605 0 50 EHAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)C1C(C)(C)C1(C)C 91966167 VRHNCPMRPMUXTL-ZDUSSCGKSA-N 338.455 3.706 0 50 EHAA CC(C)(C)OC(=O)Nc1cc(Cl)c(Br)cc1CO 96029249 CIGIKSYCFGJWMU-UHFFFAOYSA-N 336.613 3.942 0 50 EHAA COc1ccc(CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1OC 100802471 MYWGABFUFPKNBK-QRWLVFNGSA-N 331.456 3.674 0 50 EHAA Cc1cccc(COc2ccc(NC(=O)C[C@@H]3CCCN3)c(C)c2)c1 155660929 MAOKJOVFJRVEEN-SFHVURJKSA-N 338.451 3.963 0 50 EHAA Cc1cc([C@@H](C)NC(=O)c2cnn(C3CCOCC3)c2C)c(C)s1 158528803 ITVSYFGUDPNEOH-GFCCVEGCSA-N 347.484 3.712 0 50 EHAA COCCN(CC(F)(F)F)C(=O)[C@H](C)c1cc2ccccc2o1 176263420 LMCOOMSULNXRAH-LLVKDONJSA-N 329.318 3.574 0 50 EHAA Cc1cc(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)ccn1 192418739 ZXGYVNKABACSDX-UHFFFAOYSA-N 345.830 3.559 0 50 EHAA COc1ccc2cc(CNC(=O)NC3CCSCC3)ccc2c1 195152168 LXSLBDKYZQYCGL-UHFFFAOYSA-N 330.453 3.543 0 50 EHAA COc1cccc(-c2cccc(C(=O)N3CCCO[C@@H](C)C3)c2)c1 218994298 WMKQCMRNBDSOOY-HNNXBMFYSA-N 325.408 3.613 0 50 EHAA Cc1oc(C(C)C)cc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 222660955 CCHJHWPGBSZPPQ-KRWDZBQOSA-N 342.439 3.928 0 50 EHAA Brc1csc(-c2noc([C@H]3CC34CCOCC4)n2)c1 225466157 MBWTWGSQNOZQFF-SECBINFHSA-N 341.230 3.845 0 50 EHAA Cc1cccc2nc(C(=O)Nc3ccccc3N3C[C@H]4CC[C@H]3C4)cn12 225744530 PIWXUXZOWOWJJJ-HOTGVXAUSA-N 346.434 3.884 0 50 EHAA Cc1ccccc1[C@@H]1CCCN1C[C@@H](O)COCc1cccs1 229506722 UIGAIEDEDLGRPM-APWZRJJASA-N 331.481 3.771 0 50 EHAA CCOc1cc(C)c(S(=O)(=O)N(C)C2CCCCC2)cc1C 230515870 BSCINTBNDUACMR-UHFFFAOYSA-N 325.474 3.655 0 50 EHAA Cc1ccc2ncnc(N3CCC[C@@H]3[C@@H]3C[C@@H](C)CC[C@@H]3O)c2c1 241846674 SMSCARIYNGEJFK-WQCNXYOZSA-N 325.456 3.704 0 50 EHAA CCN(C(=O)C1CCN(C2CC2)CC1)c1ccc(C(F)(F)F)cc1 253392120 NILJHRNEZUHSQB-UHFFFAOYSA-N 340.389 3.933 0 50 EHAA CC[C@H](C)CN(C)C(=O)Nc1cnc2c(Br)cccn12 253426102 YBGWOBSZBKDNIG-JTQLQIEISA-N 339.237 3.607 0 50 EHAA Cc1cc(C)c(C(=O)O)cc1NC(=O)c1cccc([C@H]2CCOC2)c1 263329099 LLRPCSFXOCUUKB-INIZCTEOSA-N 339.391 3.758 0 50 EHAA C[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)CCO1 272131495 VPSUTXWLMMEVFZ-RYUDHWBXSA-N 346.814 3.653 0 50 EHAA CC(=O)c1cc(CC(=O)NCc2ccc3c(c2)CC(C)(C)O3)cs1 299772685 AXUCKVCFODQASI-UHFFFAOYSA-N 343.448 3.523 0 50 EHAA Cn1nc(C2CC2)cc1NC(=O)N1CC[C@@H](c2ccccc2Cl)C1 299799553 RYGQNOMMQOMXAX-CYBMUJFWSA-N 344.846 3.972 0 50 EHAA FCCn1ncnc1CN1CCCC[C@@H]1c1nc2ccccc2s1 328588488 QEWMVNBICAPXSG-CQSZACIVSA-N 345.447 3.585 0 50 EHAA O=C(c1c[nH]c2cccc(Br)c12)N1CCC[C@H]1C1CC1 367195171 HCBYPZJVPGRIOP-AWEZNQCLSA-N 333.229 3.945 0 50 EHAA O=C(c1ccccc1OC1CC1)N1CC2(CCC2)[C@@H]1C1CCOCC1 425638659 WVLLGUYGSLMYPQ-IBGZPJMESA-N 341.451 3.649 0 50 EHAA CCc1oc2c(NC(=O)N(C)Cc3cnn(C)c3)cccc2c1C 426690532 GADKTEKTLCKXFH-UHFFFAOYSA-N 326.400 3.701 0 50 EHAA CSc1cccc(CNC(=O)N(C)[C@@H](C)Cc2cc(C)ccn2)c1 426746092 LVSWHBBKXILAFO-HNNXBMFYSA-N 343.496 3.885 0 50 EHAA CC(C)(C)C1CCC(c2cc(=NC(=O)Cc3cncs3)[nH][nH]2)CC1 438008742 DVTLBZLVKQWGLD-UHFFFAOYSA-N 346.500 3.789 0 50 EHAA CC[C@@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccncc1 453188316 WHYUKPUZIKUNEL-IAGOWNOFSA-N 347.821 3.720 0 50 EHAA CCOc1ccc(Cl)cc1CN(C)C(=O)NCCCn1cccc1 534639305 AXNTVQYEMAOTGT-UHFFFAOYSA-N 349.862 3.772 0 50 EHAA O=C(O)[C@H](c1ccc(F)cc1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 833172943 XSZZRLWGJMJNAH-QYZOEREBSA-N 343.398 3.540 0 50 EHAA CCn1ccnc1/C=C/c1nnc([C@@H]2CCCO[C@H]2C(C)(C)C)o1 886094927 HUXHTZOFKGPOPY-UHBMGKAKSA-N 330.432 3.765 0 50 EHAA Cc1nc([C@@H]2CCCN2c2nc3ccccc3n3cncc23)[nH]c1C 895195900 FZLLFLPAEOPRBR-INIZCTEOSA-N 332.411 3.564 0 50 EHAA Fc1ccccc1Oc1cc(CN[C@H]2[C@H]3OC[C@H]4C[C@@H]2C[C@@H]43)ccn1 926314706 ZAGIVROIBZDRQQ-WJJKDBDQSA-N 340.398 3.526 0 50 EHAA CC(C)Oc1ccc(CN(C)[C@@H](c2ccccn2)C2CC2)cc1CO 952860324 MHCKDWQYMJCRNA-OAQYLSRUSA-N 340.467 3.944 0 50 EHAA O=C(Nc1nccc(-c2ccccc2)n1)[C@H]1CCOC2(CCCC2)C1 1337794350 MIOLIHRKMWALBE-INIZCTEOSA-N 337.423 3.822 0 50 EHAA Cn1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3)cn2)cn1 1463886182 KFBGWZJVRDFBKJ-UHFFFAOYSA-N 328.759 3.513 0 50 EHAA Cc1cc(C)n(C[C@H](C)N(C)Cc2ccccc2CN2CCCC2)n1 1506407817 SCLDRQODGNLUSB-IBGZPJMESA-N 340.515 3.616 0 50 EHAA CCc1nccn1C[C@@H](C)NCCc1cccc(C(F)(F)F)c1 1506415794 AEYCBSSJNWQUPF-CYBMUJFWSA-N 325.378 3.685 0 50 EHAA CSc1ccc2c(C)cc(N[C@@H]3CC(=O)N(C(C)C)C3)nc2c1 1529180634 GBAJSTZUQPJNBO-CYBMUJFWSA-N 329.469 3.686 0 50 EHAA CC(C)(C)OC(=O)N(CC1CC1)c1cc(Br)ccn1 1857777615 YEZDVDSLJPGDDI-UHFFFAOYSA-N 327.222 3.996 0 50 EHAA CC(C)=CCCC(=O)NCCc1nc(-c2ccc(Cl)cc2)n[nH]1 1875278624 PYKDOPPLLDNLFI-UHFFFAOYSA-N 332.835 3.530 0 50 EHAA O=C(O)[C@@H]1CCC2(CCC2)N(Cc2nc3c(s2)CCCCC3)C1 2325798263 AKGWOMJTJLDPSG-CYBMUJFWSA-N 334.485 3.631 0 50 EHAA 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OPYXVJXGSAQQFP-ZBEGNZNMSA-N 333.432 3.692 0 50 EHAA Fc1ccccc1CCOc1cccc(CNC[C@@H]2CCCO2)c1 299765328 MDMDSDCGGMOCRB-IBGZPJMESA-N 329.415 3.716 0 50 EHAA CN(C)c1cccc(-c2cccc(C(=O)NCC[C@@H]3CCOC3)c2)c1 299791569 FMVHAHAMWYFKLT-MRXNPFEDSA-N 338.451 3.576 0 50 EHAA COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1csc(C(C)=O)c1 299800511 XBPYQRSXHAMDCD-QGZVFWFLSA-N 343.448 3.696 0 50 EHAA COc1cccc(C2(NC(=O)c3ccn(C4CCCCC4)n3)CC2)c1 329265837 FWMRYGSBONHUBD-UHFFFAOYSA-N 339.439 3.816 0 50 EHAA COc1ccc2c(c1)[C@H](N)CCN2C(=O)c1ccc(F)cc1Cl 365493000 NUDQWJRDDQBSQC-OAHLLOKOSA-N 334.778 3.538 0 50 EHAA O=C(CCc1ccc(O)nc1)N1C[C@H](c2ccccc2)c2ccccc21 376032080 YLEUQQGAXHKSLX-LJQANCHMSA-N 344.414 3.899 0 50 EHAA Cc1ccc(F)cc1-c1cccc(C(=O)N2CCCC[C@@H]2CN)c1 426705918 WCWILVNDGYXNFC-GOSISDBHSA-N 326.415 3.755 0 50 EHAA O=C(c1ccc(-c2ccccc2)cc1)N1CC2(CCC2)[C@@H]2COC[C@@H]21 458010759 QWJKBPAIMIQEGR-UXHICEINSA-N 333.431 3.995 0 50 EHAA Cc1ccc(S[C@H](C)C(=O)N2CCC(CCC(=O)O)CC2)cc1 538583053 CTABNYBZQOMFTB-CQSZACIVSA-N 335.469 3.579 0 50 EHAA COc1ccc(CN2CC[C@@H](Nc3ccc4[nH]c(C)cc4c3)C2=O)cc1 663298725 BNGYLXUWXDCGKT-HXUWFJFHSA-N 349.434 3.698 0 50 EHAA CC(C)c1nc(C(=O)NC2(CN3CCCC3)CCCCC2)cs1 670474122 JXRDVDXWJOIAJV-UHFFFAOYSA-N 335.517 3.795 0 50 EHAA C[C@H](c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1)N(C)C 901930302 UUILVRUXJQUCAD-CQSZACIVSA-N 347.422 3.757 0 50 EHAA C[C@@]1(NC(=O)c2ncccc2C(F)(F)F)CCOc2ccccc21 906466756 YAZUCWNNRVVTRL-MRXNPFEDSA-N 336.313 3.528 0 50 EHAA CCCc1cnc(C)nc1N1CCC([C@H](O)c2cccs2)CC1 1506424871 CVCBZQDDBCPZQW-KRWDZBQOSA-N 331.485 3.749 0 50 EHAA O=C(Nc1ccccn1)c1nc(-c2ccccc2)oc1N1CCCCC1 1775976062 IOSMXZPWEHHRJQ-UHFFFAOYSA-N 348.406 3.979 0 50 EHAA OC[C@@H](NCc1ccsn1)c1ccc(Cl)cc1C(F)(F)F 1776003081 UMBLUWAXIUTJBO-GFCCVEGCSA-N 336.766 3.639 0 50 EHAA Cc1ccc(-c2nc(-c3cc(C4CC4)n(C)n3)n(-c3ccccn3)n2)o1 1857680069 GFUIAVANVYCIHB-UHFFFAOYSA-N 346.394 3.509 0 50 EHAA Cc1nc(-c2cccs2)ccc1C(=O)N[C@@H]1CCc2ncccc2C1 1875287701 VSWPVQQMRLLDER-OAHLLOKOSA-N 349.459 3.801 0 50 EHAA Cc1cc(N2CCC(Cc3cc[nH]n3)CC2)nc(-c2cccs2)n1 1875330222 SPRKZALTZODSBG-UHFFFAOYSA-N 339.468 3.696 0 50 EHAA O=C(Nc1ccc2c(c1)CCCC2)[C@@H]1CC(c2ccc(F)cc2)=NO1 1875346027 QOSUJBKGUGYWIK-IBGZPJMESA-N 338.382 3.836 0 50 EHAA Cc1cccc(CSc2nnc(-c3ccccc3Cl)n2N)c1 151026 LDPODJOUSYRYEZ-UHFFFAOYSA-N 330.844 3.913 0 50 EHAA CCOc1cc(C(=O)Nc2ccc(C)cn2)cc(OCC)c1OCC 184004 OVLIVONJWOFYAE-UHFFFAOYSA-N 344.411 3.838 0 50 EHAA NNc1nc(-c2ccccc2)nc(-c2ccccc2)c1Br 331494 VTTJSKIAMXNAIU-UHFFFAOYSA-N 341.212 3.859 0 50 EHAA COC(=O)C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 455702 PCMNEKVGXWSCBS-UHFFFAOYSA-N 339.391 3.504 0 50 EHAA CCOc1ccc(/C=C/C(=O)Nc2cc(OC)ccc2OC)cc1 458939 COYHVLISCZHGOR-KPKJPENVSA-N 327.380 3.754 0 50 EHAA Oc1cccc(Nc2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1 572934 PEQMTEMWXRAERG-OAHLLOKOSA-N 336.395 3.670 0 50 EHAA aggregator C[C@@H]1C[C@H](NC(=O)c2cncc(Br)c2)CC(C)(C)C1 860174 OAIGEWRXTPQJMC-MFKMUULPSA-N 325.250 3.789 0 50 EHAA COc1cc(C(=O)Nc2ccccc2SC)cc(OC)c1OC 1735052 VRAYVRCIBZCRAS-UHFFFAOYSA-N 333.409 3.687 0 50 EHAA O=S(=O)(CCSc1ccc(Cl)cc1)Oc1ccccc1 1786849 IMMLGCZMYLYQJU-UHFFFAOYSA-N 328.842 3.841 0 50 EHAA COC(=O)COc1c(-c2ccccc2Cl)oc2ccccc2c1=O 1978804 BGJQOVDAKOKLKZ-UHFFFAOYSA-N 344.750 3.665 0 50 EHAA CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2)c1 2049741 PXZPEGQSRNQGAH-UHFFFAOYSA-N 328.437 3.992 0 50 EHAA CC(C)=C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2559990 IYVIIHAWJFLOAR-UHFFFAOYSA-N 337.375 3.904 0 50 EHAA CCCOc1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1 4551499 YNDXXPRXONPFKO-UHFFFAOYSA-N 340.423 3.564 0 50 EHAA C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3)c2)C[C@@H](C)O1 6730234 NMCNIOMQGHJKDS-HZPDHXFCSA-N 325.408 3.515 0 50 EHAA O=C(Nc1cccc(F)c1)NC1CCN(Cc2ccccc2)CC1 6742648 KZHBSQMIYHCPDG-UHFFFAOYSA-N 327.403 3.612 0 50 EHAA O=C(N[C@H](Cc1ccccc1)n1nnc2ccccc21)c1ccccc1 6885272 DASPYCAGLGTBSW-FQEVSTJZSA-N 342.402 3.603 0 50 EHAA Cc1ccccc1C(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1 11662328 KGVFLIJORYENCN-NRFANRHFSA-N 341.426 3.592 0 50 EHAA CC1CCN(C(=O)C[C@H](c2ccc(O)cc2)c2cccc(O)c2)CC1 11663184 SPHYIFDYSRRMLH-HXUWFJFHSA-N 339.435 3.878 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)nc(C)n1 11880028 PMAGZHDDILOIRT-KRWDZBQOSA-N 341.430 3.718 0 50 EHAA Cc1cc2c(c(-c3ccccn3)c1)O[C@H](CNC(=O)C1=CCCC1)C2 14888162 VGVAOAWNNCJJJO-KRWDZBQOSA-N 334.419 3.587 0 50 EHAA CC(C)(CO)CN[C@@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 14979530 GHAFRJSUKXKNEZ-QGZVFWFLSA-N 345.462 3.633 0 50 EHAA COc1ccc(Cl)cc1-c1nnc2sc(-c3ccco3)nn12 15083131 YREVQXQBJKNKGF-UHFFFAOYSA-N 332.772 3.775 0 50 EHAA O=C(Nc1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1 20522526 COKAKHNLRMWPIU-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA Cc1cnccc1-c1cccc(-c2ccn(C[C@H](O)C(F)(F)F)n2)c1 20536057 WMVJAGIPVXDEGT-KRWDZBQOSA-N 347.340 3.844 0 50 EHAA Cc1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)cc1C 20999676 LCLAFBRCVZLKKF-UHFFFAOYSA-N 332.451 3.620 0 50 EHAA CNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1 38208139 HPIUHDCRVYDAEJ-UHFFFAOYSA-N 330.602 3.651 0 50 EHAA in-vitro CC(C)Cc1ncc(-c2cc(C(=O)N(C)C)c3ccccc3n2)cn1 63846462 LNCISWBVGYRACU-UHFFFAOYSA-N 334.423 3.592 0 50 EHAA Cc1nc(N2CCC[C@H]2c2nc(C(C)C)no2)c2ccsc2n1 63885109 NXLFPOKLGIGKQL-LBPRGKRZSA-N 329.429 3.848 0 50 EHAA COc1cc(C)c(-c2nc(Cn3nc(C)nc3C)c(C)o2)cc1C 67587927 BAIGHABIYIBHIC-UHFFFAOYSA-N 326.400 3.532 0 50 EHAA Cc1cc(N2CCCN(Cc3cc(-c4ccccc4)no3)CC2)ccn1 72174622 QYBONEAATTVXLQ-UHFFFAOYSA-N 348.450 3.757 0 50 EHAA Cc1nc(C(=O)N2CCC[C@H](c3nc4c(C)cccc4[nH]3)C2)cs1 77437868 AYKQOQHETZGGRB-ZDUSSCGKSA-N 340.452 3.656 0 50 EHAA COCCn1ccnc1[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 91620829 RCHRVJQRBDPCAV-CYBMUJFWSA-N 339.892 3.624 0 50 EHAA CCN(C)C1(CNC(=O)C[C@@H]2CCc3ccccc32)CCCCC1 91914763 LTNKHEQFUMSYLW-SFHVURJKSA-N 328.500 3.877 0 50 EHAA CCCN(CCc1ccccc1)C(=O)c1ccc(C(C)C)[nH]c1=O 97480008 PPELBNCNNWOAJL-UHFFFAOYSA-N 326.440 3.593 0 50 EHAA CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cn2)s1 126999246 PITQLNIQOVGDRD-UHFFFAOYSA-N 345.468 3.530 0 50 EHAA CCO[C@@H]1C[C@H](N(C)C(=O)Cc2c[nH]c3cc(F)ccc23)C1(C)C 170636669 OGTJEJLVKISMOW-DLBZAZTESA-N 332.419 3.512 0 50 EHAA O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)[C@H]1CCCOC1 170792253 AJSGVYUTRDTGNK-AWEZNQCLSA-N 346.814 3.679 0 50 EHAA O=C(NCc1ccc(Cl)cn1)N1CCc2c(Cl)cccc2C1 181087533 YCQFGDBAXIUFKL-UHFFFAOYSA-N 336.222 3.656 0 50 EHAA CC(C)c1nnsc1CNC(=O)c1ccc([C@@H]2CCCO2)s1 216412978 AHVBQAKWWNHDFO-JTQLQIEISA-N 337.470 3.505 0 50 EHAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C=C[C@]12C 253592110 WXPAHLRADIKIAI-GNFVNJEZSA-N 332.484 3.955 0 50 EHAA Cc1nc([C@@H]2CCCN(Cc3cccc(C(=O)O)c3)C2)sc1C 263372933 VYQSQZROKCKDIA-MRXNPFEDSA-N 330.453 3.838 0 50 EHAA Cc1cnc(C(C)(C)NC(=O)Nc2nc(C(C)(C)C)ns2)s1 267448178 DYPVOGJQMOKOQT-UHFFFAOYSA-N 339.490 3.657 0 50 EHAA C[C@H]1C[C@@H](CCNC(=O)c2cc(F)ccc2Br)CCO1 273025658 AGPJQHSMYGOIFG-QWRGUYRKSA-N 344.224 3.523 0 50 EHAA CCn1ccnc1[C@H]1CCCCN1C(=O)NCc1sccc1C 281373026 COVSOFLDPQHLST-CQSZACIVSA-N 332.473 3.710 0 50 EHAA Cn1ncc(C(=O)Nc2cccc(-n3ccnc3)c2)c1-c1ccccc1 341889289 NEBQXNBGVDEZAZ-UHFFFAOYSA-N 343.390 3.525 0 50 EHAA C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)CCc1ccncc1 421928507 WYWGFGPQAPWTGI-FQEVSTJZSA-N 326.415 3.777 0 50 EHAA Cc1ccc(N(C)[C@@H]2CCCN(C(=O)CCc3nccs3)C2)cc1 753052706 VEEAEOAVAWUUCU-QGZVFWFLSA-N 343.496 3.512 0 50 EHAA Cc1cc2ccccc2nc1NC[C@H](O)COc1cccc(F)c1 768515102 AHKOYJVSWQSNPB-INIZCTEOSA-N 326.371 3.534 0 50 EHAA CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1scnc1-c1ccc(F)cc1 886041413 RDJQLDXPSUXAPC-ZFWWWQNUSA-N 334.416 3.949 0 50 EHAA Cn1nccc1[C@@H]1CN(Cc2cc(Cl)cc3ccccc23)CCO1 933546371 YXXFJTNQFJHZEA-IBGZPJMESA-N 341.842 3.800 0 50 EHAA C[C@@H]1C[C@H](c2nc(-c3ccc(F)cc3Br)no2)CCO1 952992852 DQARRMYMWMODRP-RKDXNWHRSA-N 341.180 3.921 0 50 EHAA C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1ccc(-n2cccc2)nc1 1266629255 XLKKSMKAHMRVAA-MGPUTAFESA-N 331.419 3.926 0 50 EHAA Clc1cc(Br)ccc1[C@H]1CCCN1Cc1nc[nH]n1 1328971454 MXFYXGBQXZOWAL-GFCCVEGCSA-N 341.640 3.558 0 50 EHAA O=C(c1cnn(-c2ccncc2)c1)N1CCCCC12CCCCCC2 1339291656 UWTGOMFOURZDCG-UHFFFAOYSA-N 338.455 3.986 0 50 EHAA CCCCN(Cc1cccnc1)C(=O)[C@H](O)c1ccccc1Cl 1506400335 DTIIFMSRNJQXQF-QGZVFWFLSA-N 332.831 3.597 0 50 EHAA CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529159374 PLHKGRVQNNLLFS-FXELSEDVSA-N 349.474 3.826 0 50 EHAA c1ccc2c(c1)CCC21CCN(c2nnc(Cc3ccncc3)o2)CC1 1772707452 UKLIBEJUDYGPDV-UHFFFAOYSA-N 346.434 3.540 0 50 EHAA CCc1sc([C@@H](C)NC(=O)c2nc[nH]c2C(F)(F)F)cc1C 1775988057 RKEHUHAYLXCNPY-MRVPVSSYSA-N 331.363 3.852 0 50 EHAA O[C@H]1C[C@@H]2CN(Cc3ccc(OCCc4ccccc4)cc3)C[C@@H]2C1 1800414568 UIWZDENFVDKPLW-AERCQKQUSA-N 337.463 3.511 0 50 EHAA CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21 1857524288 JBIMVDZLSHOPLA-UHFFFAOYSA-N 337.419 3.590 0 50 EHAA Cc1ccc(-c2ccnc(N[C@H]3CCCc4c3c(C)nn4C)n2)c(C)n1 1857681833 OVSPDPAGMTVMTG-KRWDZBQOSA-N 348.454 3.687 0 50 EHAA c1cncc(NCCCn2ccnc2-c2ccc3ncccc3c2)c1 1857703533 UODRGCREGJBIDZ-UHFFFAOYSA-N 329.407 3.996 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2cccc3c2CCC3=O)C[C@H](C2CC2)O1 1857726331 MAACVSWDANCCMJ-FOIQADDNSA-N 341.451 3.625 0 50 EHAA CC(C)(CNC(=O)N1CCCC12CC2)c1c[nH]c2cc(F)ccc12 1875301503 LRCHVGQKRFGEJE-UHFFFAOYSA-N 329.419 3.923 0 50 EHAA COC(=O)c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1OC 1875341383 QRORHPPENCDMKG-UHFFFAOYSA-N 347.411 3.506 0 50 EHAA CC(C)Nc1ncccc1C(=O)Nc1ccc2n[nH]cc2c1Cl 2325861158 HOAMLTPMPOXZRR-UHFFFAOYSA-N 329.791 3.684 0 50 EHAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3cc4ccccc4o3)C1)CC2 2356156907 WFTOVEKPPKYGEL-OAQYLSRUSA-N 347.418 3.651 0 50 EHAA CC(C)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 376396 JDDLXVFZWDPZAQ-UHFFFAOYSA-N 326.415 3.912 0 50 EHAA O=C(Cc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 468995 CVPQOZYVGMAWRA-UHFFFAOYSA-N 336.435 3.930 0 50 EHAA COc1ccc(-c2nnc(OC[C@@H]3CCCO3)c3ccccc23)cc1 542167 NIIPWRJUFLSCDN-INIZCTEOSA-N 336.391 3.863 0 50 EHAA COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(C(C)=O)c2)c1 609344 PAIPCIZWYHSYQB-GFCCVEGCSA-N 342.395 3.789 0 50 EHAA Cc1cccc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)c1C 1786385 NAOGIWALBCOQFE-UHFFFAOYSA-N 341.407 3.872 0 50 EHAA O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccs1 4414550 OGOIDUPUAGOTGU-UHFFFAOYSA-N 335.388 3.881 0 50 EHAA COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC3(C)C)cc1OC 5499952 IFKQUHHKGKTAKS-INIZCTEOSA-N 338.407 3.983 0 50 EHAA COCCC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 11769968 CBWAHLJHKDBRPA-CQSZACIVSA-N 343.389 3.913 0 50 EHAA CC(C)/C=C/CN1CCOc2ccc([C@H](O)c3cccnc3)cc2C1 11790423 RYIRRSBSCSKTAM-FNEOHHHZSA-N 338.451 3.570 0 50 EHAA Cc1ccc(-c2cccc3c2O[C@@H](CNC(=O)[C@H]2CC=CCC2)C3)nc1 12509471 ZHAKVTRJLUBCES-FUHWJXTLSA-N 348.446 3.833 0 50 EHAA Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)s1 20615446 UBTWWXMJCCVXKF-UHFFFAOYSA-N 339.392 3.966 0 50 EHAA O=C(Nc1ccccc1OCCOc1ccccc1)C1CCOCC1 55253107 SFLMSLSDOUWDQN-UHFFFAOYSA-N 341.407 3.510 0 50 EHAA CCCN1CCC(CC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)CC1 65372269 NELMNCIITOTPCA-GOSISDBHSA-N 347.503 3.974 0 50 EHAA Cc1ccc(C)c(NC(=O)CCNCc2ccc3c(c2)C[C@@H](C)O3)c1 65394278 PYHSTPDCYZJJEO-MRXNPFEDSA-N 338.451 3.745 0 50 EHAA Cc1ccc2nc(CN[C@@H](C)c3cn4ccsc4n3)[nH]c2c1C 67803595 XWQAAYIEOQXYLC-LBPRGKRZSA-N 325.441 3.740 0 50 EHAA CO[C@H](C(=O)N(C)Cc1cc(-c2ccccc2)no1)c1ccccc1 72408257 DDLZCQAKDQONIC-IBGZPJMESA-N 336.391 3.688 0 50 EHAA Cc1ccc(N2CCN(C(=O)c3cc4cc(C)ccc4o3)CC2=O)cc1 82096225 KGIMVUMCJCHBLK-UHFFFAOYSA-N 348.402 3.539 0 50 EHAA Cc1nc([C@@H](C)N(C)C(=O)COc2cccc(C)c2C)c(C)s1 91943836 JOBZZEFOVPFBTO-CYBMUJFWSA-N 332.469 3.975 0 50 EHAA CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccc(Cl)cc1)CC2 92003649 VYRQUHRWHAVALL-UHFFFAOYSA-N 349.862 3.596 0 50 EHAA O=C(c1ccc2occc2c1)N1CC[C@@H](Cc2ccc(CO)cc2)C1 95359700 MRBUKSDKGXZVCQ-KRWDZBQOSA-N 335.403 3.630 0 50 EHAA O=C(c1ccc(C[C@@H]2CCOc3ccccc3C2)nc1)N1CCCC1 95519869 MGTJIEOTRJOOEZ-MRXNPFEDSA-N 336.435 3.502 0 50 EHAA Cc1c(CNC(=O)[C@H](C)n2ccnc2C(C)C)oc2ccccc12 95531658 VYVWEOAWKOIISE-AWEZNQCLSA-N 325.412 3.939 0 50 EHAA Cc1nc([C@H]2CCCN2C(=O)c2ccc(OCC3CC3)nc2)cs1 170598725 KNFZCNCSYBJVLB-MRXNPFEDSA-N 343.452 3.613 0 50 EHAA COC(=O)c1ccc(C(=O)Nc2cc3c(cc2Cl)CCC3=O)cc1 191800746 RCFZRRJJZGEKIY-UHFFFAOYSA-N 343.766 3.508 0 50 EHAA CC(C)c1cnc(NC(=O)N2CCO[C@H](c3cccs3)C2)s1 192397321 CUWXVTMKVYBURC-NSHDSACASA-N 337.470 3.933 0 50 EHAA CSC1(CNC(=O)Nc2ccccc2-c2nncn2C(C)C)CC1 193904940 QNYIMYVQTTXOPG-UHFFFAOYSA-N 345.472 3.543 0 50 EHAA CCCCOc1cc(F)ccc1-c1ccc(CN2CCOCC2)cn1 215247072 VWZNNOMPZYXYHX-UHFFFAOYSA-N 344.430 3.899 0 50 EHAA Cc1[nH]c2c(CN3CCN(C4CCSCC4)CC3)cccc2c1C 215995262 BFDUWYLLXOUBKR-UHFFFAOYSA-N 343.540 3.798 0 50 EHAA CCN(Cc1nccn1C)C(=O)c1ccc(-c2ccccc2OC)cc1 223356295 XJPPQYXLEQHFJT-UHFFFAOYSA-N 349.434 3.758 0 50 EHAA CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1csc(CCC(C)C)n1 229561303 FUWMITCYSFAKQE-QZTJIDSGSA-N 349.544 3.707 0 50 EHAA CCSc1ccc([C@H](C)NC(=O)CC2C[C@@H]3CC[C@H](C2)N3)cc1 236947654 VKHSGCHTBALZNY-YTTRVJOFSA-N 332.513 3.897 0 50 EHAA O=C(N[C@H](c1ccccc1)c1ccco1)N[C@@H]1CCC[C@H]2OCC[C@@H]12 246588904 AZBUAYBEJFFDLT-DODZYUBVSA-N 340.423 3.626 0 50 EHAA O=C1C[C@H](c2ccco2)c2c(ccc(C(=O)c3ccccc3)c2O)O1 253402041 FZNZVYLCBYHDJO-CQSZACIVSA-N 334.327 3.657 0 50 EHAA biogenic CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cnc(C3CC3)nc2)s1 295832571 MSQPJFBZKSWHBJ-LLVKDONJSA-N 330.457 3.515 0 50 EHAA Cc1ccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@@H](C)C4)c(C)c1 299738138 BADOKBLEVNPBGC-ZDUSSCGKSA-N 348.402 3.693 0 50 EHAA Cc1ccc([C@@]2(C(=O)N(C)Cc3cc(C4CC4)[nH]n3)CC2(C)C)cc1 299772198 RWMNVMOSIYWYKK-OAQYLSRUSA-N 337.467 3.922 0 50 EHAA CCc1nc(NC(=O)N2CCCC[C@H]2c2nccn2CC)sc1C 369784559 PAVJPWSNTXLOEG-AWEZNQCLSA-N 347.488 3.989 0 50 EHAA Cc1cc(C)c(NC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)c(C)n1 408468156 QCEXMZJEENACGR-INIZCTEOSA-N 341.459 3.726 0 50 EHAA CCc1ccc2occ(C(=O)N3CCC[C@@H]3[C@@H]3CCC[C@H]3O)c2c1 408519926 TWDAAHIBVNVDOJ-BMGDILEWSA-N 327.424 3.761 0 50 EHAA COc1ccc(-c2ccc(C(=O)NCC[C@@H](C)OC)cc2)c(F)c1 426405802 UZUFYSYCFFJZKX-CYBMUJFWSA-N 331.387 3.656 0 50 EHAA O=C1C[C@H](C(=O)NC(c2ccccc2)c2ccccc2)C2(CCCC2)O1 827693816 RLVUMLDEKZKWKG-GOSISDBHSA-N 349.430 3.768 0 50 EHAA O=C(O)C[C@H]1CN(C(=O)C2CCc3ccccc3CC2)c2ccccc21 864228904 SBVXSCNZSITITN-SFHVURJKSA-N 349.430 3.787 0 50 EHAA CC[C@@H](CNc1nc(C(F)(F)F)nc2ccccc12)N1CCCC1 915213114 PBXPCJDKYSXJBO-LBPRGKRZSA-N 338.377 3.935 0 50 EHAA Cc1cc2nc(O)[nH]c2c(NC(=O)Cc2cn(C)c3ccccc23)c1C 952972173 FSYZHBSENKLKRH-UHFFFAOYSA-N 348.406 3.558 0 50 EHAA Clc1ccccc1Cn1nc(-c2ccco2)nc1C1CCNCC1 952989221 UAFHCZXAWVRGJY-UHFFFAOYSA-N 342.830 3.707 0 50 EHAA CN(Cc1cnc(-c2ccccc2)s1)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1529102163 YVPIZBLOEFKXLZ-WNKDZCFJSA-N 328.481 3.791 0 50 EHAA Cc1cc(C(F)(F)F)n(C[C@H](C)CNc2nc(C)ncc2Cl)n1 1772701759 RNQSIYIGKIXDHM-MRVPVSSYSA-N 347.772 3.710 0 50 EHAA CCSCc1nnc2sc(COc3c(C)cccc3C)nn12 1775972184 LLXUQRZWDCZQOD-UHFFFAOYSA-N 334.470 3.635 0 50 EHAA CCOc1ccc(-c2nn3c(CSC(C)C)nnc3s2)cc1 1776110966 BXLNMRSIAUWCOS-UHFFFAOYSA-N 334.470 3.893 0 50 EHAA C[C@H]1[C@H](NC(=O)c2ccccc2Cl)CCCN1Cc1ccccn1 1875302959 PJCYKCPYWLAZQP-KBXCAEBGSA-N 343.858 3.518 0 50 EHAA CNc1cc(-c2ccnn2C2CCOCC2)cc(C(F)(F)F)c1 2325773305 IAKOGSDVAPRIRF-UHFFFAOYSA-N 325.334 3.962 0 50 EHAA CC[C@@H]1CN(c2cc(=N)[nH]c3ccccc23)CCN1Cc1ccccc1 2325819208 KNMGIBLRIGNRRZ-GOSISDBHSA-N 346.478 3.748 0 50 EHAA CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCC2 64388 WSQGLSURUFFUHP-UHFFFAOYSA-N 345.420 3.674 0 50 EHAA Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(CO)c(Cl)c3N2)cc1 226859 ZQQZMXWRKVVNBH-JQWIXIFHSA-N 345.752 3.998 0 50 EHAA COc1cc(C=O)ccc1OCC(=O)Nc1cccc2ccccc12 336064 BCOQAQUQMVEOSC-UHFFFAOYSA-N 335.359 3.678 0 50 EHAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccccc1 384662 OEPIWOIOZJSSHB-UHFFFAOYSA-N 339.844 3.526 0 50 EHAA Cc1cc(C)c2nc(NC(=O)c3ccc4c(c3)OCO4)sc2c1 568449 CMAJMWONJVXVDN-UHFFFAOYSA-N 326.377 3.894 0 50 EHAA CCn1nc(NC(=O)c2ccncc2)c2cc3ccc(C)cc3nc21 1260729 FQMXEKJKLGSGNK-UHFFFAOYSA-N 331.379 3.560 0 50 EHAA CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2ccco2)c1 4196083 VMRZBZCYPVARRE-UHFFFAOYSA-N 334.375 3.804 0 50 EHAA COc1ccc(-c2nnc(SCc3cccc(OC)c3)n2C)cc1 5847355 LKRRVKXVEPFIFV-UHFFFAOYSA-N 341.436 3.792 0 50 EHAA O=C(Nc1ccccc1C(F)(F)F)c1cccc(-n2cnnc2)c1 6703605 DLPCYGCQGXZHQO-UHFFFAOYSA-N 332.285 3.538 0 50 EHAA Cc1cc(C)c(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c(C)c1 10314503 YGRCEYSGFOLWFB-UHFFFAOYSA-N 346.452 3.544 0 50 EHAA Oc1ccc(CC[C@@H]2CCCCN2Cc2nc(C3CC3)no2)cc1 11843520 BHAIZLZHMWXNKM-INIZCTEOSA-N 327.428 3.640 0 50 EHAA Cc1ccccc1-c1cccc(-c2ccn(CCN3CCOCC3)n2)c1 19225482 JZIXTAZSVWULJU-UHFFFAOYSA-N 347.462 3.858 0 50 EHAA Cc1ccc(-c2n[nH]c3c2CN(Cc2cc(C(C)(C)C)[nH]n2)CC3)cc1 20917955 FBAVQOXNJYPXPQ-UHFFFAOYSA-N 349.482 3.964 0 50 EHAA Brc1ccccc1CNCCc1ccc2c(c1)OCO2 23402601 YGMFNQUHIVIHAR-UHFFFAOYSA-N 334.213 3.510 0 50 EHAA O=C(NCc1ccc(Cl)cc1)c1ccc(Cn2ccnc2)cc1 32912957 UXLSZSUIQRILRW-UHFFFAOYSA-N 325.799 3.515 0 50 EHAA Cc1cc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)no1 36359035 CSFHHECNXCSEJQ-UHFFFAOYSA-N 342.424 3.696 0 50 EHAA CCN(Cc1noc(CC(C)C)n1)Cc1ccc(-c2cc[nH]n2)s1 55224866 CMCREHQNUUYFTD-UHFFFAOYSA-N 345.472 3.742 0 50 EHAA COc1cccc(-c2nc3ccccc3n2C)c1OCCn1ccnc1 63834321 VJSNGOUMSQWKKM-UHFFFAOYSA-N 348.406 3.524 0 50 EHAA COc1ccc([C@@H]2CCCCN2Cc2ncccc2C(=O)O)cc1 65381569 FUZPLLFKRRNDDA-SFHVURJKSA-N 326.396 3.516 0 50 EHAA Cc1cc(CNc2nc(C3CCCC3)nc3c2cnn3C)cnc1C 72132898 DPRNZMONDGRVOH-UHFFFAOYSA-N 336.443 3.645 0 50 EHAA CCn1cc(CN2CCC[C@H](c3[nH]ncc3-c3ccc(C)cc3)C2)cn1 77322117 FZPMJHLMTOZMDC-IBGZPJMESA-N 349.482 3.981 0 50 EHAA CC(C)c1noc([C@@H]2CCCN2Cc2noc(C3CCCC3)n2)n1 77470923 GRPGQALYQBNWML-ZDUSSCGKSA-N 331.420 3.571 0 50 EHAA CN(CCc1cnn(C)c1)C(=O)c1ccc(-c2ccccc2Cl)o1 91381638 CZQACWLIPLMXOC-UHFFFAOYSA-N 343.814 3.648 0 50 EHAA COc1cccc(-c2ncc(-c3cn(Cc4ccccn4)nn3)s2)c1 92037469 SIJRVGHYSGMJTA-UHFFFAOYSA-N 349.419 3.521 0 50 EHAA O=C([C@@H]1CCc2ccccc21)N1CCC(c2nccn2CC2CC2)CC1 95523730 ZSWHYROSRDJCSW-HXUWFJFHSA-N 349.478 3.729 0 50 EHAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 97610232 ZAVSKPOGPNWWLT-CQSZACIVSA-N 335.407 3.750 0 50 EHAA Cc1ccccc1[C@H](C)Cc1nc(CC(=O)NC2CCCCC2)no1 116603917 WXAHJKCNMDNPQJ-OAHLLOKOSA-N 341.455 3.716 0 50 EHAA CCc1noc([C@H](C)Nc2cnn(-c3cc(C)ccc3C)c2C)n1 126693749 GNFYOZQYMUHVIQ-ZDUSSCGKSA-N 325.416 3.916 0 50 EHAA CC(C)[C@@H](NCCc1nnc2ccccn12)c1ccc(F)c(F)c1 170073211 GJKUXAQPMKHNJD-GOSISDBHSA-N 330.382 3.537 0 50 EHAA CCOc1ccc2c(c1)CN([C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C)CC2 170599691 ZGQBSWBLSUUESJ-RZQQEMMASA-N 344.499 3.527 0 50 EHAA C[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc23)CCCO1 171047321 PVHRRFNTCVGWPW-CYBMUJFWSA-N 325.437 3.974 0 50 EHAA CC(C)(C)n1cc(NC(=O)N[C@@H]2CCCOc3c(F)cccc32)cn1 181764506 KCPRZARUNZUBAI-OAHLLOKOSA-N 346.406 3.813 0 50 EHAA COc1ccccc1CN(C)Cc1cc(CN2CCCC2)cs1 219328787 SMIHSZJQANMAFG-UHFFFAOYSA-N 330.497 3.985 0 50 EHAA CCn1cc(CNC(=O)c2cccc(-c3ccccc3OC)c2)c(C)n1 219784888 ZGNKUKMXQUVYNM-UHFFFAOYSA-N 349.434 3.817 0 50 EHAA Cc1cc([C@@H]2CCCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)C2)n[nH]1 229924517 NJJMOYFLHPJGRP-BFHYXJOUSA-N 343.393 3.793 0 50 EHAA O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cncc(Br)c1 241897217 TWPCBXVMDDVSDE-TYNCELHUSA-N 337.261 3.933 0 50 EHAA c1ccc(Cn2cncc2CN2CCc3[nH]c4ccccc4c3C2)cc1 244678567 IFYCFYSERHHHKO-UHFFFAOYSA-N 342.446 3.971 0 50 EHAA CC(C)c1noc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)cc12 248153778 CNUMSGGFUUICDC-DOFKHENGSA-N 339.439 3.901 0 50 EHAA FC(F)(F)c1ccnc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c1 277267583 RVIVAKFYYVTETN-LLVKDONJSA-N 338.333 3.745 0 50 EHAA CC(C)n1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 280662548 DJZQAAVTIITFKR-ZIAGYGMSSA-N 348.472 3.646 0 50 EHAA CCOC1CC(c2nc(-c3ccc(CN4CCCC4)cc3)no2)C1 290132165 HDGZMEWYOJUMHR-UHFFFAOYSA-N 327.428 3.615 0 50 EHAA Cc1ccccc1-c1cc(NC(=O)N2CCC(F)(F)[C@@H](C)C2)n(C)n1 290357608 LBGQJRSBORGYIH-ZDUSSCGKSA-N 348.397 3.905 0 50 EHAA Cc1nnc(CN2CC[C@@H](c3cccc(Oc4ccccc4)c3)C2)n1C 369838249 RUJNUQYVHOHHCW-GOSISDBHSA-N 348.450 3.905 0 50 EHAA COc1ccc(-c2ccc(C(=O)N3CCCCCC3)cc2)cc1CO 426388588 VRPSMWNYIPSZPM-UHFFFAOYSA-N 339.435 3.871 0 50 EHAA CC(C)CC1(NC(=O)N(C)Cc2cc(-c3cccs3)n[nH]2)CC1 534577708 PLWYFDLGXQPTFJ-UHFFFAOYSA-N 332.473 3.858 0 50 EHAA CC(C)n1ncnc1-c1ccc(C(=O)N(C)Cc2cccs2)cc1 534655977 JZUROVKZPZEMKY-UHFFFAOYSA-N 340.452 3.860 0 50 EHAA COc1ccc(/C=C2/SC(=O)N(C(=O)c3ccccc3)C2=O)cc1 670416563 OTVQUJSIDCSLKX-RVDMUPIBSA-N 339.372 3.572 0 50 EHAA O=C(O)Cc1cccc(C(=O)NC2CC(c3cccc(Cl)c3)C2)c1 836740222 MHCOGAXCDCRARD-UHFFFAOYSA-N 343.810 3.643 0 50 EHAA OCC1(CNc2nc(-c3ccccn3)nc3sccc23)CCCC1 858485785 PZOUVIQIZLKWIE-UHFFFAOYSA-N 340.452 3.718 0 50 EHAA CCc1ccc(CN(C)C(=O)C(C)(C)Nc2ccc(OC)cc2)nc1 952971990 ALERZFKXSDDIFU-UHFFFAOYSA-N 341.455 3.502 0 50 EHAA Cc1ccc(N(C(=O)c2cc(C3CC3)nn2C)C2CCCCC2)nc1 1776000052 XWRZHGFACYHBNF-UHFFFAOYSA-N 338.455 3.980 0 50 EHAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cccc(C(F)(F)F)c1 1857670306 GYASXJZOZMBHOS-WOSRLPQWSA-N 341.329 3.563 0 50 EHAA Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2[C@](Cc2ccccc2)(C(=O)O)C3)cc1 1857700015 ITODJJVLRANBHM-NNMXDRDESA-N 349.430 3.686 0 50 EHAA CO[C@@H](C)Cn1ccnc1-c1ccc(-c2ccc(F)cn2)cc1F 2356157179 CWIIYRCVQQBIFE-LBPRGKRZSA-N 329.350 3.925 0 50 EHAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 195250 DBUKZJAFSPINOZ-CYBMUJFWSA-N 343.210 3.527 0 50 EHAA COc1cccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1 342107 IOHFLROKZMJSGZ-UHFFFAOYSA-N 344.436 3.609 0 50 EHAA CC1=C(c2ccccc2)N(C(=O)Cc2ccccc2)NC(=S)S1 389435 ZWYPJDQZHBXMHJ-UHFFFAOYSA-N 340.473 3.983 0 50 EHAA COc1ccc([C@H](C)NC(=O)Cc2ccc(Br)cc2)cc1 476567 OQRQYVPXGWFUTF-LBPRGKRZSA-N 348.240 3.878 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2ncccc2C)c2ccccc12 781585 IJQVLMCYHBBANM-UHFFFAOYSA-N 342.420 3.743 0 50 EHAA CCc1ccccc1NS(=O)(=O)c1ccc(OC)c2ncccc12 1446054 MAQGDWHIJCGOMS-UHFFFAOYSA-N 342.420 3.607 0 50 EHAA C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Br 2695293 VQXVBMDJNYKKTM-JTQLQIEISA-N 338.176 3.994 0 50 EHAA COc1ccccc1OCCNC(=O)c1ccc(F)c2ccccc12 2870317 JNFIVYLYJLORDO-UHFFFAOYSA-N 339.366 3.796 0 50 EHAA CC[C@H](C)[C@H](NCCC(=O)c1ccc(OCCC(C)C)cc1)C(=O)O 2922133 IFMZGOYCCXGBOU-KXBFYZLASA-N 349.471 3.773 0 50 EHAA CCN(CC)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 4837468 GVRBUCUPANHIAQ-UHFFFAOYSA-N 344.842 3.851 0 50 EHAA O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccccn2)cc1 4872844 IGCJFDMUGJLGND-UHFFFAOYSA-N 331.375 3.515 0 50 EHAA O=C1NCCC[C@@H]1C(=O)c1cc(-c2ccccc2)nc2ccccc12 6658267 DUBNSSUDEYAZCQ-MRXNPFEDSA-N 330.387 3.611 0 50 EHAA CCc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2Cl)cc1 6702672 HRIHURWTNFYSTC-UHFFFAOYSA-N 326.787 3.735 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)n2c(nc3ccccc32)N1 8739098 UQTVVVUZAOFLSQ-SFHVURJKSA-N 348.406 3.672 0 50 EHAA Cc1cc(CN[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)[nH]n1 11817920 ZXKDXUOOUXCXRR-GOSISDBHSA-N 335.455 3.688 0 50 EHAA c1cncc(CCCNc2nncc(-c3cc4ccccc4o3)n2)c1 12318993 VPRZYTVKVMWFSP-UHFFFAOYSA-N 331.379 3.725 0 50 EHAA O=C(N[C@@H]1CCCN(CCCc2ccccc2)C1)C1=CCCCC1 12479713 YOXDMGHZAOCJQA-HXUWFJFHSA-N 326.484 3.700 0 50 EHAA O[C@@H](CNCCc1ccccc1)COc1ccc(Cl)cc1Cl 16667259 GLJKARWGODVVFI-HNNXBMFYSA-N 340.250 3.565 0 50 EHAA NC(=O)c1cc(NC(=O)c2cc3ccccc3cc2O)ccc1Cl 19809287 PDKAXDCKXVVPLW-UHFFFAOYSA-N 340.766 3.550 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@@H](COc2ccc(C(F)(F)F)cn2)C1 39954481 XYYRSKIJXAGXNV-LLVKDONJSA-N 346.349 3.736 0 50 EHAA CCCc1cc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)ccn1 67868200 ADNVTHHHWLSKQG-GOSISDBHSA-N 344.842 3.901 0 50 EHAA c1cncc(CO[C@H]2CCCN(c3nccc(C4CCCC4)n3)C2)c1 71661367 JTYPXRJAACFMTA-SFHVURJKSA-N 338.455 3.715 0 50 EHAA CCCn1ccnc1[C@@H]1c2nc[nH]c2CCN1Cc1sccc1C 72428548 UWQFZQSWLLCDPU-KRWDZBQOSA-N 341.484 3.534 0 50 EHAA CC(C)Cc1cc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)n(C)n1 82155808 XGZWSZQRZWSZGT-AWEZNQCLSA-N 345.874 3.902 0 50 EHAA CC(C)n1ccnc1C1CCN(C(=O)CCOc2ccccc2)CC1 91364759 OSCWKUUDUNMNPE-UHFFFAOYSA-N 341.455 3.639 0 50 EHAA O=C(c1cc(=O)[nH]c2ccccc12)N(C/C=C/c1ccccc1)C1CC1 91476258 QUABOWZNNJZJFL-RMKNXTFCSA-N 344.414 3.846 0 50 EHAA CN(Cc1cccnc1Cl)C(=O)c1ccc([C@H]2CCCO2)s1 91952302 QXWVFMRIWVJWFH-GFCCVEGCSA-N 336.844 3.920 0 50 EHAA CSCCCNC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95363549 MCULFCXVBNCURE-UHFFFAOYSA-N 343.427 3.623 0 50 EHAA CCCc1cnc(C)nc1N1CCC[C@@H](c2nccn2C(C)C)C1 95390992 SWHGUYGZNBXVMT-QGZVFWFLSA-N 327.476 3.899 0 50 EHAA COC[C@H](NC(=O)c1c(C)c(C)nc2ccc(C)cc12)c1ccccn1 95507705 GNEFJIRNFVWBFD-IBGZPJMESA-N 349.434 3.673 0 50 EHAA Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1ccc(-c2cc[nH]n2)cc1 123615160 TWTQYUNQYICDRQ-NSHDSACASA-N 339.399 3.607 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N[C@H]1CCCN(C2CCCCC2)C1 129149388 YHAXPFCILJEMOL-HNNXBMFYSA-N 346.475 3.779 0 50 EHAA Cc1ccc(N[C@@H](C)c2nccn2C)cc1OCC1CCOCC1 182268627 KTIGISAAADURBQ-HNNXBMFYSA-N 329.444 3.707 0 50 EHAA Cn1ccc2cccc(NC(=O)N3CCO[C@@H](c4cccs4)C3)c21 190016709 YWASXLFQKQYTCN-OAHLLOKOSA-N 341.436 3.845 0 50 EHAA Cc1nc2ccc(C(=O)N(C)[C@@H](C)c3c(C)nn(C)c3C)cc2s1 216022096 ISEGAUUHTAIKGX-NSHDSACASA-N 342.468 3.788 0 50 EHAA Cc1ccc(OC2CN(C(=O)CCCOCc3ccccc3)C2)cc1 221301948 HHXMVYKMGVFXMA-UHFFFAOYSA-N 339.435 3.582 0 50 EHAA Cc1nc(NOCC(C)(C)O)c2cc(-c3ccccc3)sc2n1 225532139 OMIFQYSLRLSWDB-UHFFFAOYSA-N 329.425 3.781 0 50 EHAA CSc1ccccc1NC(=O)CN(C)c1cccc(F)c1C(C)=O 225592338 XEVRLUZVEKKITC-UHFFFAOYSA-N 346.427 3.825 0 50 EHAA C[C@H](NC(=O)CCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1 226320012 HRPBGSBBNLAMOW-MUQADHOPSA-N 330.472 3.585 0 50 EHAA O=C(CC1C[C@@H]2CC[C@H](C1)N2)Nc1ccc(OC2CCCC2)cc1 237898443 LPYHKKYKMHEDND-ZXFUBFMLSA-N 328.456 3.867 0 50 EHAA COc1ccccc1[C@@H](C)NC(=O)CN1CCc2sccc2[C@H]1C 252444213 SJHNVOVXDVJUNX-ZIAGYGMSSA-N 344.480 3.553 0 50 EHAA CC(C)(C)[C@H](COc1ccccc1F)NC(=O)Nc1ccncc1 261460498 LUCKJUXMIGJQCZ-INIZCTEOSA-N 331.391 3.836 0 50 EHAA Cn1cc(C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cn1 267150914 RMWOCAOQSXOEKZ-UHFFFAOYSA-N 338.238 3.747 0 50 EHAA CC(C)(C)OC(=O)NCCC[C@H](NCc1ccon1)c1ccccc1 289697737 BQCZSCGLGBWIHH-KRWDZBQOSA-N 345.443 3.810 0 50 EHAA O=C1CCCN1Cc1cccc(CNc2ccc3ccccc3n2)c1 301130175 ZZRJRXMKFDGKHL-UHFFFAOYSA-N 331.419 3.969 0 50 EHAA CC1(C)CCc2cc(CN3C[C@@H]4CCC[C@@H]4[C@H]3C(=N)O)ccc2O1 329953394 NFQZJRAYQOEHMJ-BQFCYCMXSA-N 328.456 3.926 0 50 EHAA Cc1sc2nc(-c3ccncn3)nc(O)c2c1-c1ccc(F)cc1 345353170 SCILTUASNFBQPA-UHFFFAOYSA-N 338.367 3.968 0 50 EHAA C[C@@H](NC(=O)c1ccc(N(C)C)cn1)c1ccc(-c2cccnc2)cc1 358532739 HIPGPVKAEFXIAG-OAHLLOKOSA-N 346.434 3.701 0 50 EHAA CNC(=O)CSC[C@@H]1CCCO[C@H]1c1ccc(C(F)(F)F)cc1 408518602 PQVONYQLZWNNDI-WFASDCNBSA-N 347.402 3.652 0 50 EHAA COc1cc(F)c(Br)cc1NC(=O)C1=C(C)OCCC1 408521733 QTNHVSJTSPKZFC-UHFFFAOYSA-N 344.180 3.620 0 50 EHAA COc1ccc2c(C(=O)N[C@H](C)c3csc(C)n3)cc(C)nc2c1 426535306 YQKBJAIOGZSKEJ-LLVKDONJSA-N 341.436 3.808 0 50 EHAA O=C(O)c1cc(F)ccc1CN1CCC(Oc2ccc(F)cc2)CC1 652404273 BWSGGGIFENFSBL-UHFFFAOYSA-N 347.361 3.706 0 50 EHAA CCc1noc(C)c1C(=O)Nc1ccc2c(c1)nc(CC)n2CC 823565717 XBAGDKJOCNEIIG-UHFFFAOYSA-N 326.400 3.730 0 50 EHAA C[C@@H]1CCC[C@H](C(=O)O)N1Cc1csc(-c2ccc(F)cc2)n1 826595270 BQIKAXCXRRKLRZ-IAQYHMDHSA-N 334.416 3.777 0 50 EHAA C[C@]1(C(F)(F)F)CCN(C(=O)c2cccc(C(F)(F)F)n2)C1 874475970 VJROHLIRISHJBL-NSHDSACASA-N 326.240 3.515 0 50 EHAA O=C(Cc1ccc2c[nH]nc2c1)N[C@@H]1CC[C@H](c2ccccc2F)C1 885828198 YYBLWFHJPKSWQA-GOEBONIOSA-N 337.398 3.697 0 50 EHAA CNc1ccccc1CN[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1 902603957 JYZSAAFBTXOGEK-TZIWHRDSSA-N 348.450 3.534 0 50 EHAA CC[C@H]1CN(C(=O)C2(Nc3ccc(C)cc3)CCCCC2)CCO1 1506405119 CCFKGHIACQWDCS-SFHVURJKSA-N 330.472 3.747 0 50 EHAA CCCSCc1nnc2sc(Cc3c[nH]c4ccccc34)nn12 1776110970 CONZJNNQMAVCRS-UHFFFAOYSA-N 343.481 3.901 0 50 EHAA O=C(Cc1cc(Br)cs1)N1CC=C(c2ccccc2)C1 1875340610 KGTHZHLSVROQKO-UHFFFAOYSA-N 348.265 3.979 0 50 EHAA C=CC(=O)N(Cc1cc(C)cc2c(C)c(C)[nH]c12)CC1(C)COC1 1875382511 DUXMENSALGMGKZ-UHFFFAOYSA-N 326.440 3.644 0 50 EHAA CCc1ccc(NC(=O)CSCc2ccc(C(=O)O)cc2)cc1 148714 QFBRKYVORNMEDM-UHFFFAOYSA-N 329.421 3.819 0 50 EHAA COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3[nH]2)CC1=O 252339 BSIQYUWGBHHCBV-NSHDSACASA-N 341.798 3.745 0 50 EHAA COc1ccc(C(=O)Oc2cccc3c(OC)ccc(C=O)c23)cc1 446180 SLOTYEZBXZBEGI-UHFFFAOYSA-N 336.343 3.889 0 50 EHAA CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)O 470691 DMEWCKZDQSPRHP-CYBMUJFWSA-N 327.380 3.916 0 50 EHAA CC(C)(C)[C@H](O)[C@@H](Oc1ccc(-c2ccccc2)cc1)n1cncn1 967749 VGPIBGGRCVEHQZ-RTBURBONSA-N 337.423 3.930 0 50 EHAA biogenic,in-vitro CCCC1=NN(C(=O)c2ccc(C)cc2Cl)[C@@](O)(C(F)(F)F)C1 1122992 SLPUAPFBTBTNAZ-AWEZNQCLSA-N 348.752 3.901 0 50 EHAA CCCCOc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 1787833 XVVFHQQKCCWZKF-SFHVURJKSA-N 327.380 3.644 0 50 EHAA Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)o1 3475057 DQBAXMYBVXITCO-UHFFFAOYSA-N 331.422 3.837 0 50 EHAA Cc1c(C(=O)Nc2ccccc2C(F)(F)F)nnn1-c1ccccc1 5033414 DCSBVUSBJTVBKW-UHFFFAOYSA-N 346.312 3.847 0 50 EHAA Cc1ccnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1 6391777 HSXQBSRGQJETMD-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA Cc1cc2oc(Br)c(CC(=O)N(C)C)c2cc1Cl 6702696 OGTMXEJAJJFICF-UHFFFAOYSA-N 330.609 3.788 0 50 EHAA CSCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C 12072355 CSFMWGUKSHHXJD-HNNXBMFYSA-N 343.496 3.673 0 50 EHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)CC(C)C)C1 12072581 BYANXCRIJSHEPI-FQEVSTJZSA-N 349.446 3.586 0 50 EHAA CCCOc1ccc(C(=O)NCc2cccnc2)cc1Br 12404460 ATFLBKYAJXJGMB-UHFFFAOYSA-N 349.228 3.563 0 50 EHAA COc1cccc(C(=O)[C@H]2CCCN(Cc3cnn(C(C)C)c3)C2)c1 12715143 RXYBJHRVMSZWJT-SFHVURJKSA-N 341.455 3.568 0 50 EHAA COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3ccccn3)C2)cc1C 13595552 ITOLHAUUQSTUHF-QGZVFWFLSA-N 338.451 3.802 0 50 EHAA COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 16091130 DRIYSYFYGSZQNC-GOSISDBHSA-N 331.437 3.529 0 50 EHAA O=C(Cc1noc(-c2ccncc2)n1)Nc1cc(Cl)cc(Cl)c1 16579568 LIMHHSSTHDLDPY-UHFFFAOYSA-N 349.177 3.620 0 50 EHAA C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3)cc2)C[C@@H](C)O1 18149128 NETOYMOKAKXFFR-IYBDPMFKSA-N 325.408 3.515 0 50 EHAA CN(C(=O)c1ccc(CN2CCCCC2)cc1)C1Cc2ccccc2C1 55627280 HKMLKNZKQYEVDX-UHFFFAOYSA-N 348.490 3.912 0 50 EHAA c1cn(CCCn2ccnc2-c2ccc([C@@H]3CCCCO3)o2)cn1 67740200 FSTTZGPBSRKDOA-HNNXBMFYSA-N 326.400 3.672 0 50 EHAA O=C(Cc1cccc(Cl)c1)Nc1ccc(N2CCCC2=O)cc1 67793386 PBDLCEAWKGIBTL-UHFFFAOYSA-N 328.799 3.648 0 50 EHAA CCCn1nccc1C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71762970 MYZSNUSGNABYRG-QGZVFWFLSA-N 343.446 3.917 0 50 EHAA Cc1c(CNC(=O)c2ccc([C@H]3CCNC3)cc2)oc2ccccc12 72129016 WQKKXTHADLGNOQ-KRWDZBQOSA-N 334.419 3.748 0 50 EHAA COc1cccc([C@H]2CCCCN2Cc2[nH]cc(C)c(=O)c2C)c1 72130842 JKBRPPBKQWYFSL-LJQANCHMSA-N 326.440 3.728 0 50 EHAA CCCCN(Cc1cccnc1)C(=O)c1ccccc1[C@H]1CCNC1 72150757 KQPHATJVMJFLOG-SFHVURJKSA-N 337.467 3.601 0 50 EHAA CC(C)(C)C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72411958 LMKAUBSBGXLIIO-UHFFFAOYSA-N 329.362 3.562 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)nc1 72419070 AXQDXTPCTDNHGC-OAHLLOKOSA-N 326.440 3.585 0 50 EHAA Cc1cc2nc(C(C)C)cc(NCc3ccc(CN(C)C)cc3)n2n1 72463860 OCFBADXPIJMMKA-UHFFFAOYSA-N 337.471 3.835 0 50 EHAA Cc1cccc([C@H]2CCCN(C(=O)c3ccc(Cn4cccn4)o3)C2)c1 77304064 GYBBHNSYEWIHGT-SFHVURJKSA-N 349.434 3.853 0 50 EHAA O=C(Cc1ccc(CO)cc1)N1CCCC[C@@H]1c1cccc(F)c1 77375862 VLQJESNQOGICNK-LJQANCHMSA-N 327.399 3.614 0 50 EHAA CCOCCn1nc(C)cc1C(=O)N1CCCCC[C@H]1c1ccco1 82092481 XIXSPIAOQBELEY-INIZCTEOSA-N 345.443 3.579 0 50 EHAA Cc1ccc(S[C@H](C)C(=O)NCCCc2c(C)noc2C)cc1 84804792 ASMFQZQIMIMHOW-OAHLLOKOSA-N 332.469 3.829 0 50 EHAA CCCC(=O)C(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C 91713512 SPCAJWHGVNJYPJ-CQSZACIVSA-N 349.434 3.880 0 50 EHAA CCN(CC1CCOCC1)C(=O)COc1ccc(Cl)cc1Cl 91808767 YXHGIKJZBBXYMX-UHFFFAOYSA-N 346.254 3.647 0 50 EHAA CC[C@H](NC(=O)Cc1c(C)[nH]c2c(C)cc(C)cc12)c1nc(C)c[nH]1 92028428 QTCOMOLMXMXUOI-KRWDZBQOSA-N 338.455 3.935 0 50 EHAA Cc1cc(C)n([C@@H]2CCN(C(=O)c3cc4c(s3)CCCC4)C2)n1 92107082 TYKSBZRGWANKMB-OAHLLOKOSA-N 329.469 3.527 0 50 EHAA CCc1nn(C)c(NC(=O)N2CC[C@H](c3ccccc3F)C2)c1CC 95519773 LKINHGYLTSXKBD-ZDUSSCGKSA-N 344.434 3.705 0 50 EHAA CN(C(=O)Nc1ccc2c(c1)COC2=O)[C@H]1CCCc2ccccc21 96149044 KSWFFPCCCVLQML-SFHVURJKSA-N 336.391 3.898 0 50 EHAA Clc1cc(-c2nc3c([nH]2)CCNC3)ccc1OCc1ccccc1 97785533 XQVMUTSTSCBFDB-UHFFFAOYSA-N 339.826 3.955 0 50 EHAA O=C(Nc1ccc(Cl)cn1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 157925929 CFJMOJAVBYYZLJ-HUUCEWRRSA-N 331.803 3.777 0 50 EHAA CCN1c2cc(C(=O)Nc3ccccc3)ccc2C(=O)N2CCCC[C@H]21 169780556 CZJBODBUXMRPEA-IBGZPJMESA-N 349.434 3.731 0 50 EHAA Cn1ncnc1CN[C@H](c1ccccc1)[C@H]1CCCc2ccccc21 181242698 XZSWLTDWDSWDGB-PZJWPPBQSA-N 332.451 3.766 0 50 EHAA CC[C@@H](CN(CC)C(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1 187411722 QGNLJKBXGGDXON-KRWDZBQOSA-N 348.450 3.923 0 50 EHAA CCO[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 193895221 NPUXIPJNGHNSPJ-LJQANCHMSA-N 338.407 3.530 0 50 EHAA CN(Cc1cnc(-c2cccs2)nc1)Cc1noc2c1CCCC2 215173367 YWBSGXQOEQOLHI-UHFFFAOYSA-N 340.452 3.704 0 50 EHAA CCCN1CCN(Cc2cnc(-c3ccc4ccccc4c3)nc2)CC1 215934395 FCAGSSXRMZUOGU-UHFFFAOYSA-N 346.478 3.824 0 50 EHAA Cc1ccnc([C@H](NC(=O)c2cnn(Cc3ccccc3)c2)C2CC2)c1 216030596 FXZLSBDYISANPV-HXUWFJFHSA-N 346.434 3.516 0 50 EHAA Cc1ccc(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)s1 220750493 AXSIVYKMDMDSDI-GOSISDBHSA-N 328.481 3.727 0 50 EHAA C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@@H](Cc2ccncc2)C1 222291204 CJUATAKIBQBBEQ-WBVHZDCISA-N 334.423 3.757 0 50 EHAA Cc1nc(N2C[C@H](C)C[C@@H](C)C2)nc2c1C(=O)C[C@H](c1ccco1)C2 229929779 GGRUSMFPYLLBGF-UMVBOHGHSA-N 339.439 3.773 0 50 EHAA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(Cc4ccncc4)cc3)C(=O)[C@H]2C1 239402978 RJHNCKCYNUVAMZ-CCKFTAQKSA-N 334.419 3.598 0 50 EHAA CCn1ccnc1[C@H]1CCCCN1C(=O)CSc1ccccc1 242389554 ZYGLZOJNMCMRHT-MRXNPFEDSA-N 329.469 3.749 0 50 EHAA Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2S(C)(=O)=O)cc1 252499931 SJJNZEUNMLOFLO-KRWDZBQOSA-N 348.855 3.759 0 50 EHAA CO[C@@H]1CCC[C@@H](CC(=O)Nc2ccccc2-n2nccc2C)C1 281590399 NERLBVZUOVJPKM-HZPDHXFCSA-N 327.428 3.715 0 50 EHAA CC1(C)CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)[C@@H]1C1CC1 291142266 PDUMCOLPSXTGKR-QGZVFWFLSA-N 328.387 3.670 0 50 EHAA Cc1ccnc(-c2csc(-c3ccc(S(C)(=O)=O)cc3)n2)c1 328593494 BDKBOQLLVCHMCH-UHFFFAOYSA-N 330.434 3.584 0 50 EHAA CC(C)c1ccoc1C(=O)N1CCC[C@](CO)(c2ccccc2)C1 375304058 UJPUPAOTJIGPIF-FQEVSTJZSA-N 327.424 3.569 0 50 EHAA COc1ccccc1-c1nc(CN2CCC[C@@H](CCO)CC2)cs1 421039544 MMQWLUMGGSNBCV-OAHLLOKOSA-N 346.496 3.803 0 50 EHAA CCN(Cc1c(F)cccc1Cl)c1cc([C@H]2CCOC2)ncn1 426537801 WRCHHIFSRZESKP-LBPRGKRZSA-N 335.810 3.800 0 50 EHAA Cc1cc(F)cc(C(=O)N2CCC(c3ccccc3C(=O)O)CC2)c1 682185756 MROLDBQLFORLMX-UHFFFAOYSA-N 341.382 3.852 0 50 EHAA COC(=O)N1CCC([C@H](C)Nc2nc3cccc(C)c3s2)CC1 795141357 SMWJPUMEKPQELW-LBPRGKRZSA-N 333.457 3.884 0 50 EHAA Clc1ccc2nc(CCCNC3CSCCSC3)[nH]c2c1 825573866 TWQOYQSRSGABBX-UHFFFAOYSA-N 341.933 3.587 0 50 EHAA O=C(CCCc1cccs1)Nc1ccc(CC(=O)NC2CC2)cc1 828053636 VSXSHZNIXCGPOW-UHFFFAOYSA-N 342.464 3.531 0 50 EHAA Cc1oc(C(C)(C)C)cc1C(=O)NCCc1cn(C)c2ncccc12 828492319 HLZSCLCMUWYNPN-UHFFFAOYSA-N 339.439 3.745 0 50 EHAA CC(C)Oc1cccc(C(=O)NCc2ccnc(N(C)C)c2)c1Cl 952876117 AJIXHTRXEGJNBF-UHFFFAOYSA-N 347.846 3.518 0 50 EHAA CC[C@H]1CN(C(=O)c2cnc3[nH]cncc2-3)CC[C@@H]1c1ccccc1 952993873 LDGYGOYGUUXLMT-HOCLYGCPSA-N 334.423 3.565 0 50 EHAA Cc1cccc(N2CCC(N[C@@H](c3nccn3C)C3CC3)CC2)c1C 1506418132 UWYBOKAVKJMBAM-HXUWFJFHSA-N 338.499 3.747 0 50 EHAA CCCC[C@H]1CN(c2ccc(Cl)c(C(=O)O)n2)C[C@@H](C2CC2)O1 1615958413 BXORFCWWCLDLEI-JSGCOSHPSA-N 338.835 3.607 0 50 EHAA CN(CCCc1ccccn1)C(=O)[C@H]1CC[C@@H](n2cccc2)CC1 1875295755 PPZZLTNNPCZGFD-IZAXUBKRSA-N 325.456 3.706 0 50 EHAA Cc1ccc(C)n1-c1c(C(=O)OCc2cccc3c2CCC3)cnn1C 1875340940 AEQMJUZGGGDFCK-UHFFFAOYSA-N 349.434 3.673 0 50 EHAA CC[C@@H](C)N1CCC2(CCc3c(O)nc(-c4ccccc4)nc32)CC1 2100543321 PJLCHCWNGQVSBQ-OAHLLOKOSA-N 337.467 3.928 0 50 EHAA CC(C)c1ccc(-c2csc(N3CC[C@@]4(CCC(=O)N4)C3)n2)cc1 2325775672 ZVSRGTUTPLASIG-IBGZPJMESA-N 341.480 3.792 0 50 EHAA Cc1cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)c(C)nc1C 2325792586 VMSYZEIKHSWQMF-UHFFFAOYSA-N 349.434 3.943 0 50 EHAA Cc1cccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccccc2)c1 78495 VCOWAJLSHKNELA-LJQANCHMSA-N 334.375 3.639 0 50 EHAA COC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 107971 ZYXANXJZJJKCSZ-UHFFFAOYSA-N 346.305 3.567 0 50 EHAA Cc1oc2cc(O[C@@H](C)C(=O)O)ccc2c(=O)c1Oc1ccccc1 123797 FYIKHLLVPYVBTH-LBPRGKRZSA-N 340.331 3.746 0 50 EHAA biogenic COc1ccc(C(=O)NC(=S)Nc2cccc3ccccc23)cc1 142804 CGROYUYTUZIYSH-UHFFFAOYSA-N 336.416 3.975 0 50 EHAA CCN(CC)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 146487 OQJPBVKLPXPJFU-UHFFFAOYSA-N 328.412 3.559 0 50 EHAA O=CN[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 334846 WQVLZSHDKQTNPJ-MRVPVSSYSA-N 337.417 3.815 0 50 EHAA COc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1Cl 442865 CJWCBWBQBZACLL-JXMROGBWSA-N 346.839 3.875 0 50 EHAA COc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2)cc1 446224 PAQJHSYBSYCDAE-LLVKDONJSA-N 334.213 3.949 0 50 EHAA CCN(CC)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 455875 NHHAJRPSXKRWTC-VAWYXSNFSA-N 343.452 3.652 0 50 EHAA CO[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 610787 AUURCCLXZDDVML-AWEZNQCLSA-N 338.176 3.914 0 50 EHAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2cccs2)cs1 816579 VCETXPQBXFFOCP-ZJUUUORDSA-N 336.438 3.701 0 50 EHAA aggregator CCc1cccc(NC(=O)[C@H](C)[C@@H]2Sc3ccccc3NC2=O)c1 1060372 AUDRKKHNXZBMMX-PXAZEXFGSA-N 340.448 3.937 0 50 EHAA CCOC(=O)c1cc(NC(=O)Nc2ccccc2OC)c(C)nc1C 4302150 MJNPOSSWEVPJMW-UHFFFAOYSA-N 343.383 3.528 0 50 EHAA O=C(Nc1ccccc1C(=O)N1CCCCC1)NC1CCCCC1 4488335 LIBKCWSTNJMFGU-UHFFFAOYSA-N 329.444 3.767 0 50 EHAA Cc1ccc(OCCn2c([C@H](C)NC=O)nc3ccccc32)c(C)c1 4809893 SAUMJQOOGSYCMA-INIZCTEOSA-N 337.423 3.539 0 50 EHAA COC(=O)c1sc2ncccc2c1NC(=O)c1ccc(C)cc1 6658089 OBAGFHNHAKFTCB-UHFFFAOYSA-N 326.377 3.644 0 50 EHAA Cc1c(C)n(-c2cccnc2)c2ncn3nc(-c4cccs4)nc3c12 6719190 HDPMTYMHQUYTHC-UHFFFAOYSA-N 346.419 3.809 0 50 EHAA O=C(Nc1ccc2c(c1)OCO2)N1CCC(Cc2ccccc2)CC1 6726464 ZQOKMOGIXQLANT-UHFFFAOYSA-N 338.407 3.902 0 50 EHAA CC[C@H](C)OC(=O)C1=C(C)NC(=O)C[C@H]1c1c(F)cccc1Cl 6819439 WWTILYJWFQVYEZ-GXSJLCMTSA-N 339.794 3.698 0 50 EHAA CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1 12404304 CUOXWAPXQNDIRT-ZDUSSCGKSA-N 326.396 3.613 0 50 EHAA Cc1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 16606588 SHQWKPZJRSXEHB-UHFFFAOYSA-N 326.415 3.985 0 50 EHAA CC1=NN(c2nc(C)cc(C)n2)C(=O)[C@H]1Cc1ccc(C(C)C)cc1 18222483 QMSXFYRNHDFMQC-SFHVURJKSA-N 336.439 3.798 0 50 EHAA COCc1ccc(CN2CCC[C@H](c3[nH]ncc3CC(C)C)C2)o1 20783199 SJGZZAIGAUKCIE-HNNXBMFYSA-N 331.460 3.727 0 50 EHAA COc1ccccc1N1CCN([C@H](C)CCc2ccc(O)cc2)CC1 23283317 VTDNKKOWQRDNNO-QGZVFWFLSA-N 340.467 3.544 0 50 EHAA CC(=O)[C@@H]1CC[C@]2(O)[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 43757514 UAMNQIUKJVUQMR-ONCDUWEWSA-N 330.468 3.838 0 50 EHAA CC1(C)OC[C@H]([C@@H](Sc2ccccc2)C2C(=O)CCCCC2=O)O1 43763386 LFVUAHLBIFZMBT-SJLPKXTDSA-N 348.464 3.627 0 50 EHAA CN(CCCOc1cccc(Cl)c1)Cc1nc(-c2ccco2)no1 52457972 GVQCRKBVLPAWQK-UHFFFAOYSA-N 347.802 3.884 0 50 EHAA COC1CCN(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 53974627 YJURLNZRNPRIBB-FQEVSTJZSA-N 338.451 3.905 0 50 EHAA Cc1n[nH]c(C)c1CCCN(C)Cc1c[nH]nc1-c1ccc(F)cc1 55270297 HMFLDEHGKAZJNG-UHFFFAOYSA-N 341.434 3.620 0 50 EHAA C[C@@H](CO)CN(Cc1ccccc1)C(=O)c1cccc2cnccc12 55358143 KZAWCOAWCGCGCM-MRXNPFEDSA-N 334.419 3.506 0 50 EHAA CN(Cc1cn[nH]c1-c1ccc(F)cc1)C(=O)c1ccc2cc[nH]c2c1 55405074 MLGHPSXDFMCOJE-UHFFFAOYSA-N 348.381 3.969 0 50 EHAA CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1 59744562 IPVAMNSXVZHELZ-GDBMZVCRSA-N 331.460 3.532 0 50 EHAA Cc1ccccc1-c1cc(O)c2c(c1)CN(C[C@H]1CCCO1)CCO2 67819935 NUEIBZMZPLUHCP-GOSISDBHSA-N 339.435 3.741 0 50 EHAA CCn1cc(CN2CCC[C@@H](COc3ccc(F)cc3)C2)c(C)n1 72171474 JEMIEDLDDSJQPV-MRXNPFEDSA-N 331.435 3.642 0 50 EHAA O=C(CCCc1ccc(Cl)cc1)N1CCc2c(O)cccc2C1 77387894 OCEBARLQWAFIRV-UHFFFAOYSA-N 329.827 3.953 0 50 EHAA Cc1cc(C)n(CCCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)n1 77389999 QAEJGELITKTHRU-GOSISDBHSA-N 329.419 3.783 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N[C@@H](C)Cc3cncs3)c2c1 77406261 YMHCFOYALCNGIP-LBPRGKRZSA-N 339.464 3.923 0 50 EHAA Cc1cn2cc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)ccc2n1 82086867 OIZHTFGBEHFPMI-FQEVSTJZSA-N 342.402 3.557 0 50 EHAA COc1ccccc1-c1cccc(NC(=O)NC2CCOCC2)c1 96136909 RYIZGMMYDBPFBT-UHFFFAOYSA-N 326.396 3.663 0 50 EHAA Cc1[nH]nc(CCC(=O)N2CCC[C@H](Cc3ccc(F)cc3)C2)c1C 97819525 BGWWWSSEYZHDBY-QGZVFWFLSA-N 343.446 3.580 0 50 EHAA Cc1cc(CNc2cc(Br)ccc2N2CCCC2)no1 129639533 SNOJREIZYPNUFY-UHFFFAOYSA-N 336.233 3.958 0 50 EHAA CC(C)n1cccc1C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 135637478 WXTREWABKZESHC-UHFFFAOYSA-N 348.406 3.969 0 50 EHAA O=C(Cc1noc(-c2ccccc2OCC2CC2)n1)Nc1ccccc1 193175914 VORFYDHGUQOMLS-UHFFFAOYSA-N 349.390 3.707 0 50 EHAA Cc1noc(C)c1[C@H](C)CC(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 245552226 PNMCOHZUWSHCEH-GLJUWKHASA-N 342.439 3.774 0 50 EHAA CC1(C)C[C@H](NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c2ccccc21 248916217 WCMNYHKGTDGNQA-FHLIZLRMSA-N 328.456 3.666 0 50 EHAA CC[C@H](NC(=O)N[C@@H](C)CC[C@H]1CCCO1)c1nc(C)cs1 252498114 RJMNUEAUFRNWJA-YUTCNCBUSA-N 325.478 3.550 0 50 EHAA Cc1nn(C)c(N)c1C(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 252498657 RHIHVZYBKYAICE-OAHLLOKOSA-N 348.450 3.811 0 50 EHAA Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1ncsc1C(F)(F)F 281033968 WTKBEZSMBOSCQJ-SNVBAGLBSA-N 342.342 3.642 0 50 EHAA COC(C)(C)c1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299801224 XOFCWVPYPRALLU-XHSDSOJGSA-N 327.428 3.644 0 50 EHAA C[C@@H](CN[C@@H](c1ccc(F)cc1)c1nc[nH]n1)Sc1ccccc1 340251495 KZRTXBOPFPRNCQ-GUYCJALGSA-N 342.443 3.804 0 50 EHAA CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@]2(F)c2ccccc2)no1 412142784 BZGUSZQTMVSBTN-VCBZYWHSSA-N 343.402 3.741 0 50 EHAA CN(C)C[C@H](c1ccccc1)N(C)C(=O)NCC1C(C)(C)C1(C)C 534588810 CDWYSZIDCNQEAL-MRXNPFEDSA-N 331.504 3.613 0 50 EHAA Cc1ccc(F)c(C(=O)NCc2c(C(=O)O)oc3ccccc23)c1 738281105 PGWOEJUPFINCRF-UHFFFAOYSA-N 327.311 3.509 0 50 EHAA C[C@@H](Nc1nc(-c2ccccn2)nc2sccc12)C1CCNCC1 872782712 YLAXJXVXHUWPHG-GFCCVEGCSA-N 339.468 3.553 0 50 EHAA CC(C)CN(C(=O)c1ccc(P(C)(C)=O)cc1)c1ccc(F)cn1 905984028 VXTUABRMZXYUPW-UHFFFAOYSA-N 348.358 3.772 0 50 EHAA CC(C)Cn1ncc(NC(=O)N[C@H]2CCOC23CCCC3)c1C1CC1 931434179 OJOALJOHAUECFF-INIZCTEOSA-N 346.475 3.640 0 50 EHAA COc1ccc(CC(=O)N(Cc2ccc(C)s2)C2CC2)c(OC)c1 952982014 QBWNFLPOCXPJOZ-UHFFFAOYSA-N 345.464 3.807 0 50 EHAA CCn1ncnc1[C@H](C)NC1CCN(c2ccc(C)c(Cl)c2)CC1 1506403645 SZPHONGAXOMJKR-AWEZNQCLSA-N 347.894 3.579 0 50 EHAA CCCC[C@H]1CN(C(=O)c2c(O)nc(C)c(C)c2C)C[C@@H](C(C)C)O1 1615735122 NJUMVBWIQAAOBL-IRXDYDNUSA-N 348.487 3.768 0 50 EHAA COc1ccc2cc(-c3nccn3[C@H](C)C(F)(F)F)c(O)nc2c1 1857687435 QXNUNZUZUURVME-SECBINFHSA-N 337.301 3.936 0 50 EHAA CC(C)[C@H]1CCC[C@@H]1NC(=O)c1nc(C(F)(F)F)n2c1CCCC2 1875329675 CODIQCVZJIXADL-NEPJUHHUSA-N 343.393 3.793 0 50 EHAA COCc1nc(C(=O)Nc2ccc(-c3cn[nH]c3)c(Cl)c2)cs1 2325843020 QQFSJJXDFCMISG-UHFFFAOYSA-N 348.815 3.585 0 50 EHAA N[C@@]1(c2ccccc2)CCN(C(=O)c2ccc(-c3ccsc3)nc2)C1 2325857261 VNAMHUDKWJTKIR-FQEVSTJZSA-N 349.459 3.510 0 50 EHAA CO[C@H]1CC[C@H](NC(=O)c2ccc(N3CCCC3)c(Cl)c2)CC1 2356147494 YOCUDLFFNHLRJJ-SHTZXODSSA-N 336.863 3.628 0 50 EHAA CCN(CC)C(=O)COc1ccc2oc(C)c(C(=O)OC(C)C)c2c1 180614 FSAWNIQWGFRRJA-UHFFFAOYSA-N 347.411 3.554 0 50 EHAA CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OC)c(OC)c1 465560 VFIFOHYCWAFZPM-UHFFFAOYSA-N 342.395 3.695 0 50 EHAA CC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccccc2)c1 619794 JYFGAZLBALJLRA-UHFFFAOYSA-N 342.464 3.946 0 50 EHAA C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccnc(N)n1 2559826 FWRGXFQZCMCDER-ZCFIWIBFSA-N 334.754 3.979 0 50 EHAA O=C(CSc1nc2ccccc2[nH]1)NC12CC3CC(CC(C3)C1)C2 4386569 SZFAKRSJJCIXSP-UHFFFAOYSA-N 341.480 3.740 0 50 EHAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)NC1CCCCC1 6730377 BBASZLWWRRGOOF-UHFFFAOYSA-N 342.443 3.909 0 50 EHAA CC1(C)CC(=O)c2cc(NC(=O)c3ccccc3Cl)c(=O)oc2C1 9029317 AHKZNNUEBBYIMI-UHFFFAOYSA-N 345.782 3.701 0 50 EHAA Cc1ccccc1Oc1ncccc1CNC(=O)c1cscn1 11933990 WZKALNQRNCLUJG-UHFFFAOYSA-N 325.393 3.569 0 50 EHAA O=C1CC[C@@H](CCNCc2ccc(F)cc2)N1Cc1cccc(F)c1 12154240 RUYBRXWSCFZZAN-IBGZPJMESA-N 344.405 3.636 0 50 EHAA C[C@@H](CN1CCc2nnc(-c3ccccc3)n2CC1)c1ccccc1 12162300 BPRWQXIAGUKSJM-KRWDZBQOSA-N 332.451 3.607 0 50 EHAA CC(C)(C)[C@H]1CCc2sc(C(=O)N[C@H]3CCSC3=O)cc2C1 17070955 SKUMPBTUKDSEIQ-RYUDHWBXSA-N 337.510 3.661 0 50 EHAA COc1ccc(CC[C@H](C)N2CCN(c3ccccc3F)CC2)cc1 23282905 QTGNGOOBUAPRHM-KRWDZBQOSA-N 342.458 3.978 0 50 EHAA Cc1nc(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)nn1C(C)C 55309077 UIEMPPYZWTUFRW-OAHLLOKOSA-N 331.395 3.676 0 50 EHAA CC(C)c1noc([C@@H](C)Nc2nccc(CCC(F)(F)F)n2)n1 71747879 AKEADXDCAFOHKN-SECBINFHSA-N 329.326 3.651 0 50 EHAA Cc1ccccc1[C@@H](NC(=O)CC1CCN(C)CC1)c1ccccc1 72117442 HSGQBNJACHRWIH-QFIPXVFZSA-N 336.479 3.933 0 50 EHAA C[C@@H](c1cccc(-c2nccn2Cc2cccc(C(=O)O)c2)c1)N(C)C 72454389 FWWFITMSIFAOMA-HNNXBMFYSA-N 349.434 3.919 0 50 EHAA Cc1nn2c(N[C@H](C)c3ncc[nH]3)cc(-c3ccccc3)nc2c1C 72476702 ASNWYYOAKRAPQH-CQSZACIVSA-N 332.411 3.909 0 50 EHAA C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC(c2ccccn2)C1 91663018 HMZXAUXPMBRBLT-HNNXBMFYSA-N 332.403 3.628 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 91746759 AIVQEYPGRSJGHD-INIZCTEOSA-N 340.427 3.517 0 50 EHAA c1ccc(OCC2(CNc3nccc(-c4ccccn4)n3)CC2)cc1 97155754 SBDNZCSEWIKSNS-UHFFFAOYSA-N 332.407 3.810 0 50 EHAA CC[C@@H](C)N(CC(=O)O)C(=O)c1sc2nc(C)cc(C)c2c1C 119104498 OBILBIZQXWHCQF-LLVKDONJSA-N 334.441 3.547 0 50 EHAA O=C(c1ccc(Cl)cc1)N1CCC(Nc2cccc(O)c2)CC1 170604394 MKNWJINNVWSURW-UHFFFAOYSA-N 330.815 3.762 0 50 EHAA NC[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 178545660 BVCHWRXVCGJGNY-CYBMUJFWSA-N 348.368 3.793 0 50 EHAA CC(C)Cc1nsc(NC[C@H](O)c2cccc(OC(C)C)c2)n1 185434536 CEAMIKBHXYLVND-HNNXBMFYSA-N 335.473 3.669 0 50 EHAA CCOc1ccc2c(c1)[C@@H](Nc1cc(C)nc(C3CC3)n1)CCO2 185939998 RFNLFKZTAPZGKB-INIZCTEOSA-N 325.412 3.997 0 50 EHAA OCc1n[nH]c2c1CN(Cc1ccc(C3CCCCC3)s1)CC2 216068761 BKFKBTITIBKBBJ-UHFFFAOYSA-N 331.485 3.570 0 50 EHAA Cc1n[nH]c(C)c1CC(=O)Nc1ccc(NC2CCCCC2)cc1 253398719 MQCNBLOEOBEJCL-UHFFFAOYSA-N 326.444 3.952 0 50 EHAA Cc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc2scnc12 253419076 IBMUXYTYAYCYQO-GFCCVEGCSA-N 332.450 3.644 0 50 EHAA CCn1nccc1[C@@H]1OCC[C@H]1CNCc1cc2ccccc2o1 275636896 STHQNZCDEHTQGA-HNAYVOBHSA-N 325.412 3.517 0 50 EHAA COC1(C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)CCOCC1 284519867 BJVIIIVKUSWNJD-UHFFFAOYSA-N 329.396 3.698 0 50 EHAA COCC[C@H]1CCCCN(Cc2nc(O)c3cc(Cl)ccc3n2)C1 368769820 JRINQWDTNJGZFS-CYBMUJFWSA-N 349.862 3.627 0 50 EHAA O[C@H]1CCCN(C[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)C1 408519082 XZWYSDRKCZAFQQ-XIRDDKMYSA-N 343.389 3.630 0 50 EHAA O=C(O)CC[C@@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)no1 424262564 QORGIQSDSNVVNT-HNNXBMFYSA-N 332.375 3.700 0 50 EHAA CC(C)CN(Cc1cccnc1)C(=O)c1ccc(-c2cncn2C)cc1 426490450 NXAAVNDTAZUYDS-UHFFFAOYSA-N 348.450 3.781 0 50 EHAA c1ccc(COc2ccccc2CN2CCC3(CCNC3)CC2)cc1 430913899 ZCCVSKKKHQDZLK-UHFFFAOYSA-N 336.479 3.841 0 50 EHAA Cc1cc(=NC(=O)N[C@@H](c2ccccn2)C2CC2)c2ccccc2[nH]1 930614992 PBYBQRYUEQWTJC-LJQANCHMSA-N 332.407 3.633 0 50 EHAA CCn1cc(Br)c(CSc2ncnc3ccccc23)n1 1875313398 MTNPQPVCZSCJLW-UHFFFAOYSA-N 349.257 3.901 0 50 EHAA Cc1cccc(-c2n[nH]cc2CNCc2ccc3c(c2)COCC3)c1 2325774264 YNIOJAYFNANPGO-UHFFFAOYSA-N 333.435 3.748 0 50 EHAA COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@@H]1c1cccc(F)c1 249574 TUQZDUVNIJLWCY-AZUAARDMSA-N 338.382 3.704 0 50 EHAA O=S(=O)(c1ccc(Cl)cc1)N1CCCC[C@H]1c1cccnc1 451233 RDLAFQXQCBLDQX-INIZCTEOSA-N 336.844 3.651 0 50 EHAA biogenic O=C1C[C@H](C(=O)Nc2c(Cl)cccc2Cl)C2(CCCC2)O1 610243 AUOAVYBJBNSECQ-SECBINFHSA-N 328.195 3.808 0 50 EHAA Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C)c1 616303 UCOSAPLMWYDTTC-UHFFFAOYSA-N 328.843 3.919 0 50 EHAA CC(C)C[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 2560040 WXMGVJAOLIDKGZ-HNNXBMFYSA-N 339.435 3.932 0 50 EHAA in-vitro COCc1nn2c(N)c(-c3ccccc3)cnc2c1-c1ccccc1 2884621 WBQPAULTTTZESB-UHFFFAOYSA-N 330.391 3.792 0 50 EHAA O=C(Oc1ccccc1OC(=O)N1CCCCC1)N1CCCCC1 4279585 AECZYWXKUFGCQB-UHFFFAOYSA-N 332.400 3.656 0 50 EHAA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccn2)CC1 4893146 QZHNYGXJQPMAEA-UHFFFAOYSA-N 343.430 3.711 0 50 EHAA O[C@@H](C1CCCCC1)[C@H](Oc1ccccc1)n1nnc2ccccc21 5484875 MQGHNBOOPKLJSB-PMACEKPBSA-N 337.423 3.950 0 50 EHAA CCC(CC)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(F)cc1 6263735 JRDHLCVIYKHMLC-HNNXBMFYSA-N 349.431 3.864 0 50 EHAA CCOc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 6698125 YCLRQOHANAMSGP-UHFFFAOYSA-N 338.407 3.574 0 50 EHAA COCc1nc2cccnc2n1C1CCN(C[C@@H]2CC=CCC2)CC1 11789860 HXYXQGPISOBKAV-MRXNPFEDSA-N 340.471 3.571 0 50 EHAA Cc1cccc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)c1 12749040 RJWNMFNVBHRZDC-SFHVURJKSA-N 342.483 3.573 0 50 EHAA O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CCN(C1CCCC1)C2 12750443 BKGWYJLCZKKDNU-FQEVSTJZSA-N 330.447 3.583 0 50 EHAA O=C(NC1CCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 19770187 HVGGFTHOWHUEFR-UHFFFAOYSA-N 334.463 3.917 0 50 EHAA Cc1ccc(NC(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1 20367783 RECCUOWCVGNCLZ-UHFFFAOYSA-N 343.858 3.998 0 50 EHAA Cc1csc(CN(C)[C@@H]2CCC(=O)N(CCCC(C)C)CC2)n1 23310581 KYHYWXMQJFJOSM-MRXNPFEDSA-N 337.533 3.701 0 50 EHAA COc1ccccc1Cn1ncc2[nH]c(-c3c(F)cccc3F)nc21 48501690 RLNVOGBPTNAJMF-UHFFFAOYSA-N 340.333 3.762 0 50 EHAA CCCCOCC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 55100375 YKORTJHDWIBHOY-UHFFFAOYSA-N 341.367 3.752 0 50 EHAA CCc1noc([C@@H](C)NC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)n1 55168332 JDGQVMZGWLAKKT-KHJZBYSBSA-N 331.460 3.806 0 50 EHAA COCCN(Cc1cccs1)C(=O)c1cnc2ccccc2c1 55281512 BMPXRHMQOFKHFA-UHFFFAOYSA-N 326.421 3.585 0 50 EHAA CCc1ccc(-c2nccn2[C@H]2CCCN(c3ncccn3)C2)cc1 77407480 SEGNXNCGOOKKCO-SFHVURJKSA-N 333.439 3.744 0 50 EHAA CCOCCn1nc(C)cc1-c1nc(CC)nn1C1CCCCC1 96164516 TXELGSNDCJOTII-UHFFFAOYSA-N 331.464 3.554 0 50 EHAA CC(=O)Nc1cccc(OC(=O)c2ccc(-c3ccccc3)n2C)c1 152185964 IVKICXNNYMVVOA-UHFFFAOYSA-N 334.375 3.870 0 50 EHAA COc1ccccc1C(=O)Nc1cccc(-c2nnc3n2CCCC3)c1 169755518 UZTZXZTUPRINPQ-UHFFFAOYSA-N 348.406 3.542 0 50 EHAA COc1ccnc(N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)n1 170619649 XQVXAYLOOOYADT-INIZCTEOSA-N 335.411 3.607 0 50 EHAA CCCc1nc(C(=O)N2CCCC(C)(C)C2)nn1-c1ccccc1F 173699022 GFABZHXCMKYKLI-UHFFFAOYSA-N 344.434 3.621 0 50 EHAA C[C@@H](NC(=O)CC1CCC(C)(C)CC1)c1ccc2c(c1)NC(=O)CO2 179098243 VLEGCUIGQDQVET-CYBMUJFWSA-N 344.455 3.801 0 50 EHAA CC(C)[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1ccc(Cl)cc1F 184002893 KAELZGKMATYBOS-SJKOYZFVSA-N 349.837 3.752 0 50 EHAA CCc1nc2ccccc2c(C(=O)N2CCOc3nc(C)ccc32)c1C 189128699 WDMBSQZUXJMIHY-UHFFFAOYSA-N 347.418 3.848 0 50 EHAA C[C@@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)c1ccc(Cl)s1 190919466 URVPHIQOMRCTGA-SNVBAGLBSA-N 337.828 3.862 0 50 EHAA COc1cccc([C@H]2CCN2Cc2cccc(Cn3cccn3)c2)c1 215236799 SZYAQRCDQLMVCO-OAQYLSRUSA-N 333.435 3.887 0 50 EHAA COC(=O)c1sc(Br)c(Br)c1Cl 217350157 RJQBWMPIDVDQQA-UHFFFAOYSA-N 334.416 3.713 0 50 EHAA COCC[C@@H]1CCCCN1C(=O)Cc1ccc(C(F)(F)F)cc1 223126026 SJSZZCIJOAZDFH-HNNXBMFYSA-N 329.362 3.666 0 50 EHAA C[C@H](NC(=O)c1ccoc1C1CC1)c1cnn(Cc2ccccc2)c1 225587909 OZHCQKNHPMYYBE-AWEZNQCLSA-N 335.407 3.893 0 50 EHAA O=C(c1c(F)cccc1F)N1CCN([C@H]2C=CCCCCC2)CC1 225846901 CZONSTQCJFWDIU-HNNXBMFYSA-N 334.410 3.612 0 50 EHAA CC(C)[C@H](NC(=O)C(=O)N(C)[C@H](C)c1ccccc1)c1ccccc1 239807556 CSYWNWMONBIASL-APWZRJJASA-N 338.451 3.720 0 50 EHAA O=C(c1cc2ccccc2[nH]1)N1CCC(c2ccccc2CO)CC1 240244212 DKYRSVYUXMNSLR-UHFFFAOYSA-N 334.419 3.680 0 50 EHAA Fc1cccc2c(NCc3ccc(CN4CCCC4)cc3)ncnc12 241132885 JMTZGTDHMBQSIS-UHFFFAOYSA-N 336.414 3.977 0 50 EHAA Cc1ccc(CN(C)C(=O)N[C@H]2CCCc3ccc(F)cc32)nc1 252485560 GYWZFSAIUXZLGF-SFHVURJKSA-N 327.403 3.748 0 50 EHAA C[C@H](Cn1ccc2ccccc21)c1nc(-c2ccc3[nH]nnc3c2)no1 253430525 MHNRVSZQIHPOSI-GFCCVEGCSA-N 344.378 3.766 0 50 EHAA CCCN(CC1CC1)C(=O)c1cccc(-c2cn(C)nc2CC)c1 299798387 SWBGZTDYFKNNMB-UHFFFAOYSA-N 325.456 3.912 0 50 EHAA Brc1cccc(-c2noc(C3(c4cccnc4)CC3)n2)c1 328595093 KTZDDYSLEPSACB-UHFFFAOYSA-N 342.196 3.974 0 50 EHAA CCC(CC)n1ncc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1C 408519897 NAKGOXIBMYVPKK-BHIYHBOVSA-N 347.503 3.708 0 50 EHAA CCc1c(C(=O)Nc2scnc2C(C)C)cnn1-c1ccccn1 456449620 FJQIFAVOTDDGLT-UHFFFAOYSA-N 341.440 3.662 0 50 EHAA COc1cccc2c1OC[C@H](N[C@H](C)c1ccc(C(F)F)nc1)C2 657867848 QBAXQHSYZVCRRQ-BXUZGUMPSA-N 334.366 3.682 0 50 EHAA CCN(Cc1ccc2cc(NC(C)=O)ccc2n1)CC(F)(F)F 823074735 KZDYTODHYWKOHQ-UHFFFAOYSA-N 325.334 3.577 0 50 EHAA CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)c2C1 888090643 MHQBSNSIBYCHSL-BYNSBNAKSA-N 327.472 3.503 0 50 EHAA COc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc(F)c([C@H](C)O)c1)C2 908175837 AZFDNEXMQFQRLZ-SWLSCSKDSA-N 343.398 3.631 0 50 EHAA C[C@H](Oc1ccccc1F)C(=O)OCC(=O)c1cccc(Cl)c1 914657923 OGQMTWUXBGYHNS-NSHDSACASA-N 336.746 3.673 0 50 EHAA Cc1cc(OC(F)F)c(C)cc1NC(=O)[C@@H]1OCC[C@@H]1C(C)C 952845982 XRGSBTDWKHKWHY-IUODEOHRSA-N 327.371 3.904 0 50 EHAA c1ccc(-n2ccnc2)c(CNCc2ccc([C@@H]3CCCCO3)o2)c1 952960265 VIWUQXWBGOROTE-IBGZPJMESA-N 337.423 3.997 0 50 EHAA COC(=O)c1c(F)ccc(NC(=O)N2CCc3ccc(C)cc32)c1F 1466751125 BMNXRMHNDGMXGD-UHFFFAOYSA-N 346.333 3.654 0 50 EHAA Cc1ccc(F)c(C(=O)N(Cc2c(C)nn(C)c2C)C2CC2)c1Cl 1506421837 KCFIJTGZDDBESG-UHFFFAOYSA-N 349.837 3.943 0 50 EHAA COc1ccccc1NC(=O)CN(C/C=C/c1ccccc1)C1CC1 1529172872 RGEZPHRTXPZCGL-JXMROGBWSA-N 336.435 3.812 0 50 EHAA O=C(Nc1ccc(Br)nc1)N[C@@H]1CCC[C@H](C2CC2)C1 1675232162 HPPMQSBXZQSJKR-NWDGAFQWSA-N 338.249 3.934 0 50 EHAA C[C@H](O)c1nc2ccc(-c3ccc(O)c(OC(F)(F)F)c3)cc2[nH]1 1772704195 GOVDNKGLLYXKGK-QMMMGPOBSA-N 338.285 3.887 0 50 EHAA Cc1nc(COCc2nc(C)c3ccccc3n2)nc2ccccc12 1772820882 DJCQHRITXKQZSH-UHFFFAOYSA-N 330.391 3.907 0 50 EHAA CCCc1cc(CNC(=O)c2c(Cl)ccc3ncccc23)on1 1775979639 XWDLBFDNAUOUAJ-UHFFFAOYSA-N 329.787 3.759 0 50 EHAA N[C@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1ccc(F)cc1F 1857532445 NYBKGEMIYQNEAF-HUUCEWRRSA-N 336.407 3.780 0 50 EHAA C[C@H](C(=O)Nc1c[nH]nc1-c1ccccc1)c1ccc2c(c1)OCCO2 1875254748 AFARFBHPALDQOO-ZDUSSCGKSA-N 349.390 3.590 0 50 EHAA CN1CCN(Cc2csc(-c3cccs3)n2)c2cnccc21 2325710825 UQNHPNXWXOHHKQ-UHFFFAOYSA-N 328.466 3.723 0 50 EHAA Cc1ccc(Br)c(CSC[C@H]2[C@H]3COCC[C@H]32)n1 2325798271 CRIKGNHJGMWMSN-GRYCIOLGSA-N 328.275 3.668 0 50 EHAA CN(C)C[C@H]1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3n2C)CC1 2325868683 GJKGMHZKMBFCOX-AKAXFMLLSA-N 347.890 3.682 0 50 EHAA Cc1cnnc(-c2ccc(C(=O)N[C@@H](C)c3cccnc3)cc2)c1C 2356153855 XSLXVYHZPLMGFO-HNNXBMFYSA-N 332.407 3.646 0 50 EHAA Cc1ccc(F)c(C(=O)N=c2[nH][nH]cc2-c2ccc(F)cc2)c1Cl 2356170276 ODZHUMAAEWCSGH-UHFFFAOYSA-N 347.752 3.991 0 50 EHAA Cc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)s1 98032 LJBGFJVANZKRSY-UHFFFAOYSA-N 334.253 3.884 0 50 EHAA CCOc1ccccc1OCC(=O)Nc1ccc(OC)c(Cl)c1 145329 GMQILCSSFQRJJK-UHFFFAOYSA-N 335.787 3.765 0 50 EHAA Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 318537 VVBCTALBQBMVOF-UHFFFAOYSA-N 348.368 3.976 0 50 EHAA Cc1cc(Br)cc(C)c1NS(=O)(=O)c1ccccc1 437389 LEUWYMKGMRZMID-UHFFFAOYSA-N 340.242 3.867 0 50 EHAA CCOc1ccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 973420 KUXVSYLCGHNJAL-HNNXBMFYSA-N 328.393 3.723 0 50 EHAA CCCCOC(=O)c1cc2cc(Br)ccc2oc1=O 2480144 FQVCQSVPNKJZBR-UHFFFAOYSA-N 325.158 3.512 0 50 EHAA Cn1nc(C(=O)NC2CCCCCCC2)c(Cl)c1C(F)(F)F 2778409 AJHYUTXQENIQPJ-UHFFFAOYSA-N 337.773 3.935 0 50 EHAA COc1cccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1 2988348 RXDFFWGEUXCVJI-UHFFFAOYSA-N 336.347 3.793 0 50 EHAA CC(C)OP(=O)(OC(C)C)[C@H](OC(N)=O)c1ccccc1O 3185554 JHQTYGKDTVQHBB-ZDUSSCGKSA-N 331.305 3.529 0 50 EHAA O=C(NC(=O)c1ccccc1)Nc1ccc(Br)cc1F 4838565 HCXRBTLEWRDMOP-UHFFFAOYSA-N 337.148 3.550 0 50 EHAA O=C(NCc1nc(-c2ccccc2)no1)Nc1cccc(Cl)c1 4843363 FMXKHOZAKQZDPC-UHFFFAOYSA-N 328.759 3.712 0 50 EHAA CCNc1ncnc2sc(C(=O)N[C@@H](C)c3ccco3)c(C)c12 12134344 YIXSFGAAAUYFJP-JTQLQIEISA-N 330.413 3.516 0 50 EHAA Cc1c([C@H](C)NCc2cccc3c2OCO3)cnn1-c1ccccc1 12458433 QRZIIEBZILRACV-AWEZNQCLSA-N 335.407 3.760 0 50 EHAA CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 13154418 BGSXOCGHVSTTQK-QWRGUYRKSA-N 332.450 3.698 0 50 EHAA Cc1nc(Br)c(Br)cc1Br 16123668 KAPFOLXHCWBEEQ-UHFFFAOYSA-N 329.817 3.678 0 50 EHAA in-vitro O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1cccc(F)c1 20404184 WQELHBYOSBWSSY-MRXNPFEDSA-N 346.789 3.722 0 50 EHAA COc1cccc(SCC(=O)Nc2ccnn2C2CCCC2)c1 27661708 SEAGUAPDMMFKQB-UHFFFAOYSA-N 331.441 3.738 0 50 EHAA CCCc1cc2c(=O)n([C@H](C)Cc3cccc(C)n3)cnc2s1 43082548 VLIBGBPDXVTKLG-CYBMUJFWSA-N 327.453 3.918 0 50 EHAA CCCc1cn(C2CCN(C(=O)CC3CCCCCC3)CC2)nn1 48063543 NBUBJDBRMBGEAY-UHFFFAOYSA-N 332.492 3.755 0 50 EHAA Cc1ccsc1CN(CCCn1ccnc1)Cc1ccncc1 55109121 NOVQHNKXJJYJSH-UHFFFAOYSA-N 326.469 3.741 0 50 EHAA Cc1cc(C)c(C)c(C(=O)NCc2cc(-c3ccccn3)no2)c1C 63883997 NWQZNUGWQABJAO-UHFFFAOYSA-N 335.407 3.900 0 50 EHAA CCc1ccc2oc(=O)cc(CNC[C@@H]3OCCc4ccccc43)c2c1 65410493 CXUYMQWSAQLUMW-NRFANRHFSA-N 349.430 3.759 0 50 EHAA COc1ccccc1CCCNC(=O)c1ccc2cccc(F)c2n1 91351136 KJZKMZWZODKYPQ-UHFFFAOYSA-N 338.382 3.745 0 50 EHAA Cc1ccc2oc(-c3cn(Cc4ccc(CO)cc4)nn3)c(C)c2c1 91656719 DJZANTAMAIOURM-UHFFFAOYSA-N 333.391 3.849 0 50 EHAA O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC(C(F)(F)F)CC1 91896761 SMFHBPASMKGTDH-UHFFFAOYSA-N 341.308 3.630 0 50 EHAA CC[C@@H](NC(=O)c1cc(Cl)c(C)c(Cl)c1)c1ccnn1C 95369746 UFNXHTHRZHVZQD-CYBMUJFWSA-N 326.227 3.916 0 50 EHAA Cc1cccn2cc(-c3ccc(NCc4cnn(C)c4C)cc3)nc12 118966116 LUGXJYHLJSCDOA-UHFFFAOYSA-N 331.423 3.964 0 50 EHAA Cn1cc(CC(=O)NCC2(c3ccccc3F)CC2)c2ccccc21 126584258 DZFBVTYNVCKDAY-UHFFFAOYSA-N 336.410 3.708 0 50 EHAA O=C(N[C@H]1COc2ccccc2C1=O)c1sccc1-c1ccccc1 129037107 KRKXEUIVYVVMOO-INIZCTEOSA-N 349.411 3.789 0 50 EHAA CN(CCc1cc(F)ccc1Br)C(=O)OC(C)(C)C 145877313 YRZIELGROWSIJY-UHFFFAOYSA-N 332.213 3.998 0 50 EHAA COc1cc(Br)ccc1C(=O)Nc1ccc(O)cc1C 157714621 PIQXZLRZHJWZFK-UHFFFAOYSA-N 336.185 3.724 0 50 EHAA C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)Sc1ccccc1 170601249 NAOJQZXNEQYDQG-AWEZNQCLSA-N 326.465 3.590 0 50 EHAA CCCn1nccc1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 180503115 VQRFPDGRPPMLRT-GDBMZVCRSA-N 348.834 3.598 0 50 EHAA Cc1sc(NC(=O)C2CCC(O)CC2)nc1-c1ccc(F)cc1 194160201 FHGMXHXVYDRLTK-UHFFFAOYSA-N 334.416 3.747 0 50 EHAA COc1ccccc1CN(C(=O)[C@@H]1CCCc2cccnc21)C1CC1 195436501 HFQHZGCVFWJIFH-GOSISDBHSA-N 336.435 3.701 0 50 EHAA C[C@H]1CCN(C(=O)Cc2nnc(-c3ccccc3)n2C)c2ccccc21 195525380 UPNPKRODELLKDK-HNNXBMFYSA-N 346.434 3.565 0 50 EHAA CN1CC[C@@H]2CN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@@H]21 216561305 PKVPOBYTIROPNL-RNCFNFMXSA-N 347.768 3.527 0 50 EHAA COc1c(C)cc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@@H]2C2CCCC2)cc1C 219884117 DGLKGKNAOQYWJC-XFKSJGNHSA-N 343.467 3.636 0 50 EHAA CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)cc1 225408329 JGBTYLJLEKXBPZ-PMACEKPBSA-N 349.478 3.657 0 50 EHAA CSCc1noc(CN(C)Cc2cccc(C(F)(F)F)c2)n1 244626501 FMXYZYLMWCBXRZ-UHFFFAOYSA-N 331.363 3.583 0 50 EHAA CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)[C@H]1CCCO1 244719168 LYDVQVPIQPPGQF-LEWSCRJBSA-N 346.254 3.835 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1csc(Br)c1 250766908 KURVSLROBQZXAG-UTUOFQBUSA-N 344.274 3.728 0 50 EHAA CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCCOC1 253415296 DLHUFYWEGRHJSC-CABCVRRESA-N 343.389 3.817 0 50 EHAA O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccc(CO)c1 253422894 GHSJJVMKGVYKNS-UHFFFAOYSA-N 349.415 3.807 0 50 EHAA C[C@H](OC(=O)c1ncccc1Br)C(Cl)(Cl)Cl 253424604 ILCRJGYGWTVUII-YFKPBYRVSA-N 347.423 3.760 0 50 EHAA C[C@@]12CC3CC(C(=O)N4CCC([C@H]5CCCN5)CC4)(C1)C[C@](C)(C3)C2 262259796 RAPJKRQLFZXKNW-UKGCZSIRSA-N 344.543 3.974 0 50 EHAA C[C@H](C(=O)NC1(C(=O)O)CCCC1)c1ccc(Cl)c(Cl)c1 262580816 QLWMAUPKTDFCME-VIFPVBQESA-N 330.211 3.611 0 50 EHAA O=C(O)c1ccc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 263565239 FJLVCLLRILIBDX-KRWDZBQOSA-N 349.789 3.751 0 50 EHAA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)CCOCc1ccccc1 285549030 OPYLMBNIMTYDRX-DYXWJJEUSA-N 345.483 3.526 0 50 EHAA Cc1cc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)n([C@H](C)C2CC2)n1 299760030 PZNRUDHSVHXRLL-CYBMUJFWSA-N 347.507 3.593 0 50 EHAA Cc1cccc(CCNC(=O)C23CCC(C(F)(F)F)(CC2)CC3)n1 365610059 BSJFBFFENXTBEA-UHFFFAOYSA-N 340.389 3.952 0 50 EHAA CC(C)(CC(F)F)C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 412267611 GXEYEXSEQJMOIX-WFASDCNBSA-N 329.362 3.701 0 50 EHAA COc1ccc(NC(=O)N(C)CCOc2c(C)cccc2C)c(F)c1 426531761 OWNDLLXIGOAHKP-UHFFFAOYSA-N 346.402 3.994 0 50 EHAA C[C@@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCSc2ccccc21 427648534 QBUUUTBIWABIPT-SUMWQHHRSA-N 327.449 3.719 0 50 EHAA CCn1ncc(-c2ccc([C@@H](C)N3CCCCC3)cc2)c1C(=O)O 534592157 LMAGAWSKWYNEKQ-CQSZACIVSA-N 327.428 3.815 0 50 EHAA OCC[C@@H]1CN(CCCC2CCCC2)CCN1Cc1cccs1 828747117 FNKSPMZVRZKNPM-GOSISDBHSA-N 336.545 3.587 0 50 EHAA CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccoc2C2CC2)nc1 863947262 IJSWITQUQAVBJU-UHFFFAOYSA-N 328.368 3.760 0 50 EHAA O=S(=O)(CC1CC2(CCC2)C1)N1CC2(CCC2)[C@H]1c1ccncc1 872506779 GQUBEHBCJZJADI-QGZVFWFLSA-N 346.496 3.519 0 50 EHAA Cc1cnn(CC2CCN(C(=O)c3ccc(F)c4occc34)CC2)c1 933655815 JMBWBKARZIDHHG-UHFFFAOYSA-N 341.386 3.629 0 50 EHAA CCc1nccc(C)c1NC(=O)N[C@H]1CCCOc2ccccc21 934463791 JNXOYDQCSLIBJE-INIZCTEOSA-N 325.412 3.988 0 50 EHAA Cc1cccc(C(C)C)c1NC(=O)CN(C)CCC[C@H]1CCCO1 1529182229 YINDPFPADSGBEB-KRWDZBQOSA-N 332.488 3.948 0 50 EHAA Cc1cc(N2CCC[C@H](c3nc[nH]n3)C2)nc2cc3c(cc12)CCC3 1704297161 HUNJREYAKGHIIH-INIZCTEOSA-N 333.439 3.534 0 50 EHAA CCCCOc1ccc([C@@H](C)NC(=O)C[C@@H]2CCC(=O)C2)cc1OC 1775992805 VKEODZUTHWPGRO-HUUCEWRRSA-N 347.455 3.811 0 50 EHAA CCC[C@@]1(CO)CN(c2ccnc3c(C)cc(Cl)cc23)CC[C@@H]1O 1857734441 SHZOTLRZKLCFPD-HKUYNNGSSA-N 348.874 3.546 0 50 EHAA O=C([C@@H]1CCCC[C@H]1c1cccnc1)N1CCC[C@]2(CCCO2)CC1 1875299590 PKRNQYUHWUXUJG-ZVDOUQERSA-N 342.483 3.917 0 50 EHAA C[C@@H]1Cc2ccc(OCc3ccccc3)cc2CN1Cc1cnc[nH]1 2325859932 QFERADDLDCMCPM-MRXNPFEDSA-N 333.435 3.936 0 50 EHAA CCOC(=O)c1cccc(NC(=O)COc2ccccc2Cl)c1 94387 NABWAOYNXLAUGL-UHFFFAOYSA-N 333.771 3.534 0 50 EHAA Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc(Cl)c3)ccc12 139409 WEDBZWQLSFPYBO-UHFFFAOYSA-N 343.766 3.772 0 50 EHAA COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3[nH]2)CC1=O 252348 BSIQYUWGBHHCBV-LLVKDONJSA-N 341.798 3.745 0 50 EHAA COc1ccc(C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1OC 264865 FKYBNUGCEBRMIA-GFCCVEGCSA-N 329.371 3.824 0 50 EHAA CCC(=O)N[C@H](Nc1cccc2cccnc12)C(Cl)(Cl)Cl 364196 ODBBRPLFSRWLPT-ZDUSSCGKSA-N 346.645 3.869 0 50 EHAA C[C@H](NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)c1ccccc1 374428 RQRGDURNRVTAQM-NSHDSACASA-N 337.345 3.657 0 50 EHAA O=C(Nc1ccccc1)Nc1nc(Cl)cc(N2CCCCC2)n1 1398329 QDTANANZNKOKIK-UHFFFAOYSA-N 331.807 3.764 0 50 EHAA CCCCOc1ccc(S(=O)(=O)N2CCCC2)c2ccccc12 2182639 JUTKMQIQVDTOJN-UHFFFAOYSA-N 333.453 3.803 0 50 EHAA COc1ccc(C(=O)Nc2cc(C)n(Cc3cccc(C)c3)n2)cc1 4857982 YFKMMLQZXRJNJV-UHFFFAOYSA-N 335.407 3.809 0 50 EHAA Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)O)cc1 4858072 SLKYRQVJTUUSMY-OAHLLOKOSA-N 342.420 3.599 0 50 EHAA Cc1nnc(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)s1 10230967 NQTHWXTUKIZBMD-ZETCQYMHSA-N 336.467 3.576 0 50 EHAA CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2)cc1 12379696 YAOHDQVHTIZBTM-UHFFFAOYSA-N 341.388 3.566 0 50 EHAA C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2Cl)C[C@@H](C)O1 13326585 DJYDFVYGDXIXTO-GHMZBOCLSA-N 346.254 3.787 0 50 EHAA CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1F 13479863 VEJNFHNLISMNFV-UHFFFAOYSA-N 338.382 3.638 0 50 EHAA Cc1nc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)nc2c(C)cccc12 18117968 ACGXTQJDVFWTBU-UHFFFAOYSA-N 343.390 3.741 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccc(F)c2)cc1C 20293210 YKMULPNFTKYLIS-GOSISDBHSA-N 340.398 3.686 0 50 EHAA CSc1cccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)c1 33089043 MUKQYVKJIGCTOD-UHFFFAOYSA-N 336.416 3.532 0 50 EHAA COCc1cc(CN(C)[C@@H](C)Cc2cc(C)ccn2)ccc1OC 55309192 DLQJNIHBZUTURM-INIZCTEOSA-N 328.456 3.608 0 50 EHAA Cc1ccc(NC(=O)[C@@H](C)NCCc2nc3ccccc3s2)cc1 65398434 INBHIYXZWUPVDG-CQSZACIVSA-N 339.464 3.764 0 50 EHAA O=C(N1CCC[C@H](N2CCCC2)C1)C1(c2ccc(Cl)cc2)CCC1 72144159 DYTPHYNXKPLEDO-SFHVURJKSA-N 346.902 3.849 0 50 EHAA O=C(c1cc2c(s1)CCCCC2)N1CCC(c2ncc[nH]2)CC1 72430350 CDUMZXRUDCBFMH-UHFFFAOYSA-N 329.469 3.760 0 50 EHAA O=C(NCCc1nc(C2CCCCC2)cs1)c1ccncc1F 133383044 BBNBFZDRSGPHNW-UHFFFAOYSA-N 333.432 3.697 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H]1CCCOc2ccccc21 155298010 KZYCZGLMQIRGJY-BLLLJJGKSA-N 327.428 3.550 0 50 EHAA O=C(O[C@@H](c1ncccn1)C1CCCC1)c1noc2c1CCCCC2 159029494 STXKKTKSZVWICE-QGZVFWFLSA-N 341.411 3.822 0 50 EHAA CC(C)[C@](C)(NC(=O)[C@H]1CCCO1)c1ccc(Br)cc1 170611481 ISMLOZOXBDHLCF-ZBFHGGJFSA-N 340.261 3.616 0 50 EHAA Cc1ccnc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)n1 194678055 CMJKULHRWGIWNJ-AWEZNQCLSA-N 348.406 3.582 0 50 EHAA Cc1cccc(C(=O)N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n1 212062407 DSOGLQUXKXVDKR-CTNGQTDRSA-N 346.430 3.534 0 50 EHAA CC[C@@H]1CCCCN1CC(=O)N(C)Cc1[nH]c2ccccc2c1C 223598989 LBSVOEPERLNKJK-MRXNPFEDSA-N 327.472 3.699 0 50 EHAA Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CC[C@H](N)C3)s2)cc1Cl 237829444 IAFOMHNVWXZLPF-OLZOCXBDSA-N 349.887 3.762 0 50 EHAA N[C@H]1C[C@H](c2cc(NCCCCc3ccccc3)nc(C3CC3)n2)C1 244691021 JBBVBKAHFXOTPN-IYARVYRRSA-N 336.483 3.994 0 50 EHAA COC(=O)c1nc([C@H]2CCCN2Cc2ccccc2OC)sc1C 253427755 DRAOWWFRRMUSCS-CQSZACIVSA-N 346.452 3.584 0 50 EHAA Cc1csc([C@H]2CCCCN2C(=O)c2ccc(C(=O)O)cc2F)n1 262476269 XIIOTDLBWGMPHF-CQSZACIVSA-N 348.399 3.656 0 50 EHAA CCO[C@@H](C(=O)Oc1ccc2c(c1)CCCC(=O)N2)c1ccccc1 271100685 XKHIFDUGPJYOIC-LJQANCHMSA-N 339.391 3.645 0 50 EHAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1ccc(OC3CCCC3)cc1)CC2 299766225 DFTFYOZVWXFPNE-DZFGPLHGSA-N 345.483 3.512 0 50 EHAA CNC(=O)c1ccc(NC(=O)NCCSC2CCCCC2)c(C)c1 299790121 BFMNAHLNBSNZCS-UHFFFAOYSA-N 349.500 3.542 0 50 EHAA C[C@@H]1C[C@H]1c1ccc(CNC[C@@H]2CCN(C)[C@H]2c2cccnc2)o1 328626244 DXRPXXYFPBCPHU-CAUGKJMWSA-N 325.456 3.581 0 50 EHAA O=C(c1cccc(Cn2ccnc2)c1)N1CC[C@@H](c2ccccc2)C1 338169959 IGHWMTCPEMKSIH-HXUWFJFHSA-N 331.419 3.561 0 50 EHAA CCC[C@@]1(CO)CCN(Cc2ccccc2Oc2cccnc2)C1 344266966 LWNKMRVITKZRBE-HXUWFJFHSA-N 326.440 3.858 0 50 EHAA c1ccc(Cc2noc([C@@]34CCC[C@@H]3CN(c3ccccn3)C4)n2)cc1 366616105 CMOWNPJWOCDQMF-DYESRHJHSA-N 346.434 3.614 0 50 EHAA CC(C)CN1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 488052106 NAUHETHWXDMEDC-UHFFFAOYSA-N 335.923 3.582 0 50 EHAA CC(C)(C)c1nc(CNCc2sncc2Br)cs1 722789682 DGSWIJGYSOKMDI-UHFFFAOYSA-N 346.319 3.949 0 50 EHAA Cn1cnc2c(Oc3ccc(C4SCCS4)cc3)ncnc21 750530948 VQAUFCYZIDUGFV-UHFFFAOYSA-N 330.438 3.634 0 50 EHAA Cc1csc(SCC(=O)N[C@H](CC(C)C)c2cccnc2)n1 821004058 MOMMOVPENYWGEA-CQSZACIVSA-N 335.498 3.842 0 50 EHAA CC1(C)[C@@H](CNC(=O)c2cccc(Nc3nccs3)c2)C1(F)F 825612262 SXJKGHZSKCOHEF-GFCCVEGCSA-N 337.395 3.908 0 50 EHAA CC1(C)CCN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1c1ccccc1 887579459 SNCXMNOWJNTDOQ-INIZCTEOSA-N 340.471 3.689 0 50 EHAA O=C(O)C12CCC(C(=O)Nc3cccc(OC4CCCC4)c3)(CC1)C2 908729799 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3.883 0 50 EHAA OCCCn1cnc(-c2ccccc2)c1-c1cccn1-c1ccccn1 65410331 YUHVYUBMFMAARM-UHFFFAOYSA-N 344.418 3.785 0 50 EHAA O=C(c1cccnc1N1C[C@H]2C3CCC(CC3)[C@H]2C1)N1CCCCC1 72168584 LECNSVPBRIJUCV-JVPGXQPFSA-N 339.483 3.580 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N3CCC[C@@H]3Cn3cccn3)c2c1 77439791 YEMNMEGFILQZIM-QGZVFWFLSA-N 348.450 3.607 0 50 EHAA CCc1cccc(OCCN(CC)C(=O)Nc2cccc(CN)c2)c1 97217677 SINIABZSYZTTCF-UHFFFAOYSA-N 341.455 3.641 0 50 EHAA CCCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2ccccc21 100452257 OIAYVLYJTBBCQJ-UHFFFAOYSA-N 336.391 3.678 0 50 EHAA COC(=O)Nc1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1 121740527 GIRJSCJOJWGJAL-UHFFFAOYSA-N 340.166 3.819 0 50 EHAA COc1ccc(C(=O)N(C)C)cc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 129313375 FSWKVKROYRWWEC-CHWSQXEVSA-N 344.377 3.930 0 50 EHAA O=C(Cc1ccsc1)Nc1cccc(-c2nnc3n2CCCC3)c1 169755480 LURNNBSVRWILIU-UHFFFAOYSA-N 338.436 3.524 0 50 EHAA CC(C)[C@@H]1CCCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 170635198 ZGMKFKURKWDMGN-CYBMUJFWSA-N 344.377 3.921 0 50 EHAA 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C[C@@H]1CCC[C@H](C(=O)N2CCC(c3ccccc3C(=O)O)CC2)C1 364847029 WUNCZBGVHORGAY-ZBFHGGJFSA-N 329.440 3.917 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)C(=O)NCc2ccc(C)c(F)c2)c1 426412829 WUDGSQGNXDNJJE-HNNXBMFYSA-N 329.419 3.610 0 50 EHAA CCN(CC)Cc1cccc(NC(=O)N(C)Cc2ccnc(C)c2)c1 426442903 KOCMIWXAUPVDQK-UHFFFAOYSA-N 340.471 3.896 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)N[C@H]1C[C@H](C(=O)O)c2ccccc21 653330307 CRNFRWADMYJIOW-JVPBZIDWSA-N 335.403 3.536 0 50 EHAA Cc1nnc([C@H]2CN(c3c(C)c(C)nc4ccccc34)C[C@@H](C)O2)o1 664500035 ISHCLBRJJBKRTF-PIGZYNQJSA-N 338.411 3.509 0 50 EHAA CCc1ccc([C@H]2CCCN2C(=O)NCc2ccc3c(c2)COC3)o1 676247047 OYFNFDSYTYTJMD-GOSISDBHSA-N 340.423 3.919 0 50 EHAA Cc1ncc(CN2CCC[C@H](CNc3ccc(Cl)cc3)C2)n1C 896735098 YOIVHFYWTJCYEZ-OAHLLOKOSA-N 332.879 3.706 0 50 EHAA Cc1c(NC(=O)c2ccc(OC(F)F)nc2)cnn1C1CCCC1 935671325 PLXLXZYCMPMUNV-UHFFFAOYSA-N 336.342 3.555 0 50 EHAA O=C(Nc1ccccc1OC[C@H]1CCCO1)c1ccc(Cl)cn1 952962559 CIRNSELNCFAKEA-CYBMUJFWSA-N 332.787 3.545 0 50 EHAA CC(C)n1ccc2cc(C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)ccc21 952964204 TZGXAONFYAYMLT-SHTZXODSSA-N 342.439 3.843 0 50 EHAA Cc1cc(C(=O)N[C@H]2CCOC3(CCC3)C2)c2ccc(F)cc2n1 1333603440 BNEOROYILJSFML-AWEZNQCLSA-N 328.387 3.514 0 50 EHAA Cc1cc(C(=O)N2CCC([C@H](O)c3cccs3)CC2)ccc1F 1506422164 OTUZMYCKPALWDX-KRWDZBQOSA-N 333.428 3.781 0 50 EHAA Cc1ccc(N2CCC(N3CCC[C@@H](CCC(=O)O)C3)CC2)cc1 1506425756 RDCMENBHKKDZBA-KRWDZBQOSA-N 330.472 3.541 0 50 EHAA COc1cc(OC)nc(N[C@H]2CC(C)(C)Oc3cc(C)ccc32)n1 1529198948 QNEHWEZWVGPOMQ-ZDUSSCGKSA-N 329.400 3.517 0 50 EHAA O[C@]1(c2ccccc2F)CCN(Cc2cccc(-c3ccncc3)c2)C1 1875338667 GXHHEMBCFFOMOQ-JOCHJYFZSA-N 348.421 3.981 0 50 EHAA Cc1cc(C(=O)NC[C@H](C)c2cccc(Cl)c2)n2nc(C)cc2n1 1875358169 MEXJKPWKBUBKQG-NSHDSACASA-N 342.830 3.533 0 50 EHAA CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(F)ccc2N)cc1F 2325870034 GWNBNDCISAALRI-UHFFFAOYSA-N 340.395 3.645 0 50 EHAA CCc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 97726 SWZDMKCBCBUWFE-UHFFFAOYSA-N 346.637 3.769 0 50 EHAA CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccccc2)NC(=O)N1 126786 DCESZAMJZGJXJO-SFHVURJKSA-N 342.439 3.971 0 50 EHAA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 280079 GCVZSLMMPOUFRW-JTQLQIEISA-N 346.452 3.843 0 50 EHAA COc1ccc(Cl)cc1NC(=O)Oc1ccc(NC(C)=O)cc1 399718 COARUZQVGSODFZ-UHFFFAOYSA-N 334.759 3.918 0 50 EHAA O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1Cl 524877 FGQPTJCYULVDDP-UHFFFAOYSA-N 329.831 3.973 0 50 EHAA COc1ccc(-c2nnc(OC[C@H]3CCCO3)c3ccccc23)cc1 542166 NIIPWRJUFLSCDN-MRXNPFEDSA-N 336.391 3.863 0 50 EHAA COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)OCCO2 611292 WGZFILSJWNIKLX-UHFFFAOYSA-N 334.759 3.764 0 50 EHAA COC(=O)c1cc(C(C)C)sc1NC(=O)c1cccnc1Cl 2764431 ZMXFQLVGANMGPA-UHFFFAOYSA-N 338.816 3.959 0 50 EHAA O=C1[C@H]2Cc3ccccc3CN2C(=S)N1c1cccc2ccccc12 2788769 IDFHRVLAPSXQOE-LJQANCHMSA-N 344.439 3.898 0 50 EHAA C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 5028119 AJXZRCXJXZGCBL-BUBBNXEVSA-N 341.451 3.851 0 50 EHAA Sc1nnc(-c2cc3c(s2)CCCCC3)n1C[C@@H]1CCCO1 6925615 UQSAGFXYWRQWMC-LBPRGKRZSA-N 335.498 3.743 0 50 EHAA CCCn1cc(C(=O)CN2C(=O)COc3ccccc32)c2ccccc21 10008360 SQJYVELQQCFIEW-UHFFFAOYSA-N 348.402 3.660 0 50 EHAA Cc1cccc(OCC(=O)Nc2ccccc2OC[C@@H]2CCCO2)c1 10155817 YQBVJVGPHFAEFT-KRWDZBQOSA-N 341.407 3.570 0 50 EHAA OCC1(C[C@H]2CCCCO2)CCN(Cc2cc3ccccc3o2)CC1 14965020 GMAWPWGZTFDMRI-GOSISDBHSA-N 343.467 3.967 0 50 EHAA COc1ccc(C(=O)N[C@H]2CCCc3nc(-c4ccccc4)ncc32)o1 14968520 OISJZYZCCMGNJP-INIZCTEOSA-N 349.390 3.553 0 50 EHAA CCCCn1ncc(C)c1NC(=O)CC1CC(C)(C)NC(C)(C)C1 55182684 CNWOVBJRVIQTCA-UHFFFAOYSA-N 334.508 3.877 0 50 EHAA CC(C)CN(Cc1cnn(C)c1)Cc1ccc([C@@H]2CCCCO2)o1 55245209 VVJYYNCQQBVSPE-SFHVURJKSA-N 331.460 3.913 0 50 EHAA Cc1cc(C)n([C@H](C)CNC(=O)CCSCc2ccc(F)cc2)n1 65388123 VNTVXFOUQYVQTA-OAHLLOKOSA-N 349.475 3.640 0 50 EHAA O=C1C[C@@H](c2cnc3ccccc3n2)c2c(-c3cccs3)n[nH]c2N1 65397770 USNTUDOFBHZXEI-JTQLQIEISA-N 347.403 3.556 0 50 EHAA COc1ccc(CN2CC[C@H](c3ccccc3C(=O)O)C2)c(C)c1C 72145215 RWWDMKXGMJYCFH-KRWDZBQOSA-N 339.435 4.000 0 50 EHAA Cc1nn2c(N[C@@H](C)c3ncc[nH]3)cc(-c3ccccc3)nc2c1C 72476701 ASNWYYOAKRAPQH-AWEZNQCLSA-N 332.411 3.909 0 50 EHAA COc1cccc(-c2cc(C(=O)N[C@@H](C)C3=CCCCC3)[nH]n2)c1 91690028 VPQUASKXJKKICU-ZDUSSCGKSA-N 325.412 3.704 0 50 EHAA c1ccc(CN2CCC[C@H](c3nccn3Cc3cscn3)C2)cc1 95390223 BWGPCSCLJZQKSL-KRWDZBQOSA-N 338.480 3.768 0 50 EHAA CC(C)(C)NC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 95495673 OIKHVRLRILOSOI-QGZVFWFLSA-N 340.423 3.569 0 50 EHAA COC(=O)/C=C/c1cc(Br)ccc1OC(F)(F)F 97756920 PSEFKGFTGTWYHP-GORDUTHDSA-N 325.080 3.534 0 50 EHAA O=C(NCCCc1ccc(O)cc1)N[C@@H]1CCOC2(CCCCC2)C1 170674799 NIZKJSCEUXASMZ-QGZVFWFLSA-N 346.471 3.506 0 50 EHAA Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCOC3)cn2)cc1C 170793685 GATGMPMQOJLZOO-OAHLLOKOSA-N 326.396 3.856 0 50 EHAA O=C(NCc1cccnc1)N1CCc2cc(-c3ccccc3)oc2C1 176371899 JUNSXHZUCPHMTG-UHFFFAOYSA-N 333.391 3.610 0 50 EHAA CC[C@@H](NC(=O)c1ncncc1Cl)c1ccccc1OC(F)F 176540678 FIJFTIQGZUDFFQ-LLVKDONJSA-N 341.745 3.613 0 50 EHAA COCc1noc([C@H](C)N2CCC(c3ccc(Cl)cc3)CC2)n1 185798260 ZTQNHMDLVXOTTE-LBPRGKRZSA-N 335.835 3.810 0 50 EHAA Cn1ccc2ccc(NC(=O)Nc3ccccc3C[S@](C)=O)cc21 190283800 IUTGETJOYYEXPD-DEOSSOPVSA-N 341.436 3.701 0 50 EHAA Cc1oc(-c2cccs2)nc1CN(C)CCCc1nccn1C 215863074 ZMSDPWQWSBQPDA-UHFFFAOYSA-N 330.457 3.510 0 50 EHAA Cc1c(CN2CCC[C@H](c3ncn[nH]3)C2)[nH]c2ccc(Cl)cc12 216344112 OIOKXTPPKNAZFW-LBPRGKRZSA-N 329.835 3.627 0 50 EHAA O=C(CNc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 225471021 BFVUSODAJIEZMH-UHFFFAOYSA-N 345.402 3.990 0 50 EHAA Cc1ccc(CN(C)C(=O)N[C@H]2CCc3c(Cl)cccc32)nc1 241132780 JLOQRRZARTWSTH-KRWDZBQOSA-N 329.831 3.872 0 50 EHAA C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cc(C(=O)O)ccn1 263378934 CAQBAXHNUJTCSE-RYUDHWBXSA-N 346.814 3.697 0 50 EHAA C[C@H](NC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1)c1cn[nH]c1 280931268 OZVUSSFHULBAKX-ZDUSSCGKSA-N 346.862 3.887 0 50 EHAA Cc1csc(C(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 295968136 IGLBJEMYFVTKHZ-QWHCGFSZSA-N 347.440 3.658 0 50 EHAA CN(CC(=N)O)C(=O)c1cccc(NCc2ccc(F)cc2Cl)c1 330033221 XRUHFELCGFTYJL-UHFFFAOYSA-N 349.793 3.698 0 50 EHAA CCC(C)(C)OCc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CC(O)C2 408514047 VFJQCRFIEMMDSB-HOTGVXAUSA-N 346.471 3.911 0 50 EHAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ncoc1C(C)C 731982039 QTXVQKCPYUUZMY-UHFFFAOYSA-N 341.411 3.595 0 50 EHAA C[C@H](Sc1nccn1-c1ccc(N(C)C)cc1)c1cnccn1 767140388 MUXORQXRTWURFT-ZDUSSCGKSA-N 325.441 3.582 0 50 EHAA CCc1nc([C@@H](C)NC(=O)c2ccc3c(c2)C(C)(C)CO3)cs1 810383325 ACGKNXVKQYFADO-LLVKDONJSA-N 330.453 3.867 0 50 EHAA CC(C)(CNC(=O)c1cc(O)c2ccsc2c1)C1CCOCC1 887388465 JPTKINJPVGFGDM-UHFFFAOYSA-N 333.453 3.790 0 50 EHAA c1ccc(-n2ccnc2)c(CNCc2ccc([C@H]3CCCCO3)o2)c1 952960266 VIWUQXWBGOROTE-LJQANCHMSA-N 337.423 3.997 0 50 EHAA COc1cc(F)ccc1CN1CCC([C@H](O)c2cccs2)CC1 952978450 CIZPVHCHBSNKCJ-SFHVURJKSA-N 335.444 3.841 0 50 EHAA CCCN(Cc1cccc(OC)c1)C(=O)c1cnc(O)c(Cl)c1 1506407725 LEXJPSORRDZXGJ-UHFFFAOYSA-N 334.803 3.502 0 50 EHAA Cc1nc(C)n(CCCn2ccnc2-c2coc(-c3ccccc3)n2)n1 1857676227 QBSPVKTVLDPAHB-UHFFFAOYSA-N 348.410 3.504 0 50 EHAA C[C@@H](NC(=O)Cc1ccc2n[nH]cc2c1)c1cc2cc(F)ccc2o1 1875262172 DCBIPDXNVYUXEE-LLVKDONJSA-N 337.354 3.868 0 50 EHAA CN(c1cc(Cl)nc([C@@H]2CCCO2)n1)[C@@H]1C[C@H]1c1ccccc1 2325761516 LGZRAUGMCUDOOJ-ZNMIVQPWSA-N 329.831 3.974 0 50 EHAA CN1CCC[C@@]2(CCCN2Cc2ccccc2-c2ccccc2)C1=O 2356156606 KGVVDKRRVXMTSI-JOCHJYFZSA-N 334.463 3.940 0 50 EHAA Nc1nnc(SCC(=O)c2ccc(-c3ccccc3)cc2)s1 36092 KLRKJVZGVZOVTI-UHFFFAOYSA-N 327.434 3.762 0 50 EHAA COc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 243054 YEZNWJXSLILKQG-UHFFFAOYSA-N 332.208 3.803 0 50 EHAA Cc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)no1 806121 RMYDGGWNVYNADF-UHFFFAOYSA-N 330.365 3.576 0 50 EHAA COc1ccc(-c2cc(C(F)(F)F)n3nc(C)cc3n2)cc1OC 4335584 FRUGMFKLCHBTKU-UHFFFAOYSA-N 337.301 3.741 0 50 EHAA Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccccc1F 4842502 YPASEWAWDSUPFX-UHFFFAOYSA-N 327.384 3.596 0 50 EHAA CCOc1ccc(CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 6741304 GSTDDSMNQWBXAH-CQSZACIVSA-N 343.423 3.522 0 50 EHAA O=C(O)c1ccc(Br)c(OC(F)F)c1Br 8698298 MYABBCIHLRGMEC-UHFFFAOYSA-N 345.921 3.511 0 50 EHAA in-vitro CN(C(=O)C1CCCCC1)[C@H]1CCCN(Cc2ccccc2F)C1 12302909 LSDUDPCMZQBEQF-SFHVURJKSA-N 332.463 3.829 0 50 EHAA Cc1cccc(-n2cc(-c3ccnc(NCc4cc(C)on4)n3)cn2)c1 23380348 IFJJMGGYTJFSDX-UHFFFAOYSA-N 346.394 3.546 0 50 EHAA CCc1ccc(O)c(-c2cc(C(=O)NCc3ccc(C)cc3)[nH]n2)c1 28231793 WLAKMEJUUOQSBN-UHFFFAOYSA-N 335.407 3.583 0 50 EHAA CC(C)(C)OC(=O)N1C[C@@H](CO)[C@H](c2ccccc2C(F)(F)F)C1 34927144 YLLMJWZDOOUCRJ-WCQYABFASA-N 345.361 3.648 0 50 EHAA in-vitro CCC(CC)n1ncc(C)c1NC(=O)C(=O)Nc1ccccc1Cl 55327499 XUBUWROSRSKPAD-UHFFFAOYSA-N 348.834 3.783 0 50 EHAA CCCn1nc(C)c(CNCc2c[nH]nc2-c2ccc(F)cc2)c1C 55387163 VIKIQBNZEPCKFJ-UHFFFAOYSA-N 341.434 3.729 0 50 EHAA CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)n(-c2ccccc2)n1 61719482 DLMCTZKJYPVKGG-UHFFFAOYSA-N 349.390 3.977 0 50 EHAA Cc1cc(C)c2nc(-c3cnn(C)c3)cc(C(=O)N3CCC[C@H]3C)c2c1 63834479 BCYGQTFRLNQZKW-OAHLLOKOSA-N 348.450 3.877 0 50 EHAA CCCN(CC)Cc1ccccc1-c1nc2c(c(=O)[nH]1)CCCCC2 63846761 XYJLDHQWYDVTFB-UHFFFAOYSA-N 339.483 3.938 0 50 EHAA O[C@@H]1CN(C2CCCCCCC2)CC[C@H]1c1ccc2c(c1)OCO2 67869215 SWXQUGBZCXALCG-ZWKOTPCHSA-N 331.456 3.678 0 50 EHAA Cc1nc2c(c(N[C@@H](Cc3ccccc3)c3ccccc3)n1)CCNC2 67894908 MKCWXJOJIBNUSW-FQEVSTJZSA-N 344.462 3.827 0 50 EHAA O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CC[C@H]1NC1CCCC1 72148321 IKVLEZNTXUNGJV-UXHICEINSA-N 339.483 3.670 0 50 EHAA Cc1nc(CC(=O)NCC2(c3ccccc3F)CCCC2)cs1 72477536 GKDRGTVEPYWROZ-UHFFFAOYSA-N 332.444 3.761 0 50 EHAA CCCc1cc(C(=O)N(Cc2ccccc2)CC2CCC2)n(C)n1 77353347 XRCLOBYKOFASHX-UHFFFAOYSA-N 325.456 3.815 0 50 EHAA Cn1cccc1-c1cc(C(=O)N2CCCCC[C@@H]2c2ccco2)[nH]n1 82098178 CZISGAIBPXODPA-QGZVFWFLSA-N 338.411 3.766 0 50 EHAA Cc1ccc(SCCCN(C)C(=O)c2ccc3nccn3c2)cc1 91390846 JPHCCCJPXOYTOV-UHFFFAOYSA-N 339.464 3.897 0 50 EHAA O=C(CCNC(=O)Nc1ccccc1C1CC1)NC1CCCCC1 95510557 AGJQFULNFZLCAV-UHFFFAOYSA-N 329.444 3.525 0 50 EHAA CNc1cc(C(=O)N[C@H](c2cccnc2)c2cc(C)ccc2C)ccn1 97634996 XFPZNPFCVVZXGZ-HXUWFJFHSA-N 346.434 3.655 0 50 EHAA Cc1nn(C(C)C)c(C)c1CN(C)C(=O)c1ccc2ncsc2c1 97756545 UFHKJUPTEHBKBC-UHFFFAOYSA-N 342.468 3.963 0 50 EHAA O=C(c1ccccc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 104049461 ONAFYSXUZBYFOI-TUFLPTIASA-N 336.479 3.722 0 50 EHAA Cc1cccc(CNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)n1 170611005 JYJFYLYHIJREOK-ZDUSSCGKSA-N 329.366 3.510 0 50 EHAA O=C(NC1(c2nccs2)CCCC1)c1ccc2c(c1)OCCCO2 172255202 JPAXNSBFJXJWAX-UHFFFAOYSA-N 344.436 3.504 0 50 EHAA Cc1nnc(CN2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)o1 175932424 QQYSLHNUCWXXGG-LBPRGKRZSA-N 342.226 3.728 0 50 EHAA Cc1ccc([C@@H]2COCCN2C(=O)c2cccn2C2CCCC2)o1 181986194 MVCRXHJZJCICTC-KRWDZBQOSA-N 328.412 3.718 0 50 EHAA CCN(C(C)=O)c1nc(CN2CCc3cc(C)cc(C)c3C2)cs1 186467826 LAUOBGWQUWXSQI-UHFFFAOYSA-N 343.496 3.691 0 50 EHAA FC(F)(F)c1cccc(-c2noc([C@H]3CCn4ccnc4C3)n2)c1 193154168 PVDKDXXPEDHWIF-NSHDSACASA-N 334.301 3.682 0 50 EHAA Cc1cccc([C@H](NC(=O)c2cccc(Cn3cccn3)c2)C2CC2)n1 215092831 UDRZLXCGXPICOQ-HXUWFJFHSA-N 346.434 3.516 0 50 EHAA C[S@](=O)CCNCc1ccc(-c2cccc(Cl)c2Cl)o1 225395403 GZEAGKCQZFNURH-FQEVSTJZSA-N 332.252 3.722 0 50 EHAA c1ccc(Oc2ccnc(N[C@@H]3CCO[C@]4(CCSC4)C3)n2)cc1 239667912 BRXYABHUAZXSII-RDTXWAMCSA-N 343.452 3.736 0 50 EHAA CCCOc1ccc(CNC(=O)c2sc(COC)nc2C)c(C)c1 241961238 UQNTUBWUGNSKSO-UHFFFAOYSA-N 348.468 3.625 0 50 EHAA Cc1cc(Cl)ccc1C(=O)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 247948499 XNHKFGGOGVNZFR-WMZOPIPTSA-N 346.902 3.985 0 50 EHAA CC[C@H](C)c1ccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 248205391 ZTERHPBNBUAQMA-WBHUJUFNSA-N 332.469 3.593 0 50 EHAA O=C(C1SCCS1)N1CCC[C@H]1c1nc2ccccc2s1 270406235 MCCXBOWPAHYPRU-NSHDSACASA-N 336.507 3.766 0 50 EHAA CCN(Cc1nc(Cc2ccccc2C)no1)[C@@H]1CCOC(C)(C)C1 290003329 ZGHCNYJCDOEBNH-QGZVFWFLSA-N 343.471 3.748 0 50 EHAA CC[C@H]1C[C@H](CC(=O)N=c2ccc3cccc(Cl)c3[nH]2)CCO1 332436264 GTNQOTLXFMNFDX-OCCSQVGLSA-N 332.831 3.844 0 50 EHAA C[C@H](NC(=O)c1cccc(Br)c1F)c1cncc(F)c1 346533788 UPCOQCCIXASTMZ-QMMMGPOBSA-N 341.155 3.613 0 50 EHAA C[C@@H](C1CC1)n1cc(N[C@H](C)c2cccc(N3CCOCC3)c2)cn1 427896761 WHYJQBWRKRTLJM-CVEARBPZSA-N 340.471 3.864 0 50 EHAA COC[C@H]1CN(C(=O)Nc2c(Cl)ccc(C)c2C)CC(C)(C)O1 499837555 FLLXDVHMJYVPPG-CYBMUJFWSA-N 340.851 3.615 0 50 EHAA Cc1noc(C)c1CN(C)[C@H](C(=O)O)c1ccc(Cl)cc1Cl 833020963 FWIPGGNXJJXMAJ-AWEZNQCLSA-N 343.210 3.856 0 50 EHAA CC[C@H](C[C@H](C)O)Nc1nc(-c2ccccn2)nc2sccc12 866304461 YCGSZKRTYUQKBU-NWDGAFQWSA-N 328.441 3.715 0 50 EHAA O=C(Nc1c(-c2ccccc2)[nH]c2ccccc12)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 933828175 HVNSMVXRJHSKKA-FVQHAEBGSA-N 347.418 3.537 0 50 EHAA C=Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1 1474862405 QUOCYKHIJCEEMZ-SFHVURJKSA-N 345.439 3.865 0 50 EHAA CCn1cncc1CN(Cc1ccc(OC)cc1)Cc1ccccn1 1506414722 SYZNVCRELQZYIL-UHFFFAOYSA-N 336.439 3.509 0 50 EHAA O[C@@H]1CCC[C@]12CCCN(c1ncnc3sc4c(c13)CCCC4)C2 1704332539 QYPPDOGIUIAWQA-DNVCBOLYSA-N 343.496 3.702 0 50 EHAA CCc1cc(C(=O)N2CC[C@H](Cc3ccccc3)C2(C)C)c(C)nn1 1875391901 AMZVOHGSYOUNAE-QGZVFWFLSA-N 337.467 3.831 0 50 EHAA CC(=O)N1CC[C@@H](NCC2CC(C(F)(F)F)C2)c2ccccc2C1 2325777842 JMNAHUKQYZLXCL-PUJMQQBBSA-N 340.389 3.658 0 50 EHAA 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3.592 0 50 EHAA CCc1cnc(NCc2cccnc2N2CCCCCCC2)nc1 67587134 IAFVWBRBGKQZPJ-UHFFFAOYSA-N 325.460 3.817 0 50 EHAA COCCN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67587999 LVRHOGWKHCNNFL-UHFFFAOYSA-N 333.815 3.553 0 50 EHAA O=C1NCCCC[C@@H]1n1ccnc1-c1ccc2cccc(Cl)c2n1 67674281 HXHRHIDTGTUHDL-HNNXBMFYSA-N 340.814 3.593 0 50 EHAA COc1cc2c(cc1OC)C(=O)C(C)(C)N(Cc1ccccc1)C2 71929133 DFSQTMCJMGNPMB-UHFFFAOYSA-N 325.408 3.681 0 50 EHAA Cc1nc(CN2CCC[C@H](C(=O)CCc3ccccc3)C2)cs1 72158101 LEUMMZJLDNUCOY-KRWDZBQOSA-N 328.481 3.865 0 50 EHAA O=C(c1cncc(Cl)c1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 72454075 MTADNMIONUITTH-HNNXBMFYSA-N 344.777 3.728 0 50 EHAA CN(CCn1cccn1)C(=O)c1ccc(-c2ccccc2Cl)o1 91434663 WNCPTUCTEULISU-UHFFFAOYSA-N 329.787 3.569 0 50 EHAA CCc1nc(CCNC(=O)c2ccc(-c3ccccc3Cl)o2)no1 91563086 LHDWHUKEFNJUDJ-UHFFFAOYSA-N 345.786 3.518 0 50 EHAA C[C@@]1(c2nc(CCc3ccccc3)nn2CC(F)(F)F)CCCO1 96152712 ZNAGYPYNXLNNSG-INIZCTEOSA-N 339.361 3.651 0 50 EHAA COCc1ccc([C@H]2CCCN2CCOc2cccc(OC)c2)o1 131263876 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337.423 3.656 0 50 EHAA Cc1cccc(Cl)c1NC(=O)NCC1CCC2(CC1)OCCO2 192427486 QINIEDSXARXHMT-UHFFFAOYSA-N 338.835 3.703 0 50 EHAA CCOc1cc(C)ccc1S(=O)(=O)Nc1cccc2cccnc12 214077942 QGIKJAYNOHHHSY-UHFFFAOYSA-N 342.420 3.743 0 50 EHAA Cc1c(CN2CCC[C@@H](c3ncn[nH]3)C2)[nH]c2ccc(Cl)cc12 216344163 OIOKXTPPKNAZFW-GFCCVEGCSA-N 329.835 3.627 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccccc2)cc1 239128733 KRSKQKFYTQFWTJ-XAMWDVODSA-N 345.398 3.577 0 50 EHAA O=C(CCn1ccc2ccccc21)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O 253396050 KEHBWXPCFDVISV-RLLQIKCJSA-N 340.467 3.574 0 50 EHAA Cc1cc(NC2CCN(C(=O)c3ccoc3)CC2)c2ncccc2c1 253419690 GFICVPCYBBJOGI-UHFFFAOYSA-N 335.407 3.853 0 50 EHAA c1ccc([C@H]2C[C@@H]2c2nc(C3CCOCC3)nn2-c2cccnc2)cc1 253595835 JMIRFHACSUZPAP-MOPGFXCFSA-N 346.434 3.827 0 50 EHAA CC(C)Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc1 328588461 PQXBWEHSNYPKQD-MAUKXSAKSA-N 340.471 3.513 0 50 EHAA CCCn1nc(C)c(CNC[C@H]2CCO[C@@H]2c2ccccc2)c1C 328628336 NPTADZARQOYOJL-UYAOXDASSA-N 327.472 3.777 0 50 EHAA CC(C)N(C(=O)c1ccccc1F)c1ccc(CC(=O)N(C)C)cc1 408515712 MFLLANAWKNPHOL-UHFFFAOYSA-N 342.414 3.512 0 50 EHAA CC[C@@H](C)C(=O)Nc1ccccc1C(=O)NCCc1cccs1 822560083 TZEHVFYAMZLEDZ-CYBMUJFWSA-N 330.453 3.705 0 50 EHAA C[C@H](NC[C@@H]1CC2(CCNCC2)CO1)c1ccc(F)c2ccccc12 873294680 XXYGGCNQTUNICZ-HOTGVXAUSA-N 342.458 3.788 0 50 EHAA CC(C)[C@H]1OCC[C@H]1C(=O)Nc1scnc1-c1ccc(F)cc1 886041412 RDJQLDXPSUXAPC-UKRRQHHQSA-N 334.416 3.949 0 50 EHAA CN(C)c1ccc(Cl)cc1NC(=O)[C@@H](c1ccc(F)cc1)N(C)C 952873086 FZRMJAYYCUYVIP-QGZVFWFLSA-N 349.837 3.787 0 50 EHAA CCOC1CC(CC(=O)N2CCCC[C@@H]2Cc2ccc(O)cc2)C1 1159110565 AFKZBAIFJMEXMU-TVRKMHQQSA-N 331.456 3.521 0 50 EHAA C[C@H](NCCC(=O)O)c1nc(-c2ccc(F)c(Cl)c2)cs1 1775996583 QMBIOZIPIPUDFP-QMMMGPOBSA-N 328.796 3.728 0 50 EHAA Cc1nccc(Oc2ccc(NC(=O)N[C@H](C)c3ccncc3)cc2)n1 1875261236 BFYIHMZYZWNONL-CYBMUJFWSA-N 349.394 3.855 0 50 EHAA CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@H]1C(=O)O)c1ccc(Cl)cc1 2325820596 GGQXIYWMPVLWME-OWCLPIDISA-N 337.847 3.839 0 50 EHAA 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3.836 0 50 EHAA C[C@@H](Oc1ccc2c(c1)CCC2)c1nnc(S)n1Cc1ccco1 17071420 ZIJSHQDRHAXNIH-GFCCVEGCSA-N 341.436 3.837 0 50 EHAA CCC[C@@H](C)c1n[nH]c2c1CN(Cc1c3ccccc3nn1C)CC2 19111504 SIOOWPMUABJFAU-CQSZACIVSA-N 337.471 3.758 0 50 EHAA O=c1c2ccc(F)cc2ncn1CC[C@H]1CCCCN1C1CCCC1 32541119 VKWWACLTUCFTOV-QGZVFWFLSA-N 343.446 3.723 0 50 EHAA CCc1cc(C(=O)Nc2ccccc2C(=O)N(C)c2ccccc2)on1 55402171 ABUVTMDMGXZVHP-UHFFFAOYSA-N 349.390 3.766 0 50 EHAA CC(C)N1CCC[C@@H](Cn2ccnc2-c2ccc(-n3ccnc3)cc2)C1 71761542 IWCXJCPERKYZGY-GOSISDBHSA-N 349.482 3.856 0 50 EHAA CCN(C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 72473700 IFDMLGLBZRSYFL-UHFFFAOYSA-N 349.434 3.779 0 50 EHAA O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 72479897 JFYTUIHACCNKBW-INIZCTEOSA-N 349.369 3.556 0 50 EHAA Cc1nccn1C[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 77287456 MNAZFAQNJBGVGV-KRWDZBQOSA-N 333.439 3.565 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N3CCC[C@H]3Cn3cccn3)c2c1 77439793 YEMNMEGFILQZIM-KRWDZBQOSA-N 348.450 3.607 0 50 EHAA 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O=C(c1ccc(-c2cccs2)cc1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356162418 BKVSHTGREGAURF-FVQHAEBGSA-N 327.449 3.933 0 50 EHAA CCOC(=O)c1c(N)sc(C(=O)Nc2ccc(Cl)cc2)c1C 68159 STKCJIQMTZBUQU-UHFFFAOYSA-N 338.816 3.721 0 50 EHAA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccccc1F 271361 VBNGILJPIROIEY-UHFFFAOYSA-N 334.778 3.568 0 50 EHAA Cc1ccccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1 359358 APZJJIQLEDFZKF-UHFFFAOYSA-N 325.286 3.911 0 50 EHAA C[C@H](N[C@H](C)[C@@H]1COc2ccccc21)c1ccc([S@](C)=O)cc1 246510577 UAKSUFWQJPDQSL-HKMSGOHHSA-N 329.465 3.639 0 50 EHAA COc1ccc(-c2nnc(NC(=O)c3ccccc3F)s2)cc1 1208895 RVVSFOMFILLRPH-UHFFFAOYSA-N 329.356 3.605 0 50 EHAA CS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 1426086 RLYFVNMSDZNFEH-UHFFFAOYSA-N 344.219 3.649 0 50 EHAA O=S(=O)(Oc1ccc(Br)cc1)c1ccc(Cl)cc1 1687056 KPNQFZZXCDGNTH-UHFFFAOYSA-N 347.617 3.870 0 50 EHAA Cc1nn2c(N3CCN(C)CC3)cc(C(C)C)nc2c1-c1ccccc1 2324502 FMCLMNGRRYGFMH-UHFFFAOYSA-N 349.482 3.580 0 50 EHAA COc1ccc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)cc1 2354346 KGIOJCGXKPEEIP-UHFFFAOYSA-N 349.795 3.665 0 50 EHAA O=C(c1ccc2ccccc2c1)N1CCC[C@@]12CCCN(C1CC1)C2=O 2356137885 DIVOMXZHEGGVJX-JOCHJYFZSA-N 348.446 3.599 0 50 EHAA CCc1ccc(CN2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 4744998 NGZGVRZUOVROIX-HXUWFJFHSA-N 328.500 3.864 0 50 EHAA Cc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 7720149 TWNMBBVQVUQIPY-UHFFFAOYSA-N 341.798 3.971 0 50 EHAA Cc1c(C(=O)NC2CCCCC2)sc2nc3ccc(N)cc3n12 7992856 VWOMTTIMBHBPBI-UHFFFAOYSA-N 328.441 3.502 0 50 EHAA aggregator,in-vitro O=C(Nc1ccc(Cl)cc1)N1CCN(Cc2cccc(F)c2)CC1 20437762 VWILGDKYOWUEGP-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA O=C(C1=CCCC1)N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1 20386820 CLYPEESRMKETHS-GOSISDBHSA-N 335.451 3.817 0 50 EHAA O=C(c1csc(-c2ccc(F)cc2)n1)N1CC(CC(F)F)C1 425081641 CURLLYNBYLPGOI-UHFFFAOYSA-N 326.343 3.676 0 50 EHAA Cc1ccoc1C(=O)N1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 67975771 KQCKGSAVLLONRA-KRWDZBQOSA-N 333.391 3.675 0 50 EHAA COc1ccc(-c2nccn2CC(=O)Nc2ccccc2C)c(F)c1 72406846 IOHGHMFJFMQRJQ-UHFFFAOYSA-N 339.370 3.645 0 50 EHAA Cc1ccc(-c2cccc(C(=O)N(CCO)Cc3cccs3)c2)o1 216323727 JPQUVNJTYOTLLL-UHFFFAOYSA-N 341.432 3.951 0 50 EHAA O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1csnn1 32593930 MLADTASYPILQRK-UHFFFAOYSA-N 349.375 3.507 0 50 EHAA CN(Cc1nccs1)C(=O)Nc1cc(F)ccc1OCC1CC1 241774159 RNNYJFUPIUKFMB-UHFFFAOYSA-N 335.404 3.735 0 50 EHAA C[C@@H](C(=O)N(Cc1ccco1)c1ccccn1)N1CCc2ccccc21 179143609 VQQTZVPBBFOEPA-INIZCTEOSA-N 347.418 3.659 0 50 EHAA O=C1N(Cc2cccc(F)c2F)CCC[C@@]12CCN(CC1CCC1)C2 426423097 QXUONFKFARZUBU-FQEVSTJZSA-N 348.437 3.579 0 50 EHAA COc1ccc2c(c1)C=C(CN1CCCC[C@H]1c1cc(C)on1)CO2 97527375 ONUCZWGADBSWAZ-IBGZPJMESA-N 340.423 3.995 0 50 EHAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 90712178 LKQDFQLSEHWIRK-FLFMNZAJSA-N 334.500 3.710 0 50 EHAA CCN(Cc1nc(C)no1)C(=O)c1ccc(-c2ccccc2Cl)o1 91327008 KDWQOJDWZRXPRH-UHFFFAOYSA-N 345.786 3.954 0 50 EHAA Clc1ccc(COc2cccc(-c3nc4c([nH]3)CCNC4)c2)cc1 97654024 PFHBCBMJZWDOHM-UHFFFAOYSA-N 339.826 3.955 0 50 EHAA O=C(N[C@@H]1COC2(CCCC2)C1)c1ccc(CN2CCCCC2)cc1 95390149 YSMRSNGHXFNYIM-IBGZPJMESA-N 342.483 3.504 0 50 EHAA C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 182202851 LTTXHZIBUTYNSA-KUHUBIRLSA-N 332.407 3.695 0 50 EHAA O=C(c1ccc(Cl)cn1)N1CCC2(CC1)OCCc1ccsc12 352205773 IJYJCUVNHYLYOF-UHFFFAOYSA-N 348.855 3.501 0 50 EHAA COc1cccc(-c2cnc(-c3cccnc3)nc2[C@@H]2CCCNC2)c1 299778129 PSHGGMLQAIHGEJ-MRXNPFEDSA-N 346.434 3.681 0 50 EHAA CN(CCN(C)C1CCCC1)C(=O)Nc1ccc(Cl)cc1F 299773651 GUNYVAQTTKTTFL-UHFFFAOYSA-N 327.831 3.817 0 50 EHAA Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc2c(c1)CCO2 825205137 BNNQMTQQBPYROV-QGZVFWFLSA-N 337.419 3.962 0 50 EHAA CCc1noc(C)c1C(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 823565491 FAORJRFRGPWGSJ-MRXNPFEDSA-N 344.411 3.746 0 50 EHAA COc1cccc(C)c1C(=O)NCCCN1CCCc2ccccc21 824795727 XIRCZFZZEOZTSS-UHFFFAOYSA-N 338.451 3.576 0 50 EHAA CC(C)(C)c1coc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)n1 896034890 YLTHQMNZJFHTGP-GXTWGEPZSA-N 349.381 3.606 0 50 EHAA O=C(NC1(c2cccc(C(F)(F)F)c2)CCOCC1)C1CC=CC1 278434409 VFMYGOYGNYXCSZ-UHFFFAOYSA-N 339.357 3.794 0 50 EHAA C[C@@H]1CCC[C@H](OCC(=O)Nc2ccc(N3CCCCC3)cn2)C1 170626230 YQMBGLYNPONBBT-WBVHZDCISA-N 331.460 3.606 0 50 EHAA Cc1cccc(O)c1NS(=O)(=O)c1ccccc1C(F)(F)F 194241507 LZTSMFUDIGQIAJ-UHFFFAOYSA-N 331.315 3.520 0 50 EHAA c1ccc2c3c([nH]c2c1)C1(CCN(Cc2ccncc2)CC1)OCC3 1704333475 AKZMSMOFHUCUMO-UHFFFAOYSA-N 333.435 3.627 0 50 EHAA O=C(CCc1cccc(F)c1)N[C@H]1CCCN(CC2CCCCC2)C1 11662869 SQJQHHWZHHSWTR-FQEVSTJZSA-N 346.490 3.919 0 50 EHAA COCCN(Cc1nc(-c2ccc(OC)c(C)c2)oc1C)C(C)C 12440117 MVVRSFQGDFYAAY-UHFFFAOYSA-N 332.444 3.824 0 50 EHAA COc1cc(Cl)c(C[C@H]2C(=O)Nc3c(C)cccc32)cc1OC 15017400 NIKDKJMCKKYTKK-CYBMUJFWSA-N 331.799 3.944 0 50 EHAA CCOc1cc(CN2CCN(C3CCCCC3)CC2)ccc1OC 19831827 GFXAGGHUXBVALP-UHFFFAOYSA-N 332.488 3.544 0 50 EHAA O=C(C1CCCC1)N1CCC(Cc2nc(-c3ccccc3)no2)CC1 169754753 GEYAGFGNGGSAPN-UHFFFAOYSA-N 339.439 3.708 0 50 EHAA OC[C@@H](c1ccc(F)cc1)n1ccnc1-c1cccc2ncccc12 1857695287 CPEIVISSOUFPDP-IBGZPJMESA-N 333.366 3.819 0 50 EHAA CC[C@@]1(CO)C[C@@H]2CC[C@H]1N2C(=O)C(c1ccccc1)c1ccccc1 1857695299 CZZDWINQNAFDJU-MZKRTTBSSA-N 349.474 3.971 0 50 EHAA O=C(c1c(Cl)cncc1Cl)N1CC[C@]2(C1)OCc1ccccc12 347023756 NYLMRIYORKCMKJ-QGZVFWFLSA-N 349.217 3.660 0 50 EHAA CC(C)[C@@H](Nc1ncc2c(n1)CCCC2)c1ccc2c(c1)OCCO2 2325865380 AEQFHVGXYYNWHL-LJQANCHMSA-N 339.439 3.936 0 50 EHAA CC1(C)CN(S(=O)(=O)c2coc3ccccc23)[C@@H]1c1ccncc1 907205278 ACHFJPOTIWZLDE-QGZVFWFLSA-N 342.420 3.600 0 50 EHAA CC[C@H]1C(=O)C(C)(C)C(=O)O[C@@H]1c1cccc(Br)c1 87340 WQODTAZBDZLKLW-VXGBXAGGSA-N 325.202 3.669 0 50 EHAA COc1ccc(OC)c(NC(=O)c2ccccc2Br)c1 101513 HDXJPXBBMPRJKN-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA COc1cccc(-c2cc(C(=O)Nc3ccc(C(C)=O)cc3)no2)c1 423693 FEFAPBNRPFTKAU-UHFFFAOYSA-N 336.347 3.805 0 50 EHAA CC1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 465394 IDFLLYMCUVPBPR-HXUWFJFHSA-N 325.452 3.825 0 50 EHAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nc2ccc(Cl)cc2s1 484063 QWHZBNHBBJIOFC-ZJUUUORDSA-N 338.816 3.779 0 50 EHAA COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccccc2)c1 713041 ZJOGWMBYPVOFPC-NSHDSACASA-N 333.771 3.533 0 50 EHAA CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O[C@@H](C)CC)cc1 1085151 PZMKNRGLZYFPOT-BMGDILEWSA-N 345.439 3.948 0 50 EHAA COc1ccc([C@@H](C)NC(=O)[C@H](C)Cc2ccccc2)cc1OC 1172657 QPZKLGDMYIJKSE-HUUCEWRRSA-N 327.424 3.760 0 50 EHAA CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccco1 1422527 QQNBFEUBFZYPAJ-UHFFFAOYSA-N 344.392 3.935 0 50 EHAA Cc1nn2c(N3CCOCC3)cc(C(C)C)nc2c1-c1ccccc1 2331927 NULASUUEBOYICQ-UHFFFAOYSA-N 336.439 3.665 0 50 EHAA O=C(CSc1ncnc2c1oc1ccccc12)Nc1nccs1 2467179 BEFHXKGMZRDMLW-UHFFFAOYSA-N 342.405 3.563 0 50 EHAA O=C(NC1CCCCCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12 2777572 HJIBHBIKCDUNGI-UHFFFAOYSA-N 348.397 3.997 0 50 EHAA Cc1ccc(C(=O)NCc2ccccc2)cc1NC(=O)c1ccco1 3506525 ZOEFASNYCHXUTN-UHFFFAOYSA-N 334.375 3.770 0 50 EHAA O=C1N/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1F 4498341 DRJKNMNAVMEPGG-OQLLNIDSSA-N 330.746 3.572 0 50 EHAA CC[C@H](Oc1ccccc1)c1nn2c(-c3cccnc3)nnc2s1 4938800 LYASADNLROMNNN-AWEZNQCLSA-N 337.408 3.778 0 50 EHAA OCCc1nc2ccccc2n1CCCOc1ccccc1Cl 8786156 IUMBHUGRPPTNQK-UHFFFAOYSA-N 330.815 3.694 0 50 EHAA C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCO2 12380844 HKVQGQCQZKWNMR-ZDUSSCGKSA-N 335.359 3.975 0 50 EHAA Cc1cc2nc(CNc3nncc(-c4ccc(F)cc4)n3)[nH]c2cc1C 12469793 MWTVVOVUQACUES-UHFFFAOYSA-N 348.385 3.783 0 50 EHAA CCc1noc(C)c1C(=O)Nc1sc(C)cc1C(=O)OC(C)C 13327234 NWMSYSYSTZULBX-UHFFFAOYSA-N 336.413 3.733 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 20279155 USOTZJVSWRKFGK-QGZVFWFLSA-N 342.826 3.892 0 50 EHAA O=C([C@H]1CC=CCC1)N1CCC[C@@H]2CN(Cc3cccs3)CC[C@H]21 20725742 UAVGTLKTEFEOPG-YQVWRLOYSA-N 344.524 3.917 0 50 EHAA COc1ccc(-c2cc3ncc4c(n3n2)-c2ccccc2OC4)cc1 21729173 BLWFPMPDCYBBSU-UHFFFAOYSA-N 329.359 3.964 0 50 EHAA CC(C)(O)c1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12 43203640 PTIFVLOBVCIMKL-UHFFFAOYSA-N 327.815 3.690 0 50 EHAA COc1ccc(C=O)cc1COc1ccc(C(=O)OCC(C)C)cc1 45796235 RMQHGNAVKZXJQW-UHFFFAOYSA-N 342.391 3.900 0 50 EHAA Cc1nccn1[C@@H](C)c1nc(C2CC2)nn1-c1cccc2cccnc12 65431512 YGEMJWUOSFWQGR-ZDUSSCGKSA-N 344.422 3.807 0 50 EHAA CCCCc1nc(-c2nccn2[C@@H](C)c2nc(CC)no2)c(Cl)[nH]1 71753315 KWWHJXINACSBKU-JTQLQIEISA-N 348.838 3.824 0 50 EHAA O=C(O)[C@@H](Cc1ccco1)n1ccnc1-c1coc(-c2ccccc2)n1 71754102 WJXYFUHSZPMWLT-MRXNPFEDSA-N 349.346 3.667 0 50 EHAA CCn1cnnc1CCn1ccnc1-c1oc2ccc(C)cc2c1C 82107369 NVDNMRHWTDUWOJ-UHFFFAOYSA-N 335.411 3.767 0 50 EHAA CC[C@]1(C(=O)O)CCCN(Cc2cnc(-c3cccc(C)c3)nc2)C1 91536877 ICGMOJGTPJUXOD-FQEVSTJZSA-N 339.439 3.529 0 50 EHAA Cc1ccc(F)c(C(=O)N2CCC[C@@H](c3nccn3C)C2)c1Cl 91665378 FMEBNNMWKXLULC-GFCCVEGCSA-N 335.810 3.541 0 50 EHAA Cc1ccc(SCCN(C)c2nc(C)nc3oc(C)nc23)cc1 91745390 YSBXOKLGBNMGDG-UHFFFAOYSA-N 328.441 3.772 0 50 EHAA COc1ccc2c(C)c(C(=O)NC[C@@H](C)n3nc(C)cc3C)oc2c1 91966325 DXWYSHNQALAYCR-CYBMUJFWSA-N 341.411 3.554 0 50 EHAA CC(C)(C)OC(=O)N1CCC(c2cc(Cl)nc(Cl)n2)CC1 95704844 SMWIHIPPDLQJIX-UHFFFAOYSA-N 332.231 3.898 0 50 EHAA COc1ccc2[nH]c(CN3CCC[C@@H](c4ccncn4)C3)c(C)c2c1 97475580 YORXTDFBTRVSDO-OAHLLOKOSA-N 336.439 3.655 0 50 EHAA Cc1cccc(OCC(=O)N(C)[C@H]2CCCc3nc(C)sc32)c1 110525051 IJGWSOLHDOVFMS-INIZCTEOSA-N 330.453 3.675 0 50 EHAA C[C@H]1CCC[C@@H](C)CN1C(=O)c1ccc(-c2nnc(S)o2)cc1 124358679 FLJIWVIZLHUJMY-NEPJUHHUSA-N 331.441 3.676 0 50 EHAA CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 155480695 NOQSQPVNWDPWRF-HNNXBMFYSA-N 334.423 3.682 0 50 EHAA CCOC(=O)c1c(C)c(Br)c(C)n1C(=O)OC(C)(C)C 169725980 YAEQZCXURJIDNP-UHFFFAOYSA-N 346.221 3.827 0 50 EHAA c1ccc([C@H](Nc2cccc(Cn3cnnc3)c2)c2ccncc2)cc1 170070258 RKFVUMZRBGHLHU-NRFANRHFSA-N 341.418 3.923 0 50 EHAA CC1(C)CCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl 173507553 SUHCKLHYKQTPSZ-UHFFFAOYSA-N 349.784 3.957 0 50 EHAA Cn1cccc1[C@H]1CCCCN1C(=O)CCn1cnc2ccccc21 174403749 ONZCTPAVDNIVRC-LJQANCHMSA-N 336.439 3.519 0 50 EHAA C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1ccc2c(c1)NC(=O)C2 181808048 BHXWSYPEARUPQI-CYBMUJFWSA-N 348.402 3.690 0 50 EHAA COc1cccc2c1CC[C@@H]2NC(=O)C1(Cc2ccccc2F)CC1 188517384 QXGSLRFEBIEOHA-SFHVURJKSA-N 339.410 3.961 0 50 EHAA O=C(CCC(=O)c1ccc(F)cc1)NCc1ccc2ccccc2n1 216142127 XWFSNLBSKVIDQC-UHFFFAOYSA-N 336.366 3.653 0 50 EHAA OCC[C@@H](Nc1ncc(Cl)cc1Br)c1ccco1 225602458 JVRBFXOMOSMDFB-SNVBAGLBSA-N 331.597 3.626 0 50 EHAA Clc1ccc(CN[C@@H](c2ccccc2)c2nnc[nH]2)c2ncccc12 240551673 GVHKWPFPXJQIHM-SFHVURJKSA-N 349.825 3.886 0 50 EHAA O=C(c1cc(C(F)(F)F)n[nH]1)N1CCCC[C@H]1c1cccc(F)c1 244633160 FXTISYQXRYFRQA-ZDUSSCGKSA-N 341.308 3.935 0 50 EHAA Cc1nn(C)c(Cl)c1[C@@H]1CCCN1[C@H](C)c1nc(C2CC2)no1 257365315 KMTMEUSCUMQJBL-PWSUYJOCSA-N 335.839 3.540 0 50 EHAA Cc1nc(CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)cs1 261912310 XTRDJQVIELHMCX-MRXNPFEDSA-N 333.526 3.657 0 50 EHAA C[C@@H]1COc2ccccc2CN1C(=O)CCC(=O)c1cccs1 272987273 RHADSGHKMVTTLQ-CYBMUJFWSA-N 329.421 3.521 0 50 EHAA Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1csc2ccccc12 275532556 MBMXKOFRQXALGV-RDJZCZTQSA-N 327.453 3.645 0 50 EHAA O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H]1c1noc(C2CC2)n1 299754096 JJBIEEJKUIKMNM-OAGGEKHMSA-N 341.386 3.553 0 50 EHAA C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(CCC(=O)O)CC1 320778031 RKFWSJBUUYJKEF-LBPRGKRZSA-N 327.371 3.926 0 50 EHAA O=C(N[C@H]1CCCC12CCOCC2)N1CCCC[C@@H]1c1nccs1 332708939 JWQXFJMFXDHIFI-CABCVRRESA-N 349.500 3.729 0 50 EHAA O=C(O)CCCc1nc2ccccc2c2nc(C3CCCCC3)nn12 408525815 OMARIXYMDIBWOB-UHFFFAOYSA-N 338.411 3.733 0 50 EHAA C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1ccc(F)c(F)c1 445641921 JJWWNVFITGDVLL-SNVBAGLBSA-N 345.324 3.985 0 50 EHAA CC[C@H](CC(F)F)C(=O)Nc1[nH]nc2c1c(-c1ccccc1)nn2C 457563169 KITJRMXTELKNHH-SNVBAGLBSA-N 347.369 3.583 0 50 EHAA CC1(C)C[C@@]1(C(=O)NCCOc1ccccc1F)c1cccs1 826626528 GGBJTRMJOQJGQE-SFHVURJKSA-N 333.428 3.750 0 50 EHAA CCN1CC[C@H](CN(CC)Cc2cc3ccc(Cl)cc3nc2O)C1 952973362 IQMPUASEQPOUKJ-AWEZNQCLSA-N 347.890 3.758 0 50 EHAA CN(CC(=O)Nc1cc(Cl)ccc1N(C)C)Cc1ccc(F)cc1 952975973 DJZUGWIUIBRAFK-UHFFFAOYSA-N 349.837 3.616 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)CCCc3ccc(F)cc3)C[C@@H]21 1704300533 XGHWTVYCQDWWCS-IMFGXOCKSA-N 333.447 3.548 0 50 EHAA Cc1cc(C(=O)Nc2nccc(-c3ccccn3)n2)c2ccccc2n1 1875248594 ZLXDSBCUOZVRCA-UHFFFAOYSA-N 341.374 3.648 0 50 EHAA O=C(c1ccc(-c2ccsc2)cc1)N1CC[C@H](CN2CCCC2)C1 1875283311 NKMFMJYBHOOQAV-MRXNPFEDSA-N 340.492 3.973 0 50 EHAA CC1(C)[C@@H](N)c2ccccc2N1C(=O)CCc1ccnc2ccccc12 2325760219 SNASELDHLCBCIR-NRFANRHFSA-N 345.446 3.993 0 50 EHAA CC[C@@H](c1ccc(F)cc1)n1cc([C@@](C)(O)c2ccccc2)nn1 2325787637 MZDPNHJCAPCMOO-HKUYNNGSSA-N 325.387 3.672 0 50 EHAA Cc1nc([C@H]2CCCN2Cc2noc(-c3ccccc3F)n2)[nH]c1C 2325793046 DARRPWBYTVZTOV-OAHLLOKOSA-N 341.390 3.553 0 50 EHAA CN(C)c1ccc(-c2ccnc(N(C)CCC[C@H]3CCCO3)n2)cc1 2356152755 ZOZIQKDFHQHIBY-SFHVURJKSA-N 340.471 3.605 0 50 EHAA COc1ccc(-c2nnc(SCC(=O)c3ccc(C)o3)o2)cc1 39086 AQLVMHQIPWBCAV-UHFFFAOYSA-N 330.365 3.622 0 50 EHAA O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(Br)cc1 197986 IDIOJJCKAATIRB-UHFFFAOYSA-N 344.164 3.808 0 50 EHAA Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cccnc2)cc1 233388 PLIACWIWRWIRLF-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA CCOc1ccccc1NC(=S)NC(=O)c1cc2ccccc2o1 303520 IRJGBKJIMDZTAP-UHFFFAOYSA-N 340.404 3.958 0 50 EHAA CCOc1ccc([C@@]2(C)N(O)[C@@H](CC)C(c3ccccc3)=[N+]2[O-])cc1 460207 ZDBDMQMQRXWMFY-ICSRJNTNSA-N 340.423 3.741 0 50 EHAA CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(C(C)(C)C)s2)c1 466538 XVZMWIPAMXCMAQ-UHFFFAOYSA-N 346.456 3.682 0 50 EHAA COc1ccc(O[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1 1480440 PGDQDKBCXAJABB-GFCCVEGCSA-N 340.634 3.543 0 50 EHAA COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(C)on1 2795064 RCLOWYZPWATXHA-UHFFFAOYSA-N 342.376 3.750 0 50 EHAA COC(=O)c1ccccc1OCCCOc1ccc(C)cc1OC 2987049 HMEQYHVBFBFYHM-UHFFFAOYSA-N 330.380 3.638 0 50 EHAA aggregator CCCCOc1ccccc1NC(=O)c1scc2c1OCCO2 3622986 OOHFPLKRWFALDZ-UHFFFAOYSA-N 333.409 3.951 0 50 EHAA OCc1ccccc1Oc1ccc(I)cc1 4091829 MZZAVJVDQDFIFU-UHFFFAOYSA-N 326.133 3.576 0 50 EHAA Cc1ccc2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2n1 4797744 FLPUONBKZIGLOR-UHFFFAOYSA-N 333.796 3.964 0 50 EHAA Cc1cc(OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc(C)c1Cl 5051617 DRPZDBYGBLRKOR-HRCADAONSA-N 325.880 3.959 0 50 EHAA COC(=O)[C@H](NC(=O)/C(=C/c1cccs1)c1ccccc1)C(C)C 5522712 UWDBERSKXABICY-NWNNTGRJSA-N 343.448 3.603 0 50 EHAA O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1 7410088 AINTWHSKOYPFSI-UHFFFAOYSA-N 333.743 3.742 0 50 EHAA COc1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 8160503 ROEGILVRBNYKQR-SFHVURJKSA-N 327.380 3.505 0 50 EHAA CC(C)c1nc2cc(C(=O)N(CC3CC3)C[C@@H]3CCCO3)ccc2o1 11874329 HKNTWZAZEDZWPG-INIZCTEOSA-N 342.439 3.982 0 50 EHAA Cc1cc(C)n(C[C@H](C)C(=O)Nc2ccc(Br)cc2)n1 12420428 PJBDHGMVJIHOTQ-JTQLQIEISA-N 336.233 3.537 0 50 EHAA O=C(C1CCCC1)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 12762376 GOLGHJOITIUMBQ-MRXNPFEDSA-N 341.373 3.666 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCOCC2)cc1 14400490 WOJVCCLSBVKWLX-UHFFFAOYSA-N 330.815 3.737 0 50 EHAA CC(=O)Oc1cn(C(C)=O)c2cc(Cl)c(Br)cc12 15020095 QOSOMKUVYQFRDU-UHFFFAOYSA-N 330.565 3.643 0 50 EHAA in-vitro Cc1cccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 16115080 TYIHHNCRRQFXLI-YBEGLDIGSA-N 326.783 3.741 0 50 EHAA CN1CCN(C(=O)C[C@H](c2ccccc2)c2cccc(Cl)c2)CC1 20534199 DLIHRQFBHYDMOC-LJQANCHMSA-N 342.870 3.636 0 50 EHAA O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc(O)c1 23633888 VZLOIANYYLRPTN-UHFFFAOYSA-N 326.135 3.650 0 50 EHAA CCc1oc2ccccc2c1-c1nccn1C[C@H]1CC(=O)N(CC)C1 71752095 MLHYGMYNADQMDD-AWEZNQCLSA-N 337.423 3.727 0 50 EHAA O=C1CCCN1[C@H]1CCCN(Cc2ccccc2-c2ccccc2)C1 71753217 BQTYCHQJYQOMCA-FQEVSTJZSA-N 334.463 3.940 0 50 EHAA CN(C)Cc1csc(CN(C)Cc2cccc3ncccc23)c1 72121654 KVJNTZPTCRSYRM-UHFFFAOYSA-N 325.481 3.990 0 50 EHAA CC[C@H]1CN(Cc2cc3ccccc3nc2OC)CCN1C(C)C 72145200 BNNZAAYEZCWGSR-SFHVURJKSA-N 327.472 3.548 0 50 EHAA Cc1ccccc1[C@@H]1CCCN(C(=O)c2nn(C)c3c2CCCC3)C1 77287458 IWIPQXOKXZBKMQ-MRXNPFEDSA-N 337.467 3.627 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 91997950 CPPWSSKSLIDNNC-CYBMUJFWSA-N 347.846 3.585 0 50 EHAA CNC(=O)c1ccc(C)c(NC(=O)NCCSC2CCCCC2)c1 96139471 MYGMZPRCYIGJLG-UHFFFAOYSA-N 349.500 3.542 0 50 EHAA Cn1ncc(CSc2nc3cc(F)c(F)cc3[nH]2)c1C(F)(F)F 121289007 FYXPULKGLQPZAA-UHFFFAOYSA-N 348.300 3.886 0 50 EHAA CCCn1c(C)nnc1CN1CCC[C@@H]1c1nc2ccccc2s1 152445138 VHNOOJHVHVMFRN-OAHLLOKOSA-N 341.484 3.943 0 50 EHAA C[S@](=O)Cc1cc(NCc2cccc3cn[nH]c23)ccc1Cl 170594046 VAQIHLSFJQFORV-QFIPXVFZSA-N 333.844 3.707 0 50 EHAA O=C(N1CCC[C@H]1c1ccccn1)C1(N2CCCCC2)CCCCC1 215318146 QVMHKEBFPYORJP-IBGZPJMESA-N 341.499 3.934 0 50 EHAA CCn1ccc2cc(CN3CCN(C4CCSCC4)CC3)ccc21 215634381 DTEFDLNBLVNWNS-UHFFFAOYSA-N 343.540 3.674 0 50 EHAA CN1Cc2ccc(CN(C)C(=O)CCc3c[nH]c4ccccc34)cc2C1 223215698 LHGBZOXADQJVFW-UHFFFAOYSA-N 347.462 3.705 0 50 EHAA COC1(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CCC(C)CC1 225429656 XJQVBKPIBBJDTR-AWTNTWDUSA-N 337.410 3.780 0 50 EHAA CCCCN(C)c1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1 241564192 OSBNNCCSBRJLQU-YLJYHZDGSA-N 343.515 3.622 0 50 EHAA CN(CCC(=O)Nc1ccc(F)c(Cl)c1)C1CCSCC1 252500697 TUFXITUNSFCFHO-UHFFFAOYSA-N 330.856 3.635 0 50 EHAA O=C(CN1CCCC[C@@H]1c1cccc(F)c1)NCc1cccs1 252502181 UNDMMNFSKXXZQY-QGZVFWFLSA-N 332.444 3.731 0 50 EHAA Cn1nc(-c2nc([C@@H]3CCCc4ccccc43)no2)cc1OC(F)F 274738073 MJTJWILWZLXNTI-GFCCVEGCSA-N 346.337 3.540 0 50 EHAA CN1CCC([C@@H]2CCN(C(=O)Nc3ccsc3Cl)C2)CC1 275609380 IEBNBZMOKRCNGI-GFCCVEGCSA-N 327.881 3.597 0 50 EHAA CC(=O)Nc1ccc(-c2noc([C@@H](C)N3[C@@H](C)CC[C@H]3C)n2)cc1 276891010 HOZMEAUECVRNCF-FRRDWIJNSA-N 328.416 3.629 0 50 EHAA CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc2nc(C)ccc2o1 281918410 VKLDISFNRAPLRT-OAHLLOKOSA-N 338.411 3.720 0 50 EHAA Cc1sccc1C(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 296215349 VWMWAGKRYATACM-ZIAGYGMSSA-N 347.440 3.658 0 50 EHAA Cc1cc(C)cc(C2(c3noc(C(=O)N4CCC[C@@H](C)C4)n3)CC2)c1 333227421 NIOKOHAETRJEAT-CYBMUJFWSA-N 339.439 3.638 0 50 EHAA COc1cc(C(=O)N[C@@H](c2cccnc2)C(C)C)c2ccccc2n1 534648506 LCSOVTZZMUARHD-LJQANCHMSA-N 335.407 3.766 0 50 EHAA Cc1cnc(CNc2ncc(Br)cc2C(F)(F)F)[nH]1 693512646 JTKAGJHHWDJPMR-UHFFFAOYSA-N 335.127 3.507 0 50 EHAA CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1ccnc(-n2ccnc2)c1 817703130 MMTSHAQTNZHMPN-GOSISDBHSA-N 346.434 3.676 0 50 EHAA Cc1cc2c(cc1CN1CCC[C@@H]1c1nc3ccccc3n1C)OCO2 825151065 FFVKGKDYPVTUIE-GOSISDBHSA-N 349.434 3.948 0 50 EHAA CC(=O)NC1(c2noc(-c3cc(F)cc4ccoc34)n2)CCCCC1 901919639 VOPBPKMXSQYGAR-UHFFFAOYSA-N 343.358 3.917 0 50 EHAA O=C(O)C12CCC(C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)(CC1)C2 909728626 FJWDLYPQHKOKRW-AMZMEHNNSA-N 341.451 3.549 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)N1Cc2ccccc2[C@@H](O)C1 952971356 NVHLBCYOIYSNNA-IXYLRAAXSA-N 325.452 3.669 0 50 EHAA CCn1cncc1CN(C/C=C/c1ccccc1)C[C@@H]1CCCO1 1506403523 CCVNYYADOYAYGQ-FXVWLTTGSA-N 325.456 3.597 0 50 EHAA COc1ccc(NC(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)cc1Cl 1704336753 MSIMIUPSLVDYHL-WBVHZDCISA-N 338.835 3.508 0 50 EHAA CN1C[C@@]2(CCCN(c3nc4cc(C(C)(C)C)ccc4o3)C2)OC1=O 1857674953 FHLHMSMEBCQPRF-LJQANCHMSA-N 343.427 3.546 0 50 EHAA COc1ccc(C(=O)N2CCCCCC2)cc1NCc1cnsc1 1875284599 AWLWMQBDUQMGGB-UHFFFAOYSA-N 345.468 3.780 0 50 EHAA O[C@H](Cc1ccccc1)c1cn(-c2ccccc2C(F)(F)F)nn1 2325821436 OGGITLGAYCEAKN-MRXNPFEDSA-N 333.313 3.562 0 50 EHAA O=C1CC[C@H](CC2CCCCC2)N1Cc1cc(-c2ccccn2)n[nH]1 2325854122 OPCRCCXKHRKDPD-QGZVFWFLSA-N 338.455 3.933 0 50 EHAA Cn1ccnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 96406 SOYUHJYOWVUMRD-UHFFFAOYSA-N 349.765 3.823 0 50 EHAA CC[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 102055 SSHSAQLRFAAESF-LJQANCHMSA-N 326.415 3.668 0 50 EHAA Ic1nc2ccccc2n1Cc1ccccc1 255375 PZILGOUWKSNMFH-UHFFFAOYSA-N 334.160 3.689 0 50 EHAA CN(C(=O)c1ccccc1)[C@H]1c2c(ccc3ccccc23)OC[C@@H]1CO 1393261 QWXBVIALYCCYET-LAUBAEHRSA-N 347.414 3.654 0 50 EHAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCCc1ccccc1 2861761 HUZBVYPCBHXEPE-UHFFFAOYSA-N 346.430 3.593 0 50 EHAA CCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 2865885 UUVNYPCBBXOXBP-UHFFFAOYSA-N 325.865 3.553 0 50 EHAA COc1ccc(CNCCc2c[nH]c3ccccc23)c(OC)c1OC 2900323 MEIWHCODWVXPKN-UHFFFAOYSA-N 340.423 3.526 0 50 EHAA Cc1ccc(-c2noc(CN(C(=O)c3ccco3)C(C)C)n2)cc1 4487166 UXHQOEWSNPPRFL-UHFFFAOYSA-N 325.368 3.689 0 50 EHAA COc1ccc(-c2cc(N3CCNC[C@@H]3C)c3ccccc3n2)cc1 4542895 OOBNRRMBCKHQPS-HNNXBMFYSA-N 333.435 3.709 0 50 EHAA C[C@H]1CCc2cc(F)ccc2N1C(=O)C(=O)c1c[nH]c2ccccc12 4772194 DEVSFRQWOVTDSX-LBPRGKRZSA-N 336.366 3.858 0 50 EHAA C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO 6067794 CYKYBWRSLLXBOW-DATPGIFZSA-N 334.500 3.568 0 50 EHAA in-vitro Fc1ccc(OCc2nnc3sc(-c4ccccc4)nn23)cc1 6746587 OPXKKVJHTJQHIE-UHFFFAOYSA-N 326.356 3.571 0 50 EHAA CCOC(=O)c1c(C)[nH]c(CCC(=O)Nc2ccc(C)c(F)c2)c1C 8619519 JZGAPMVJKXESFG-UHFFFAOYSA-N 346.402 3.827 0 50 EHAA COc1ccc(CC[C@H]2CCCN(C(=O)c3ccc(C)nc3)C2)cc1 11878334 PEISPXJWYCWXIR-GOSISDBHSA-N 338.451 3.884 0 50 EHAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)C=C(C)C)O2 12039352 DFDSLYWRPPNXHP-GOSISDBHSA-N 349.430 3.942 0 50 EHAA COCCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 12404280 OUTXGUCSFMWSOU-UHFFFAOYSA-N 339.313 3.983 0 50 EHAA COc1ccc(CCNC(=O)Nc2ccc(C)c(F)c2)cc1OC 13320188 GMVLRMFAZVFRAE-UHFFFAOYSA-N 332.375 3.516 0 50 EHAA COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(C)nn12 13645409 NPMZCZQDCXOOIT-UHFFFAOYSA-N 336.178 3.798 0 50 EHAA CCc1c(C)sc2[nH]c(=S)n(Cc3cnn(CC)c3C)c(=O)c12 17072452 DWCIYZGDCZUUJF-UHFFFAOYSA-N 348.497 3.565 0 50 EHAA COc1ccccc1CN1CCC[C@@H](c2[nH]ncc2CC(C)C)C1 19594832 YWTCZYLLEHCAQG-QGZVFWFLSA-N 327.472 3.996 0 50 EHAA O=c1ccc(-c2ccccc2)nn1Cc1ccccc1Br 40267403 KKOGXRLYTVCLNU-UHFFFAOYSA-N 341.208 3.721 0 50 EHAA Cc1ccc2nc(C)c(C(=O)N3CCCC[C@@H]3CCC(=O)O)cc2c1 55392897 MFWHADRGQPSTOV-MRXNPFEDSA-N 340.423 3.711 0 50 EHAA CCC(CC)N(C)C(=O)c1cc(COc2ccc(C(C)=O)cc2)on1 67934787 CEPWAYGTIJMLCW-UHFFFAOYSA-N 344.411 3.717 0 50 EHAA Fc1c(Cl)cccc1CN1CCCC[C@H]1CCN1CCOCC1 72152852 CRWXRLQFWOOCAZ-INIZCTEOSA-N 340.870 3.556 0 50 EHAA Cc1nc(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)cs1 77339630 QNNPNRYSQYURPO-SFHVURJKSA-N 343.496 3.881 0 50 EHAA Nc1ccsc1C(=O)N1CCCC[C@@H]1CCc1cccc(O)c1 91425145 UDEFQWLMPAIBNZ-CQSZACIVSA-N 330.453 3.663 0 50 EHAA CC(C)c1nc(CCNC(=O)[C@@H]2CCOc3ccccc3C2)cs1 97797222 FZFLDMZGXYNZQI-OAHLLOKOSA-N 344.480 3.567 0 50 EHAA CCSc1cccc(-c2cncc(C(=O)N3CCCCC3)n2)c1 97797695 AZAOEGCWINIBHU-UHFFFAOYSA-N 327.453 3.882 0 50 EHAA CC(C)S(=O)(=O)Cc1cccc(NCc2ccc(F)c(F)c2)c1 117869584 VBCHYHLZHGNYNF-UHFFFAOYSA-N 339.407 3.900 0 50 EHAA Cc1cc(Cl)ccc1C(=O)N1CCc2c(nc(C(C)C)n2C)C1 128466944 JVLMPQVMXPTXMJ-UHFFFAOYSA-N 331.847 3.704 0 50 EHAA C[S@@](=O)C[C@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 173141872 CMCQXHHHMIPKRX-GAJHUEQPSA-N 349.883 3.509 0 50 EHAA CC[C@@H](CSC)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 181495054 MARCDICEACMSFX-AWEZNQCLSA-N 346.500 3.594 0 50 EHAA CC(C)c1cccc(-c2ccc(C(=O)N(CCO)CC(F)F)o2)c1 194399905 HQMMHPCEFWQECP-UHFFFAOYSA-N 337.366 3.770 0 50 EHAA CCN(Cc1cnn(CC)c1)Cc1ccc(OC)c(OC)c1Cl 215876208 WWPBFSILKOIMRZ-UHFFFAOYSA-N 337.851 3.596 0 50 EHAA CCNC(=O)[C@@H]1CCN(Cc2ccc(Sc3ccc(C)cc3)o2)C1 215959377 WSRCMTAQULXGHL-OAHLLOKOSA-N 344.480 3.697 0 50 EHAA O=S(=O)(Cc1ccc(-n2ccnc2)cc1)c1ccc2ccccc2c1 225685373 JIUJZHIDPGMGGD-UHFFFAOYSA-N 348.427 3.999 0 50 EHAA CC(=O)c1ccn(Cc2ncc(-c3ccc(Br)cc3)o2)n1 225823925 ORKKRKDVIMMETN-UHFFFAOYSA-N 346.184 3.552 0 50 EHAA O=C(CC1CCCC1)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 244873417 WQAIAYAUNRHPBG-PLMTUMEDSA-N 338.451 3.743 0 50 EHAA C[C@H](CCc1ccc(O)cc1)NC(=O)[C@@H]1CCCCN1C1CCCC1 253431370 GWCYOXOQMXOOOS-UZLBHIALSA-N 344.499 3.627 0 50 EHAA Cc1cc(CN(C)C(=O)Nc2ccc(OC(C)C)c(Cl)c2)n[nH]1 299772448 YAWKIGAAEIBGAG-UHFFFAOYSA-N 336.823 3.823 0 50 EHAA C[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1ccc2c(c1)COC2 358234491 GEAMOTRMUQLBDF-HNNXBMFYSA-N 333.435 3.968 0 50 EHAA O=C(NCC[C@H]1CCOC1)c1ccc(-c2ccc3cc[nH]c3c2)cc1 426478943 OVKVJQSQVSLVMP-HNNXBMFYSA-N 334.419 3.991 0 50 EHAA COc1ccc([C@@H](NC(=O)N2CCCCCC2)c2ccncc2)cc1 426493197 NXTKOUJZAGNVRF-LJQANCHMSA-N 339.439 3.765 0 50 EHAA COc1cc(C)cc(OC)c1-c1c[nH]c(C(=O)N2CCCCC2)c1 426574764 CFKDNELMVUTDPI-UHFFFAOYSA-N 328.412 3.633 0 50 EHAA COc1ccc(S(=O)(=O)N[C@H](CC(C)(C)C)c2cccnc2)cc1 670467779 SQEKOJSCTALFKP-QGZVFWFLSA-N 348.468 3.546 0 50 EHAA O=C(C[C@@H]1NC(=O)c2ccccc21)N[C@H]1CCC[C@H](c2ccccc2)C1 827811636 RUOHBGYFCNKTRC-ZWOKBUDYSA-N 348.446 3.704 0 50 EHAA O=C(Cc1cc2cc(Cl)ccc2[nH]1)N[C@H]1CCCc2cccnc21 885386207 WTTZSARDULEWAA-KRWDZBQOSA-N 339.826 3.953 0 50 EHAA Cc1ccc(NC(=O)C2CCCC2)cc1NC(=O)[C@@]1(C)CCCO1 952989138 VGFMRUDEKBFAPS-LJQANCHMSA-N 330.428 3.631 0 50 EHAA CC(=O)c1cc(CN2CCC[C@H](COc3ccccc3C)C2)n(C)c1 1506410870 VFBLSAIGAMXPSD-SFHVURJKSA-N 340.467 3.827 0 50 EHAA O=C1NCCc2ccc(-n3ccnc3-c3ccc(Cl)s3)cc21 1772817525 SJBKXQNVIRHQFG-UHFFFAOYSA-N 329.812 3.540 0 50 EHAA Cc1c(CNc2cccc([C@H]3CCCC(=O)N3)c2)cnn1C1CCC1 1875290907 HZCIRLHLUKHKBI-LJQANCHMSA-N 338.455 3.870 0 50 EHAA Cn1c(N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)nc2cnccc21 1875331552 MTWFAZURBNSDBP-ZDUSSCGKSA-N 346.356 3.981 0 50 EHAA Cn1nc(-c2nc([C@@H]3CCc4ccccc4C3)no2)cc1C(F)(F)F 2325850654 DUHATRDGVUMJPJ-GFCCVEGCSA-N 348.328 3.761 0 50 EHAA Cc1ccc2sc(=NCc3cnn(C(F)(F)F)c3)[nH]c2c1C 2325868955 RNUKYHOOMYMYEL-UHFFFAOYSA-N 326.347 3.620 0 50 EHAA O=C(O)c1cccc2c1-c1ccc(I)cc1C2 135407 CUQWLXGXIQEWQY-UHFFFAOYSA-N 336.128 3.561 0 50 EHAA CC(=O)[C@@H](C)n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 145081 RAAPKQCTOQNXEV-SECBINFHSA-N 332.812 3.928 0 50 EHAA Cc1cc(C)n(Cc2ccc(C(=O)NCCC3=CCCCC3)o2)n1 551877 JWOMDCDVNMEZNV-UHFFFAOYSA-N 327.428 3.762 0 50 EHAA Cc1nn(C)c(C)c1NC(=S)Nc1cccc(C(F)(F)F)c1 611295 ANYXDEBCEJKACD-UHFFFAOYSA-N 328.363 3.865 0 50 EHAA CCC(CC)C(=O)Nc1ccc(OC)c(NC(=O)c2ccco2)c1 613747 QWANJRJOTFBCFV-UHFFFAOYSA-N 330.384 3.915 0 50 EHAA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)C1 4902225 JAECESZJDZEUAG-RYQLBKOJSA-N 329.440 3.571 0 50 EHAA CCC(=O)Nc1cccc(NC(=O)COc2c(C)cccc2C)c1 9230766 DRSOOVHTYQZUEB-UHFFFAOYSA-N 326.396 3.669 0 50 EHAA CC[C@H](C)c1ccc([C@@H](CC)NC(=O)c2c(C(=O)O)cnn2C)cc1 20616513 OBQVDMOPTVHBGL-BLLLJJGKSA-N 343.427 3.513 0 50 EHAA O=c1c2ccc(Cl)cc2ncn1CC1(N2CCCCC2)CCCC1 32511851 JIOMGTAPUHOKAK-UHFFFAOYSA-N 345.874 3.849 0 50 EHAA COc1cccc(-c2nccnc2C)c1C(=O)N(C(C)C)C(C)C 32551051 QQKUWCJNAYVBQE-UHFFFAOYSA-N 327.428 3.720 0 50 EHAA Cc1cc(C)cc(Oc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 40451246 HRMHHNNXVGSQJJ-CQSZACIVSA-N 325.364 3.533 0 50 EHAA CCC(CC)n1nc(C)cc1NC(=O)COc1ccc(C(C)=O)cc1 55169108 ASLGZUCNLITWER-UHFFFAOYSA-N 343.427 3.773 0 50 EHAA CCc1cccc(OCCCN(C)C(=O)c2ccc(COC)o2)c1 55327354 QCNVYQQCLXLNHQ-UHFFFAOYSA-N 331.412 3.530 0 50 EHAA CCOc1ccc(-c2c[nH]c(-c3cnn4cccnc34)n2)cc1OCC 67690358 QJDGUYYNHTVYFB-UHFFFAOYSA-N 349.394 3.584 0 50 EHAA Cc1cc(-c2c(-c3ccccc3)ncn2Cc2c(C)noc2C)[nH]n1 67948067 IWBZQQMQEZECCV-UHFFFAOYSA-N 333.395 3.902 0 50 EHAA CCc1nc(Cn2ccnc2-c2c(C)cc(C)c(C(C)=O)c2C)no1 71753705 PVPTWBKWRJQPMK-UHFFFAOYSA-N 338.411 3.672 0 50 EHAA COc1ccc(NC(C)=O)cc1-n1ccnc1[C@H](C)c1ccccc1 72411920 LOWFROHZVJBSOY-CQSZACIVSA-N 335.407 3.991 0 50 EHAA Clc1cc(NCc2nc(Cc3cccs3)no2)nc2[nH]ccc12 72423563 JLQDOOGVIWCDJI-UHFFFAOYSA-N 345.815 3.864 0 50 EHAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3cnc(C)s3)C2)cc1 77419296 IBMJDGAYUJEUFF-HNNXBMFYSA-N 330.453 3.691 0 50 EHAA CCc1noc(C)c1C(=O)N1CCC[C@@H](COc2ccc(C)cc2)C1 77423870 FFMLJUJQYQADHQ-MRXNPFEDSA-N 342.439 3.785 0 50 EHAA CC(C)c1noc([C@H]2CCCN2Cc2noc(-c3ccccc3)n2)n1 77505467 CBGDMAVUBRGEMX-CQSZACIVSA-N 339.399 3.580 0 50 EHAA Cc1cc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)c(=O)[nH]c1C 91575168 NKJLXPZOEZJKBJ-SFHVURJKSA-N 342.414 3.888 0 50 EHAA Cc1cc(C)c(NC(=O)N(C)Cc2c(C)nc3ccccn23)c(C)n1 95509206 VTODOTUJRUSDJS-UHFFFAOYSA-N 337.427 3.627 0 50 EHAA Cc1cc2c(NS(=O)(=O)c3ccc(N)cc3)ccc(C)c2nc1C 100680496 NEVHTFGKPCFPNB-UHFFFAOYSA-N 341.436 3.543 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2OCCc3ccccc32)cc1OCC(F)F 119218223 KGMHSJSOEQVMTP-GOSISDBHSA-N 347.361 3.891 0 50 EHAA Cc1ccc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 123492689 COZFRGNOGNXGGT-ZIAGYGMSSA-N 339.313 3.555 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)s1 129001574 FQYGDRXHWWCLKW-UHFFFAOYSA-N 339.486 3.639 0 50 EHAA CN(C)[C@@H](CN[C@@H]1CCCCc2ccc(Cl)cc21)c1cnn(C)c1 130142928 CLKCVNAPHHQZPN-MOPGFXCFSA-N 346.906 3.734 0 50 EHAA Cc1csc(C2(NC(=O)C[C@H]3CSCCS3)CCCC2)n1 132492520 AUZUVEKSMLIMOZ-LBPRGKRZSA-N 342.555 3.576 0 50 EHAA C[C@H](c1cn(-c2ccccc2)nn1)[S@](=O)C/C=C/c1ccccc1 155613530 UORCRESFCRVOMU-VPZSCQLLSA-N 337.448 3.790 0 50 EHAA O=C(O)[C@H](Cc1ccccc1)NCc1csc(-c2cccs2)n1 170090798 IFVHGNKQAPAKPM-AWEZNQCLSA-N 344.461 3.657 0 50 EHAA COc1ccc(-n2cnc(Cl)c2C(=O)Nc2ccccc2)cc1 170624843 VPOOAKRMOZNJTI-UHFFFAOYSA-N 327.771 3.787 0 50 EHAA Cc1nnc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)nc3)c2)o1 174369351 FRHFDFNKQCJTAC-UHFFFAOYSA-N 348.284 3.711 0 50 EHAA C[C@@H](CNC(=O)NCCc1cc2ccccc2o1)c1nccs1 184287296 ZIEMLTMWKJDHDS-LBPRGKRZSA-N 329.425 3.535 0 50 EHAA CC(C)(O)[C@H]1CCCN1Cc1ccc(OCc2ccccc2F)nc1 187306508 FHHPYJLPPKEWHC-GOSISDBHSA-N 344.430 3.535 0 50 EHAA Clc1ccc(OC[C@H]2CCCCO2)c(NC2CCOCC2)c1 187807879 QYCBKDKWFXUJRB-OAHLLOKOSA-N 325.836 3.879 0 50 EHAA CN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 190945863 KFPMDKOOLIPHPY-HKUYNNGSSA-N 342.414 3.745 0 50 EHAA COc1cccc2c1CC[C@H](NCc1nc(C(F)(F)F)cs1)C2 192443233 BPAZXKSGNZUKRA-NSHDSACASA-N 342.386 3.818 0 50 EHAA C[C@@H](Nc1cccc(CN(C)Cc2cscn2)c1)[C@H]1CCOC1 195099799 SNMXFPKBTHFJIE-ZBFHGGJFSA-N 331.485 3.612 0 50 EHAA COc1ccccc1CONC(=O)c1c(-c2ccccc2)noc1C 225625402 BZMVGPCYHKNMAS-UHFFFAOYSA-N 338.363 3.520 0 50 EHAA CC(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(N3CCCCC3)nc2)no1 252500171 SOFTZNNMJPKIBZ-NVXWUHKLSA-N 342.443 3.650 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254128121 HHUZGDMRRLQZIQ-QHOXJNEGSA-N 334.500 3.566 0 50 EHAA C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 257357476 OFWWSHNAQHDEIN-YDYCJUJBSA-N 334.500 3.566 0 50 EHAA O=C(O)C1CCC(Nc2ccc(C(=O)N3CCCCCC3)cc2)CC1 263439705 VYEBDJBIBQNQQC-UHFFFAOYSA-N 344.455 3.758 0 50 EHAA O=C(NCc1cccc(CN2CCCC2)c1)[C@@H]1CCCC(F)(F)C1 282779106 VMSYRVRFYAUACL-QGZVFWFLSA-N 336.426 3.724 0 50 EHAA CCc1nc(NCc2ncc(C(F)(F)F)cn2)c2ccsc2n1 295082933 YAUCPNRDJXRVDM-UHFFFAOYSA-N 339.346 3.675 0 50 EHAA c1ccc(-c2cnc(N[C@H]3CCO[C@@H](c4cccnc4)C3)cn2)cc1 295866744 YQXKNDRCEFUVHI-PKOBYXMFSA-N 332.407 3.871 0 50 EHAA C[C@@H]1CCc2sc(C(=O)N3CCC(c4ccncn4)CC3)cc2C1 298447001 SFBLDAUOQNHRNH-CYBMUJFWSA-N 341.480 3.683 0 50 EHAA CSc1cccc(NC(=O)N2CCN(C)[C@@H](c3ccccc3)C2)c1 299768663 YPHWRTAEAMKXNW-GOSISDBHSA-N 341.480 3.929 0 50 EHAA CN(CCc1cccc2ccccc12)S(=O)(=O)c1ccc(F)cc1 303110104 KDKDIYSGMOOURT-UHFFFAOYSA-N 343.423 3.842 0 50 EHAA COC[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2C(C)=O)cc1 426479031 SLUWVCWNNHKTOF-SFHVURJKSA-N 337.419 3.807 0 50 EHAA Cc1cc(C)c(NC(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)c(C)n1 455543129 ZZWHGKQSSLUHTN-LBPRGKRZSA-N 345.365 3.580 0 50 EHAA CC1(C)CCN(C(=O)NCC2(CF)CCOCC2)CC(C)(C)C1 665026060 GWXJBKNLDLCHFL-UHFFFAOYSA-N 328.472 3.611 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)cc(O)n1 679091950 NRDZFODYLULPGN-ZDUSSCGKSA-N 348.805 3.735 0 50 EHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N[C@H](C)c1ccc(C)nc1 822535018 QLTDEEAGZKWEAL-GFCCVEGCSA-N 345.830 3.883 0 50 EHAA COc1cc(NC(=O)c2ccsc2)ccc1NC(=O)CC(C)C 824596634 BDJJQJRGSHYRDH-UHFFFAOYSA-N 332.425 3.994 0 50 EHAA CO[C@H]1C[C@H](NC(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)C1 888100241 USVKWVWKYIWHMO-UMSPYCQHSA-N 346.349 3.792 0 50 EHAA Cc1cccnc1[C@H](NC(=O)c1csc2cncn12)C(C)(C)C 889890088 FAADDWZKJJDRAC-HNNXBMFYSA-N 328.441 3.616 0 50 EHAA COc1ccc2[nH]cc(C3CCN(c4nccn5ccnc45)CC3)c2c1 891976251 MJIPZSRITCZJEC-UHFFFAOYSA-N 347.422 3.603 0 50 EHAA CP(C)(=O)c1ccc(-c2nc([C@@H]3CC3(Cl)Cl)no2)cc1 904105298 KVJZUKYCGYUGCH-JTQLQIEISA-N 331.139 3.646 0 50 EHAA Cc1cnc2c(cnn2CC(=O)N(C(C)C)[C@H](C)c2ccsc2)c1 905968468 QAAGDSHYMLVCCV-CQSZACIVSA-N 342.468 3.799 0 50 EHAA CC(C)Oc1cccc(C(=O)NCc2cc(C3CC3)n(C)n2)c1Cl 952876769 WHTRVJOPCFOOLP-UHFFFAOYSA-N 347.846 3.668 0 50 EHAA CCNC(=O)c1cc(NC(=O)c2cccc(C)c2F)ccc1Cl 952988053 AGOIEGZZNAMTHU-UHFFFAOYSA-N 334.778 3.790 0 50 EHAA C[C@H](c1ccccc1)n1nccc1NC(=O)c1cccc(CN(C)C)c1 1529091977 TVNNKYAJFJLSEQ-MRXNPFEDSA-N 348.450 3.806 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2c(O)nc(C)c(C)c2C)C[C@H](C(C)C)O1 1529192016 NJUMVBWIQAAOBL-IAGOWNOFSA-N 348.487 3.768 0 50 EHAA CC(C)[C@H]1CN(Cc2nc3ncccc3o2)C[C@@H](c2ccccc2)O1 1875241916 XYXVNHOVMGDKGR-MSOLQXFVSA-N 337.423 3.821 0 50 EHAA CCCC[C@@H]1CN(Cc2ccc(OCC)c(CO)c2)C[C@H](C(C)C)O1 1875251499 PBXYIXNHDVGELH-TZIWHRDSSA-N 349.515 3.993 0 50 EHAA C[C@@H](NC(=O)N1CCCCC[C@H]1Cc1cccs1)c1nccn1C 1875267626 AHGMIPUPHCUOPU-CABCVRRESA-N 346.500 3.740 0 50 EHAA Brc1ccsc1-c1ccnc(NCc2ccncc2)n1 2325739030 XZEQFEZMKOONSE-UHFFFAOYSA-N 347.241 3.975 0 50 EHAA COc1cccc2c(CCN[C@H]3CCCc4scnc43)c[nH]c12 2325777767 BYRSQCJAHKPADA-AWEZNQCLSA-N 327.453 3.843 0 50 EHAA CC[C@@H](NC[C@H]1CCC(F)(F)CO1)c1cc(OC)cc(OC)c1 2325793733 GCCMMUKZGUFUQZ-CZUORRHYSA-N 329.387 3.559 0 50 EHAA Nc1cncc(NC(=O)[C@H]2CCOc3ccc(Cl)cc32)c1C1CC1 2325821258 ZCLSQNWMJQLIFL-LBPRGKRZSA-N 343.814 3.699 0 50 EHAA Fc1cc(-c2cn(CC3=NO[C@H]4CCCC[C@H]34)nn2)ccc1Cl 2325853344 MFLFZRXNBRDOST-BZNIZROVSA-N 334.782 3.683 0 50 EHAA N[C@H]1CN(Cc2nc3cc(Cl)ccc3s2)Cc2ccccc21 2325857074 ODXGMZOYXJHLPS-AWEZNQCLSA-N 329.856 3.965 0 50 EHAA O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccccc1 146919 MIFSXDQMULWORC-UHFFFAOYSA-N 339.464 3.804 0 50 EHAA Cc1cc(Br)ccc1OCC(=O)N1CCCCCC1 310998 KEJQEZJGQURNPW-UHFFFAOYSA-N 326.234 3.539 0 50 EHAA Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1Cl 613983 LMUIQYUZWWIUDD-UHFFFAOYSA-N 332.806 3.750 0 50 EHAA O=S(=O)(Oc1ccccc1Cl)c1ccc(Br)cc1 1597188 DTYPPUSLCMZNDN-UHFFFAOYSA-N 347.617 3.870 0 50 EHAA COc1ccc(CCC(=O)Nc2ccc(Cn3ccnc3)cc2)cc1 4625779 BKLUDYYUEFQGJM-UHFFFAOYSA-N 335.407 3.511 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)N1CCc2ccccc21 6571416 ZJZNSJXIBNYWJF-UHFFFAOYSA-N 332.450 3.603 0 50 EHAA O=C(Nc1ccccc1Cl)Nc1c(O)c2ccccc2oc1=O 6746438 JHUZLXNGLGRKLB-UHFFFAOYSA-N 330.727 3.796 0 50 EHAA O=C(O)c1cnn2c(C(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc12 6828542 ZNJQKFCTVJNUBL-UHFFFAOYSA-N 347.365 3.833 0 50 EHAA O=S(=O)(Nc1ccccc1F)c1ccc(OC(F)(F)F)cc1 7402789 LYHCZAVNCLBPHF-UHFFFAOYSA-N 335.278 3.525 0 50 EHAA CCSc1nc(O)c(C(c2ccccc2)c2ccccc2)c(=O)[nH]1 9339766 MHIGJEVWUODWMY-UHFFFAOYSA-N 338.432 3.768 0 50 EHAA CCn1nc(C)c(CNCc2c[nH]nc2-c2cc3ccccc3o2)c1C 12431962 XIHCVFXMPGEIIY-UHFFFAOYSA-N 349.438 3.946 0 50 EHAA C[C@H]1CN(C(=O)C(C)(C)Oc2cc(Cl)ccc2Cl)C[C@H](C)O1 13744772 VRCWNDDFQAOCRU-QWRGUYRKSA-N 346.254 3.787 0 50 EHAA COc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)cc1 20615436 DJXJFUGDOOZYLL-UHFFFAOYSA-N 349.362 3.604 0 50 EHAA C[C@H]1Cc2cccc3c(=O)c(C(=O)N[C@H](C)c4ccccc4)cn1c23 33088809 GJHDMLFTJTXVIE-UONOGXRCSA-N 332.403 3.610 0 50 EHAA Cc1cccc([C@H]2CCCN2S(=O)(=O)c2cc(F)ccc2F)c1 36620319 WWBGETKPJXJSNS-MRXNPFEDSA-N 337.391 3.799 0 50 EHAA CCc1ccc(OCCN(C)C(=O)c2cc(CC(C)C)no2)cc1 63884826 BVAHWKZAXUNXEW-UHFFFAOYSA-N 330.428 3.587 0 50 EHAA Cn1nc(-c2ccccc2)c2c1NC(=O)C[C@H]2COCc1ccccc1 65459442 SVVNBMYWHMJSNW-KRWDZBQOSA-N 347.418 3.730 0 50 EHAA Cc1cccc2[nH]c([C@H]3CCCN(Cc4cccc(CCN)c4)C3)nc12 72158195 HJTXRWGGEBCJQE-IBGZPJMESA-N 348.494 3.752 0 50 EHAA CN(Cc1csc(-c2cccs2)n1)C(=O)c1cc(C2CC2)n[nH]1 72478863 WWHHJZQCQGDWDR-UHFFFAOYSA-N 344.465 3.744 0 50 EHAA COc1ccccc1OC1CN(c2cc(C)c3ccc(F)cc3n2)C1 77323567 LGYFVYCMRCALCY-UHFFFAOYSA-N 338.382 3.959 0 50 EHAA CCc1ccccc1CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 91493735 YPHUZYZPSLCZMP-XMSQKQJNSA-N 348.490 3.986 0 50 EHAA O=C(c1ccccc1-n1cncn1)N1CCCCC[C@@H]1c1ccco1 91594877 UDJOSIQFCJIJGS-QGZVFWFLSA-N 336.395 3.618 0 50 EHAA CC[C@H](c1nc(-c2cccnn2)no1)n1cc(C(C)=O)c2ccccc21 95497338 KOZJCHAJBYEDKS-MRXNPFEDSA-N 347.378 3.683 0 50 EHAA Cc1ccccc1N1CCCN(C(=O)Nc2cccc3[nH]ncc23)CC1 96151385 MSMCAVNFYJLXMG-UHFFFAOYSA-N 349.438 3.616 0 50 EHAA Cn1cc([C@H]2CCN(Cc3ccc(Cl)c4cccnc34)C2)cn1 116313894 XFIKYIFBUVLQCP-ZDUSSCGKSA-N 326.831 3.611 0 50 EHAA COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc3cn[nH]c3c2)c1 120622310 DNFRJECCKCROGG-IBGZPJMESA-N 337.423 3.917 0 50 EHAA Cc1ccccc1-c1nnc(CN2CCO[C@@](C)(c3ccccc3)C2)o1 121681027 OZGDNJCNLZLCPO-OAQYLSRUSA-N 349.434 3.793 0 50 EHAA CCO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2ccccc2)C12CCCCC2 170591960 JGAJRZVBPQLPCG-RYQLBKOJSA-N 330.472 3.731 0 50 EHAA Cc1cc2oc(=O)cc(CN(C3CCCC3)[C@@H](C)CO)c2cc1C 170607230 DKGGRELFCFLCJZ-HNNXBMFYSA-N 329.440 3.535 0 50 EHAA COc1ccc2nc(CN[C@@H](C)c3ccc4c(c3)OCO4)sc2c1 187410131 XNYLGTYDSGEPSZ-NSHDSACASA-N 342.420 3.884 0 50 EHAA CCC(CC)c1nnc(NC(=O)Nc2cc([C@@H]3C[C@H]3C)n[nH]2)s1 192206405 PDDSYEMAZOLDCH-PSASIEDQSA-N 334.449 3.932 0 50 EHAA CC(=O)c1cc(CN2CCC(c3nc(C(C)C)no3)CC2)cs1 216390691 SJPYFVXGTFSURQ-UHFFFAOYSA-N 333.457 3.837 0 50 EHAA O=C(O)CC1(NC(=O)c2cccc(-c3ccco3)c2)CCCCC1 219816445 QTEBZXPRDDEABD-UHFFFAOYSA-N 327.380 3.854 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)O[C@H]1CC(C)(C)Oc2ccccc21 225658798 ISEWRLIJVFBHIR-SFHVURJKSA-N 342.439 3.815 0 50 EHAA CCOC(=O)c1c(C(F)(F)F)[nH]c2ncc(Br)cc12 230535444 GDESCOBIEQKLCR-UHFFFAOYSA-N 337.095 3.521 0 50 EHAA CNC[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)C1 237067882 LRRSQJOMDPRLNG-CQSZACIVSA-N 346.471 3.934 0 50 EHAA COc1ccc(C2(NCCSC(C)C)CCOCC2)cc1F 252509241 YHSOJGVKFAWONF-UHFFFAOYSA-N 327.465 3.571 0 50 EHAA CCN1CC[C@@H](N(C)C(=O)Nc2cccc3cccnc23)C[C@H]1C 252676105 VZOPXZFACAUSQX-GDBMZVCRSA-N 326.444 3.571 0 50 EHAA CN(CCN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253531174 NDAWUPLIPPNPGL-OLJMEDMQSA-N 348.575 3.649 0 50 EHAA biogenic O=C(O)c1cccc(N[C@H]2CCCc3cn(C4CCCC4)nc32)n1 263388924 FQEHSUUGXSAJJB-AWEZNQCLSA-N 326.400 3.581 0 50 EHAA CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC([C@@H]2CCNC2)CC1 290252406 WOTHOVBNSBNLQE-QGZVFWFLSA-N 348.918 3.757 0 50 EHAA O=C(NC[C@@H]1CCCOC1)Nc1cccc(SC(F)(F)F)c1 299778261 PNIXJANHXLKAPZ-JTQLQIEISA-N 334.363 3.847 0 50 EHAA CC(C)(C)C[C@@H](NC(=O)Nc1ccc2[nH]nnc2c1)c1cccnc1 299801897 YJBAVHXLTSLHML-MRXNPFEDSA-N 338.415 3.652 0 50 EHAA C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cnc(C(F)(F)F)nc1 328587724 GEPMGZOCFXQNIM-OCCSQVGLSA-N 349.356 3.589 0 50 EHAA O=C1CCCc2nc(NC(=O)C3(C(F)(F)F)CCCC3)sc21 331741221 ASMPVJLJHLEGNN-UHFFFAOYSA-N 332.347 3.723 0 50 EHAA C[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCCNC1)c1cccc2ccccc12 422934112 FIQUKRJGGVUXEV-GOEBONIOSA-N 348.450 3.521 0 50 EHAA CCCCN(Cc1cccnc1)C(=O)N[C@H](C)c1ccc(O)c(F)c1 584891979 RPECOMQBLJMKSP-CQSZACIVSA-N 345.418 3.999 0 50 EHAA Clc1cncc(Cl)c1CN1CCC(Oc2ccncc2)CC1 584901965 SRMGOTHXFHOKBX-UHFFFAOYSA-N 338.238 3.827 0 50 EHAA CCn1nccc1[C@@H]1OCCC[C@H]1CNc1ccc2nc(C)oc2c1 657403763 GTOMTZOCLLXWON-IFXJQAMLSA-N 340.427 3.932 0 50 EHAA CN(CC1CC1)C(=O)Nc1ncc(Cc2c(F)cccc2F)s1 667836410 QEKMFKUNTOFQIB-UHFFFAOYSA-N 337.395 3.886 0 50 EHAA CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2cc(O)cc(O)c2)cc1 768616773 YBUUXNOYJJSGIR-GFCCVEGCSA-N 328.364 3.649 0 50 EHAA O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1ccc(C(F)F)c(F)c1 824456075 IWDAKVLUCKLOFU-LBPRGKRZSA-N 325.290 3.590 0 50 EHAA Cc1ccc(-c2ccc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc2)o1 952971522 ORDLYKAXJIIUNP-KRWDZBQOSA-N 338.407 3.881 0 50 EHAA O=C(N[C@@H](C(=O)O)C(C1CCC1)C1CCC1)OCc1ccccc1 1776004184 MCSPSZJWQZLSRJ-QGZVFWFLSA-N 331.412 3.582 0 50 EHAA Cc1ccc2ncccc2c1-c1nccn1[C@@H]1CC(=O)N(C(C)C)C1 1857684290 HLOQOBSBVGPERM-OAHLLOKOSA-N 334.423 3.589 0 50 EHAA CCN(CC(=O)Nc1c(C)cccc1C)C[C@]12C[C@H]1COC21CCC1 1875275116 ZTCNTYGNZFJAAR-FXAWDEMLSA-N 342.483 3.523 0 50 EHAA C[C@H](O)c1cccc(-c2noc(-c3noc4c3CCCCC4)n2)c1 1875298925 SEVNPCWTEBBVSZ-NSHDSACASA-N 325.368 3.714 0 50 EHAA O=C(C[C@H](Cc1ccccc1)C(=O)O)Nc1ccc2ncccc2c1 1875360801 JKFPRPPJUXWKQR-INIZCTEOSA-N 334.375 3.507 0 50 EHAA CC(C)(C)c1ccc(OC[C@@H]2C[N@@]2CC2CC2)c(-n2cccn2)c1 1875384051 CBLGUVMUJPEJTL-HTAPYJJXSA-N 325.456 3.643 0 50 EHAA CN(Cc1ccc(Br)cc1)C1=NC[C@@H](c2ccccc2)N1 2325864415 NTUJJRANUBLTJU-INIZCTEOSA-N 344.256 3.581 0 50 EHAA CCCCc1nc(CN2CCC[C@]3(CCc4c[nH]nc43)C2)c(Cl)[nH]1 2356141450 BCCTVNOPJSMGLW-SFHVURJKSA-N 347.894 3.609 0 50 EHAA CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCC2 94939 ZBXYRTPFEXLFNO-UHFFFAOYSA-N 329.421 3.595 0 50 EHAA COC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 143392 OSZFPSKWWZZSHP-UHFFFAOYSA-N 335.359 3.644 0 50 EHAA Cc1cc(Br)ccc1OCC(=O)N(C(C)C)C(C)C 311687 GHTRAFSTVPEVRL-UHFFFAOYSA-N 328.250 3.782 0 50 EHAA O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccs1 463375 RKDAYZRHMTYAOC-UHFFFAOYSA-N 349.367 3.768 0 50 EHAA COC(=O)[C@@H](CC(C)C)NC(=O)c1sc2ccccc2c1Cl 465457 FWQQRQCYPMLWHA-LLVKDONJSA-N 339.844 3.872 0 50 EHAA COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 474139 UHBMNHASIOWDBG-LLVKDONJSA-N 333.771 3.533 0 50 EHAA COc1cc(NC(=O)C(Cl)(Cl)Cl)c(OC)cc1Cl 2172442 FZEZZFSZWMKPLE-UHFFFAOYSA-N 332.998 3.666 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccccc1C(F)(F)F 2585829 DYZRXQICSTZZKP-NSHDSACASA-N 333.306 3.746 0 50 EHAA Cc1cc(C(=O)N[C@H]2CC[C@H](C(=O)O)CC2)c2cc(Cl)ccc2n1 2356163516 HDMKUZSSRYCNQA-AULYBMBSSA-N 346.814 3.570 0 50 EHAA Cn1c(/C=C/c2ccc(Br)cc2)nc2ccccc2c1=O 3902269 LVWQAOMRLVAIJU-DHZHZOJOSA-N 341.208 3.866 0 50 EHAA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc(Cl)c1 4128647 WOZXXHLZWJDNPP-AWEZNQCLSA-N 332.812 3.782 0 50 EHAA COc1ccc(OC)c2c1nc1n2[C@@H](O)C=C(c2ccccc2)S1 4488461 RTTVJBCNJUXRJZ-HNNXBMFYSA-N 340.404 3.691 0 50 EHAA O=C(NC1CCCCC1)c1nc(-c2cccc(C(F)(F)F)c2)no1 6742742 GQUQXACRRGFPLI-UHFFFAOYSA-N 339.317 3.818 0 50 EHAA O=C1[C@@H]2CS[C@@H](c3cccs3)N2C(=S)N1C1CCCCC1 1428617 FECLDQJPGTUCRJ-FZMZJTMJSA-N 338.523 3.624 0 50 EHAA Cc1cc(C)n([C@H](C)CN2CCC(Oc3ccccc3F)CC2)n1 20537758 KQTUOOTYJYGNSY-MRXNPFEDSA-N 331.435 3.743 0 50 EHAA COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(F)cc32)cc1OC 26665973 KFRJZVISBHFGQE-QGZVFWFLSA-N 340.398 3.754 0 50 EHAA CC1(C)CC2(CC(C)(C)c3cc(N)c(O)cc32)c2cc(O)c(N)cc21 5835808 PUCKXGIYMMARMQ-UHFFFAOYSA-N 338.451 3.911 0 50 EHAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)Cc2cccs2)C1 77354620 FYXHVVLZLLSRBV-QGZVFWFLSA-N 341.476 3.731 0 50 EHAA Cc1n[nH]c(C)c1CCC(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 118378044 YKVROQNFFPPFOV-DNVCBOLYSA-N 343.496 3.664 0 50 EHAA O=S(=O)(c1cccs1)N1CCc2cc(-c3ccccc3)oc2C1 474189398 MHJLGJADNRLDKN-UHFFFAOYSA-N 345.445 3.755 0 50 EHAA O=c1c2ccc(F)cc2ncn1CC[C@@H]1CCCCN1C1CCCC1 32541117 VKWWACLTUCFTOV-KRWDZBQOSA-N 343.446 3.723 0 50 EHAA Fc1cc(F)c(F)c(OCc2nc(-c3cccs3)no2)c1F 118364 GQGZKSCWZXRNJS-UHFFFAOYSA-N 330.262 3.934 0 50 EHAA CC(=O)N1CCC[C@@]2(CCN(Cc3c(F)ccc(C)c3Cl)C2)C1 67947970 MFJYQOQWAJBBKZ-SFHVURJKSA-N 338.854 3.622 0 50 EHAA Cc1cc(C)n(-c2cccc(NC(=O)c3ccc4c(c3)CCO4)c2)n1 121373198 VBAVDVXMXSGYGN-UHFFFAOYSA-N 333.391 3.676 0 50 EHAA C[C@H](Cc1cccc(O)c1)NC(=O)[C@@H]1CCSc2ccccc21 427648531 QBUUUTBIWABIPT-CXAGYDPISA-N 327.449 3.719 0 50 EHAA O=C(N[C@@H]1CCCCC12CCCC2)c1cc(-c2ccccn2)no1 361197781 APADTTOQFMGBPU-QGZVFWFLSA-N 325.412 3.969 0 50 EHAA CCO[C@@H](C)c1nccn1Cc1nc2cc(Br)ccc2[nH]1 155459714 CWYICDHIHCVYET-JTQLQIEISA-N 349.232 3.668 0 50 EHAA Cc1ccc(-c2ccnc(NCC(=O)Nc3ccccc3C)n2)c(C)n1 71721699 GFYUGPBQBVNWOP-UHFFFAOYSA-N 347.422 3.514 0 50 EHAA O=C(Nc1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccn2)no1 77505301 VYBLUOKTHXGLGA-OAHLLOKOSA-N 335.367 3.501 0 50 EHAA C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)CCOCc1ccccc1 285549038 OPYLMBNIMTYDRX-ZJOUEHCJSA-N 345.483 3.526 0 50 EHAA Cc1cccc(C[C@@H](C)NC(=O)C2(N3CCCCC3)CCCCC2)n1 221278242 XQLKVRAKJMCRMQ-GOSISDBHSA-N 343.515 3.626 0 50 EHAA CC[C@H](O)c1ccc(-c2cccc(C(=O)N(CC)CCOC)c2)cc1 426685277 JNYFHLOPAPKMAK-FQEVSTJZSA-N 341.451 3.906 0 50 EHAA COc1ccccc1CCNC(=O)Nc1c(C)cnn1[C@H](C)C1CC1 96153586 FLIAZMYTOHKDIN-CQSZACIVSA-N 342.443 3.535 0 50 EHAA COc1ccc(CN2CCC3(CC2)CNc2ccccc23)c(F)c1 97785088 LKEYYXMXLDTRIT-UHFFFAOYSA-N 326.415 3.794 0 50 EHAA COc1cccc([C@H]2CCCCN2CCC(=O)Nc2cccnc2)c1 244673706 HUFXXYVZBDVDGQ-LJQANCHMSA-N 339.439 3.646 0 50 EHAA Cc1cc2c(cc1C)[C@H](C(=O)Nc1nc(-c3ccc[nH]3)cs1)CO2 184870538 SVHRCTYXQYUSLN-CYBMUJFWSA-N 339.420 3.870 0 50 EHAA Cc1cc(N2CCCN(C(=O)N[C@@H](C)C3CCCCC3)CC2)ccn1 534648170 BGRLBFSLYMDGBH-KRWDZBQOSA-N 344.503 3.581 0 50 EHAA Cc1cc(S(=O)(=O)N[C@@H](C)C2=CCCCC2)c2ncccc2c1 670444719 JTHJWNKJYNXZLF-AWEZNQCLSA-N 330.453 3.710 0 50 EHAA CCCc1nc(C)c(CNC(=O)c2c[nH]nc2-c2ccccc2)s1 670455098 KIKXJUOVGUTIGB-UHFFFAOYSA-N 340.452 3.724 0 50 EHAA O=C(c1ccccc1F)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 278353189 GQLGLKVTJCVPSJ-JTQLQIEISA-N 341.308 3.587 0 50 EHAA CC(C)(C)c1ncsc1C(=O)NCc1nc(-c2cccs2)c[nH]1 170597714 SPFFYWXXQMNIMX-UHFFFAOYSA-N 346.481 3.822 0 50 EHAA CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cnn3ccccc13)CCC2 408513171 ITACHDRNNXNWIZ-HNNXBMFYSA-N 340.452 3.503 0 50 EHAA CCn1ccnc1[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 280755400 AKBWMXRWSWROFS-KSZLIROESA-N 341.430 3.899 0 50 EHAA CCCOc1ccccc1NC(=O)N1CCO[C@@H](c2nccs2)C1 171886932 RDYWXWPNDWVKBS-OAHLLOKOSA-N 347.440 3.537 0 50 EHAA Cc1ncccc1C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C 187685425 LODJEGUEMFAGJQ-SJKOYZFVSA-N 330.815 3.646 0 50 EHAA O=C(Nc1nc2c(s1)CCCC2)c1cccn1Cc1ccncc1 725880458 HKRBKTZBCSRISY-UHFFFAOYSA-N 338.436 3.519 0 50 EHAA COC(=O)Nc1ccc(CCNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 737594093 FRLVCVKMMDRRMR-IRXDYDNUSA-N 344.455 3.762 0 50 EHAA CC[C@@H]1C(=O)C[C@@H](c2ccccc2)S(=O)(=O)[C@@H]1c1ccccc1 5337547 SKMRUNSHSVHIDZ-NZSAHSFTSA-N 328.433 3.883 0 50 EHAA CCCCc1nc2cc(C(=O)N(CC)C[C@H]3CCCO3)ccc2o1 12593447 DHXZYMXJKUNVPH-OAHLLOKOSA-N 330.428 3.812 0 50 EHAA CCOC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cn2)cc1 13497555 YBYLGTYUIGNZLK-UHFFFAOYSA-N 335.816 3.721 0 50 EHAA N[C@@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1ccc(F)cc1F 1857532446 NYBKGEMIYQNEAF-LSDHHAIUSA-N 336.407 3.780 0 50 EHAA C[C@H](CNC(=O)N[C@H]1CC[C@H](O)CC1)c1c(Cl)cccc1Cl 245527597 FVGWWVIWZACNKB-IJLUTSLNSA-N 345.270 3.700 0 50 EHAA CN(Cc1ccccc1NC(=O)[C@@H]1CC[C@@H]1C(=O)O)C1CCCCC1 911094265 NLZYUUOAWKTRBD-SJORKVTESA-N 344.455 3.500 0 50 EHAA O[C@H](CNCCc1cccc(Cl)c1)COc1ccc(Cl)cc1 1250683163 XNFREFBJTOBDCB-MRXNPFEDSA-N 340.250 3.565 0 50 EHAA C[C@H](C1CC1)n1cc(NC(=O)Nc2cnn(C3CCCC3)c2)cn1 930976914 WOLABSYOLIARFT-GFCCVEGCSA-N 328.420 3.810 0 50 EHAA CC(=O)Nc1ccc(C(=O)Nc2ccccc2Br)cc1 208500 OOHJDVRWHGKBNG-UHFFFAOYSA-N 333.185 3.660 0 50 EHAA COc1ccc(CN(C)C(=O)c2ccc3ccccn23)c2cccnc12 2100483280 IVPAZYSDHSVVCD-UHFFFAOYSA-N 345.402 3.768 0 50 EHAA Fc1ccc([C@@H]2CC[C@H](n3cc(C4CCNCC4)nn3)C2)cc1F 2325788229 UPZNYFFTMCJQOO-HIFRSBDPSA-N 332.398 3.532 0 50 EHAA CCn1ncc2c1CC[C@@H](NCc1cc(Cl)cc3cccnc13)C2 2325788475 ISYQGAGPFZTIAW-QGZVFWFLSA-N 340.858 3.752 0 50 EHAA CCC1=NO[C@H](CC(=O)N2C[C@@H](C)C[C@H]2c2ccc(OC)cc2)C1 2325807861 YTLPZVOYQABVGI-KKXDTOCCSA-N 330.428 3.550 0 50 EHAA CC(C)C1CCC([C@](C)(O)CNCc2n[nH]c3ccccc23)CC1 2325842446 YXRKCJYWOUGFTF-ALLBUHFWSA-N 329.488 3.866 0 50 EHAA Cn1nc(Br)cc1-c1cnc(Nc2cccc(F)c2)nc1 2325863074 UMCKPFSWKMKGND-UHFFFAOYSA-N 348.179 3.522 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 245907654 VBPUVGYYWFOSFR-YXKFXFPPSA-N 341.455 3.557 0 50 EHAA COC(=O)[C@H](C)Oc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 44943 LBFQXDNMLMJPLV-ZDUSSCGKSA-N 338.359 3.709 0 50 EHAA biogenic CC(C)c1nnc(NC(=O)c2cccc(Br)c2)s1 141989 FKALCJXHNDEILE-UHFFFAOYSA-N 326.219 3.676 0 50 EHAA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(F)cc2)NC(=O)N1 178865 YFZGOQANDDAQAM-KRWDZBQOSA-N 346.402 3.577 0 50 EHAA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(C)cc2)NC(=O)N1 195079 BTSWJJIRBYNHRW-SFHVURJKSA-N 342.439 3.889 0 50 EHAA COc1ccc(Cl)cc1C(=O)Oc1cc(=O)oc2ccccc12 464786 ZTZSYWMZAIIGML-UHFFFAOYSA-N 330.723 3.674 0 50 EHAA Nc1c(C(=O)NC2CCCC2)sc2nc(-c3ccncc3)ccc12 803917 KTHKFDFAZFGJAH-UHFFFAOYSA-N 338.436 3.613 0 50 EHAA COc1cc2c3c(c1)-c1c(ssc1=S)C(C)(C)N3C(=O)C2=O 1788585 MQPQQCFOEPRGTC-UHFFFAOYSA-N 349.458 3.993 0 50 EHAA CCCNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2306391 BVMUQMKWQNCZTO-UHFFFAOYSA-N 348.328 3.555 0 50 EHAA C[C@@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 2497323 BRRDFPREMKZJDA-LLVKDONJSA-N 336.313 3.521 0 50 EHAA COc1cc(CNCCc2c[nH]c3ccccc23)cc(OC)c1OC 2573300 RNFBXOBIDNOBJJ-UHFFFAOYSA-N 340.423 3.526 0 50 EHAA CCOc1ccc(NC(=S)NCCc2ccc(OC)cc2)cc1 2941516 LMKDHRKWMNEBDJ-UHFFFAOYSA-N 330.453 3.623 0 50 EHAA COc1ccc2oc(=O)c(C(=O)Oc3cccc4cccnc34)cc2c1 4248016 KYCXHZBZJQQQFT-UHFFFAOYSA-N 347.326 3.569 0 50 EHAA O=C(Nc1nc2c(Cl)cccc2s1)c1ccc2c(c1)OCCO2 4842603 LRJBRSZMDUUQJR-UHFFFAOYSA-N 346.795 3.973 0 50 EHAA O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1F 6697898 NNFYUAKWXJIRHV-UHFFFAOYSA-N 347.349 3.959 0 50 EHAA Cc1ccc2oc(C(=O)NCc3nc(C)c4c(n3)CCCC4)c(C)c2c1 11839140 FWTPTURFORCSTK-UHFFFAOYSA-N 349.434 3.957 0 50 EHAA CCCN1CCC(CC(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1 11934533 DPPUMZOMZBRZKH-FQEVSTJZSA-N 343.515 3.602 0 50 EHAA Fc1ccccc1[C@@H]1CCN(Cc2nc(-c3cccs3)no2)C1 20600348 NDYXSDPIKDEORE-GFCCVEGCSA-N 329.400 3.927 0 50 EHAA CC(C)=CC(=O)N1CCc2[nH]nc(CSc3ccccc3)c2C1 23505575 DVJRSMIIEBAVOO-UHFFFAOYSA-N 327.453 3.553 0 50 EHAA CCOC(=O)CNC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 35561716 IDURDYKPYMCVSG-HNNXBMFYSA-N 338.835 3.530 0 50 EHAA CNc1nc(C)c(C(=O)N(C)CCCOc2ccc(C)c(C)c2)s1 55036684 QJVWROXLZHQPCU-UHFFFAOYSA-N 347.484 3.651 0 50 EHAA CCOC(=O)c1n[nH]cc1CN(Cc1sccc1C)C1CCCC1 55090647 PQVGWFRCEIOYEB-UHFFFAOYSA-N 347.484 3.901 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 59740719 ILEDMIIWMFVHOD-ZDUSSCGKSA-N 336.863 3.872 0 50 EHAA O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H](c2ccn[nH]2)C1 60740464 PBSRUHPZGJNEDR-INIZCTEOSA-N 336.439 3.620 0 50 EHAA CCN(CC)Cc1nnc2sc(-c3ccc(C(C)(C)C)cc3)nn12 65362217 TWUXGRXAVNZABX-UHFFFAOYSA-N 343.500 3.992 0 50 EHAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccc(C(F)(F)F)cc1)C2 67789655 IDTQTXWQGQIEAV-UHFFFAOYSA-N 349.356 3.949 0 50 EHAA C[C@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(-n2cnnc2)cc1 67818353 XCKXWWQTSZFNOA-CQSZACIVSA-N 345.406 3.582 0 50 EHAA CC(=O)C1(c2ccccc2)CCN(Cc2ccc3c(c2)OCO3)CC1 72146808 ZRNYPUYMSSQXAL-UHFFFAOYSA-N 337.419 3.538 0 50 EHAA Cc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2ccccc2C(=O)O)C1 72150970 YSMCDUBCWZWXMN-CYBMUJFWSA-N 343.810 3.976 0 50 EHAA Cc1cc(NCCCc2nc3ccc(C)c(C)c3[nH]2)n2nc(C)cc2n1 72476674 LUJHHAHZIDEXPN-UHFFFAOYSA-N 348.454 3.884 0 50 EHAA CCCCNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 95495671 BUYCTERMDRTFAO-GOSISDBHSA-N 340.423 3.570 0 50 EHAA Cc1ccc([C@H](NC(=O)CCCc2cn[nH]c2)c2cccnc2)cc1C 97244092 DZNCLRRXLQSFBF-NRFANRHFSA-N 348.450 3.650 0 50 EHAA COC(=O)c1ccc(-c2noc([C@H]3C[C@H]3c3ccccc3F)n2)cc1 109618644 NNIOISSHHZZPHE-GJZGRUSLSA-N 338.338 3.933 0 50 EHAA COc1ccc(CC[S@@](=O)Cc2ncc(Cl)cc2Cl)cc1 170610934 GAOIEAMVCJGZNX-OAQYLSRUSA-N 344.263 3.888 0 50 EHAA Cc1nc2ccccc2n1CCC(=O)N1CCCC[C@@H]1c1ccccn1 216168307 QKJDHINQOGYPJZ-LJQANCHMSA-N 348.450 3.884 0 50 EHAA Cc1cc([C@H](C)NC(=O)N[C@H](C)C[C@@H](O)c2ccco2)c(C)s1 221870339 COUZVQIUMMAYFF-IFUGULHKSA-N 336.457 3.830 0 50 EHAA CCOc1cc(O)ccc1NC(=O)[C@](O)(CC)c1cccc(Cl)c1 242389570 ZYJVBJUYHLASIL-SFHVURJKSA-N 349.814 3.681 0 50 EHAA CN1CCC[C@H](CNC(=O)c2cc[nH]c2C2CC2)[C@H]1c1cccs1 252505094 VOHDCHOXDXSJAC-KDOFPFPSSA-N 343.496 3.767 0 50 EHAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 253614939 LKQDFQLSEHWIRK-SWSIEINOSA-N 334.500 3.710 0 50 EHAA FC(F)(F)c1cnc([C@@H]2CCCN(Cc3ccc4cn[nH]c4c3)C2)[nH]1 278712207 OSUQEXHDNOFSJR-CYBMUJFWSA-N 349.360 3.684 0 50 EHAA Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1csc2c1CCCC2 279306223 LZBLBVONTQOVHY-LBPRGKRZSA-N 345.468 3.507 0 50 EHAA CC(C)Oc1ccc([C@H](C)NCc2nnc3n2CCCC3)cc1Cl 284288305 KEWCABIYIPHUOQ-ZDUSSCGKSA-N 348.878 3.906 0 50 EHAA Cc1cc(C)nc(-c2cccc(C(=O)N3CCC(F)(F)CC3)c2)n1 299792836 GVIISDGHMYRRRA-UHFFFAOYSA-N 331.366 3.632 0 50 EHAA Cc1cc(O)nc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)cs2)c1 328590386 JWFFIPCNXHDQOC-LBPRGKRZSA-N 339.420 3.710 0 50 EHAA O=C(Nc1nc([C@H]2C[C@H]3CC[C@H]2C3)cs1)NC1CC(F)(F)C1 333106822 RENGGLMSKPPLQH-QXEWZRGKSA-N 327.400 3.966 0 50 EHAA Cc1[nH]nc2ncc(C(=O)N3CCC[C@H]3/C=C/c3ccccc3)cc12 377246585 VCDVBDBUXDVALG-FVNWOWOISA-N 332.407 3.584 0 50 EHAA CC[C@@H]1C=CCN1C(=O)Nc1ccc2c(c1)cc(C)n2CCOC 426632855 IRDQQMFQWSFLDV-QGZVFWFLSA-N 327.428 3.778 0 50 EHAA Cc1ccc(N2CCC(N3CCC[C@H](c4ccncn4)C3)CC2)cc1 670450083 SMVYXGIJLHWNFZ-SFHVURJKSA-N 336.483 3.633 0 50 EHAA CC(C)(C)C[C@@H](NC(=O)c1onc2c1CCCC2)c1cccnc1 670452053 ZNGPPXOLMJAQCZ-MRXNPFEDSA-N 327.428 3.856 0 50 EHAA CC(C)c1ccc(CC(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)cc1 1529194670 BNRIYQJKJQOOHP-FXELSEDVSA-N 342.527 3.930 0 50 EHAA CCn1cnc2c1CCN(Cc1cc(C)ccc1C)C21CCOCC1 1775962783 FTAPLLGXBROQMW-UHFFFAOYSA-N 339.483 3.584 0 50 EHAA Cc1cc(Cl)ccc1C=Cc1nc(C)c(CCC(=O)O)c(O)n1 1857531784 BFNMSGJEQISPLG-UHFFFAOYSA-N 332.787 3.640 0 50 EHAA CCCCOc1ccccc1C(=O)N1[C@H]2CC[C@@H]1[C@](CC)(CO)C2 1857680302 KDIGTCGDULPQIX-CVAIRZPRSA-N 331.456 3.631 0 50 EHAA COc1c(C(=O)O)cc(-c2ccc3[nH]ccc3c2)c(OC)c1OC 1875242998 KWNSTKUHERUEON-UHFFFAOYSA-N 327.336 3.559 0 50 EHAA CC[C@@H](NC(=O)c1nnc2c(F)cccc2c1O)C1CCCCC1 1875357273 ZDVVMPVKXKAHGF-CQSZACIVSA-N 331.391 3.563 0 50 EHAA CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@H](C)C[C@@H]2CCCO2)no1 2325757297 QXAIYUHBVQSDHM-PMPSAXMXSA-N 349.475 3.842 0 50 EHAA c1ccc(-c2ccccc2CN2CCOC[C@@H]2C[C@H]2CCOC2)cc1 2325875421 RCSYCDGAZANTTP-NQIIRXRSSA-N 337.463 3.981 0 50 EHAA Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2 84424 ACUXGZXYSJZXDT-MRXNPFEDSA-N 343.814 3.718 0 50 EHAA COc1cc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c(C)cc1C 87125 BLLVEDZRFIQLNI-UHFFFAOYSA-N 344.436 3.516 0 50 EHAA CC(=O)Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 96560 GMHZSJKERJATQD-UHFFFAOYSA-N 337.356 3.995 0 50 EHAA biogenic COC(=O)Nc1ncc(CN2CCC(c3ccccc3)CC2)s1 340359 XSSWBZATTHQFFN-UHFFFAOYSA-N 331.441 3.701 0 50 EHAA Cc1nnc(SCc2ccccc2F)n1NCc1ccccc1 386366 QKRHETOLTAPTMA-UHFFFAOYSA-N 328.416 3.762 0 50 EHAA O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCCCCC1 466525 VGEDNUGAKPLXBX-UHFFFAOYSA-N 341.782 3.924 0 50 EHAA COc1cccc(C(=O)COc2cc(C)cc3oc(=O)cc(C)c23)c1 489201 XBCVSSBTOPVFME-UHFFFAOYSA-N 338.359 3.680 0 50 EHAA biogenic COc1ccc(/C=C2/SC(=S)N=C2O)cc1Br 1040747 GHMFRMOSBCTITG-WEVVVXLNSA-N 330.228 3.787 0 50 EHAA Cc1nc(SCC(=O)N[C@@H](C)c2ccccc2)[nH]c1CC(C)C 4625896 FUTHUBSOPFTGSD-ZDUSSCGKSA-N 331.485 3.886 0 50 EHAA CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccnc1 4970391 UYYBNLSDRJMEAP-UHFFFAOYSA-N 334.441 3.579 0 50 EHAA O[C@@H](C1CCCCC1)[C@@H](Oc1ccccc1)n1nnc2ccccc21 5484942 MQGHNBOOPKLJSB-VQTJNVASSA-N 337.423 3.950 0 50 EHAA CCOC(=O)C[C@@H](NC(=O)C1CCCCC1)c1ccc(OCC)cc1 6351382 WIHXTFXZGJETCP-GOSISDBHSA-N 347.455 3.776 0 50 EHAA C[C@H]1CCc2onc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2C1 6525658 WFISPWURSUPICZ-PGBBXINNSA-N 328.456 3.746 0 50 EHAA O=C(c1cn(C2CCCCC2)nn1)N1CCC[C@H]1c1ccc(F)cc1 12054797 WUNGQAXNFLKSIJ-SFHVURJKSA-N 342.418 3.900 0 50 EHAA C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccc2c(c1)OCO2 12383736 GOFYPHGBPNXKRR-MRVPVSSYSA-N 339.725 3.838 0 50 EHAA CCc1ccc([C@H]2C[C@H](c3ccccc3C)n3nc(N)nc3N2)cc1 13131863 HCKGLSSUSCFFTE-QZTJIDSGSA-N 333.439 3.877 0 50 EHAA COc1ccccc1C(=O)Nc1ccc2c(c1)CN(CC(C)C)CC2 14952085 FCXSTKSVEKCVRO-UHFFFAOYSA-N 338.451 3.962 0 50 EHAA COc1ccc(CN2CCC[C@H](Nc3ccccc3)C2)cc1OC 15079071 SGPYRPULOCDYPM-SFHVURJKSA-N 326.440 3.780 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)cc1 20398436 FEOLYASYLDNZOQ-KRWDZBQOSA-N 342.826 3.892 0 50 EHAA COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccc(F)cc32)cc1OC 26665968 KFRJZVISBHFGQE-KRWDZBQOSA-N 340.398 3.754 0 50 EHAA CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1 27617652 JGPNMZWFVRQNGU-HUUCEWRRSA-N 329.271 3.938 0 50 EHAA in-vitro CCC(=O)c1ccc(OCC(=O)N(C)C/C=C/c2ccccc2)cc1 55211217 DBVRMHPBODUTSF-JXMROGBWSA-N 337.419 3.830 0 50 EHAA CCSc1nc(CC(=O)NCCc2c[nH]c3ccccc23)cs1 55270877 YXKZJXSODBHYSZ-UHFFFAOYSA-N 345.493 3.638 0 50 EHAA CCC(CC)n1ncc2c1NC(=O)C[C@@H]2c1cccc2nsnc12 65405284 FKXLFOHMDLZJHR-GFCCVEGCSA-N 341.440 3.723 0 50 EHAA O=C1N(CC2CC2)CCC[C@@]12CCN(Cc1ccc(Cl)s1)C2 92076997 BNKAFTCORKNLEI-KRWDZBQOSA-N 338.904 3.626 0 50 EHAA Cc1nc2ccc(C(=O)N[C@H](C)c3ccc(O)c(F)c3)cc2nc1C 95377808 XLYNIDGRNPCXGJ-GFCCVEGCSA-N 339.370 3.582 0 50 EHAA Cc1nc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)c2cccnc2n1 95381976 JUDDXOBOPKUXMA-MRXNPFEDSA-N 340.814 3.565 0 50 EHAA O=C(/C=C/c1ccccc1)N1CCC[C@H](c2nccn2CC2CC2)C1 95509844 FGLZRVLVERLSKA-VYENPZKTSA-N 335.451 3.713 0 50 EHAA COc1ccc(Cl)cc1NC(=O)N(C)CC[C@@H]1CCCCO1 96722979 WXZWECUYBDOYAF-ZDUSSCGKSA-N 326.824 3.772 0 50 EHAA O=C(Nc1ccc(O)c(C(F)(F)F)c1)c1ccn(-c2ccccc2)n1 125335338 RNCRPMKVEUOVDQ-UHFFFAOYSA-N 347.296 3.849 0 50 EHAA CCSc1cc(Cl)ccc1C(=O)NC[C@H](O)c1ccco1 127060246 XGEZZNSZJYZMBH-LBPRGKRZSA-N 325.817 3.508 0 50 EHAA Cc1nc2cc(NC3CCN(C(=O)OCC(C)C)CC3)ccc2n1C 151974707 XFOAMXXVUBBOKK-UHFFFAOYSA-N 344.459 3.551 0 50 EHAA Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1cnn(C(C)C)c1 162528583 RNIPZKFMROMHIJ-UHFFFAOYSA-N 343.818 3.864 0 50 EHAA O=C(N[C@@H](CO)Cc1ccccn1)N(c1ccccc1)c1ccccc1 170619779 BZCKRYHLKGDMGE-GOSISDBHSA-N 347.418 3.533 0 50 EHAA CC1CC(NC(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2C)C1 170650656 SAXMYAMDBOOZKK-GSQSYGFSSA-N 348.450 3.760 0 50 EHAA Cn1cc([C@@H]2CCCN2Cc2cccc(OCc3ccccn3)c2)cn1 179446166 LDQQGFVWBYZVET-NRFANRHFSA-N 348.450 3.731 0 50 EHAA CC(F)(F)c1cccc(NC(=O)N[C@H]2CCN(c3ccccn3)C2)c1 187031281 ZORJFOLPRAMHIB-HNNXBMFYSA-N 346.381 3.594 0 50 EHAA COc1cccc2c1CC[C@H](NCc1nc3cc(C)ccc3n1C)C2 190527931 PILOGJLHQUCVLE-INIZCTEOSA-N 335.451 3.537 0 50 EHAA C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(F)c(O)c(Cl)c2)C1 192481407 INYRTSFDJDOTSR-BMIGLBTASA-N 334.778 3.803 0 50 EHAA Cc1nnc(C[S@@](=O)c2ccc(Cl)c(Cl)c2)n1C1CC1 194575584 RQZWIEHCJHMOGG-HXUWFJFHSA-N 330.240 3.536 0 50 EHAA C[C@@H](NC(=O)[C@@H](CN)c1ccccc1)c1cccc(C(F)(F)F)c1 237655825 MNEZCMPWGAJJRK-WBMJQRKESA-N 336.357 3.625 0 50 EHAA CSc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c1C 241776858 RTEFOPISLSIBHI-GDBMZVCRSA-N 333.501 3.665 0 50 EHAA O=C(CCN1CC(Oc2ccc(F)cc2)C1)Nc1ccccc1Cl 244742072 OBJZWGZRFLIYJP-UHFFFAOYSA-N 348.805 3.571 0 50 EHAA O=C(O)C1CCC(NCCc2nc3cc(Cl)ccc3s2)CC1 263413519 MGNXMAWWQZZIAL-UHFFFAOYSA-N 338.860 3.725 0 50 EHAA Cn1c([C@H]2CCCN2Cc2ccc3cn[nH]c3c2)nc2c1CCCC2 275589274 PPLLNLHIKKINGO-LJQANCHMSA-N 335.455 3.512 0 50 EHAA CCc1onc(C)c1C(=O)N(C)C[C@H]1CCCc2sc(C)nc21 328623122 IWTNYWOJAZCVTI-GFCCVEGCSA-N 333.457 3.502 0 50 EHAA Cc1ncc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)s1 342892609 DIMXNAYPBHFTFJ-UHFFFAOYSA-N 336.829 3.876 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCc2c(F)cc(F)cc2[C@H]1C 345030236 JHEWMRXIOJKNHF-JOYOIKCWSA-N 333.382 3.554 0 50 EHAA C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)Cc1c[nH]c2ncccc12 374259543 SNYBIIASNISASW-DOTOQJQBSA-N 333.435 3.900 0 50 EHAA COc1ccc2c(c1)[C@@H](C)CN(C(=O)c1ccc(Cl)nc1)CC2 374440768 XWQWCEACRWCGPA-LBPRGKRZSA-N 330.815 3.546 0 50 EHAA COCCN(Cc1ccsc1)C(=O)N[C@H](C)Cc1ccsc1 426404399 VDFKZMLRGWIPJK-CYBMUJFWSA-N 338.498 3.599 0 50 EHAA CCN(Cc1cnn(CC)c1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 426430602 DGZOPGFUUAPWOW-ZDUSSCGKSA-N 334.851 3.849 0 50 EHAA Cc1nn(C)c(C(=O)NC2c3ccccc3-c3ccccc32)c1Cl 426518297 JIDFHISPGLEWQK-UHFFFAOYSA-N 337.810 3.882 0 50 EHAA CO[C@H](C)CCNC(=O)N1CCC(Sc2cccc(C)c2)CC1 584899807 VKUVQOGOLFTAAT-OAHLLOKOSA-N 336.501 3.686 0 50 EHAA Cc1ccc([C@@H](NC(=O)c2c(C3CC3)n[nH]c2C)c2ccncc2)cc1 825172678 FOVHADFQMMBCFH-LJQANCHMSA-N 346.434 3.818 0 50 EHAA COCC1(CNCc2cc3ccc(SC)cc3nc2O)CCC1 952991242 VKSFTIPJOGVXQX-UHFFFAOYSA-N 332.469 3.569 0 50 EHAA COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@@H]1CC=CCC1 1529144158 OVDGLYSJIWSCHL-CQSZACIVSA-N 325.412 3.699 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CCCc3cccs3)C[C@H]2C1 1529167053 DRVZXXTWXDZVIH-WNKDZCFJSA-N 334.529 3.648 0 50 EHAA Cc1cccn2cc(-c3ccc(N[C@H](C)c4cnn(C)n4)cc3)nc12 1875328681 GVMZUTNOHWKNEG-CQSZACIVSA-N 332.411 3.611 0 50 EHAA Cc1c(-c2nc(-c3ccc4ncccc4c3)no2)sc2cncn12 2325854638 NUQVFJRQBPDVCU-UHFFFAOYSA-N 333.376 3.969 0 50 EHAA C=CC(=O)N(C)c1ccc(C(=O)Nc2ccc3scnc3c2)cc1 2325889964 IQZJXFMNPGRARI-UHFFFAOYSA-N 337.404 3.697 0 50 EHAA O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(F)c(F)c1 139796 VYZQAFQFBHURGR-UHFFFAOYSA-N 338.313 3.717 0 50 EHAA CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2Cl)nc1C 310603 XXGSGHINXBSNPD-UHFFFAOYSA-N 338.816 3.842 0 50 EHAA CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc(C)c1C 350016 SDFVGYCCJMUIDZ-GFCCVEGCSA-N 347.436 3.948 0 50 EHAA COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccccc1F 359652 UBEJPWCELYLXAB-UHFFFAOYSA-N 338.791 3.615 0 50 EHAA CCOC(=O)[C@@H](CC)Oc1ccc2c(C)c(CC)c(=O)oc2c1C 449358 KHIGFRRVDZKIBB-OAHLLOKOSA-N 332.396 3.693 0 50 EHAA COc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 476118 VDWNCNSYBGNAGV-ZDUSSCGKSA-N 333.815 3.741 0 50 EHAA Cc1cc(NC[C@@H]2CCCO2)n2ncc(-c3ccc(Cl)cc3)c2n1 2353949 OTWBEJZSLGHWCR-HNNXBMFYSA-N 342.830 3.949 0 50 EHAA CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 2490187 GLSORQWZLDQFRW-UHFFFAOYSA-N 328.462 3.717 0 50 EHAA CCOC(=O)c1c(-c2cccc(Br)c2)csc1N 2576735 CLDNAOYGOUUWQC-UHFFFAOYSA-N 326.215 3.937 0 50 EHAA Cc1cnc(NC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)s1 2780683 GWUFOHGBCJUJQD-UHFFFAOYSA-N 349.366 3.562 0 50 EHAA CCOC(=O)C1=CN(C(=O)c2ccccc2)CC[C@@H]1Cc1ccccc1 3053592 KKIWIJVCGPEFJJ-LJQANCHMSA-N 349.430 3.838 0 50 EHAA c1ccc2c(c1)OC[C@@H](c1nn3c(C4CCCCC4)nnc3s1)O2 11279326 KQIXTSXIUFQYIE-AWEZNQCLSA-N 342.424 3.746 0 50 EHAA Cc1c(C(=O)NCCC(C)C)sc2ncnc(N3CCCCC3)c12 12328364 GTPALWHVDNRXJH-UHFFFAOYSA-N 346.500 3.766 0 50 EHAA COC(=O)c1sccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 12380973 WECGOIQZDFDOHU-SECBINFHSA-N 339.800 3.594 0 50 EHAA COc1c(C)cccc1C(=O)Nc1cc(-c2ccc(F)cc2)nn1C 12462954 PWHACUZMNYPQDX-UHFFFAOYSA-N 339.370 3.796 0 50 EHAA O=C(COc1ccc(F)cc1Cl)Nc1nc2c(s1)CCCC2 13331304 DXGONUBRIODJJS-UHFFFAOYSA-N 340.807 3.832 0 50 EHAA O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1c1ccccc1 13676254 LRUIAANSXIVKQN-UHFFFAOYSA-N 328.371 3.687 0 50 EHAA C[C@H]1CN(C(=O)c2sc3cc(F)ccc3c2Cl)C[C@@H](C)O1 16604387 QETMLZLKVCNSQX-DTORHVGOSA-N 327.808 3.943 0 50 EHAA Fc1ccc(N2CCN([C@H]3CCCN(C4CCCCC4)C3)CC2)cc1 22914572 BOFDCVVTLUVPAE-NRFANRHFSA-N 345.506 3.745 0 50 EHAA COc1ccccc1N1CCN([C@@H](C)CCc2ccc(O)cc2)CC1 23283315 VTDNKKOWQRDNNO-KRWDZBQOSA-N 340.467 3.544 0 50 EHAA Cc1c(C)n(C(=O)CN2CCN(c3ccccc3)CC2)c2ccccc12 35564946 BDBPAQPFHRABSZ-UHFFFAOYSA-N 347.462 3.721 0 50 EHAA CCCC[C@@H]1C[C@@H]1C(=O)N1CCC(n2cc(C3CCCC3)nn2)CC1 48155849 QEVDDCFVJUSYMJ-AEFFLSMTSA-N 344.503 3.926 0 50 EHAA Cc1nsc(NC(=O)NC(C)(C)C23CC4CC(CC(C4)C2)C3)n1 55036844 IRNYBUQNRVEKHZ-UHFFFAOYSA-N 334.489 3.963 0 50 EHAA CCCCOCC(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1 55271050 IHTHYZLYAMYLPT-UHFFFAOYSA-N 340.423 3.623 0 50 EHAA C[C@@]12CC3CC(C(=O)NCCCc4csc(N)n4)(C1)C[C@](C)(C3)C2 63846704 WMMWIHHSVXLLSN-DFDFAMMDSA-N 347.528 3.771 0 50 EHAA Cc1noc(C)c1CN(C)Cc1cccn1-c1ccc(Cl)cn1 65419947 ZBOMOIJKELUIMT-UHFFFAOYSA-N 330.819 3.763 0 50 EHAA CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)Nc1ccc(-c2ccccc2)cc1 67688890 WPZYZQVRMMQQOP-MOPGFXCFSA-N 349.434 3.581 0 50 EHAA Cc1ccn2cc(CN3CCC[C@@H](C(=O)Cc4ccccc4)C3)nc2c1 72168956 KXDKWPBKSLAGKE-LJQANCHMSA-N 347.462 3.667 0 50 EHAA Cc1ccc([C@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)nc1 72419071 AXQDXTPCTDNHGC-HNNXBMFYSA-N 326.440 3.585 0 50 EHAA CCc1nc(C)c(CNC(=O)c2cccc(CCC(C)(C)O)c2)s1 72436379 JJVUPARWXAWZSG-UHFFFAOYSA-N 346.496 3.647 0 50 EHAA Cc1csc([C@H](C)NC(=O)c2cccc(CCC(C)(C)O)c2)n1 72474269 UXUPPFWDYOYLJW-ZDUSSCGKSA-N 332.469 3.646 0 50 EHAA O=C(c1cc[nH]c1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 72479555 SZCZHLHOFQQPPV-NRFANRHFSA-N 337.467 3.533 0 50 EHAA Cc1[nH]c2c(F)cccc2c1CC(=O)N[C@H]1COC2(CCCCC2)C1 91915183 BFYOXEIOCKRMNK-CQSZACIVSA-N 344.430 3.766 0 50 EHAA CCCc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)[nH]n1 91932147 ZDYJMTIJPRMRCX-QGZVFWFLSA-N 337.427 3.606 0 50 EHAA O=C(NCc1ccc(Cl)s1)[C@H]1CCCN(Cc2ccco2)C1 95392351 MDSDRIYQXYQZGW-LBPRGKRZSA-N 338.860 3.523 0 50 EHAA Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 155055629 DXJAXGMPBYYNIF-FZKQIMNGSA-N 343.446 3.893 0 50 EHAA Cc1cccc(S(=O)(=O)Nc2ccc(C(C)(C)C)nn2)c1Cl 170609224 FHOXMNQRYUDUDK-UHFFFAOYSA-N 339.848 3.537 0 50 EHAA CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc(Cl)nc2)C12CCCC2 170637377 JMUFCMDDCZVGTC-KBPBESRZSA-N 337.851 3.937 0 50 EHAA C[C@@H](NC(=O)c1ccccc1OCC1CC1)c1nc(C(C)(C)C)no1 174720908 LLTPGJURIWWCDV-GFCCVEGCSA-N 343.427 3.647 0 50 EHAA Cc1ccc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)c(C)n1 176709217 MTLKZTYCNSDHMH-HKUYNNGSSA-N 339.439 3.988 0 50 EHAA Cc1cccc([C@H](NC(=O)c2cc(C3CC3)on2)c2ccccn2)c1 179282151 JZHVCKPGHHNITR-IBGZPJMESA-N 333.391 3.775 0 50 EHAA Cc1cc(C[C@@H](C)NC(=O)N2CCc3c(cccc3C(C)C)C2)n[nH]1 191178898 UYWVZLFQHLGSAS-CQSZACIVSA-N 340.471 3.540 0 50 EHAA Cc1cc(C)n2ncc(CN(C)Cc3csc(C(C)C)n3)c2n1 215931550 AJDQUKSXIGUMDR-UHFFFAOYSA-N 329.473 3.558 0 50 EHAA Cc1scc(C(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)c1-c1ccccc1 222074228 NHQWLMFVXZMIOZ-WBVHZDCISA-N 340.492 3.890 0 50 EHAA O=C(NCc1ccnc2ccccc12)c1cc(-c2ccsc2)n[nH]1 223561277 KPTGUKKEKHMNLN-UHFFFAOYSA-N 334.404 3.616 0 50 EHAA CCc1ccccc1C(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C 225400063 QKCPGUMDIGFVLV-CQSZACIVSA-N 334.460 3.624 0 50 EHAA COc1ccc(C2(c3noc([C@H]4CCCO4)n3)CCCC2)cc1OC 225554842 SCKWJCQDNDMQQI-OAHLLOKOSA-N 344.411 3.798 0 50 EHAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2ccco2)nc1O 239882289 DAYUQZQWKUYCCK-DVOMOZLQSA-N 326.396 3.840 0 50 EHAA CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cnn(C(C)C)c1N 242292519 YMXCZWPPHVGYAN-INIZCTEOSA-N 332.423 3.655 0 50 EHAA C[C@@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@@H]23)[C@]1(O)CCc1ccoc1 248331668 HQLLRHCTVDVUJB-PMHNSBFUSA-N 332.440 3.721 0 50 EHAA biogenic Cc1noc(C)c1CN(C)CCC(=O)Nc1ccc(F)c(Cl)c1 252486648 HNSNHEZXYQQWMY-UHFFFAOYSA-N 339.798 3.545 0 50 EHAA O=C(c1cncnc1-c1ccccc1)N1CCS[C@H]2CCCC[C@H]21 253417881 HNYOJXPXQDBXBR-SJORKVTESA-N 339.464 3.644 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]12C 257357295 NFVCQZNBRFPYOP-SYPDSTEESA-N 334.500 3.566 0 50 EHAA CCc1ccc([C@@H]2CCCN(C(=O)c3ccc4nc[nH]c4n3)C2)cc1 286344843 BHDPJSMFMXBHJJ-MRXNPFEDSA-N 334.423 3.540 0 50 EHAA COc1ccccc1OC[C@@H](C)NC(=O)Nc1c(C)cccc1OC 299780069 IBZGGPGMSHESAT-CQSZACIVSA-N 344.411 3.601 0 50 EHAA Cn1ncc2c(N[C@@H](COc3ccccc3)c3ccccc3)ncnc21 337867007 LGIUYEREPYDOKD-SFHVURJKSA-N 345.406 3.596 0 50 EHAA O[C@H]1C[C@H](c2ccc(F)c(F)c2)N(Cc2cc(-c3ccco3)on2)C1 340241059 XMDOMIGGJOPUJF-XJKSGUPXSA-N 346.333 3.521 0 50 EHAA Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)sc1C 355216658 DYQFWLXBSKPSOS-QGZVFWFLSA-N 328.481 3.711 0 50 EHAA C[C@H]1C[C@@H](c2cccs2)CN1CC(=O)N(C)Cc1cccs1 369653731 AXZIGDBLADZHPE-UONOGXRCSA-N 334.510 3.646 0 50 EHAA Cc1c(NC(=O)c2ccccc2OC(F)F)cccc1C(=O)N(C)C 825703853 ZVDBENPBAFGILJ-UHFFFAOYSA-N 348.349 3.551 0 50 EHAA CCc1ncnc(N2CCC[C@H](c3nc4c(s3)CCC4)C2)c1F 895673317 KKBDPGXVJLPNSJ-NSHDSACASA-N 332.448 3.507 0 50 EHAA Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC[C@@H]1CN1CCCC1=O 932524460 KTJAKORSWQYSAL-OAHLLOKOSA-N 346.471 3.503 0 50 EHAA CCCc1csc(NC(=O)Cc2cccc(C(F)(F)F)n2)n1 935184541 QWKUXZHURKGYIR-UHFFFAOYSA-N 329.347 3.691 0 50 EHAA CC[C@@H](C)n1nc(C)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 1529161620 NCEUMQLZGWPROK-CQSZACIVSA-N 340.427 3.542 0 50 EHAA CC(C)COc1ccccc1CN(C)C[C@H]1CCC(=O)N(C(C)C)C1 1775981326 KGMZDXMGEUPLBC-GOSISDBHSA-N 346.515 3.800 0 50 EHAA O=C(Cc1cccc2c1[nH]c1ccccc12)OC[C@H]1[C@H]2COCC[C@H]21 1875315581 AADCYWCBWHLKFG-FHLIZLRMSA-N 335.403 3.689 0 50 EHAA Cc1nc2ccc(Br)cc2cc1OC[C@@H]1C[N@]1CC1CC1 1875378571 GPGCEWYSJXBPRQ-YWZLYKJASA-N 347.256 3.779 0 50 EHAA C[C@H]1CN(C(=O)[C@@H]2CCOc3ccc(Cl)cc32)c2cnccc21 2325786603 FMCNVLIOJPRKSD-SMDDNHRTSA-N 328.799 3.751 0 50 EHAA Fc1cccc2c1[C@@H](NCc1ccc(N3CCCC3)nc1)CCCO2 2325797772 SYPBTMWCXORJIC-KRWDZBQOSA-N 341.430 3.824 0 50 EHAA CCN(Cc1ccc(C(=O)OCC[C@@H]2OCC[C@H]2C)cc1)C1CC1 2325874251 FTCXRNOPVJAYMY-BEFAXECRSA-N 331.456 3.643 0 50 EHAA COc1ccc2[nH]c(C)c(CCNC(=O)c3ccc(F)cc3)c2c1 140686 NMIHFBVYLBSSBB-UHFFFAOYSA-N 326.371 3.597 0 50 EHAA biogenic,in-vitro C[C@@H](CCc1ccccc1)NC(=O)C1(c2ccccc2)CCOCC1 195228 JFGNKFXGCXHFBH-SFHVURJKSA-N 337.463 3.872 0 50 EHAA C[C@H]1C[C@@H](C)CN(CCC(=O)Nc2ccc(Br)cc2)C1 257456 KYMDWKGHAZIHNA-BETUJISGSA-N 339.277 3.756 0 50 EHAA in-vitro COc1cc(C(=O)Oc2cc(C)ccc2Cl)cc(OC)c1OC 299202 WXDWADABZDOAAZ-UHFFFAOYSA-N 336.771 3.893 0 50 EHAA O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1Cc1ccco1 443327 AJHGAJRYOSUADT-LJQANCHMSA-N 348.358 3.775 0 50 EHAA CCOc1cc(OCC)cc(C(=O)Nc2ccc(C(C)=O)cc2)c1 447691 OAZPKKPUNVOQSZ-UHFFFAOYSA-N 327.380 3.939 0 50 EHAA CCc1cc2c(SCC(=O)NCc3ccccc3)ncnc2s1 572873 BXHXBFMWWXLFSR-UHFFFAOYSA-N 343.477 3.662 0 50 EHAA COCCOC(=O)c1c(C)oc2ccc(OCC(=O)C(C)(C)C)cc12 1799012 ZILVYRCMPCHAHN-UHFFFAOYSA-N 348.395 3.538 0 50 EHAA biogenic C[C@H]1CCC[C@@H](N2CCC(N3CCN(c4ccccc4)CC3)CC2)C1 2734701 SVKBQAXMGBRMLF-SIKLNZKXSA-N 341.543 3.852 0 50 EHAA COCCCNCCCCOc1ccc(C)cc1Br 3000436 OWSPWCIGDGALTD-UHFFFAOYSA-N 330.266 3.543 0 50 EHAA O=C(Nc1ccccc1Cl)N1CCN(c2ccccc2F)CC1 3002024 QCBYRVYHNMACKT-UHFFFAOYSA-N 333.794 3.833 0 50 EHAA CC(C)(C)OC(=O)N1C[C@H](Cc2cccc(Cl)c2)C[C@H]1C(=O)O 4241333 RAJKVFMPBMVDDC-OCCSQVGLSA-N 339.819 3.593 0 50 EHAA O[C@@H](COc1c(Cl)cc(Cl)cc1Cl)CN1CCCCC1 4819515 PARURLGTYFRKCK-LLVKDONJSA-N 338.662 3.872 0 50 EHAA COc1ccccc1-c1nnc2n1N=CC=C(c1ccccc1)S2 6670013 JYVASSAUPXKSPS-UHFFFAOYSA-N 334.404 3.934 0 50 EHAA COc1ccc(-c2nc(CNC(=O)Nc3ccccc3)c(C)o2)cc1 8608265 RWZYZCHZZDNADA-UHFFFAOYSA-N 337.379 3.980 0 50 EHAA Nc1nc2c(c(Nc3ccccc3)n1)C(=O)C[C@H](c1ccccc1)C2 9361168 QHLYVJAJXDHDGX-CQSZACIVSA-N 330.391 3.715 0 50 EHAA COc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2OC)cc1OC 12383683 NCAYAABSLMTOQD-NSHDSACASA-N 349.814 3.857 0 50 EHAA Cc1cccc(CN2CC[C@@H](N(C)Cc3ccco3)CCC2=O)c1 12455420 KCWYZBUHGYLERP-SFHVURJKSA-N 326.440 3.601 0 50 EHAA CCCC(=O)Nc1ccc(NC(=O)c2cccc(C)c2OC)cc1 12651463 PZGGBCJLBIHBRB-UHFFFAOYSA-N 326.396 3.995 0 50 EHAA COc1ccc(/C=c2\oc3cccc4c(OC)ccc(c2=O)c34)cc1 12658467 VSHJJYYIZBMTFV-UNOMPAQXSA-N 332.355 3.511 0 50 EHAA biogenic Cc1cccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)c1 13494901 NHZXBXBFBWEQLR-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA CC(C)OC(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1 13553035 WAHNZIWNIGAICH-UHFFFAOYSA-N 341.392 3.509 0 50 EHAA Cc1nnc(NC(=O)[C@H](C)Sc2cc(C)c3ccccc3n2)s1 16648579 UNGIGEXWEWOOSU-JTQLQIEISA-N 344.465 3.822 0 50 EHAA COC(=O)c1c(NC(=S)N2CCCC[C@@H]2C)sc(C)c1C 17066863 BDJWZXSBNWSQPR-VIFPVBQESA-N 326.487 3.723 0 50 EHAA Cc1ccc2[nH]c(C(=O)Nc3ccccc3N3CCOC3=O)cc2c1 19607110 FYCJMPJMOPXJBM-UHFFFAOYSA-N 335.363 3.685 0 50 EHAA c1ccc2c(C[C@H]3CN(C4CCSCC4)CCO3)cccc2c1 23339935 RYCHNRPLIGGQMR-IBGZPJMESA-N 327.493 3.979 0 50 EHAA Cc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2c[nH]c(C)n2)cc1 55341585 BETQXQCOGAOKNK-UHFFFAOYSA-N 349.434 3.958 0 50 EHAA C[C@@H](c1nc(CCc2ccccc2)nn1-c1ccccn1)N1CCCC1 65385621 NNFKWQXFIQDKSE-KRWDZBQOSA-N 347.466 3.604 0 50 EHAA COc1ccc(Oc2ccc(C(C)C)nn2)cc1CN1CCCC1 67909858 KIIRWWFNHFAUIH-UHFFFAOYSA-N 327.428 3.997 0 50 EHAA COCCCn1ccnc1-c1cnc(-c2ccc(Cl)cc2)nc1 67935189 TWDJNFOTZQHJDW-UHFFFAOYSA-N 328.803 3.697 0 50 EHAA CC[C@@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1cnn(C)c1 72424977 WPJTWZZLTCMJMU-MRXNPFEDSA-N 332.411 3.693 0 50 EHAA C[C@@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1ccc(O)cc1 72475377 RBFUFZUOWUMJLP-CQSZACIVSA-N 327.424 3.587 0 50 EHAA Cc1cccc2[nH]c([C@H]3CCCN(C(=O)Cc4cccc(O)c4)C3)nc12 77437787 VZBPRPVPXJBSDW-INIZCTEOSA-N 349.434 3.526 0 50 EHAA Fc1ccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3ccncc3)C2)cc1 77504898 QYMFQYTXYAWQFE-QGZVFWFLSA-N 336.414 3.990 0 50 EHAA Cn1ccnc1-c1cn([C@H](c2cccs2)C2CCCCC2)nn1 91270285 FIDFJVUXZYJGSV-INIZCTEOSA-N 327.457 3.910 0 50 EHAA CC(C)c1nccn1CCCNC(=O)c1ccc([C@H]2CCCO2)s1 91644053 FYTZFLBOUCIZTC-CQSZACIVSA-N 347.484 3.740 0 50 EHAA CNc1cc(C)nc(-c2ccccc2C(=O)N(C(C)C)C(C)C)n1 97602147 UWIZVVODOPLJLA-UHFFFAOYSA-N 326.444 3.753 0 50 EHAA O=C(NNc1cccc(Cl)c1)c1cnc2c(F)cc(F)cc2c1O 170600639 BMSHKMTVNAKLSQ-UHFFFAOYSA-N 349.724 3.629 0 50 EHAA CC(C)c1noc(-c2ccnc(NCc3cccc4c3OCO4)c2)n1 174697185 KDJREZLUMUDZNL-UHFFFAOYSA-N 338.367 3.596 0 50 EHAA Cc1ccc(-c2nc([C@@H]3CCCN3C(=O)C(F)(F)F)cs2)o1 187003756 KWOKQFKYBJRUJI-JTQLQIEISA-N 330.331 3.937 0 50 EHAA Cc1csc([C@H](NC(=O)[C@@H]2CCCc3c(O)cccc32)C2CC2)n1 190499201 HBMOBCGYXJIIMH-NVXWUHKLSA-N 342.464 3.845 0 50 EHAA O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccnnc1 192075338 VMTIJVHQCPNORG-UHFFFAOYSA-N 341.720 3.568 0 50 EHAA C[C@H](NC(=O)N[C@H](C)[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 245936979 STLGTVTVNMCEFL-DVOMOZLQSA-N 345.468 3.738 0 50 EHAA CC[C@H]1CCCN(C(C)(C)CNC(=O)c2cc(O)ccc2Cl)C1 252498775 RKTXRTXNOHCIOJ-ZDUSSCGKSA-N 338.879 3.676 0 50 EHAA O=C(Nc1ncc(C2CCNCC2)s1)[C@H](c1ccccc1)C1CC1 261978157 CFFXMBGSXQAPCL-QGZVFWFLSA-N 341.480 3.742 0 50 EHAA COc1cccc(CN(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 273442678 NQAWWRVIFBTFMA-ROUUACIJSA-N 330.403 3.581 0 50 EHAA CCN(CC)CCN(C)C(=O)c1cccc(-c2cccc(F)c2O)c1 299767837 VZNBQQRYFRIEAS-UHFFFAOYSA-N 344.430 3.612 0 50 EHAA CC1(C)CN(C(=O)Nc2ccccc2-c2c(F)cccc2F)C[C@H]1O 408452088 LZRZKYACBOKJCD-MRXNPFEDSA-N 346.377 3.866 0 50 EHAA CC1(C)CN(C(=O)c2ccccc2-c2nc[nH]n2)C[C@H]1c1ccccc1 426528076 SKZKPDWYACFRIZ-SFHVURJKSA-N 346.434 3.738 0 50 EHAA CCc1ccc(CN(C(=O)NCc2cnn(CC)c2C)C2CC2)cc1 534644820 WXWRHVDALPPQTC-UHFFFAOYSA-N 340.471 3.648 0 50 EHAA O=C(O)c1sccc1CN1CCC([C@@H](O)c2ccc(F)cc2)CC1 833347809 URGJAGSZRIMPKL-INIZCTEOSA-N 349.427 3.531 0 50 EHAA FC(F)(F)c1cccc(CNc2nnc([C@@H]3CCCOC3)o2)c1 849158715 FQLYWJYVZOJIMT-LLVKDONJSA-N 327.306 3.595 0 50 EHAA COc1ccccc1CNC[C@@H]1CCCc2ccc(C(=O)O)cc21 901882187 YMSMSIXFSNBPSQ-INIZCTEOSA-N 325.408 3.603 0 50 EHAA CCNc1nc(C)c(C(=O)NCc2csc3c2CCCC3)s1 1506403456 RVEYRKVBLGRSDC-UHFFFAOYSA-N 335.498 3.754 0 50 EHAA CC[C@@H](C)C(=O)Nc1cccc(C(=O)Nc2cnn(C(C)C)c2)c1 1529167738 NJBDTBKWTWEWAR-CYBMUJFWSA-N 328.416 3.701 0 50 EHAA CCCC[C@@H]1CN(Cc2cc(-c3ccncc3)no2)C[C@H](C2CC2)O1 1857720919 QHOKYMHJSKESNR-YLJYHZDGSA-N 341.455 3.906 0 50 EHAA Cc1ccc2nc(-c3ccco3)cc(C(=O)N[C@H]3[C@H]4COCC[C@H]43)c2c1 1875278642 QZTNSLABFOURBO-JOTOCRJQSA-N 348.402 3.568 0 50 EHAA Cc1cc(S(=O)(=O)NC(C)C)c(C(C)C)cc1Br 1875303143 XRKDGTAYSVIMQP-UHFFFAOYSA-N 334.279 3.568 0 50 EHAA Fc1ccc(Cn2cc(OCc3csc(C4CC4)n3)cn2)cc1 1875327658 DXQKNMWQCCWBDB-UHFFFAOYSA-N 329.400 3.983 0 50 EHAA CC[C@H](C)c1csc(NC(=O)N(C)Cc2ncc(Cl)n2C)n1 2325728096 XNTJWSZTTWBJDV-VIFPVBQESA-N 341.868 3.707 0 50 EHAA CC(C)(C)c1ccc(CN2CC[C@H](CC(=O)O)C(F)(F)CC2)cn1 2325788259 VRVWQLXWWZTZNH-CQSZACIVSA-N 340.414 3.701 0 50 EHAA CC1(C)CN(CCNCc2cccc3[nH]ccc23)c2ccccc2O1 2325858699 XPMMBGGUXJULAQ-UHFFFAOYSA-N 335.451 3.935 0 50 EHAA Cc1ccccc1NC(=O)CSc1nc2ccc(N)cc2s1 184019 SRJQYGCINGTQDU-UHFFFAOYSA-N 329.450 3.918 0 50 EHAA O=C1c2ccccc2CN1CCSC(=S)N1CCCCCC1 207678 WEHDTZJWYLEHTE-UHFFFAOYSA-N 334.510 3.537 0 50 EHAA biogenic Cc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 382625 IWQGGZSODPRAFW-CYBMUJFWSA-N 329.421 3.886 0 50 EHAA O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(Cl)cc1 477265 IHSSOGRCFXZFKZ-UHFFFAOYSA-N 344.827 3.652 0 50 EHAA COc1ccc(C2=C[C@H](c3ccc(OC)cc3)N=C(S)N2)cc1 3672155 LIRYNIOWEDKWFX-MRXNPFEDSA-N 326.421 3.675 0 50 EHAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccc(C)n1 4970469 WTFLAZKFBYXZRQ-UHFFFAOYSA-N 340.832 3.551 0 50 EHAA COc1ccc(CNCc2ccc(OC)c(Br)c2)cc1 5005530 CATXFPQJBNWVGL-UHFFFAOYSA-N 336.229 3.756 0 50 EHAA CC(=O)c1ccc(-n2c(S)nnc2-c2ccc3ccccc3n2)cc1 5817139 YZPZVMMFOPSHBO-UHFFFAOYSA-N 346.415 3.974 0 50 EHAA OCC1(Cc2ccccc2)CCN(Cc2cccc(F)c2F)CC1 12028324 WEPKDTXAHUNBNA-UHFFFAOYSA-N 331.406 3.782 0 50 EHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@H](N(C)CC(C)C)C3 12212169 GBLBZCZYFMWXBA-AWEZNQCLSA-N 347.528 3.703 0 50 EHAA CCCOc1ccc(Br)cc1C(=O)NCc1cccnc1 12404361 LHWGOBJNPBEAGW-UHFFFAOYSA-N 349.228 3.563 0 50 EHAA c1ccc2c(c1)C[C@@H]1OC(CC3=N[C@@H]4c5ccccc5C[C@H]4O3)=N[C@H]21 12958147 BDHSVQLSNIGJNC-HRQSHJORSA-N 330.387 3.566 0 50 EHAA Nc1nc(N)c2cc(NCc3ccc(Cl)c(Cl)c3)ccc2n1 13285095 LTSQDQVTNREIAO-UHFFFAOYSA-N 334.210 3.713 0 50 EHAA CC[C@H](C)c1ccc(S(=O)(=O)N(C)Cc2cn(CC)nc2C)cc1 14226339 YPPYDKWHELMELY-AWEZNQCLSA-N 349.500 3.546 0 50 EHAA COc1cc(C)ccc1OCc1nc(C(=O)N2CCCCCC2)co1 15062435 CHELEPFJXKPTNN-UHFFFAOYSA-N 344.411 3.587 0 50 EHAA CC(C)(C)C1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CC1 16672182 MTZCWOHQHHJQGX-VEZWFGLTSA-N 328.500 3.872 0 50 EHAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nc3ccccc3s2)C1 59739773 HOQCWGPKVQQPHY-GFCCVEGCSA-N 345.468 3.520 0 50 EHAA Cc1ccc(-c2nccn2[C@H](CCn2cncn2)c2ccccc2)o1 71747054 ZOESOUMAFTXCHE-QGZVFWFLSA-N 333.395 3.723 0 50 EHAA COc1ccc2cc([C@H]3CN(Cc4cccnc4)CCO3)ccc2c1 71749369 WXQHVVPGEHELER-OAQYLSRUSA-N 334.419 3.817 0 50 EHAA Cc1cc(CNC(=O)CCCN2CCCC2)c2[nH]c(C)c(C)c2c1 71767698 URLINHJYESYPAL-UHFFFAOYSA-N 327.472 3.585 0 50 EHAA CN1C[C@]2(CCN(Cc3cccc4c3oc3ccccc34)C2)OC1=O 72409631 SZNAKMBWYYKKCO-FQEVSTJZSA-N 336.391 3.613 0 50 EHAA CN1CCCCC[C@H]1C(=O)N(Cc1cccnc1)Cc1ccsc1 95356222 GUTSYZWXZMHQSF-SFHVURJKSA-N 343.496 3.546 0 50 EHAA CC(C)N(C(=O)c1ccccc1-c1n[nH]c(C(F)(F)F)n1)C(C)C 96139881 INEFPCPKKLKRIW-UHFFFAOYSA-N 340.349 3.750 0 50 EHAA Cc1ccc(Cn2nc(C3CC3)nc2CCCn2nc(C)cc2C)cc1 96180128 OFRXEPYGTMGPKH-UHFFFAOYSA-N 349.482 3.958 0 50 EHAA C[C@@H](Cc1cnccn1)N(C)Cc1cc(CN2CCCCC2)cs1 97638000 XMOBPLJGQQVCJQ-INIZCTEOSA-N 344.528 3.587 0 50 EHAA COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(C(C)=O)cc3)C2)cc1 155550840 VHRRWEFZMBLTAB-QGZVFWFLSA-N 338.407 3.919 0 50 EHAA c1cc(Cc2nnc(NCc3cnc([C@H]4CCCO4)s3)o2)cs1 170592378 YNSBHFJBBZGKFO-GFCCVEGCSA-N 348.453 3.642 0 50 EHAA O=C([C@H]1Cc2ccccc2O1)N(CC1CCCCC1)c1ccccn1 179285659 CSPJVZNMPDKPSD-LJQANCHMSA-N 336.435 3.999 0 50 EHAA O=C(Nc1ccc2cc[nH]c2c1)N1CCO[C@H](c2cccc(F)c2)C1 194270227 RAGOZIGNAGYOCS-SFHVURJKSA-N 339.370 3.912 0 50 EHAA Cn1ccnc1[C@H]1CCCN(Cc2ccc3c(c2)CC(C)(C)O3)C1 215469635 QEWOFKPRIGHRIQ-INIZCTEOSA-N 325.456 3.513 0 50 EHAA COc1cc2c(cc1CN1CCC[C@@H]1c1nccs1)OCCCO2 215995332 GIUGIXMGZPZCGL-CQSZACIVSA-N 346.452 3.650 0 50 EHAA Cc1oc(-c2ccccc2)nc1CC(=O)NCc1nc2ccccc2o1 223551752 WGRSOTAOQORVHD-UHFFFAOYSA-N 347.374 3.650 0 50 EHAA FC(F)Cn1ncnc1CN1CCCCC[C@@H]1C1CCCCC1 225614329 QOZAXFBWUFVYOX-OAHLLOKOSA-N 326.435 3.868 0 50 EHAA O=C1CCc2cc(NC(=O)NCc3ccc(C4CC4)cc3)ccc2N1 252508838 XVMSQBMSBFYISU-UHFFFAOYSA-N 335.407 3.770 0 50 EHAA O=C(CC1(n2cccc2)CCCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 253413476 UWJIZZKSAFJHHX-GHTZIAJQSA-N 344.499 3.691 0 50 EHAA CC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253502006 UQVIXFCYKBWZPJ-SABPTEDYSA-N 330.468 3.647 0 50 EHAA CN(C(=O)c1cccc(O)n1)[C@H](c1ccccc1)c1ccc(F)cc1 253535158 QRLRXMGYKFGJGF-LJQANCHMSA-N 336.366 3.788 0 50 EHAA O=C(C[C@H](c1cccc2ccccc12)n1cccc1)Nc1ncc[nH]1 263588709 XMPSWATXVBVEHZ-GOSISDBHSA-N 330.391 3.983 0 50 EHAA CS[C@H]1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 296118961 FKUPXILPIZIHGV-LBPRGKRZSA-N 335.498 3.614 0 50 EHAA CCCCn1nccc1NC(=O)N1CCCC[C@H]1c1cc(C)on1 299764248 YUYOKUOPZJTITN-HNNXBMFYSA-N 331.420 3.739 0 50 EHAA Cc1sc(C(=O)O)cc1CN(C)[C@H]1CCCN(c2ccccc2)C1 328596828 AMQSRKMJUHXGMW-KRWDZBQOSA-N 344.480 3.856 0 50 EHAA O=C(c1coc(-c2ccccc2)n1)N1CCOC[C@@H]1c1ccccc1 374107147 LSBANZJLGZZMJP-GOSISDBHSA-N 334.375 3.555 0 50 EHAA CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)c1ocnc1C1CC1 408521714 KKIJCWHXXUUIHF-CQSZACIVSA-N 348.443 3.669 0 50 EHAA CCCSCCNC(=O)c1ccc(-c2nc(C)ncc2CC)cc1 426622862 AVKBWEJMMWQQCC-UHFFFAOYSA-N 343.496 3.887 0 50 EHAA O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)[C@H](F)C(F)(F)F 815286445 MIOFBQKGDOIYNC-ZETCQYMHSA-N 339.195 3.513 0 50 EHAA O=C(c1cnc(-c2ccccn2)nc1)N1CCCC2(CCCC2)CC1 824841980 QFZFQRVXBQMRRK-UHFFFAOYSA-N 336.439 3.725 0 50 EHAA COc1ccc2[nH]c(CN(CCCO)Cc3cccs3)c(C)c2c1 828752909 MJAFIUXCTUZXPU-UHFFFAOYSA-N 344.480 3.931 0 50 EHAA O[C@H](CNCCC1SCCS1)c1cccc(C(F)(F)F)c1 853121595 FKCMFHRDRQNWQJ-GFCCVEGCSA-N 337.432 3.525 0 50 EHAA Cc1occc1-c1cc(NC(=O)N[C@@H](c2ccccn2)C2CC2)no1 931109227 FAMUUHQWASFRKC-QGZVFWFLSA-N 338.367 3.911 0 50 EHAA Cc1ccc(NC(C)(C)C(=O)N2CC(Oc3ccccc3C)C2)cc1 1506420701 BQYDQXLAXVQUNH-UHFFFAOYSA-N 338.451 3.784 0 50 EHAA CO[C@@H]1CCC[C@@]12CCCN(Cc1ccc(Cn3cccn3)cc1)C2 1704298362 HWJPCRHJTXNVIX-RTWAWAEBSA-N 339.483 3.713 0 50 EHAA Cc1ccc2c(N3CCN(c4ncnc(C)c4C)CC3)ccnc2c1C 1704311681 PVQFHACAVVSUGD-UHFFFAOYSA-N 347.466 3.585 0 50 EHAA CCCc1ncc(CN[C@H]2CC3(CCOCC3)Oc3ccccc32)o1 1875284819 ONHZDMVCVQGTPM-KRWDZBQOSA-N 342.439 3.790 0 50 EHAA Cc1ccc2cc(NC(=O)C[C@@H](Cc3ccccc3)C(=O)O)ccc2n1 1875360669 FAFLLRIDZYTROL-QGZVFWFLSA-N 348.402 3.815 0 50 EHAA C(=C/c1ccncc1)\CN[C@H]1CCc2nc(-c3ccccc3)cn2C1 2325743869 DANFMICGSRVYFL-PXPVJAHISA-N 330.435 3.563 0 50 EHAA COc1cc(NCC2[C@@H]3CCCCC[C@@H]23)nc(C2CCOCC2)n1 2325865138 OSLHQGZYPNFZFQ-HUUCEWRRSA-N 331.460 3.617 0 50 EHAA O=C(Nc1cccc(/C=C/C(F)(F)F)c1)C(F)(F)c1cnccn1 2325868992 UJWWCWRPMIDXDV-SNAWJCMRSA-N 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346.452 3.609 0 50 EHAA CCN(Cc1cnn(C(C)C)c1)C(=O)Cc1ccc(F)cc1Cl 219889032 FYMQJKRCNHRYNI-UHFFFAOYSA-N 337.826 3.848 0 50 EHAA CC(C)c1nc(CNC(=O)c2cc(-c3cccs3)nn2C)cs1 220193981 WHHKZOZILKGLGE-UHFFFAOYSA-N 346.481 3.659 0 50 EHAA CC[C@@H](NC(=O)C(=O)N[C@@H](c1ccccc1)C1CC1)c1ccccc1 239359556 AESBBTDYKQTRKS-MOPGFXCFSA-N 336.435 3.521 0 50 EHAA Cc1ccc2c(C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)csc2c1 241846646 SMOIXFPQMKEZJQ-SCLBCKFNSA-N 347.505 3.994 0 50 EHAA CCCCSCc1cc(C(=O)NC2(C(=O)O)CCCC2)oc1C 244899310 ZHPABKRDZKXVJT-UHFFFAOYSA-N 339.457 3.749 0 50 EHAA O[C@@H](COCc1cccs1)CN1CCC[C@H]1c1cccc(F)c1 247746190 RPOMHHYLUHXVNV-AEFFLSMTSA-N 335.444 3.602 0 50 EHAA Cc1nc(CC(C)C)oc1C(=O)N[C@H]1c2cccc(F)c2O[C@@H]1C 252500371 STNKSSJCPNLSSI-IAQYHMDHSA-N 332.375 3.573 0 50 EHAA CN1CCCN(C(=O)c2cccc([C@@H]3CCOC3)c2)c2ccccc21 270630943 IOHYQPDTACQQHZ-GOSISDBHSA-N 336.435 3.677 0 50 EHAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@H](C)Cc1ccc(Cl)cc1 275600200 QHSLZVUEOVSVJW-COXVUDFISA-N 333.863 3.607 0 50 EHAA Fc1ccc(F)c(CN(Cc2ccccn2)[C@H]2CCCNCC2)c1 275675772 LWHIFMUCFIOCKI-SFHVURJKSA-N 331.410 3.504 0 50 EHAA Cc1ccoc1C(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 305258390 PUOXCHRIRSTWEF-KBPBESRZSA-N 339.313 3.555 0 50 EHAA C[C@@H](C1CC1)n1nccc1NC(=O)N1CCC(c2nccs2)CC1 328588685 MKKQAPJGQNQPME-LBPRGKRZSA-N 345.472 3.722 0 50 EHAA COc1cccc(C(=O)Nc2ccc(C[C@H](C)C(=O)O)cc2)c1C 659148373 YLSOIQAVOLYMQP-LBPRGKRZSA-N 327.380 3.519 0 50 EHAA Cc1nc2cc(C(=O)NCc3n[nH]c4c3CCCCC4)ccc2s1 670461592 QVATZEOQUUUPCB-UHFFFAOYSA-N 340.452 3.527 0 50 EHAA CCc1cccc(NC(=O)CCC(=O)N[C@@H](C)Cc2ccsc2)c1 823531391 NAZSHCZRNPQEFR-AWEZNQCLSA-N 344.480 3.777 0 50 EHAA CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1ncn(-c2ccccc2)n1 885235243 XXWVQGZGCLXPNA-QGZVFWFLSA-N 346.434 3.676 0 50 EHAA CC(C)N(C(=O)c1coc2c1C(=O)NCCC2)[C@@H](C)c1ccccc1 905739093 LAQDAQFKVQICQI-AWEZNQCLSA-N 340.423 3.567 0 50 EHAA CC(C)c1ncsc1NC(=O)NCCc1nc2c(s1)CCC2 931665651 KDCIVWNFVVYMSJ-UHFFFAOYSA-N 336.486 3.576 0 50 EHAA CC[C@@H](c1cccnc1)N(C)C(=O)c1cc(=O)c2ccc(C)cc2o1 952969423 FEGQDEBWDLVRAC-INIZCTEOSA-N 336.391 3.720 0 50 EHAA CN(C)c1ncccc1CNc1ccc(-c2cn3c(n2)CCCC3)cc1 1323676828 KLFSGGHGMCADTN-UHFFFAOYSA-N 347.466 3.960 0 50 EHAA O=C(NCc1cc(Oc2cccc(Cl)c2)ccn1)[C@@H]1CCCOC1 1337536639 VLTTZAIMFXPKGZ-CYBMUJFWSA-N 346.814 3.570 0 50 EHAA Cc1csc(CCNC(=O)Cc2nc(C3CCCCC3)cs2)n1 1440334592 DESMLYXIZSJMJJ-UHFFFAOYSA-N 349.525 3.857 0 50 EHAA COC(=O)[C@H]1C[N@@]1C(c1ccccc1)(c1ccccc1)c1ccccc1 1857522905 QGSITPKXYQEFIR-ZJSXRUAMSA-N 343.426 3.836 0 50 EHAA COc1ccc2c(c1)C[C@H](C)N(C(=O)[C@H]1CCC(C)(C)CO1)[C@H]2C 1875358207 MZOXRVXAETZXRA-SUNYJGFJSA-N 331.456 3.735 0 50 EHAA Cn1cc(C(=O)OCCC2=CC[C@H]3C[C@@H]2C3(C)C)c([C@H]2CCCO2)n1 2325865946 VMTVIIXMWLTBMB-BHYGNILZSA-N 344.455 3.811 0 50 EHAA Cc1nc(-c2ccccc2)c(NC(=O)CCc2cc(Cl)no2)n1C 2356169944 NDWGPYKUHXOIAK-UHFFFAOYSA-N 344.802 3.608 0 50 EHAA CCOC(=O)[C@H](CC)n1cnc2scc(-c3ccccc3)c2c1=O 144763 UCLRRRGJUCQHHV-AWEZNQCLSA-N 342.420 3.639 0 50 EHAA Cc1c(O[C@@H]2CCCCC2=O)ccc2c3c(c(=O)oc12)CCCC3 407788 MFXQCAPCKZAWHW-GOSISDBHSA-N 326.392 3.871 0 50 EHAA COc1cccc([C@H](C)NC(=S)Nc2ccc(C(C)=O)cc2)c1 609646 JBXCXSDRFRMXBX-LBPRGKRZSA-N 328.437 3.945 0 50 EHAA COc1ccc(F)cc1S(=O)(=O)Nc1ccc2ccccc2c1 618652 MDPWTGXJJRZBGA-UHFFFAOYSA-N 331.368 3.788 0 50 EHAA CC1(C)Cc2cccc(OCC(=O)Nc3cnc4ccccc4c3)c2O1 1425419 PIJZLHWITWYPHE-UHFFFAOYSA-N 348.402 3.966 0 50 EHAA CC(C)CN(CC(C)C)C(=O)CC(=O)N(CC(C)C)CC(C)C 2165397 ZABBKBCPKIMSFX-UHFFFAOYSA-N 326.525 3.658 0 50 EHAA Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NC(C)C)c3n2)cc1 2769749 KMRABAYVELGURP-UHFFFAOYSA-N 344.365 3.781 0 50 EHAA CCCCNC(=O)/C(=C/c1ccccc1)NC(=O)/C=C/c1ccccc1 2815018 YCMCDROYPOFOLM-URPSTEAUSA-N 348.446 3.773 0 50 EHAA CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2 3875342 FIPWRIJSWJWJAI-UHFFFAOYSA-N 338.444 3.718 0 50 EHAA biogenic,fda Cc1csc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)n1 4749788 QCLMBLCGGOUMAS-VIFPVBQESA-N 341.230 3.620 0 50 EHAA C[C@@H](NC=O)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 4809916 XDEPHFYYBJNSAY-CYBMUJFWSA-N 343.814 3.576 0 50 EHAA CC(C)(C)c1ccc(OCC(=O)Nc2ccc(CC(=O)O)cc2)cc1 4868817 PUNFTHNDCYHYIG-UHFFFAOYSA-N 341.407 3.629 0 50 EHAA CCCCc1nc(CN2CCC[C@H](N(C)Cc3ccccc3)C2)c[nH]1 19811615 WYFXUANBAICZGS-FQEVSTJZSA-N 340.515 3.849 0 50 EHAA CCOc1cc(CN2CCN([C@H]3CCC[C@@H](C)C3)CC2)ccc1OC 19831776 DXNPGRXEKLISFW-MJGOQNOKSA-N 346.515 3.790 0 50 EHAA COc1ccc2[nH]c(CN3CCC[C@@H](N4CCCC4)C3)c(C)c2c1 20783602 DCQLOKRQUVJICW-MRXNPFEDSA-N 327.472 3.545 0 50 EHAA Cc1ccc(-c2cc(C(=O)N[C@H](C)Cc3cccs3)[nH]n2)cc1 33205686 OMKLSAXSWVYJCK-CYBMUJFWSA-N 325.437 3.808 0 50 EHAA O=C(O)c1cc(NCCc2ccc(C(F)(F)F)cc2)ccc1O 34885635 UTMVACIBQLDZLP-UHFFFAOYSA-N 325.286 3.764 0 50 EHAA CCN(Cc1cn(C2CCN(C3CCCCCC3)CC2)nn1)C(C)C 48155907 GDBFJLQBHWTUTB-UHFFFAOYSA-N 347.551 3.868 0 50 EHAA Cc1n[nH]c(C)c1CCCNC(=O)CC12CC3CC(CC(C3)C1)C2 55042103 WPYKDUCGAFCBNQ-UHFFFAOYSA-N 329.488 3.682 0 50 EHAA CC[C@@H](NC(=O)C1(Nc2ccc(C)cc2)CCCC1)c1cnn(C)c1 65435168 MRDHZMIOWXQBIX-GOSISDBHSA-N 340.471 3.721 0 50 EHAA CCCCc1c(-c2ccccc2)ncn1CCN1CCC[C@H](CO)C1 65509005 MQYNNNBPNFZQDJ-SFHVURJKSA-N 341.499 3.597 0 50 EHAA CCc1cc(-c2ccc(OC)c(OC)c2OC)ccc1NC(C)=O 67513862 NEIQEUJGFUUAQK-UHFFFAOYSA-N 329.396 3.900 0 50 EHAA Cc1cc(OCCCC(C(=O)O)C(=O)O)c(C(C)C)cc1Cl 71766932 QCJMYEGAPUHRJR-UHFFFAOYSA-N 328.792 3.716 0 50 EHAA Cn1cc(-c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)cn1 72150157 UEHCBVATGNTSPB-UHFFFAOYSA-N 345.406 3.707 0 50 EHAA Cc1cc2c(cc1CN1CCCC[C@H]1CCn1ccnc1C)OCO2 77525375 BEEVMVBQNLGDQO-SFHVURJKSA-N 341.455 3.673 0 50 EHAA Cc1ncsc1CCc1nc(COc2ccccc2)nn1C(C)C 95524800 BOSHTXJLHHJPBT-UHFFFAOYSA-N 342.468 3.988 0 50 EHAA CCc1nc(C)c(C(=O)N(Cc2cccnc2)Cc2ccsc2)o1 97717173 GMQFYCZOXMTHBJ-UHFFFAOYSA-N 341.436 3.845 0 50 EHAA CN1CCN(C(=O)c2csc(Cc3ccccc3)n2)c2ccccc21 110474577 NFOCIYXCTYUMRC-UHFFFAOYSA-N 349.459 3.831 0 50 EHAA COc1ccc2oc([C@H](C)NCc3nnc(C)n3C3CC3)c(C)c2c1 170077504 VUYLBONSNSNHHT-LBPRGKRZSA-N 340.427 3.835 0 50 EHAA C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC[C@@]2(CC=CCC2)C1 170626844 SGEOMYZUQAJSPT-UWJYYQICSA-N 346.515 3.810 0 50 EHAA COc1ccc(NC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 179120508 BBXVWUBPMUSXII-KXBFYZLASA-N 340.423 3.985 0 50 EHAA CC[C@H](O)CN(Cc1ccccc1)Cc1c[nH]c(-c2ccccc2)n1 179947853 ZEDYSMGWLYPGOM-FQEVSTJZSA-N 335.451 3.850 0 50 EHAA Cc1cc(-c2ncccc2NC(=O)NC[C@@H]2CCCN(C)C2)cs1 189215220 HTGIMZZFTINBAY-AWEZNQCLSA-N 344.484 3.582 0 50 EHAA Cc1ccsc1[C@@H](Cc1ccccc1)NCc1nc(N(C)C)no1 192794477 JNALXJOLPJGOJW-OAHLLOKOSA-N 342.468 3.579 0 50 EHAA O=C1C[C@@H](CN[C@@H]2CCCOc3cc(F)ccc32)c2ccccc2N1 221775613 UQFHTFQNXZUOCJ-SUMWQHHRSA-N 340.398 3.755 0 50 EHAA CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCC2)C1(C)C 230109788 DJLXGWSJBPPVIH-NUJGCVRESA-N 330.472 3.771 0 50 EHAA CNC[C@@H]1CCCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)C1 237250995 YQFBLQXQGKKXQJ-KRWDZBQOSA-N 331.504 3.682 0 50 EHAA O=C(O)c1ccc(CCC(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 238058361 FGAVTFBAGBCNKJ-LJQANCHMSA-N 337.419 3.551 0 50 EHAA CC[C@H](C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 239309538 HQYXRRIFBOWPJS-MNZLEMJZSA-N 338.451 3.767 0 50 EHAA Cn1nccc1C1CCN(C(=O)Nc2ccc(C3CC3)c(F)c2)CC1 239782422 COKRQRQMXAAXGF-UHFFFAOYSA-N 342.418 3.848 0 50 EHAA O[C@H](COCc1ccccc1)CN1CCc2sccc2[C@H]1C1CC1 241383259 MTSHBMUYWLEZSD-FXAWDEMLSA-N 343.492 3.635 0 50 EHAA COc1ncc(C)cc1NC(=O)N1CC[C@@H](C(F)(F)F)C1(C)C 252500512 SXBCGELMTYBNEW-LLVKDONJSA-N 331.338 3.593 0 50 EHAA CO[C@@]1(C)CCCN(C(=O)c2cccc(C)c2Br)CC1 253427843 AZAHXLYTESDYFW-INIZCTEOSA-N 340.261 3.789 0 50 EHAA CSCC[C@H](C(=O)Nc1ccc(C(F)(F)F)cn1)n1cccc1 263587989 NUEDOYBPVZIYKN-GFCCVEGCSA-N 343.374 3.835 0 50 EHAA CNCC1CCN(C(=O)/C=C(\C)c2ccccc2C(F)(F)F)CC1 269149358 MRUBCDOFWVBZOT-ACCUITESSA-N 340.389 3.567 0 50 EHAA CCc1nnc(C)cc1C(=O)Nc1cnn(-c2ccccc2)c1C(C)C 277027602 IZBFYKJPSWXFFX-UHFFFAOYSA-N 349.438 3.909 0 50 EHAA CCOC1CC(c2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 290168602 KKLOOYGNIFDXBC-UHFFFAOYSA-N 326.318 3.962 0 50 EHAA Cc1ccc(C(=O)NCC2(COc3ccccc3)CC2)n1C(F)F 299766606 DMWLIFUYLTXHDP-UHFFFAOYSA-N 334.366 3.781 0 50 EHAA COc1ccccc1[C@@H]1CN(Cc2cc[nH]n2)Cc2ccccc2O1 299787810 QSTZHMHWPSSVFV-FQEVSTJZSA-N 335.407 3.554 0 50 EHAA Cc1cc(C)cc(C2(c3noc(C(=O)N4CCC[C@H](C)C4)n3)CC2)c1 333227422 NIOKOHAETRJEAT-ZDUSSCGKSA-N 339.439 3.638 0 50 EHAA Cc1nccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)n1 416016420 VBPBUGWNRKBBHP-UXHICEINSA-N 337.467 3.902 0 50 EHAA Cc1ccc(-c2ccnn2C)cc1NC(=O)Nc1cccc2c1CCO2 439423845 OFHJCQPVKNEDEM-UHFFFAOYSA-N 348.406 3.974 0 50 EHAA O=C(CCc1cccc(F)c1F)Nc1cc(Cl)cc(C(=O)O)c1 739261478 STMKMVPHIMBPRC-UHFFFAOYSA-N 339.725 3.888 0 50 EHAA CC(C)c1ocnc1C(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 952974463 DAHWORQETVCCRX-MRXNPFEDSA-N 344.411 3.998 0 50 EHAA CC(C)N(C)C[C@H](O)CN[C@H](C)c1ccc(Cl)c2ccccc12 1459995905 KUZUMHDWJHJAFZ-HUUCEWRRSA-N 334.891 3.845 0 50 EHAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1ccccc1C(F)(F)F 1857666745 CTFUUOUKISJFHE-OWRWGESLSA-N 341.329 3.563 0 50 EHAA Cc1cc2c(cc1-c1nccn1Cc1cccc(CN(C)C)c1)OCO2 1857671301 DLOVQUQDLQFVRN-UHFFFAOYSA-N 349.434 3.697 0 50 EHAA CCc1nc(CN2C[C@H](C(C)(C)C)O[C@H](c3ccccc3)C2)no1 1875244264 PBROYXDPWBCSCQ-JKSUJKDBSA-N 329.444 3.620 0 50 EHAA COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1Br 54693 QQFJHXRLNLRJTA-NSHDSACASA-N 334.213 3.949 0 50 EHAA Cc1c(C)c2ccc(OCc3ccc(C(=O)O)o3)c(C)c2oc1=O 200931 GBLVKBRGKYZKBV-UHFFFAOYSA-N 328.320 3.588 0 50 EHAA COc1cc(C=O)cc(Br)c1OC(=O)c1ccc(C)cc1 244144 OCBXDTBOENCIOD-UHFFFAOYSA-N 349.180 3.798 0 50 EHAA CSc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 305798 JZDBDFMEORJGSU-UHFFFAOYSA-N 326.465 3.927 0 50 EHAA biogenic O=C(Nc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1 380139 YCIHYODSFXUDOL-UHFFFAOYSA-N 333.794 3.833 0 50 EHAA CCOC(=O)c1cc(C(=O)Nc2ccccc2F)n2ccccc12 390762 HENMQYUSBOLZHS-UHFFFAOYSA-N 326.327 3.507 0 50 EHAA COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 579755 JFXRTDFFLJQBIX-LLVKDONJSA-N 335.787 3.763 0 50 EHAA NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCc1ccccc1-2 1055928 PRUNCWGAVNDIEF-UHFFFAOYSA-N 348.427 3.865 0 50 EHAA COC(=O)c1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1 3559069 FPOYFBJAUAKBLP-UHFFFAOYSA-N 336.347 3.689 0 50 EHAA CCOC(=O)[C@@H](C)Oc1cc2oc(=O)c(CC)c(C)c2cc1CC 4131942 BMGLEOLMUCIHSN-GFCCVEGCSA-N 332.396 3.557 0 50 EHAA O=C(NCc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1Cl 4843339 OWVALQCYELACAJ-UHFFFAOYSA-N 348.189 3.973 0 50 EHAA CCOC(=O)C1CCN(CCCCOc2cccc(C)c2C)CC1 6701295 UWJUMWIJVZXNMB-UHFFFAOYSA-N 333.472 3.738 0 50 EHAA CNC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 8723024 BXCAGKLCJIMKQN-UHFFFAOYSA-N 344.414 3.817 0 50 EHAA CC(=O)c1cc(CN2CCC(CCC(=O)N3CCCC3)CC2)cs1 11956234 TXUXAJWGQMOXQA-UHFFFAOYSA-N 348.512 3.565 0 50 EHAA Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1F 13320301 KCMCVLQHCFRUFX-UHFFFAOYSA-N 341.430 3.920 0 50 EHAA O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2cc[nH]n2)C1 19114276 PREAHGFGYBXXKN-ZDUSSCGKSA-N 337.345 3.523 0 50 EHAA CCOc1cccc(-c2nc3c(C)nn([C@@H](C)C4CC4)c3[nH]2)c1O 19939072 QFBJWGDPXFNDKZ-NSHDSACASA-N 326.400 3.810 0 50 EHAA CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2F)cc1 20252440 QHOFYAVQEVHAEK-GOSISDBHSA-N 340.398 3.631 0 50 EHAA CC(C)(C)c1ccc(-c2n[nH]c3c2CN(C[C@H]2CCOC2)CC3)cc1 20535854 RZOZSDKEHFTDMN-OAHLLOKOSA-N 339.483 3.769 0 50 EHAA Cc1cc(CN(Cc2ccccn2)Cc2sccc2C)n(C)n1 55253553 AIFSXXFRBUKOFA-UHFFFAOYSA-N 326.469 3.696 0 50 EHAA OCCCn1cnc(-c2ccccc2)c1-c1cccn1-c1cccnc1 65457920 DBRRWVYYOPFQSL-UHFFFAOYSA-N 344.418 3.785 0 50 EHAA CCc1[nH]c2ccc(CNc3ccc(C(=O)N(C)C)cn3)cc2c1C 71479477 CCSJCXQRCUDZQJ-UHFFFAOYSA-N 336.439 3.748 0 50 EHAA O[C@@H](Cc1ccccc1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1 72477515 MIGQTEMWLGTQQF-QFIPXVFZSA-N 334.463 3.984 0 50 EHAA CCc1cc(-c2nccn2-c2cccc(-c3nc(CC)no3)c2)on1 77323229 FHPKBWLWCWZSKD-UHFFFAOYSA-N 335.367 3.702 0 50 EHAA CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl 85223771 WWVLDJAVSQZSKO-UHFFFAOYSA-N 346.239 3.709 0 50 EHAA in-vitro O=C(CCSCc1ccc(F)cc1)N1CCC[C@@H](c2ncc[nH]2)C1 95519315 ALMJQIDBINXLCO-OAHLLOKOSA-N 347.459 3.578 0 50 EHAA COc1ccc2cc([C@H](C)C(=O)NCc3c(C)n[nH]c3C)ccc2c1 120791568 UJMBQCWNDIUUNR-LBPRGKRZSA-N 337.423 3.608 0 50 EHAA CN(CCNC1CCC2(CC1)C(=O)Nc1ccccc12)c1ccccc1 125900971 BBAWKGCOLKZSAT-UHFFFAOYSA-N 349.478 3.545 0 50 EHAA c1ccc(O[C@H]2CCOC2)c(NCc2nc(-c3ccsc3)no2)c1 127374914 OJQLYSMZYUOILJ-ZDUSSCGKSA-N 343.408 3.578 0 50 EHAA COc1ncc(C)cc1NC(=O)c1csc(-c2ccc(F)cc2)n1 170648993 NBPCHIPKEYKSLM-UHFFFAOYSA-N 343.383 3.914 0 50 EHAA CCOCc1ccccc1CNC(=O)N1CCC(C(F)(F)F)CC1 174970011 WXGHSNKIXZYEHE-UHFFFAOYSA-N 344.377 3.707 0 50 EHAA Cn1ncnc1CN[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 181242681 XZSWLTDWDSWDGB-FPOVZHCZSA-N 332.451 3.766 0 50 EHAA CCCn1cc(C(=O)N[C@@H](c2cccc(C)c2)c2ccccn2)cn1 181565271 KCCSGMLTQANAQX-IBGZPJMESA-N 334.423 3.516 0 50 EHAA COc1cccc(Cl)c1CNC(=O)N[C@H](C)c1ncc(C)s1 189477166 HXMFDBDSJLKDAT-SNVBAGLBSA-N 339.848 3.674 0 50 EHAA CCOc1cccc2[nH]cc(CC(=O)N[C@@H]3CC34CCCCC4)c12 189712637 PUNVWKBQDFENSV-QGZVFWFLSA-N 326.440 3.948 0 50 EHAA COCC1=CCN(C(=O)NCc2ccc(C(F)(F)F)cc2C)CC1 190554434 RCQOOEIUYVRHJJ-UHFFFAOYSA-N 342.361 3.502 0 50 EHAA O=C(c1ccc(F)cc1)C1CCN(C(=O)CCc2ccsc2)CC1 194927564 ITYIOVPYZCTURW-UHFFFAOYSA-N 345.439 3.941 0 50 EHAA Cn1c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c(Cl)c2ccccc21 237712120 IEOVTFMDKGKKCB-LBPRGKRZSA-N 348.830 3.549 0 50 EHAA Cc1c(C(=O)N[C@H]2c3cccc(F)c3O[C@H]2C)cnn1C1CCCC1 239352061 AAXZLNPAYLSYOF-YVEFUNNKSA-N 343.402 3.698 0 50 EHAA CCN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)[C@@H]1CCCC[C@@H]1C 245405132 RTICUYDIBSQRIY-LXZKKBNFSA-N 346.496 3.917 0 50 EHAA O[C@@H](C[C@H]1CCCN1c1nccc(C(F)(F)F)n1)c1cccs1 253432914 PTOUYDXYYMOINO-MNOVXSKESA-N 343.374 3.649 0 50 EHAA Cc1cc(CNC2CCC(O)(c3ccc(C(C)C)cc3)CC2)n(C)n1 284145424 DJZOUZBVGBOJID-UHFFFAOYSA-N 341.499 3.772 0 50 EHAA CCn1c(C)cc2cc(NC(=O)N3CC[C@@H]4CC[C@H](C3)N4C)ccc21 299786129 MBTXLPFYGIBZSA-ZWKOTPCHSA-N 340.471 3.670 0 50 EHAA COc1ccc([C@H](O)[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1 328587675 FBQVDSZPKYJEFF-ROUUACIJSA-N 344.386 3.564 0 50 EHAA C[C@@H](NC(=O)NCc1ccn(C)c1)c1ccccc1C(F)(F)F 357851646 BRQLJHLZFKVRCG-LLVKDONJSA-N 325.334 3.604 0 50 EHAA O[C@H]1CCN(Cc2ccc(Oc3cnccn3)cc2)Cc2ccccc21 375241766 LXEVRKGBWSTRJU-FQEVSTJZSA-N 347.418 3.708 0 50 EHAA O=C(Cc1ccccc1O)NCCc1nc2cc(Cl)ccc2s1 408513132 ILWDHSDQKKEYJA-UHFFFAOYSA-N 346.839 3.557 0 50 EHAA Cc1ccc(F)cc1CN[C@H](c1c(C)nn(C)c1C)C(F)(F)F 408514291 DGNYGOPPJJOZJX-OAHLLOKOSA-N 329.341 3.878 0 50 EHAA C[C@H](Cc1ccncc1)NC(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 413351624 AZTOCOWNGQLBMC-XLIONFOSSA-N 349.478 3.992 0 50 EHAA Cc1ccsc1-c1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1 426697611 XNRNGBYFXUKOBN-QGZVFWFLSA-N 328.481 3.890 0 50 EHAA Cc1nccc(C2CCN(C(=O)N[C@H](C)CCCC(C)C)CC2)n1 534654289 QGNHSUJIBXWLOD-OAHLLOKOSA-N 332.492 3.889 0 50 EHAA CCOCC1(CNC(=O)c2ccc(-c3cnn(CC)c3)cc2)CCC1 534674482 UXEKLNLJINORRT-UHFFFAOYSA-N 341.455 3.507 0 50 EHAA COCc1nc(COc2ccccc2OC)n(C2CCCCC2)n1 670456742 QLCZFPYXJTUUKC-UHFFFAOYSA-N 331.416 3.517 0 50 EHAA Cc1ccc(NC2CC2)c(C(=O)NCc2c(C3CCC3)cnn2C)c1 824587818 CPBZUQFUABVMDT-UHFFFAOYSA-N 338.455 3.500 0 50 EHAA O=C(NCCCNc1cccnc1)[C@H]1CCCc2c1[nH]c1ccccc21 827755283 PIYOXYIFQCFSRL-SFHVURJKSA-N 348.450 3.601 0 50 EHAA O=C(O)C12CCC(C(=O)N[C@@H]3C[C@H]3c3cccc4ccccc34)(CC1)C2 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BUGVJBYDQQHWQE-DZGCQCFKSA-N 343.473 3.893 0 50 EHAA O=C(c1ccc2ccccn12)N1CCC(Oc2ccccc2F)CC1 2356134600 UHXZPKMAFONEDO-UHFFFAOYSA-N 338.382 3.762 0 50 EHAA COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc1 612723 XIPBNTRHHVXBBM-UHFFFAOYSA-N 347.374 3.595 0 50 EHAA COc1cc(C)ccc1S(=O)(=O)Oc1ccc2ccccc2c1 2182571 OTKSMVIKQTYMRA-UHFFFAOYSA-N 328.389 3.925 0 50 EHAA CSc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1 2876345 HSRSPFWXRJBATF-UHFFFAOYSA-N 330.428 3.510 0 50 EHAA Cc1ccccc1-c1ncc(CN2[C@H]3CC[C@@H]2C[C@@H](CO)C3)s1 2356168831 PEIIORRKHBOXKA-PHZGNYQRSA-N 328.481 3.854 0 50 EHAA CCCCc1nnc(SCC(=O)Nc2c(C)cccc2C)n1C 4834436 FKOFJANYKRHAPG-UHFFFAOYSA-N 332.473 3.505 0 50 EHAA CCc1nc([C@H](C)NC(=O)Nc2cccnc2N2CCCC2)cs1 111428184 PPFXGPKTISGSKQ-LBPRGKRZSA-N 345.472 3.583 0 50 EHAA Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCC(C)CC1 8600237 BWPJWKDNLBYLMV-UHFFFAOYSA-N 348.468 3.687 0 50 EHAA CCOc1ccc([C@H](C)Nc2ncnc3oc(C)nc23)cc1OCC 55073956 VVWNSNPDPWLSDL-NSHDSACASA-N 342.399 3.897 0 50 EHAA NC1CCN(C2CCN(c3cccc(-c4ccccc4)c3)CC2)CC1 63870068 AITUMMCRGYZWSR-UHFFFAOYSA-N 335.495 3.746 0 50 EHAA CCc1cc([C@@H]2CCCN2C(=O)Nc2cc(C)ccc2OC)on1 64985179 BAEXZTABKGFCIT-HNNXBMFYSA-N 329.400 3.923 0 50 EHAA CCOc1ccc2[nH]c(=O)c(CN3CCC[C@H]3c3ccccn3)cc2c1 67921128 CIJKQYQJIDVMMS-FQEVSTJZSA-N 349.434 3.659 0 50 EHAA Cc1cc(C)n(-c2cccc(NC(=O)c3cc(Cl)ccn3)c2)n1 120683435 QXEFKGPLNJRAKX-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA CC(C)=CC(=O)NC[C@@H]1CCN(Cc2oc3ccccc3c2C)C1 67790695 OPJXEEZFQKCEQM-INIZCTEOSA-N 326.440 3.646 0 50 EHAA COCc1ccc(NC(=O)c2cccc(Nc3ccc(C)nn3)c2)cc1 252488667 IWNASLYITPBFOQ-UHFFFAOYSA-N 348.406 3.927 0 50 EHAA CCOc1cc2c(cc1OCC)[C@H](c1cccc(OC)c1)CC(=O)N2 4488964 JYSGCKPJMXXYPF-HNNXBMFYSA-N 341.407 3.967 0 50 EHAA CC(C)Cn1ccnc1CNC(=O)N1CCC[C@@H]1c1cccs1 173458861 PUMKPXUFZBTTEH-CQSZACIVSA-N 332.473 3.647 0 50 EHAA Cc1ccccc1-c1cccc(-c2nccn2CCn2cnnc2)c1 72430925 XHMQMJLTFDMINQ-UHFFFAOYSA-N 329.407 3.817 0 50 EHAA O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H]1[C@H]1CCCO1 367439645 WAHRPOUEJWIUBB-UONOGXRCSA-N 331.309 3.628 0 50 EHAA CS(=O)(=O)c1ccc(CN2CCCC[C@@H]2c2ccc(F)cc2)cc1 72166527 MZIZHIHMQRAMCT-LJQANCHMSA-N 347.455 3.956 0 50 EHAA C[C@H](C[C@H](O)c1ccccc1)N[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 241926502 UGQFKQZCGJOCJM-SPUZQDLCSA-N 348.487 3.534 0 50 EHAA C[C@@H]1CC[C@@H](C(=O)O)CN1C(=O)CCc1ccc(Cl)c(Cl)c1 263209502 NIGHYRAISIOPNS-ZYHUDNBSSA-N 344.238 3.638 0 50 EHAA CC(=O)N[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1c1ccc(C)cc1 77486789 XRLPHLUJNAUPGG-LEWJYISDSA-N 348.446 3.845 0 50 EHAA Nc1ccccc1NCCNc1ncc(C(F)(F)F)cc1Cl 20246675 SMSDUHQTFQPUBO-UHFFFAOYSA-N 330.741 3.860 0 50 EHAA Cc1ccccc1NC(=O)c1cnn(C)c1C(=O)Nc1ccccc1C 20616282 ZNONRHLNPTTXII-UHFFFAOYSA-N 348.406 3.542 0 50 EHAA Cn1c(-c2ccc(F)cc2)cn(CC(=O)c2cccc(Cl)c2)c1=N 334157623 UZHBOARAFVNFOM-UHFFFAOYSA-N 343.789 3.648 0 50 EHAA CCCNS(=O)(=O)c1cc(C)c(Br)cc1C(C)C 231416614 WSYUBNKLKLADGQ-UHFFFAOYSA-N 334.279 3.569 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)NC[C@H]1OCCc2ccccc21 91289213 MMJJIUMUZPWKKR-OAHLLOKOSA-N 330.453 3.619 0 50 EHAA CC(C)OC(=O)N1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 95498907 ZRPOUJMFHHLQEC-CQSZACIVSA-N 336.407 3.801 0 50 EHAA COc1ccc(CN2CCC(Cn3ccnc3C)CC2)c(C)c1C 97679866 OHHJCUAEFYULCF-UHFFFAOYSA-N 327.472 3.729 0 50 EHAA Cc1cc(C)c2[nH]c(C)c(CC(=O)N3CC(c4ccccn4)C3)c2c1 92077246 VHSHLPABVFBJNV-UHFFFAOYSA-N 333.435 3.657 0 50 EHAA CC[C@H](C)[C@](C)(O)CN[C@@H](C)c1cc(Cl)c(OC)cc1OC 163860210 UQNJRCRJPUGWQI-NVGCLXPQSA-N 329.868 3.805 0 50 EHAA COc1cccc(-c2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)c1 252484864 GJRPINDGRXEHHN-SFHVURJKSA-N 326.396 3.663 0 50 EHAA CCn1nc(C)c(-c2ccc(C(=O)N3CCC(F)CC3)cc2)c1C 534648661 KWWCQGXRDFKCIS-UHFFFAOYSA-N 329.419 3.761 0 50 EHAA CC(C)(C)c1noc(-c2cc3n(n2)C[C@@H](c2ccc(F)cc2)OC3)n1 263616641 JWMDASRPJUSNTD-HNNXBMFYSA-N 342.374 3.641 0 50 EHAA COC[C@@H]1CCCN1C(=O)Nc1ccc(Oc2ccccc2)nc1 299778224 PCECIDSMYAGNKS-HNNXBMFYSA-N 327.384 3.517 0 50 EHAA CC(C)n1cccc1C(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 299797822 OVWFJDQNOOWCCE-HXUWFJFHSA-N 340.467 3.525 0 50 EHAA COc1cccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)c1C 824795531 CWDORNRCWQAKEX-UHFFFAOYSA-N 340.423 3.642 0 50 EHAA CC(=O)N(C)c1ccc(CNc2nc(Cl)nc3sccc23)cc1 1875290183 DFQVUGHXAUDLON-UHFFFAOYSA-N 346.843 3.940 0 50 EHAA CC1CC(C(=O)N[C@H]2[C@@H]3CN([C@@H](C)c4cccc5ccccc45)C[C@@H]32)C1 1875335091 RXZXDUUCDUWBHW-IPBSEXQTSA-N 348.490 3.993 0 50 EHAA COc1cc(CCC(=O)N(C)[C@H](c2ccccn2)C2CC2)ccc1C 952966745 GDQKZXLEZYXIDD-NRFANRHFSA-N 338.451 3.941 0 50 EHAA Cc1cc(C(=O)N2Cc3ccccc3[C@H](O)C2)c2ccc(C)c(C)c2n1 952989989 TYAMGZMHQOIWQI-HXUWFJFHSA-N 346.430 3.849 0 50 EHAA CN(CCN(C)C1CCCC1)C(=O)Cc1ccccc1C(F)(F)F 952973262 GLSDCWCNEVWWAF-UHFFFAOYSA-N 342.405 3.581 0 50 EHAA CC[C@@H](c1cccnc1)N(C)S(=O)(=O)Cc1cccc(Cl)c1 952970419 INACUDPPMJUMPC-INIZCTEOSA-N 338.860 3.648 0 50 EHAA C[C@H]1CCO[C@@H]([C@@H](N2CCSC3(CCCCC3)C2)C(C)(C)O)C1 170607460 SSOPRBFADJMCSV-GVDBMIGSSA-N 341.561 3.693 0 50 EHAA CC[C@H](O)CN(Cc1ccccc1)C(=O)C1CCC(F)(F)CC1 305660072 GARJSVSNDJUVBQ-INIZCTEOSA-N 325.399 3.612 0 50 EHAA O=C(c1ccoc1Cl)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 192354523 FLKVTPKXZDDCIC-VIFPVBQESA-N 347.724 3.626 0 50 EHAA CC(C)c1cnc(NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)s1 192389446 KSPYVUBBUPAJOT-HNNXBMFYSA-N 345.468 3.742 0 50 EHAA CCc1nccn1C[C@@H](C)N1CCC(c2ccccc2OC)CC1 1506416909 GVMWTZZGLHDSRJ-MRXNPFEDSA-N 327.472 3.722 0 50 EHAA COc1ccc2cc(CN(C)[C@H]3C[C@H]4C[C@@H](O)C[C@H]4C3)ccc2c1 1704352896 MCDGMPVZSLZLDJ-FGYAAKKASA-N 325.452 3.830 0 50 EHAA c1ccc(CN2CCC3(CC2)OCCc2c3[nH]c3ccccc23)nc1 1704335223 BCQMPPXIUAVUJN-UHFFFAOYSA-N 333.435 3.627 0 50 EHAA Cc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)CC(C)(C)C)O3)nc1 11882484 FNVDKXINTZNMDJ-QGZVFWFLSA-N 338.451 3.913 0 50 EHAA CCCN1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 15078028 LBTXHJRBGZRJSP-QGZVFWFLSA-N 325.412 3.687 0 50 EHAA CC[C@@H](C)Cc1nc(-c2cccc(N3CCCC3=O)c2)n(CC)n1 1857677364 YKIQVKJZEQPUQX-CQSZACIVSA-N 326.444 3.680 0 50 EHAA C[C@]1(O)CCN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1Cc1ccccc1 211322898 ZKJKQGZTLCKXKW-GCJKJVERSA-N 348.446 3.624 0 50 EHAA O=C(NCCCCCO)OCC1c2ccccc2-c2ccccc21 2565303 YNOWFUNORLDFTH-UHFFFAOYSA-N 325.408 3.688 0 50 EHAA in-vitro C[C@@H](CC(=O)N1CC[C@@](C)(C(=O)O)C1)c1ccccc1C(F)(F)F 237338928 ZZZMIGYLJPDDQB-MEDUHNTESA-N 343.345 3.522 0 50 EHAA Cc1c([C@H](NCc2cn(C)nc2C(=O)O)C(C)C)oc2ccccc12 902247881 CBNPNMVDAPADQO-MRXNPFEDSA-N 341.411 3.660 0 50 EHAA CC(C)(c1ccncc1)c1noc(-c2ccc(P(C)(C)=O)cc2)n1 904150159 MJZHNLBTXUJDBJ-UHFFFAOYSA-N 341.351 3.706 0 50 EHAA Cc1cccnc1[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)C(C)(C)C 908119345 KBYVRAALWICMIL-SFHVURJKSA-N 340.423 3.534 0 50 EHAA COc1ccc(Br)c(C(=O)NC[C@H]2CCCC2(F)F)c1 391090348 SEEKKVJSUAQICY-SECBINFHSA-N 348.187 3.623 0 50 EHAA CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2)cc1 53288 VXKIFJJSRABCGE-KRWDZBQOSA-N 349.477 3.522 0 50 EHAA Cc1c(C(=O)N2C[C@@H]3CCCCC[C@@H]32)cnn1-c1ccc(F)cc1F 2325747318 JPQNXOMRWUCLBS-GUYCJALGSA-N 345.393 3.864 0 50 EHAA COc1ccncc1CC(=O)N1CCC[C@@H]1c1cc(Cl)ccc1F 2325784495 NCERIISMFLAKPB-MRXNPFEDSA-N 348.805 3.789 0 50 EHAA O=S(=O)(c1cc(Cl)ccc1Cl)N1CCc2ccccc2C1 101817 ABOFGSDIPOZOTD-UHFFFAOYSA-N 342.247 3.740 0 50 EHAA CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12 151914 IIOKVIZEZDUFDC-UHFFFAOYSA-N 325.364 3.830 0 50 EHAA COc1ccccc1-c1nc2ccc(Br)cc2c(=O)o1 203421 LUIDMZBUNJIUKM-UHFFFAOYSA-N 332.153 3.626 0 50 EHAA CC(=O)c1cccc(NC(=O)c2ccc(OC3CSC3)cc2)c1 211916 KSDFVYYYLMFRCB-UHFFFAOYSA-N 327.405 3.636 0 50 EHAA CCOc1cc(C(=O)Nc2ccncc2)cc(OCC)c1OCC 282859 GXIMCHSTAALXFQ-UHFFFAOYSA-N 330.384 3.530 0 50 EHAA O=C(NCc1cccnc1)Nc1ccc(Br)cc1Cl 609989 HMGQNDCJFRJQPV-UHFFFAOYSA-N 340.608 3.819 0 50 EHAA CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(C(=O)O)c2)cc1 1164986 OJEGCQLBJSIRGZ-CYBMUJFWSA-N 327.380 3.916 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1Cl 2812051 OQUYVSPZHUNJPR-GFCCVEGCSA-N 346.789 3.779 0 50 EHAA CCc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(C)cc3)C2=O)cc1 3953537 VLGFVTXWQIAKAI-UHFFFAOYSA-N 340.810 3.993 0 50 EHAA Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1C 4841921 UGUOQLNVYOWCPM-IBGZPJMESA-N 343.810 3.678 0 50 EHAA CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C)c1 4856694 YHGSZNXBTDPTMI-SFHVURJKSA-N 349.386 3.757 0 50 EHAA CCCCn1nc(NC(=O)C(C)C)c2cc3cc(OC)ccc3nc21 5557033 MTKVVGMWEHVVJD-UHFFFAOYSA-N 340.427 3.988 0 50 EHAA Clc1ccc(Cn2ncc3c(N4CCCCCC4)ncnc32)cc1 6759296 MUTUGZFNWKIGOQ-UHFFFAOYSA-N 341.846 3.908 0 50 EHAA Cc1ccc(-c2noc(CN(C)C(=O)c3cc(C)cc(C)c3)n2)cc1 7759914 JNZILQUWAIKGAG-UHFFFAOYSA-N 335.407 3.934 0 50 EHAA COCc1ccc(C(=O)Nc2cc(C)nc3c(OC)cccc23)o1 12296355 UFNKLTJYWWVWQB-UHFFFAOYSA-N 326.352 3.544 0 50 EHAA biogenic O=C(CC[C@@H]1CCCN(Cc2ccccn2)C1)Nc1ccccc1F 12308999 HJFOOEOTBICLOW-INIZCTEOSA-N 341.430 3.852 0 50 EHAA CC(C)Cc1cc(CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)n[nH]1 12317414 PYMAMWUTSOSXMY-HNNXBMFYSA-N 348.441 3.963 0 50 EHAA O=C(NC1CCCCCC1)C1CCN(C(=O)c2cccc(F)c2)CC1 12863841 DEIXMMUQVNWTRN-UHFFFAOYSA-N 346.446 3.517 0 50 EHAA CCc1c(C)sc(NC(=S)Nc2cccnc2)c1C(=O)OC 13519213 HLKWJRAMINOCQH-UHFFFAOYSA-N 335.454 3.609 0 50 EHAA CCn1cc(CN2CCC[C@@H](CCc3cccc(OC)c3)C2)cn1 14960308 IOSCWZWKKZLEOS-SFHVURJKSA-N 327.472 3.756 0 50 EHAA O=C(Nc1csc(NC(=O)c2cccs2)n1)c1cccs1 17070652 XVHADDHZDXLZRG-UHFFFAOYSA-N 335.435 3.771 0 50 EHAA Cc1ncc(C)c(-c2cccc(-c3ccn(CCN4CCCC4)n3)c2)n1 19228566 BOCLSOYVMZOSMI-UHFFFAOYSA-N 347.466 3.720 0 50 EHAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1ccccc1-n1cccn1 55211758 JEBWAJFGBUCQPG-CQSZACIVSA-N 335.411 3.601 0 50 EHAA Cc1ccc(CN(C(=O)CCc2cc(O)no2)C2CCCC2)s1 55342961 HXHUURLJQIWMSP-UHFFFAOYSA-N 334.441 3.654 0 50 EHAA COCCOc1ccc2c(c1)NC(=O)C[C@H]2c1ccc(F)cc1Cl 65492278 OQLFNQORMGAYFT-HNNXBMFYSA-N 349.789 3.978 0 50 EHAA C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(-n2cnnc2)cc1 67818351 XCKXWWQTSZFNOA-AWEZNQCLSA-N 345.406 3.582 0 50 EHAA COc1ccc([C@H]2c3nc[nH]c3CCN2CC(C)(C)C)c(F)c1F 72420535 WLUXNGYAGNHTIP-KRWDZBQOSA-N 335.398 3.690 0 50 EHAA Cc1nc2ccccc2nc1CN1CCC([C@@H](C)N2CCCC2)CC1 72454105 MEVDMBXCXRFPGS-QGZVFWFLSA-N 338.499 3.635 0 50 EHAA Cc1ccc(OC[C@@H]2CCCN(C(=O)CCc3ccncc3)C2)cc1 77453629 CHSTUAHYUPGSRK-LJQANCHMSA-N 338.451 3.640 0 50 EHAA Cn1cccc1-c1cc(C(=O)N2CCCCC[C@H]2c2ccco2)[nH]n1 82098179 CZISGAIBPXODPA-KRWDZBQOSA-N 338.411 3.766 0 50 EHAA COC[C@H](c1ccccn1)N(C)C(=O)c1oc2cc(C)ccc2c1C 91585851 MCPQZLNUXSLNOP-QGZVFWFLSA-N 338.407 3.904 0 50 EHAA Cc1c(F)cccc1CN1CCC2(CCC(=O)N(C3CC3)C2)CC1 91876944 XGPJRQWTTKERRV-UHFFFAOYSA-N 330.447 3.501 0 50 EHAA Cc1cc([C@@H](C)NC(=O)c2ccccc2-c2nnc(C)o2)c(C)o1 124991653 OIFVKSOGAMPYJN-LLVKDONJSA-N 325.368 3.746 0 50 EHAA COc1ccccc1[C@H](NC(=O)Cc1ccsc1)c1ccccn1 129250065 SWVASXMLYFOYQZ-IBGZPJMESA-N 338.432 3.600 0 50 EHAA CC(=O)Nc1cc(C(=O)N[C@@H]2CC(C)(C)c3ccccc32)ccc1F 158363265 AWZYUQALJWCROJ-GOSISDBHSA-N 340.398 3.937 0 50 EHAA CC[C@@]1(CO)CCCN1C(=O)c1cc(-c2ccccn2)ccc1Cl 189231952 NOTHWQOQTVZLGK-IBGZPJMESA-N 344.842 3.779 0 50 EHAA O=C(Nc1ccc(C2CCC2)cc1)N(CCO)C1CCSCC1 225483654 GYLJBUPUFHPGGF-UHFFFAOYSA-N 334.485 3.676 0 50 EHAA CN(C(=O)CCn1cncn1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 225610028 STVKSDBDIRGVTJ-GOSISDBHSA-N 346.862 3.712 0 50 EHAA C[C@H](C(=O)OCc1ccc(N2CCCCC2)c(F)c1)C1CCOCC1 225855296 ZVIOGSTXKCSXTL-HNNXBMFYSA-N 349.446 3.922 0 50 EHAA C[C@H](NC(=O)N(C)[C@@H](C)c1nc2ccccc2s1)[C@H]1CCCO1 242302365 YRWMGMCRTKHRDO-SGMGOOAPSA-N 333.457 3.566 0 50 EHAA CCc1nnc([C@H](C)N(CC)Cc2ccccc2Br)o1 252494316 NRTDIAFNMUHFSF-NSHDSACASA-N 338.249 3.978 0 50 EHAA CC(C)C[C@@H](C)OC(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 253420398 WVUAAFZKPJOMPX-KGLIPLIRSA-N 341.473 3.654 0 50 EHAA CCCn1ccc2ccc(NC(=O)N3[C@H]4CC[C@H]3CC(=O)C4)cc21 253424554 HTXRCKAGPQHUEQ-HOTGVXAUSA-N 325.412 3.779 0 50 EHAA COc1cccc([C@H]2C[C@H](N(C)Cc3cccc(C(=O)O)c3)C2)c1 263433180 SUQLESIROVRBTG-IYARVYRRSA-N 325.408 3.771 0 50 EHAA CO[C@@H]1CCC[C@H](CC(=O)N2CCC[C@H]2CC(=O)c2cccs2)C1 280080580 YAFJBNAJRIIFIM-HRCADAONSA-N 349.496 3.907 0 50 EHAA CCOc1cccc2[nH]cc(CC(=O)N3CC[C@@]4(C)[C@@H](C3)C4(F)F)c12 292889517 QHEOXKJLKHNQFG-QAPCUYQASA-N 348.393 3.613 0 50 EHAA Cc1cc(NC(=O)NCCC(=O)NC2CCCCC2)ccc1Cl 299765498 HLTZYOWPQUOPGI-UHFFFAOYSA-N 337.851 3.609 0 50 EHAA Cn1c(C(=O)NCc2ccc3nc[nH]c3c2)cc2ccc(Cl)cc21 426684341 BBYXUXJWKYDZAJ-UHFFFAOYSA-N 338.798 3.638 0 50 EHAA CC(C)(C)C(=O)Nc1ccc(C(=O)NCc2ccc(Cl)cc2)cn1 448554312 GOOXPDQGEWUDST-UHFFFAOYSA-N 345.830 3.650 0 50 EHAA Cn1ncc(NC(=O)N[C@H]2CCCC23CCCCC3)c1C(F)F 666457497 IOQHGKYHTVMZCY-LBPRGKRZSA-N 326.391 3.982 0 50 EHAA C[C@]1(CCNC(=O)N2CCC[C@H]([C@@H]3CCCCO3)C2)C[C@]1(F)Cl 852397116 VFCVNIWZISDZJL-NXNVCVFFSA-N 346.874 3.682 0 50 EHAA CCc1sc([C@H](C)NC(=O)N2CCCc3c(cnn3C)C2)cc1C 886093345 BWRKUFJKNNIIHN-ZDUSSCGKSA-N 346.500 3.571 0 50 EHAA CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C[C@H]1C[C@@]12CCOC2 886280423 DVPNDCJXOMGMCR-HHXXYDBFSA-N 335.875 3.919 0 50 EHAA Cc1[nH]ccc1C(=O)N1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1529126973 VMSSYRGRGKBNLK-ZWKOTPCHSA-N 326.440 3.952 0 50 EHAA Fc1cccc(CN2CCCC[C@H]2c2nc(-c3ccon3)no2)c1 1776006606 RRLFOBZGJVZXII-HNNXBMFYSA-N 328.347 3.591 0 50 EHAA O=C(O)[C@@H]1CN(Cc2cnc3ccsc3c2)C[C@H]1c1ccccc1 1875270605 GKBILQIOOMZAIA-JKSUJKDBSA-N 338.432 3.597 0 50 EHAA Cc1nc([C@H]2CCCN(c3nnc(-c4ccc(F)cc4)o3)C2)[nH]c1C 2325780540 RZLZWSDBSASMPD-AWEZNQCLSA-N 341.390 3.600 0 50 EHAA CCc1ccc(OCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1 129480 IMVUKUKEASFRJV-UHFFFAOYSA-N 338.359 3.648 0 50 EHAA biogenic COc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)no2)cc1 423643 YIMLKHSABKNGNU-UHFFFAOYSA-N 334.375 3.549 0 50 EHAA CC(C)N(C(=O)c1cccc(I)c1)C(C)C 461950 YADKXQWHMDMFER-UHFFFAOYSA-N 331.197 3.550 0 50 EHAA COc1ccccc1-c1nc(-c2cc3ccccc3nc2OC)no1 1076367 YDOWRSBCPTUIQX-UHFFFAOYSA-N 333.347 3.969 0 50 EHAA CCCNC(=O)Cc1c(OC)ccc2cc(Br)ccc12 2172747 QWNWUWRZISLNJX-UHFFFAOYSA-N 336.229 3.680 0 50 EHAA CCCCc1cc(=O)oc2cc(OCC(=O)OCC)c(Cl)cc12 2479771 GRKADONOSFLJGO-UHFFFAOYSA-N 338.787 3.731 0 50 EHAA C[C@H]1CCc2sc(C(=O)Nc3ccc4c(c3)OCCO4)cc2C1 6085589 UOJHIWHHFFIROD-NSHDSACASA-N 329.421 3.896 0 50 EHAA C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)NCc1ccco1 12000755 WAXVRFRHCGGTCH-ZDUSSCGKSA-N 339.420 3.534 0 50 EHAA O=C(Nc1nc2c(s1)CCCC2)c1c(F)c(F)c(F)c(F)c1F 12343587 STCXXCWOFBLBLE-UHFFFAOYSA-N 348.296 3.970 0 50 EHAA CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccs1)C3 12653224 NXBAKWDOBOIKSE-JTQLQIEISA-N 344.465 3.601 0 50 EHAA O=C(Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 19597535 RWZZIDHXTFGNLE-UHFFFAOYSA-N 329.831 3.690 0 50 EHAA CC[C@@H](CO)N(Cc1cc(C(C)(C)C)[nH]n1)Cc1ccccc1C 55089122 CBOWWXYIRHBPRJ-SFHVURJKSA-N 329.488 3.789 0 50 EHAA Cc1ccc(CN(CCCO)C(=O)c2sccc2Cl)s1 55154308 GQXLJTVBVZSGKJ-UHFFFAOYSA-N 329.874 3.796 0 50 EHAA Cc1nccc(N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)n1 67785699 RVDILCSUPUAARW-OAHLLOKOSA-N 337.402 3.698 0 50 EHAA C[C@@H](C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1)N1CCCC1 72418120 HPWFWEDJVORLJD-ZDUSSCGKSA-N 338.854 3.816 0 50 EHAA NC(=O)c1cccc(-n2ccnc2-c2cc(Cl)ccc2Cl)c1 72436026 XNKIWKOFLQSDGQ-UHFFFAOYSA-N 332.190 3.945 0 50 EHAA CCN(CC)C(=O)N1CCC(c2nccn2Cc2ccccc2)CC1 82157246 VIZGTXBJSQMVJC-UHFFFAOYSA-N 340.471 3.573 0 50 EHAA c1cc(CN2CCCCC2)cc(-c2noc([C@H]3C[C@H]4CC[C@H]3O4)n2)c1 110593066 RCFGNZPVCJDRMX-FGTMMUONSA-N 339.439 3.757 0 50 EHAA COC(=O)Oc1cc([N+](=O)[O-])c(C(C)(C)C)cc1Br 113694483 WSWTWOUVGRZWEN-UHFFFAOYSA-N 332.150 3.800 0 50 EHAA Cc1nnc([C@H](C)OC(=O)c2cc(Cl)cc(C(F)(F)F)c2)o1 123194238 BTJDNAAGYMHKCA-LURJTMIESA-N 334.681 3.968 0 50 EHAA O=C(c1csnn1)N1CCc2ccccc2[C@H]1Cc1ccccc1 132253584 DEQKIZHICRVCDS-GOSISDBHSA-N 335.432 3.520 0 50 EHAA CCn1c(SCc2nccn2C)nnc1-c1cccc(Cl)c1 132998876 DFTBDAKYICUQOU-UHFFFAOYSA-N 333.848 3.644 0 50 EHAA O=C(CCCCN1CCOCC1)OCc1ccc(Cl)cc1Cl 170619476 SBSCQKXCSJSIIQ-UHFFFAOYSA-N 346.254 3.539 0 50 EHAA CC[C@@]1(CO)CCCN(C(=O)c2c(C)[nH]c3ccc(Cl)cc23)C1 187077850 CWENLNQMCKZMTC-GOSISDBHSA-N 334.847 3.754 0 50 EHAA O=C(Nc1nccs1)c1ccc(NC(=O)c2ccoc2Cl)cc1 192271702 JHKSYCAVJQTWJF-UHFFFAOYSA-N 347.783 3.894 0 50 EHAA COc1c(Cl)cc(Cl)cc1CN(Cc1cnn(C)c1)C1CC1 216333681 OPBSROQGKJSAST-UHFFFAOYSA-N 340.254 3.900 0 50 EHAA CCc1onc(C)c1C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 253396400 BWJHIDIMHLJHMN-UHFFFAOYSA-N 346.280 3.878 0 50 EHAA COc1cccc([C@@H]2CN(C(=O)Nc3c(C)cccc3F)CCO2)c1 274093119 IUAXNUVCPOYKKT-KRWDZBQOSA-N 344.386 3.748 0 50 EHAA CC1(C)CN(C(=O)Nc2ccc(C(F)(F)F)nc2)[C@H]1[C@@H]1CCCO1 290064799 BWUPJWDJKAXCMM-AAEUAGOBSA-N 343.349 3.522 0 50 EHAA O=C(NC[C@H]1Cc2cccc(-c3ccccn3)c2O1)C1=CCCCC1 299754902 BTVPNCXJBDFJKC-QGZVFWFLSA-N 334.419 3.669 0 50 EHAA Cc1cc(-c2cccc(C(=O)NC[C@H]3CCCOC3)c2)ccc1F 299798759 SDYHURYASHRDIH-OAHLLOKOSA-N 327.399 3.958 0 50 EHAA C[C@H]1C[C@H](c2cccs2)CN1CC(=O)N(C)Cc1cccs1 369653729 AXZIGDBLADZHPE-KBPBESRZSA-N 334.510 3.646 0 50 EHAA COc1ccccc1[C@H](N[C@@H]1CCc2nccn2C1)C1CCCC1 375841208 NIEHXZVUYQACKT-OXQOHEQNSA-N 325.456 3.728 0 50 EHAA c1ccc([C@@H](Nc2ncnc3c2oc2ccccc23)c2nc[nH]n2)cc1 376927536 QHSZKEMPBSNTMB-OAHLLOKOSA-N 342.362 3.696 0 50 EHAA Cc1c(NC(=O)N2CCC(OC3CCC3)CC2)cnn1CCC(C)C 416953796 VPWGXTBGLBEAKR-UHFFFAOYSA-N 348.491 3.803 0 50 EHAA COC(=O)c1ccc(COc2ccc(-c3c(C)noc3C)cc2)o1 432327065 RJTMEDKIUDMRDP-UHFFFAOYSA-N 327.336 3.917 0 50 EHAA CCC1(O)CCN(C(=O)c2ccc(OC(C)C)cc2Cl)CC1 457625765 SVXHXBHRHDYHLQ-UHFFFAOYSA-N 325.836 3.504 0 50 EHAA CC(=O)N(C)c1ccc(C(=O)NC2(c3cccc(C)c3)CCC2)cc1 648536184 VVVFYPCSLRVMKF-UHFFFAOYSA-N 336.435 3.787 0 50 EHAA Cc1nc(N)c2c(C)c(C(=O)N3C[C@@H](C)CCC[C@H]3C)sc2n1 679182026 ISOOSOYRHOQCQD-VHSXEESVSA-N 332.473 3.541 0 50 EHAA Cc1ncn(CCNC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1C 828061721 RSLYQXONBVWRPN-UHFFFAOYSA-N 346.434 3.893 0 50 EHAA O=C(O)C[C@@H]1CN(C(=O)C2CCc3ccccc3CC2)c2ccccc21 864228903 SBVXSCNZSITITN-GOSISDBHSA-N 349.430 3.787 0 50 EHAA COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccc1F 1260777328 HPPXQYOMCSIENW-UHFFFAOYSA-N 329.780 3.597 0 50 EHAA COCC[C@@H]1CCN(C(=O)c2occ3c2CCOC3)c2ccccc21 1337891823 JGDBWBJMKXPFKL-AWEZNQCLSA-N 341.407 3.523 0 50 EHAA C[C@]1(O)CCOC2(CCN(Cc3c(F)ccc(Cl)c3F)CC2)C1 1704305032 OTASEJUFWKTTPM-INIZCTEOSA-N 345.817 3.514 0 50 EHAA O=C([C@@H]1CCCC[C@H]1c1cccnc1)N1CCC[C@@]2(CCCO2)CC1 1875299587 PKRNQYUHWUXUJG-QKNQBKEWSA-N 342.483 3.917 0 50 EHAA O=C(C[C@H](Cc1ccccc1)C(=O)O)Nc1cnc2ccccc2c1 1875360699 GORKZWBHMNYAOO-INIZCTEOSA-N 334.375 3.507 0 50 EHAA Cc1nc(-c2noc([C@]3(C)CCOc4ccccc43)n2)ncc1Cl 2325777447 BZWYCGWVSPLASB-QGZVFWFLSA-N 342.786 3.577 0 50 EHAA COc1c(CN2CC[C@H](c3cnccc3C)C2)cnn1-c1ccccc1 2325788644 UNXLPQUPABBTNH-KRWDZBQOSA-N 348.450 3.574 0 50 EHAA C[C@H](NC(=O)c1nnc2c(F)cccc2c1O)[C@H](C)C1CCCCC1 2325843103 UMRLNSNJQLFROY-RYUDHWBXSA-N 345.418 3.809 0 50 EHAA O=C1N(C2CC2)CCC[C@]12CCCN2Cc1ccc(Cl)cc1F 2356165032 PKWQAAIDLXPZMN-GOSISDBHSA-N 336.838 3.599 0 50 EHAA CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(F)cc2)NC(=O)N1 178863 YFZGOQANDDAQAM-QGZVFWFLSA-N 346.402 3.577 0 50 EHAA CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc(C)c1C 350019 SDFVGYCCJMUIDZ-LBPRGKRZSA-N 347.436 3.948 0 50 EHAA Cc1cc(NC(=O)[C@@H]2COc3ccccc3O2)ccc1Br 454198 OSDBOSPIWLGYSL-HNNXBMFYSA-N 348.196 3.536 0 50 EHAA Cc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)n2)cc1 996316 XSFUUEIBDYMQJY-ZIAGYGMSSA-N 342.420 3.724 0 50 EHAA Cc1ccc(OCCNC2CCCC2)c(I)c1 2845417 FENJWWNQHIBNSY-UHFFFAOYSA-N 345.224 3.511 0 50 EHAA Cc1ccc(NC(=O)CN2CCCCCC2)c(Br)c1 4258222 OYAFGFKQIQVEQH-UHFFFAOYSA-N 325.250 3.572 0 50 EHAA C[C@@H]1CCc2cc(F)ccc2N1C(=O)C(=O)c1c[nH]c2ccccc12 4772179 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CCOc1ccc(-c2ccnc(NC3CCCC3)n2)cc1C(=O)O 77472037 BGMHWJYEYRSIKP-UHFFFAOYSA-N 327.384 3.595 0 50 EHAA CCCc1ccc2oc(C(=O)NC[C@@H](O)c3cccnc3)c(C)c2c1 77536236 GZXFDWQGHFVRGV-QGZVFWFLSA-N 338.407 3.552 0 50 EHAA O=C(CCCc1cccs1)N1CCC[C@@H](OCc2cccnc2)C1 82121378 WALBHWLMPWUYJH-QGZVFWFLSA-N 344.480 3.674 0 50 EHAA CCN1CC2(CCC1=O)CCN(Cc1cc(F)ccc1Cl)CC2 91391515 HXWRSMDGLKOOOH-UHFFFAOYSA-N 338.854 3.704 0 50 EHAA CCCN1CCC(CC(=O)N2CCCC[C@@H]2c2ccccn2)CC1 92001815 SEZFNOLEGJZMRL-LJQANCHMSA-N 329.488 3.647 0 50 EHAA CC(C)(C)c1nnc(NCCc2csc(-c3ccncc3)n2)o1 95379309 HMFNVFUGPVTXJS-UHFFFAOYSA-N 329.429 3.540 0 50 EHAA CCCN(C[C@@H]1CCCCO1)c1cc(C)nc(-c2ccncc2)n1 112966522 NGQSIWIVAIDJRH-KRWDZBQOSA-N 326.444 3.633 0 50 EHAA CC(C)(Cc1ccccc1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 117601765 BVMJSLMZWQWKCJ-UHFFFAOYSA-N 330.815 3.646 0 50 EHAA Cc1ccccc1[C@H]1C[C@H]1C(=O)NCc1ncc(-c2ccccc2)[nH]1 129234691 UYVKHYHCHDRXGX-QZTJIDSGSA-N 331.419 3.805 0 50 EHAA CC(=O)Nc1cccc(NCc2nnc(-c3ccccc3C)o2)c1C 133080348 MUBZQJSETISEMM-UHFFFAOYSA-N 336.395 3.924 0 50 EHAA Cc1cc(=O)c(C(=O)Nc2ccccc2N(C)Cc2ccccc2)c[nH]1 169998128 QZZSBTMYGZDCSG-UHFFFAOYSA-N 347.418 3.572 0 50 EHAA CCc1cnc(CCNC(=O)Nc2ccc3sncc3c2)s1 170609536 XBRKPQGSFPHLQS-UHFFFAOYSA-N 332.454 3.679 0 50 EHAA CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1nccc2ccccc12 170631051 AAILTMYXBARESS-YJBOKZPZSA-N 326.440 3.806 0 50 EHAA O=C(Nc1ccsc1Cl)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 189493594 OPJHMABDNJHGIV-ZCFIWIBFSA-N 349.765 3.887 0 50 EHAA Cc1cc(N[C@@H]2CCOC[C@H]2OCc2ccccn2)c2ccccc2n1 223460924 NQAFIWZEGAEZHQ-TZIWHRDSSA-N 349.434 3.724 0 50 EHAA Cc1ccc(C)c(SCc2noc([C@@H]3CC(=O)N(C(C)C)C3)n2)c1 225588667 SYMJMPNJTFBBRS-CQSZACIVSA-N 345.468 3.703 0 50 EHAA Cc1cc2oc(=O)cc(CN(C)[C@@H]3CCN(C)[C@@H](C)C3)c2cc1Cl 229820750 OVMFTOXSPVHTNF-DZGCQCFKSA-N 348.874 3.669 0 50 EHAA O=C(O)CC[C@@H]1CCCN(C(=O)C[C@H]2CCCc3ccccc32)C1 237959134 CBKLKLLLLIEKNL-DOTOQJQBSA-N 329.440 3.600 0 50 EHAA Cc1ccc2nc(Cl)c(CN3C(=O)c4ccccc4C3=O)cc2c1 245197921 WDHDNFIHOVDBAU-UHFFFAOYSA-N 336.778 3.993 0 50 EHAA COc1cc(CN2CC[C@](C)(O)[C@H](CC(C)C)C2)cc(Cl)c1O 248272174 QJURKOGWJFHRGB-KDOFPFPSSA-N 341.879 3.673 0 50 EHAA CC[C@@](CNC(=O)c1ccc(Cl)s1)(C(=O)O)c1ccccc1 263139848 ZRFRFPFNFMIMQF-INIZCTEOSA-N 337.828 3.564 0 50 EHAA COc1cccc(CN2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 286017985 AQOBPIRPYQGEFB-IAGOWNOFSA-N 343.427 3.657 0 50 EHAA CCN(Cc1c[nH]c2ccccc12)C(=O)c1snnc1C1CC1 328593733 CGQYQPWTGQINDO-UHFFFAOYSA-N 326.425 3.559 0 50 EHAA Cc1ncc(C(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)[nH]1 331513863 JJHAWRYJGKPJPR-KBPBESRZSA-N 337.345 3.803 0 50 EHAA O=C(NCCc1cc2ccccc2o1)c1cccc(Cn2ccnc2)c1 343508460 SKOGVFGCAKYBNW-UHFFFAOYSA-N 345.402 3.650 0 50 EHAA Cc1nccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)n1 416016421 VBPBUGWNRKBBHP-VQTJNVASSA-N 337.467 3.902 0 50 EHAA O=C([C@@H](O)c1cccc(C(F)(F)F)c1)N1CCCc2ccccc2C1 796234240 HKYQIACWNLDWDK-KRWDZBQOSA-N 349.352 3.714 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)Cc2cc(C)ccc2-n2cccn2)c1 823649000 PXAZMQFBBMSZBS-GOSISDBHSA-N 334.467 3.947 0 50 EHAA Nc1n[nH]c(C2CCN(Cc3ccc(C4CCCCC4)s3)CC2)n1 827593177 ZXKXAXMGAVQQPI-UHFFFAOYSA-N 345.516 3.876 0 50 EHAA COc1cccc(CN2Cc3ccc(C(=O)O)cc3C2)c1OC(F)F 833735574 OXKBIFIHQPPFOE-UHFFFAOYSA-N 349.333 3.511 0 50 EHAA Cc1cccc(CN[C@H](C)c2ccc(N3CCNC3=O)cc2)c1F 842739708 CAVBWWNFQCAKBH-CQSZACIVSA-N 327.403 3.515 0 50 EHAA Cc1cc(C)n(CCCC(=O)N2CCCC[C@@H]2c2ccc(C)o2)n1 933451380 YLTBHIJNXFEPGN-QGZVFWFLSA-N 329.444 3.935 0 50 EHAA CCCn1cc(C(=O)N(C)Cc2ccccc2OCC(C)C)c(C)n1 952975194 OKDWOXXMXQJTRP-UHFFFAOYSA-N 343.471 3.909 0 50 EHAA COCCN1CCC[C@@H](CNc2cc(C)c3cc(Cl)ccc3n2)C1 1506404315 SXWIDZWSTMURFQ-HNNXBMFYSA-N 347.890 3.967 0 50 EHAA COc1cc(OC)nc(N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)n1 1529198946 QNEHWEZWVGPOMQ-CYBMUJFWSA-N 329.400 3.517 0 50 EHAA c1ccc2c(-c3noc(-c4csc(-c5ccncc5)n4)n3)n[nH]c2c1 1875260372 CEIANBFAOGUTBV-UHFFFAOYSA-N 346.375 3.798 0 50 EHAA Cc1nc(CSC[C@@H]2COc3ccc(Br)cc32)no1 1875282128 OHYMKZGADBDLTP-VIFPVBQESA-N 341.230 3.550 0 50 EHAA COc1cccc([C@@H](CF)NC(=O)c2ccc3ncsc3c2)c1 1875325075 QFXHYFANNAHLOI-OAHLLOKOSA-N 330.384 3.746 0 50 EHAA CCCN(C(C)C)S(=O)(=O)c1c(F)cc(C(F)(F)F)cc1F 1875361190 TYCXUMIGDRRXMG-UHFFFAOYSA-N 345.333 3.793 0 50 EHAA CCOc1cc(CCC(C)=O)ccc1OC(=O)CCc1ccncc1 2325774748 PTCLFDXPUBHGPU-UHFFFAOYSA-N 341.407 3.540 0 50 EHAA CCN(C(=O)c1sc([C@H](C)N)nc1C)c1ccc2[nH]ccc2c1 2325795801 ZXOGEPZJASOSIX-JTQLQIEISA-N 328.441 3.619 0 50 EHAA Cn1cc(CNCc2ccc(C(F)(F)F)cn2)c(-c2ccccc2)n1 2325859321 VHMHCGCYURXOOG-UHFFFAOYSA-N 346.356 3.791 0 50 EHAA CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(C)cc2)NC(=O)N1 71321 RAVMBQFYZVIZGP-GOSISDBHSA-N 342.439 3.746 0 50 EHAA CCCn1c([C@@H](O)c2cccc(OC)c2OC)nc2ccccc21 503459 RGTUYVNRHZBNCK-KRWDZBQOSA-N 326.396 3.545 0 50 EHAA O=C1[C@H]2CS[C@H](c3ccc(F)cc3)N2C(=S)N1c1ccccc1 1428612 HIVROSNAOLQSRB-GDBMZVCRSA-N 344.436 3.573 0 50 EHAA COc1ccccc1OS(=O)(=O)c1cc(Cl)ccc1Cl 2079318 QWQPQKWMHXOUEY-UHFFFAOYSA-N 333.192 3.770 0 50 EHAA C[C@H](NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)C(=O)O 2560873 IZBDJSRNVBUKTE-ZDUSSCGKSA-N 327.380 3.788 0 50 EHAA in-vitro Cc1ccccc1NC(=O)CSc1nccc(-c2ccco2)n1 2805529 KIHUOPMOUAMFSK-UHFFFAOYSA-N 325.393 3.776 0 50 EHAA O=C1N[C@]2(Nc3ccccc31)c1ccccc1C(=O)[C@H]2c1ccccc1 5331928 SRDUOCKZHGTVPM-DENIHFKCSA-N 340.382 3.675 0 50 EHAA CC[C@H](C)OC(=O)C1=C(C)NC(=O)C[C@@H]1c1c(F)cccc1Cl 6819437 WWTILYJWFQVYEZ-ONGXEEELSA-N 339.794 3.698 0 50 EHAA CC(C)/C=C/CN1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 11839752 FLEPTIWCTWGHBC-ONEGZZNKSA-N 326.396 3.641 0 50 EHAA CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)C1=CCCC1 12613221 CQPCAWFIODHERD-KRWDZBQOSA-N 344.474 3.649 0 50 EHAA OC1=NOC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21 18285071 QLLONGGBMHWANI-UHFFFAOYSA-N 333.343 3.640 0 50 EHAA biogenic Cn1cc(-c2cc(C(F)F)c3cnn(-c4ccccc4F)c3n2)cn1 20603104 PSXKKRHWOOLYAX-UHFFFAOYSA-N 343.312 3.898 0 50 EHAA CCN(CC)CCNc1cc(C)nc2c(-c3ccc(F)cc3)cnn12 21798986 AFZHPPPGCRQHDM-UHFFFAOYSA-N 341.434 3.598 0 50 EHAA Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C 23379494 WCGUQSICIXECDX-RMKNXTFCSA-N 334.463 3.775 0 50 EHAA CCCCc1nc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)c[nH]1 23619559 IBQYWMHVVKLVOE-KRWDZBQOSA-N 330.451 3.968 0 50 EHAA C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCc2ccccc2C1 36247481 DXBHKRPHTBOWDV-ZDUSSCGKSA-N 337.448 3.682 0 50 EHAA CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 46085292 SPDYHQNDCFTMHD-UHFFFAOYSA-N 328.416 3.586 0 50 EHAA COCCN(Cc1cccs1)C(=O)c1cccc(OC(C)C)c1 55134096 LBZDKXSYPNRDGV-UHFFFAOYSA-N 333.453 3.824 0 50 EHAA CCOc1ccc(CN(C(=O)c2ccc(F)cc2O)C2CC2)cc1 55228697 ASOSVUNPCVNGGL-UHFFFAOYSA-N 329.371 3.735 0 50 EHAA OCCn1cnc(-c2ccccc2)c1-c1cnn(-c2ccccc2F)c1 65408873 WCCYQAXWCIZLOR-UHFFFAOYSA-N 348.381 3.534 0 50 EHAA COCCOc1ccc2c(c1)NC(=O)C[C@@H]2c1ccc(F)cc1Cl 65492274 OQLFNQORMGAYFT-OAHLLOKOSA-N 349.789 3.978 0 50 EHAA c1ccc(-c2csc(-c3nccn3CCCn3ccnc3)n2)cc1 67724761 HHKDEHOEMQUUPJ-UHFFFAOYSA-N 335.436 3.960 0 50 EHAA O=C(O)c1ccc(-c2ccccc2CN2CCOCC2)cc1Cl 67973780 CHEJRQYHFWSLDJ-UHFFFAOYSA-N 331.799 3.537 0 50 EHAA C[C@@H](c1ccccc1)c1nccn1Cc1nc(-c2cccnc2)no1 71551623 BTMBFXZSOPWNEA-AWEZNQCLSA-N 331.379 3.528 0 50 EHAA Cc1ccc(-c2ccnc(N[C@H](c3nccn3C)C(C)C)n2)c(C)n1 71754131 IXKNTTLSPMKKID-KRWDZBQOSA-N 336.443 3.698 0 50 EHAA COc1cccc(CC[C@@H]2CCCN(C(=O)NCc3ccco3)C2)c1 72411226 DKOCCSZUKHWWDZ-KRWDZBQOSA-N 342.439 3.843 0 50 EHAA Cc1c(C(=O)N2CCCC[C@@H]2CCc2ccccc2)cnc2ccnn12 91452773 MXRJGJKJYSIMNQ-GOSISDBHSA-N 348.450 3.665 0 50 EHAA O=C1CC[C@]2(CCOC2)CN1CCSCc1cccc(Cl)c1 91859273 YNHXGIUQWSRVTK-KRWDZBQOSA-N 339.888 3.602 0 50 EHAA CCc1cc(NC[C@H](c2ccc(Cl)cc2)N2CCCC2)ncn1 95390923 SEWMCQCPCLJOSF-QGZVFWFLSA-N 330.863 3.941 0 50 EHAA O=C(c1ccc(Oc2cccnc2)cc1)N1CCCC[C@@H]1c1cn[nH]c1 113894241 NSCIEISYQWUHIJ-LJQANCHMSA-N 348.406 3.964 0 50 EHAA O=C(Nc1ccccc1O[C@@H]1CCOC1)N1CCC2(CCCC2)C1 120423885 SDIXWTBNOLQEFL-OAHLLOKOSA-N 330.428 3.652 0 50 EHAA C[S@@](=O)Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 131429473 VTBRGBSBLQHCQP-USGALAMMSA-N 347.867 3.961 0 50 EHAA O=C(CCCc1csc2ccccc12)N1CC[C@@H](N2CCCC2)C1 150966971 ANLQFVXQAYQOQO-QGZVFWFLSA-N 342.508 3.921 0 50 EHAA CCS(=O)(=O)Nc1ccc(N[C@@H]2CCc3ccccc32)cc1OC 170592562 RAGVFXKMDZPPNE-MRXNPFEDSA-N 346.452 3.556 0 50 EHAA FC(F)(F)Oc1ccc(NCc2ccc(N3CCCC3)nc2)nc1 170598818 BPBXCJKFKWKPKD-UHFFFAOYSA-N 338.333 3.588 0 50 EHAA Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cn(C(C)(C)C)nc1C 183447374 KCUMSXUZBHMLRN-CYBMUJFWSA-N 327.428 3.683 0 50 EHAA Cc1cccc2c1OCC[C@@H]2NC(=O)c1c[nH]nc1-c1ccccc1 188102912 WESZYHLTJZKVIO-KRWDZBQOSA-N 333.391 3.639 0 50 EHAA Cn1cc(CN[C@@H]2CCOc3ccc(F)cc32)c(-c2cccs2)n1 189583902 PJHAPCGNDKAGJB-OAHLLOKOSA-N 343.427 3.901 0 50 EHAA C[C@@H]1CC[C@@H](C)N1Cc1cccc(OCCCCN2CCOCC2)c1 218968335 GNBLCUIJTPBFBN-RTBURBONSA-N 346.515 3.551 0 50 EHAA O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCNCC1 237683395 CPICCGUGSNVEQE-UHFFFAOYSA-N 348.368 3.965 0 50 EHAA CN(C)[C@H]1CCC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccco2)C1 241720795 QSISUNZLICRMLP-MOPGFXCFSA-N 340.467 3.929 0 50 EHAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 242389611 ZYTUZJMSYCDFLF-YUONIXPFSA-N 325.452 3.836 0 50 EHAA CC(C)Oc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(F)c1 245305002 HLYDAZSPQKKPFE-DAXOMENPSA-N 336.407 3.548 0 50 EHAA CC[C@H](C)NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 247024613 DJGOJVTYDJZUJA-SJCJKPOMSA-N 334.510 3.672 0 50 EHAA CC(=O)[C@@H]1[C@H](O)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257345649 FGDFFHLIMDMCJI-UZLKEUPWSA-N 334.500 3.566 0 50 EHAA O=[S@@](=NCC[C@@H]1CCCO1)(c1ccc(F)cc1)C(F)(F)F 408525091 KNDOULBYNNOKOR-MQJDWESPSA-N 325.327 3.742 0 50 EHAA Cc1cc(NC(=O)c2ccc(NC(=O)C(C)(C)C)nc2)ccc1F 448899138 NJXDRTVUGPEAFS-UHFFFAOYSA-N 329.375 3.766 0 50 EHAA CC[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccncc1 453188315 WHYUKPUZIKUNEL-DLBZAZTESA-N 347.821 3.720 0 50 EHAA Cc1ccc([C@@H](NC(=O)N(C)CC2(C)COC2)c2ccccc2)cc1 534636198 GCNCFWJBVDMNCX-IBGZPJMESA-N 338.451 3.762 0 50 EHAA CC(C)CCc1ccc(NC(=O)N2CCO[C@](C)(C(F)F)C2)nc1 667209844 JDFWFLFHYPLPGY-KRWDZBQOSA-N 341.402 3.558 0 50 EHAA O=C(c1coc(C2CC2)n1)N1CC(OCc2cccc3ccccc23)C1 681638738 QRDQVHVKUONQTK-UHFFFAOYSA-N 348.402 3.746 0 50 EHAA Cc1ncsc1CCC(=O)Nc1cccc(N2C(=O)CC[C@@H]2C)c1 828065432 RVOATYFOQXQPNL-LBPRGKRZSA-N 343.452 3.538 0 50 EHAA CC(C)n1ncc2c(NC[C@H](C)c3ccncc3)nc(Cl)nc21 892837244 SZQJSFBJEVNUMQ-NSHDSACASA-N 330.823 3.671 0 50 EHAA COc1ccc2ncc(Cl)c(N3CC[C@H](c4nc(C)no4)C3)c2c1 894065688 GEAXRJHIYFSAHD-NSHDSACASA-N 344.802 3.582 0 50 EHAA COC1(c2nc(-c3cccnc3-n3ccnc3)no2)CCCCCC1 903984995 GQFXHWTXOKCXCJ-UHFFFAOYSA-N 339.399 3.513 0 50 EHAA FC(F)c1nc(NCc2cnn3c2CCCC3)c2ccccc2n1 1337279100 KHRUHDIJBLAEIB-UHFFFAOYSA-N 329.354 3.712 0 50 EHAA Cc1nn(C)c(NC(=O)[C@H](C)N2CCCCCC2)c1-c1ccccc1 1529090990 MARFCHUQSGDAPC-INIZCTEOSA-N 340.471 3.599 0 50 EHAA CCn1cncc1CN(Cc1ccccc1)Cc1scnc1C 1529134184 ZFFRBSPJWNPJPY-UHFFFAOYSA-N 326.469 3.870 0 50 EHAA C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1-c1ccc2c(c1)COC2 1772808467 RGJQTGHZBNQBQJ-CQSZACIVSA-N 348.402 3.977 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@@H](NCC2(CO)CCC2)c2ccccc21 1775998030 QMRTXBPRZQNOCM-MRXNPFEDSA-N 346.471 3.625 0 50 EHAA COc1ccc(-c2ccc(C(=O)N[C@H]3CCCCCC[C@@H]3O)o2)cc1 1857687521 VKUZCDCGSOBZAL-IRXDYDNUSA-N 343.423 3.769 0 50 EHAA O=C(C1CC(C(F)(F)F)C1)N1CC(Cc2ccc(F)c(F)c2)C1 1875293520 SVYIIADIRFEHKX-UHFFFAOYSA-N 333.300 3.554 0 50 EHAA CC(C)[C@H]1CCC[C@H]1NC(=O)c1nc(C(F)(F)F)n2c1CCCC2 1875329678 CODIQCVZJIXADL-VXGBXAGGSA-N 343.393 3.793 0 50 EHAA Fc1cc(F)c2c(c1)CN(Cc1ccnn1Cc1ccccc1)CC2 2325742493 SWTFBCSCMUTSFI-UHFFFAOYSA-N 339.389 3.768 0 50 EHAA Fc1ccc(-c2noc(-c3coc(C4CCNCC4)n3)n2)c(Cl)c1 2325777319 VRXFQINFZOBWMB-UHFFFAOYSA-N 348.765 3.651 0 50 EHAA C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1 50882 PRBVKBGBGXBEGR-UKRRQHHQSA-N 342.826 3.570 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)CC(=O)N1 227579 YMIWLXFKIHXJLL-NSHDSACASA-N 342.222 3.823 0 50 EHAA CCCn1c([C@@H](O)c2cc(OC)ccc2OC)nc2ccccc21 233952 GTMXXTNYPOJJEV-SFHVURJKSA-N 326.396 3.545 0 50 EHAA COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccccc1F 360097 NMUOQTSDKPOCLX-QGZVFWFLSA-N 345.414 3.682 0 50 EHAA O=C1C[C@H](c2c(F)cccc2Cl)c2cc3c(cc2N1)OCCO3 1061314 CZHBUODUVDGWLO-JTQLQIEISA-N 333.746 3.724 0 50 EHAA O=C(Nc1cccc(OC(F)(F)F)c1)C(=O)c1c[nH]c2ccccc12 2561927 CARSEHGSJYTCDS-UHFFFAOYSA-N 348.280 3.888 0 50 EHAA O=C(c1ccccc1)n1nc(-c2ccco2)nc1NCc1ccccc1 4811007 XDEIYFXSGYNEAV-UHFFFAOYSA-N 344.374 3.839 0 50 EHAA O=C(Nc1cccc(OCCOc2ccccc2)c1)c1cccnc1 9826776 YMHQKFHPJDTGBB-UHFFFAOYSA-N 334.375 3.792 0 50 EHAA COc1cccc(-n2nnc(-c3nnc(-c4ccccc4C)o3)c2C)c1 11692826 SMGCIEFXPWHVJB-UHFFFAOYSA-N 347.378 3.610 0 50 EHAA Cc1ccc(C(C)C)c(COC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)c1 22130502 AXXJCUIXRRRGQT-QWFCFKBJSA-N 333.516 3.974 0 50 EHAA CCOc1ccc(CCCC(=O)N(C)[C@H](C)c2ccncn2)cc1C 55152882 HRNVTQYHKTYTAL-MRXNPFEDSA-N 341.455 3.726 0 50 EHAA Cc1cc(C)nc(NCc2cccnc2N(C)Cc2ccccc2)n1 67726306 ODGJGZOEDPIYAF-UHFFFAOYSA-N 333.439 3.737 0 50 EHAA O=C(c1c(O)cccc1O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71551822 JDPJJRPEYOUVOM-OAHLLOKOSA-N 343.398 3.722 0 50 EHAA COc1ccc2cc([C@@H]3CN(c4nccc(C)n4)CCO3)ccc2c1 71754479 SJHPUSVBWIWSJT-IBGZPJMESA-N 335.407 3.525 0 50 EHAA CC(C)c1nc(Cn2ccnc2-c2ccc(-c3cc[nH]n3)s2)no1 71763334 FKLLLMSTMDYELK-UHFFFAOYSA-N 340.412 3.556 0 50 EHAA Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71768044 PKVVNUJNLGHBTG-KRWDZBQOSA-N 343.446 3.661 0 50 EHAA O=C1CC[C@@]2(CCCO2)CCN1Cc1ccccc1OC(F)(F)F 72156751 JMNLUIIEMHLAQP-INIZCTEOSA-N 343.345 3.647 0 50 EHAA COCCn1cncc1CN1CCC[C@H](CCc2ccccc2C)C1 72170528 MBOAHIYVTACPKE-LJQANCHMSA-N 341.499 3.683 0 50 EHAA CCC(C)(C)C(=O)N1CCC[C@H](c2cc(N3CCCC3)nc(C)n2)C1 72409420 BFCPMTXIQBTLKH-INIZCTEOSA-N 344.503 3.527 0 50 EHAA Cc1ccc2nc([C@@H]3CCCN3C(=O)CCC(F)(F)F)[nH]c2c1 77298484 JTSLRXFMJANEMD-ZDUSSCGKSA-N 325.334 3.877 0 50 EHAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1CC 77505334 CMJOJQYTZPIUML-AWEZNQCLSA-N 342.439 3.678 0 50 EHAA Cc1nccc(-c2ccccc2)c1C(=O)N1Cc2ccccc2[C@H](O)C1 82098495 MWWBAMMTRHTXEP-HXUWFJFHSA-N 344.414 3.746 0 50 EHAA C[C@@H](NC(=O)c1sc2cccc(F)c2c1Cl)c1ccncn1 91452300 NCNNAQBGGWBDHU-MRVPVSSYSA-N 335.791 3.975 0 50 EHAA CNc1nc(C)cc(N[C@H]2CCCc3nc(-c4ccccc4)ncc32)n1 91643532 AFLMTGBKBXJKLK-INIZCTEOSA-N 346.438 3.773 0 50 EHAA CC[C@H](Nc1nc(C)nc2onc(C)c12)c1nc2ccc(C)cc2[nH]1 95371032 JMFSSHZIJGKASQ-LBPRGKRZSA-N 336.399 3.983 0 50 EHAA Cc1cnccc1N1CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 97717428 KLFZAEYRMXEVSH-LJQANCHMSA-N 341.455 3.547 0 50 EHAA CCc1cccc2c(CCNCc3cnc4c(c3)c(C)nn4C)c[nH]c12 111397631 LNYVQTPUTZRDIP-UHFFFAOYSA-N 347.466 3.653 0 50 EHAA CC1CCN(C[C@@H]2CCCN(c3nnc(C(F)(F)F)s3)C2)CC1 154146665 RKYRGGPJWVFSMQ-LBPRGKRZSA-N 348.438 3.505 0 50 EHAA CCO[C@@H]1C[C@@H](NC(=O)c2cc3c(C)cc(F)cc3[nH]2)C12CCC2 170639073 VIQJQLKSSODFIA-IAGOWNOFSA-N 330.403 3.693 0 50 EHAA O=C(NCc1cc2ccccc2o1)NC1CCN(C2CCCC2)CC1 175645624 HIABKEBDGBIYAJ-UHFFFAOYSA-N 341.455 3.639 0 50 EHAA COc1cc(C(=O)O)cc(Cl)c1OC(=O)c1ccc(Cl)cc1 217042922 JFQJMGWFYGQZJM-UHFFFAOYSA-N 341.146 3.919 0 50 EHAA COc1cc([C@@H](C)NCc2c[nH]nc2C)ccc1SC(F)F 225545353 AYHNOOSRNJMENE-SECBINFHSA-N 327.400 3.892 0 50 EHAA CCCc1noc([C@H](C)N2CCC[C@@H](n3cnc4ccccc43)C2)n1 229272265 RKZNJJYQGWZSTJ-LSDHHAIUSA-N 339.443 3.770 0 50 EHAA O=C(Nc1ncc(-c2ccccc2)s1)N[C@@H]1CCN2CCCC[C@@H]12 229778381 PUFDEOFFLAFSNN-CABCVRRESA-N 342.468 3.558 0 50 EHAA Cn1c(C(=O)N2CCC[C@H](CCC(=O)O)C2)c(Cl)c2ccccc21 237712842 IEOVTFMDKGKKCB-GFCCVEGCSA-N 348.830 3.549 0 50 EHAA Cc1csc(CCCC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)n1 283341951 HTVAJQOJGLTKPU-HNNXBMFYSA-N 343.496 3.641 0 50 EHAA Cc1cc(F)cc([C@@]2(F)CCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)C2)c1 337728819 VLZHWBJENUYFEF-HXPMCKFVSA-N 347.409 3.675 0 50 EHAA CCc1nc([C@@H](C)NC(=O)N2CCOC[C@H]2c2ccccc2)cs1 369860452 GKIXKWIVCWTRKQ-CJNGLKHVSA-N 345.468 3.550 0 50 EHAA CN(C)CCOc1ccc(NC(=O)[C@H]2CCC(F)(F)C2)cc1Cl 390833273 FLESBVAIQRJOMB-NSHDSACASA-N 346.805 3.654 0 50 EHAA O=C(N[C@@H](c1cccs1)C1(CO)CCC1)c1cc2ncccc2o1 824480802 CSMYCPJBEGOOMV-INIZCTEOSA-N 342.420 3.523 0 50 EHAA CCCOc1ccc(NC(=O)N2CC[C@](C)(C(=O)O)C2)cc1C(C)C 887394366 OSBPYNAUEVAGJF-IBGZPJMESA-N 348.443 3.927 0 50 EHAA COc1cc2c(cc1O)CCN(Cc1cnc(-c3ccccc3)o1)C2 931761673 HFMJERFCBYITCL-UHFFFAOYSA-N 336.391 3.614 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(-c3ccccc3)ncn2)C1 952882126 UHDUQDFFOOGUDF-OAHLLOKOSA-N 340.427 3.565 0 50 EHAA CCN(C(=O)c1cc(C)nc2cc(Cl)ccc12)[C@H]1CCCC[C@@H]1O 1565528102 NNJFKSRDMTZVON-ROUUACIJSA-N 346.858 3.962 0 50 EHAA C[C@H](NC[C@H]1CCc2cc(F)ccc21)c1nc(O)c2ccccc2n1 1875307374 CQIXPXKGZZCNHP-GXTWGEPZSA-N 337.398 3.855 0 50 EHAA CC(C)n1ncc2c1C[C@@H](N[C@@H](c1ccccc1)C1(O)CCC1)CC2 1875369161 WYPARHPXVSGNSF-ICSRJNTNSA-N 339.483 3.567 0 50 EHAA CN(C)C/C=C/C(=O)N[C@H](c1ccc(F)c(C(F)(F)F)c1)C1CC1 1875377203 VSFZVPZRQQJBJS-CWDCEQMOSA-N 344.352 3.530 0 50 EHAA O=C(Nc1ccc(OC2CCC2)c(F)c1)C(F)(F)c1cncs1 2325769872 FRTVGAWHLIWQIR-UHFFFAOYSA-N 342.342 3.944 0 50 EHAA CC(C)c1cc(CN2CCC(Cc3ccccc3C(=O)O)CC2)no1 2325789333 KJYPEDPQKABROU-UHFFFAOYSA-N 342.439 3.951 0 50 EHAA CCC[C@@H](NC(=O)c1nnc2c(F)cccc2c1O)C1CCCCC1 2325842370 WEYLUPLNMFUXQA-OAHLLOKOSA-N 345.418 3.953 0 50 EHAA CCCN1CCC[C@]2(CCCN2CCCCOc2ccccc2)C1=O 2356152738 YWBRJSNGZFIZSQ-NRFANRHFSA-N 344.499 3.713 0 50 EHAA Cc1ccc(C2=NN=C(NC(=O)c3ccc(Cl)cc3)SC2)cc1 205710 GPYKXBNTCFPTAS-UHFFFAOYSA-N 343.839 3.885 0 50 EHAA CCc1cc(=O)oc2cc(OCc3cc(C(=O)OC)oc3C)ccc12 304138 MLIYYGAMRYLWEB-UHFFFAOYSA-N 342.347 3.622 0 50 EHAA biogenic O=C1C[C@H](c2ccccc2)CN1C(=O)c1cccc(Br)c1 306132 XZHZOTITJJGRFJ-AWEZNQCLSA-N 344.208 3.605 0 50 EHAA Cc1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1Cl 2709882 NCBNSQWUFGCHNP-GOSISDBHSA-N 329.783 3.759 0 50 EHAA Cc1ccc(OCCSc2nnc(-c3ccccc3)n2C)cc1 2838100 JKDDRZHUTZFHRU-UHFFFAOYSA-N 325.437 3.962 0 50 EHAA CCc1ccc(N[C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)cc1 2889912 OPHZDZDJRINIFE-OAHLLOKOSA-N 328.799 3.646 0 50 EHAA COC(=O)c1c(NC(=O)CSc2ccccc2)sc2c1CCC2 4750016 GOWQTBVTFJGYBW-UHFFFAOYSA-N 347.461 3.754 0 50 EHAA O=C(CN1CCCCC1)Nc1ccc(Br)cc1Cl 6742034 NZBOSLVDMVSWLL-UHFFFAOYSA-N 331.641 3.527 0 50 EHAA O=C(Nc1ccc(Br)cc1)c1cc(-c2cccnc2)on1 6785655 IPASXJYZOZEACF-UHFFFAOYSA-N 344.168 3.751 0 50 EHAA CCOc1cc(CNCCc2c[nH]c3ccc(OC)cc23)ccc1O 9482333 ATVMQJAPGGVHOX-UHFFFAOYSA-N 340.423 3.613 0 50 EHAA Fc1ccccc1-c1cnnc(NCCc2cccc(Cl)c2)n1 11812740 OUKIEKRLEXEHOL-UHFFFAOYSA-N 328.778 3.986 0 50 EHAA CC(C)c1ccc(N[C@H]2CCCN(Cc3ccc(CO)o3)C2)cc1 11820767 DGCOJBBTBUFLSW-SFHVURJKSA-N 328.456 3.972 0 50 EHAA COc1ccccc1Oc1ncccc1CNC(=O)[C@H]1CC=CCC1 12318503 NPYHCBGATHLKNW-HNNXBMFYSA-N 338.407 3.855 0 50 EHAA Cc1ncoc1C(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 12712850 IWRKFRVGDBOTAT-CQSZACIVSA-N 334.366 3.746 0 50 EHAA Cc1ccc(C(=O)Nc2ccccn2)cc1NC(=O)c1ccccc1 16625662 PUORAJZSCAVHSE-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA C[C@@H]([C@@H]1CCCO1)n1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 17070772 YSISXRAGZZJPCJ-ONGXEEELSA-N 336.482 3.739 0 50 EHAA Nc1ccc(-c2nc3ccc(-c4nc5ccc(N)cc5[nH]4)cc3[nH]2)cc1 18206988 PAGZCEHLFCJSPV-UHFFFAOYSA-N 340.390 3.938 0 50 EHAA aggregator,in-vitro CC(C)(C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19834643 KWPBNLGNSFIDPC-UHFFFAOYSA-N 336.479 3.966 0 50 EHAA CC(C)CCC[C@H]1CN(C2CCN(Cc3ccccn3)CC2)CCO1 20514783 GKLTXNOHFDTKLW-NRFANRHFSA-N 345.531 3.573 0 50 EHAA O=C1C[C@H](c2nc(-c3ccsc3)c[nH]2)CN1c1cccc(F)c1 23191536 AXYUZVIXRURFSO-LBPRGKRZSA-N 327.384 3.798 0 50 EHAA Cc1ccc(C(=O)NCCC2=CCCCC2)cc1NC(=O)C1CC1 55107656 HADSYXOEGQKYNX-UHFFFAOYSA-N 326.440 3.964 0 50 EHAA CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2cc(C(C)C)on2)n(C)n1 65405356 RGEGAFQPNNTUBC-INIZCTEOSA-N 344.459 3.707 0 50 EHAA Cc1ccccc1-c1noc(CNCc2ccccc2-n2cccn2)n1 65409324 UPWPOGGJJZJZNR-UHFFFAOYSA-N 345.406 3.521 0 50 EHAA CCOCCn1cnc(-c2ccccc2)c1CCn1nc(C)cc1C 65425615 VSYGTXCXPNXFJM-UHFFFAOYSA-N 338.455 3.643 0 50 EHAA Cc1noc(C)c1[C@H]1CCCN1Cc1c(Cl)nc2sccn12 71614294 XCQNJYZIWYUCDW-LLVKDONJSA-N 336.848 3.991 0 50 EHAA c1ccc(Cn2cc(-c3ncc[nH]3)c(-c3ccc4c(c3)OCO4)n2)cc1 72133772 YAPMNYKRTXPCSD-UHFFFAOYSA-N 344.374 3.717 0 50 EHAA CC(C)c1cc(N2CCC[C@H](N(C)C)CC2)nc(C(F)(F)F)n1 72134298 MDBYEBMCDOUWHW-LBPRGKRZSA-N 330.398 3.539 0 50 EHAA CSCC[C@H]1C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O 100817292 KDGUNUVKTAAEES-IRXDYDNUSA-N 325.433 3.713 0 50 EHAA CN(C)C[C@H]1[C@@H]2CN(C(=O)Nc3cccc(Cc4ccccc4)c3)C[C@H]12 102316816 YIGODYMEHPNOJZ-MZADTFQBSA-N 349.478 3.549 0 50 EHAA CCCO[C@@H]1O[C@@H]1C[Si](C)(C)[Si](C)(C)C[C@@H]1O[C@H]1OCCC 169814843 GOSAYCBCKAOBLJ-QKPAOTATSA-N 346.616 3.785 0 50 EHAA O=C(NNc1cccnn1)c1ccccc1NCCC1=CCCCC1 170591160 XOTVYTHEBCHSAY-UHFFFAOYSA-N 337.427 3.536 0 50 EHAA Cn1cccc1[C@@H]1CCCCN1C(=O)CCn1cnc2ccccc21 174403732 ONZCTPAVDNIVRC-IBGZPJMESA-N 336.439 3.519 0 50 EHAA CCN1CCN(C(=O)Cc2c[nH]c3cccc(OC)c23)c2ccccc21 181780174 KQBRCWZRBGRJFC-UHFFFAOYSA-N 349.434 3.592 0 50 EHAA O=C(c1cccn1C1CC1)N(Cc1ccc(O)cc1)Cc1ccco1 182506772 XQFXDCKTRBFRGO-UHFFFAOYSA-N 336.391 3.964 0 50 EHAA O=C(c1c[nH]nc1-c1cccc(OC(F)F)c1)N1CCCC2(CC2)C1 184118322 LOPQHSWZWFGCNQ-UHFFFAOYSA-N 347.365 3.694 0 50 EHAA C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 191449803 AXEGQNWSVSLIKF-MNOVXSKESA-N 349.456 3.784 0 50 EHAA C[C@H](c1ccon1)N(C)Cc1cnc(SCc2ccccc2)nc1 215217347 PTLSBPAQLBLHID-CQSZACIVSA-N 340.452 3.950 0 50 EHAA CC[C@H](NC(=O)c1cc(C)nc(C)c1)c1ccc(OC)c(OC)c1 215629202 QIZHRJGZGDCKQN-INIZCTEOSA-N 328.412 3.597 0 50 EHAA Cc1noc([C@H](NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C(C)C)n1 229580767 HZIGFPZQORPERY-QJPTWQEYSA-N 333.354 3.560 0 50 EHAA C[C@H](C[C@H](O)c1ccccc1)N[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 241926501 UGQFKQZCGJOCJM-DDBAPUKQSA-N 348.487 3.534 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 257356313 HHUZGDMRRLQZIQ-XQKCBIRMSA-N 334.500 3.566 0 50 EHAA O=C([C@@H]1CC12CCNCC2)N1CCC(c2cccc3ccccc23)CC1 261944426 OCLSJYLUGULWFP-NRFANRHFSA-N 348.490 3.936 0 50 EHAA CC(C)c1occc1C(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 290583707 JPAFDZPJRDKRPQ-FQEVSTJZSA-N 345.414 3.609 0 50 EHAA CC(C)c1nc(CCNC(=O)N2CCCc3occc3C2)cs1 291314277 PYQJETQBZIJFCF-UHFFFAOYSA-N 333.457 3.560 0 50 EHAA CC(C)CC(=O)Nc1ccc(NC(=O)c2cnc(C3CC3)nc2)cc1 294223310 AXTHBNDJYKTVIO-UHFFFAOYSA-N 338.411 3.591 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1coc(-c2ccccc2)n1 294305812 XNHXTBOWZGYVTK-PVAVHDDUSA-N 326.396 3.559 0 50 EHAA COc1cccc([C@@H]2C[C@@H](C)CN2c2ncnc3c2ncn3C2CC2)c1 330307706 SIWRQFVWEILTKV-DYVFJYSZSA-N 349.438 3.757 0 50 EHAA COc1ccc2c(c1)C1(CC1)CN(Cc1cc3ccccc3nc1O)C2 377733243 UMHXZXHSJRCMJO-UHFFFAOYSA-N 346.430 3.996 0 50 EHAA Cc1csc2ncnc(Nc3ccc(CN4CCCC4=O)cc3)c12 413062305 OYQLSUKUOMJRNI-UHFFFAOYSA-N 338.436 3.866 0 50 EHAA CC(C)Oc1ccccc1-c1ccc([C@@H](O)CN2CCOCC2)cc1 426492738 DAGWFTSMWJDPLC-FQEVSTJZSA-N 341.451 3.506 0 50 EHAA CCCOc1c(CN2CC[C@](CO)(CCC)C2)cccc1OCC 809791104 UELZZOPQSNWHRU-HXUWFJFHSA-N 335.488 3.859 0 50 EHAA Cc1cc(NCC2(N3CCOCC3)CCCCC2)nc2ccccc12 825138936 OLMZYQRKZJWOPW-UHFFFAOYSA-N 339.483 3.990 0 50 EHAA Cc1cc2cc(NC(=O)[C@@H]3CC(=O)OC34CCCCC4)ccc2o1 828244572 RGUYAGNYKQVYJV-HNNXBMFYSA-N 327.380 3.946 0 50 EHAA CO[C@@H]1CCC[C@@]12CCCN(CC(=O)Nc1ccc(C)cc1C)C2 1704297023 CTGJXXJZVYLJRV-QUCCMNQESA-N 330.472 3.523 0 50 EHAA Cc1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)c1 1775986643 HPDZRRJSALTQKW-LJQANCHMSA-N 347.422 3.601 0 50 EHAA COCC1(Cc2nc(Cc3ccc(Cl)c4cccnc34)no2)CC1 1776005796 HRRKWWNRLORWQZ-UHFFFAOYSA-N 343.814 3.831 0 50 EHAA Cc1sc2nc(Cc3cnc[nH]3)nc(O)c2c1-c1ccc(F)cc1 1857527826 YONHZNBDAKDYPS-UHFFFAOYSA-N 340.383 3.825 0 50 EHAA COC(C)(C)CCn1ccnc1-c1cc2cccc(C)c2nc1O 1857670562 UZBFWSUHLBGVET-UHFFFAOYSA-N 325.412 3.927 0 50 EHAA C=CC(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCCC[C@H]2CC)cc1 1875388853 SLDYKUOBXPBKPF-RTBURBONSA-N 340.467 3.941 0 50 EHAA Cc1cnc(CCc2nc(-c3ccsc3C(F)(F)F)no2)[nH]1 2325801416 HDDFDSBJEQGMTD-UHFFFAOYSA-N 328.319 3.634 0 50 EHAA O=C(NCc1cc2cc(F)ccc2[nH]1)c1ccc([C@@H]2CCCN2)s1 2325814087 RRWHCFZJPNWLNS-HNNXBMFYSA-N 343.427 3.723 0 50 EHAA C[C@H](NCC1(c2ccc3c(c2)OCO3)CC1)c1ccc2n[nH]cc2c1 2325859538 AGJJGKYUIRYYLE-ZDUSSCGKSA-N 335.407 3.674 0 50 EHAA O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl 2166 AGHANLSBXUWXTB-UHFFFAOYSA-N 331.176 3.749 0 50 EHAA world COC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C 133634 XEASZYYGLSUVPL-UHFFFAOYSA-N 341.407 3.788 0 50 EHAA COc1cccc2c1N1C(=O)c3c(C(=O)O)cccc3[C@H]1CC2(C)C 235511 XZPACUICPVWESN-CQSZACIVSA-N 337.375 3.776 0 50 EHAA biogenic O=C(CSc1ncnc2sc3c(c12)CCCC3)NC1CCCC1 419009 DDTGGNRUZLLEGG-UHFFFAOYSA-N 347.509 3.721 0 50 EHAA COc1ccccc1N1CCN(C(=O)c2ccc(C)cc2Cl)CC1 457980 QQFDQDNAKPJLAG-UHFFFAOYSA-N 344.842 3.619 0 50 EHAA Cc1c(CN2CCC[C@H]3CCCC[C@H]32)c(=O)n(-c2ccccc2)n1C 757370 WMSDSHMGTFQZQA-YLJYHZDGSA-N 339.483 3.639 0 50 EHAA CCCCC(=O)Nc1ccc2nn(-c3ccc(OCC)cc3)nc2c1 2433239 AWPJKWZHRFJIOB-UHFFFAOYSA-N 338.411 3.948 0 50 EHAA O=C1c2ccccc2C(=O)N1CCCOc1cccc(C(F)(F)F)c1 2868539 XMQUYHWBJZHQNM-UHFFFAOYSA-N 349.308 3.771 0 50 EHAA COc1ccc(Cl)cc1NC(=O)Nc1cccc(NC(C)=O)c1 6700245 OLTDHHWIZAWWGD-UHFFFAOYSA-N 333.775 3.951 0 50 EHAA Cc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2Cl)cc1C 6702409 JDIUSODFPDIAET-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA O=C1C[C@H](c2cccs2)Cc2c1cnn2-c1nc2ccccc2[nH]1 8992774 PAKBEVOPYVPJGP-LLVKDONJSA-N 334.404 3.723 0 50 EHAA COc1ccc(N[C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)cc1 12306449 FJSYZJOSMYJKIO-HXUWFJFHSA-N 338.451 3.974 0 50 EHAA FC(F)(F)c1cccc(Oc2ncccc2CNCc2c[nH]cn2)c1 12316264 HGXUZSJYIWJFPS-UHFFFAOYSA-N 348.328 3.906 0 50 EHAA CCCO[C@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 12387348 MMEIZDJTIZOGKB-HNNXBMFYSA-N 335.835 3.781 0 50 EHAA Cc1cc(C)c(C(=O)N2CCCC[C@H]2CCN2CCCC2=O)cc1C 19839565 QFHJJPZMBLMSCT-SFHVURJKSA-N 342.483 3.619 0 50 EHAA c1cncc(CN2CC[C@]3(CCCN(CC4CCCCC4)C3)C2)c1 55154744 UQTDUHFHDJPUHX-NRFANRHFSA-N 327.516 3.950 0 50 EHAA CCc1cccc(OCCCN(C)C(=O)c2ccnc(C(C)C)n2)c1 55393234 DMUMQPRQVOGXBH-UHFFFAOYSA-N 341.455 3.704 0 50 EHAA Cc1cc(C)c(NC(=O)CCN[C@H](C)Cc2cccnc2)c(C)c1 65375015 JIRRYDZUGKHWHD-QGZVFWFLSA-N 325.456 3.556 0 50 EHAA Cc1ccc2c(C)c(C(=O)N(C)CCc3noc(C4CC4)n3)oc2c1 65382376 SSDIGVVEHCFAER-UHFFFAOYSA-N 339.395 3.625 0 50 EHAA Cc1nccc(N2CCC[C@H](c3[nH]ncc3-c3ccc(F)cc3)C2)n1 67785698 RVDILCSUPUAARW-HNNXBMFYSA-N 337.402 3.698 0 50 EHAA O=C(O)[C@@]1(Cc2cccc(Cl)c2)CCCN(c2ncccc2F)C1 71721291 IESGEADFIMIWIY-GOSISDBHSA-N 348.805 3.788 0 50 EHAA CC(C)c1cc(C(=O)N2CCO[C@@H](Cc3ccccc3Cl)C2)on1 71771575 LDULEQIQAKXUNA-AWEZNQCLSA-N 348.830 3.535 0 50 EHAA CC(C)[C@H]1CN(Cc2ccoc2)CCC(=O)N1Cc1ccc(F)cc1 71776366 GGSROWLQPQYBRX-LJQANCHMSA-N 344.430 3.678 0 50 EHAA COc1cccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)n1 72152791 LQLCZFOUARYPAZ-UHFFFAOYSA-N 331.379 3.641 0 50 EHAA O=C(NCCn1cccc1)N(Cc1c(F)cccc1Cl)C1CC1 84457852 SRMPYXYNZSMYBE-UHFFFAOYSA-N 335.810 3.655 0 50 EHAA CCc1nc(C)c(C(=O)N(C)Cc2ccccc2OCC(C)C)o1 97370334 WRGYSBTUMIDADV-UHFFFAOYSA-N 330.428 3.852 0 50 EHAA O=C(Cc1ccc(O)cc1)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 131000787 PGCTVQQBUWAZMC-HNNXBMFYSA-N 341.304 3.884 0 50 EHAA O=C(C[C@@H]1CCCN1Cc1nnc(-c2ccco2)o1)c1cccs1 177400610 NIRSMMOUSYPGET-LBPRGKRZSA-N 343.408 3.629 0 50 EHAA O=C(c1ccccc1OC(F)F)N1CC[C@]2(C1)OCc1ccccc12 186898707 RABAMIHGGPJPQM-LJQANCHMSA-N 345.345 3.560 0 50 EHAA Cc1ncc(-c2ccc(NC(=O)C(=O)Nc3ccccc3C)cc2)o1 188512270 LBGNYHYRNVJNIZ-UHFFFAOYSA-N 335.363 3.536 0 50 EHAA C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)O)cc1 237356161 MNUXFUAKXMCEDR-WBMJQRKESA-N 327.355 3.542 0 50 EHAA O=C(c1cc(F)cc2cccnc12)N(c1ccccc1)[C@H]1CCOC1 242178836 XBHBERGQNOMIJD-KRWDZBQOSA-N 336.366 3.810 0 50 EHAA CC1(C)CN(C(=O)Nc2ccc3c(c2)OCO3)CC[C@@H]1C(F)(F)F 252479010 AZIIZBUCYCVZBC-ZDUSSCGKSA-N 344.333 3.858 0 50 EHAA CCN(CC)CCc1ccc(NC(=O)CCc2cccnc2)cc1 252496885 PTSQHGRAEPRGGE-UHFFFAOYSA-N 325.456 3.537 0 50 EHAA O=C(N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1ccsc1 252572056 YWHVDRBKMLCPEI-UWWQBHOKSA-N 338.432 3.538 0 50 EHAA Cc1oc2ccccc2c1CNC(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1 332838723 AQCMHHXIFWUPHE-QZTJIDSGSA-N 342.439 3.840 0 50 EHAA CC[C@H](NC(=O)N(C)CCc1noc(C(C)C)n1)c1ccccc1 426490285 XOWKWZYHZTXNFR-HNNXBMFYSA-N 330.432 3.528 0 50 EHAA Cc1ccc(C2(CNC(=O)C3(C4CC4)CCOCC3)CC2)c(C)c1 452307156 GRJGUXKBTSOGEW-UHFFFAOYSA-N 327.468 3.658 0 50 EHAA CC(C)CN(Cc1ccco1)C(=O)N[C@@H](c1nccn1C)C(C)C 534635307 SECFKGLHSADQFA-MRXNPFEDSA-N 332.448 3.578 0 50 EHAA CCc1ocnc1C(=O)NC[C@H](C)c1ccc(Br)cc1 887408810 QVXQFOMFWRVTLX-JTQLQIEISA-N 337.217 3.533 0 50 EHAA O=C(c1cccc2nc(C(F)F)[nH]c12)N1CCC[C@H]1c1ccc[nH]1 930162826 KEKYZVPSDILJFT-ZDUSSCGKSA-N 330.338 3.806 0 50 EHAA CC(C)SCC(=O)Nc1ccccc1C(=O)N1CCCC[C@@H]1C 952984015 MVJZHPBIYBVGQE-AWEZNQCLSA-N 334.485 3.781 0 50 EHAA CCCn1cc(CNc2cccc3c2OC(C)(C)C[C@@H]3O)c(C)n1 1461795219 MGWXGIQEQUQCDW-KRWDZBQOSA-N 329.444 3.808 0 50 EHAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@H]2C[C@@H](O)C[C@H]2C1 1775984446 URLUDTDJHWNQOR-BTTYYORXSA-N 345.826 3.751 0 50 EHAA Cc1ccc(OCCCN(C)C[C@H]2CCC(=O)N(C(C)C)C2)c(C)c1 1775984558 YXLVJOFKJICJPQ-LJQANCHMSA-N 346.515 3.651 0 50 EHAA CCCn1ccc(CN2CCC3(CCC(CC(=O)O)CC3)CC2)n1 1776843489 RFHDRVSVLJMBSV-UHFFFAOYSA-N 333.476 3.540 0 50 EHAA N[C@@H](CC(=O)N1CCC[C@H]1c1cccs1)c1ccc(F)cc1F 1857532444 NYBKGEMIYQNEAF-GJZGRUSLSA-N 336.407 3.780 0 50 EHAA Cc1c(C(=O)N2CC=C(c3ccc(F)cc3)CC2)nc2ccccn12 1857668472 QDBNXVBGPCMYTH-UHFFFAOYSA-N 335.382 3.711 0 50 EHAA CCO[C@H]1COC[C@@H]1n1ccnc1-c1ccc(-c2cccnc2)cc1 1857698320 LLAYBKCDOKTNMT-OALUTQOASA-N 335.407 3.589 0 50 EHAA Cc1ocnc1C(=O)N1C[C@H](C(C)(C)C)O[C@H](c2ccccc2)C1 1857714882 QVKRQNDXACNPOR-JKSUJKDBSA-N 328.412 3.611 0 50 EHAA COc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2)c(C(F)F)c1 1875306566 KOHZCOOEPXMJNR-CYBMUJFWSA-N 346.377 3.642 0 50 EHAA O=C(N[C@@H]1C[C@H]2CC[C@@H]21)c1cc(-c2ccncc2)nc2ccccc12 1875319310 WXNXUEQNUFTAAR-QEEYODRMSA-N 329.403 3.825 0 50 EHAA C[C@@H](N=c1[nH]c2c(s1)C(=O)NC(C)(C)C2)c1cc2ccccc2o1 1875329574 DCPXYIZWLJWZGK-SNVBAGLBSA-N 341.436 3.549 0 50 EHAA CC1CCN(C(=O)NC[C@@H]2CCCN(c3ccc(Cl)cc3)C2)CC1 2325899967 GNTHSFFMWBHXAG-INIZCTEOSA-N 349.906 3.998 0 50 EHAA O[C@@H]1CN(Cc2cncn2C2CCCCC2)CC[C@H]1c1ccccc1 2356137293 JAYNJSMRZOABBA-LEWJYISDSA-N 339.483 3.739 0 50 EHAA CO[C@H]1CC[C@H](NC(=O)[C@H]2CCCc3c2[nH]c2ccccc32)CC1 2356142936 OAIUQXGRUUVTJZ-ZQIUZPCESA-N 326.440 3.662 0 50 EHAA COc1ccc(-c2ncc(CN3CCC[C@@H](OC)C3)s2)cc1F 2356148269 OEQVFPFYKIUYQQ-CYBMUJFWSA-N 336.432 3.569 0 50 EHAA COC(=O)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 36933 UOLAFZKSPLOLHG-UHFFFAOYSA-N 332.197 3.756 0 50 EHAA Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1 470553 HIKSFPNNLJNCIY-UHFFFAOYSA-N 337.404 3.956 0 50 EHAA CCOC(=O)[C@@H]1CCCN([C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 2497437 GEVHASPEKHFKMQ-DZGCQCFKSA-N 343.389 3.912 0 50 EHAA CCCOc1ccc([C@H]2CC(=O)Nc3cc(OC)cc(OC)c32)cc1 4488982 PRAFVXCQZXITHY-MRXNPFEDSA-N 341.407 3.967 0 50 EHAA C[C@@H](NC(=O)c1ccccc1Br)c1ccc2c(c1)OCO2 4748956 HSVWFVIEWUQEKZ-SNVBAGLBSA-N 348.196 3.669 0 50 EHAA COc1ccc(CCNC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 5049762 RTWUTLXFUVYFIW-UHFFFAOYSA-N 344.524 3.671 0 50 EHAA Cc1nn([C@@H](C)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1Cl 6527459 SHXDLNLEMMWCHS-IHWZXDPASA-N 335.879 3.739 0 50 EHAA O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(F)cc2)CC1 6920081 PVGJWEOJDBTTLF-UHFFFAOYSA-N 334.394 3.941 0 50 EHAA Cc1cc(NC(=O)[C@@H](Sc2ccccn2)c2ccccc2)no1 8707979 PQRNFYRYUBBELN-INIZCTEOSA-N 325.393 3.850 0 50 EHAA Cc1ccc(C(=O)N[C@H](C)c2cnn(-c3ccccc3C)c2C)cn1 12372914 JITSNIYFUXBBFC-OAHLLOKOSA-N 334.423 3.684 0 50 EHAA CCCC(=O)N1CC[C@]2(CCCN(CCC3CCCCC3)C2=O)C1 12709827 JVTFZBOHKZHMSW-HXUWFJFHSA-N 334.504 3.598 0 50 EHAA Cc1cc(C)n(Cc2ccc(CN3CCC[C@@H](C(C)(C)O)C3)cc2)n1 19228797 HDOLZOCFCFAGJT-HXUWFJFHSA-N 341.499 3.531 0 50 EHAA CCCCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 20064262 IRGKAQAPZJMEGP-JOCHJYFZSA-N 345.446 3.704 0 50 EHAA CC(C)=Cc1c(-c2ccccc2)ncn1C[C@@H]1CCCN(CCO)C1 65386647 BYSIVQNUQVTYLQ-GOSISDBHSA-N 339.483 3.678 0 50 EHAA CCN1CCC[C@@H](c2nccn2-c2ccc3nc(C)sc3c2)C1 65466397 VGWGFAMQUPVLPV-CQSZACIVSA-N 326.469 3.990 0 50 EHAA Cc1ccc(Oc2ncccc2CNC(=O)[C@@H](C)c2ccccc2)cn1 67489689 DOFSBLHBWRBACF-INIZCTEOSA-N 347.418 3.997 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)on1 71774820 IRZKTQUMLHRYHL-CYBMUJFWSA-N 334.366 3.746 0 50 EHAA Oc1ccc(CC[C@@H]2CCCCN2Cc2noc(C3CC3)n2)cc1 72154023 XMEDGPSKJBRUCB-INIZCTEOSA-N 327.428 3.640 0 50 EHAA C=Cc1cccc([C@H]2c3nc[nH]c3CCN2Cc2nccn2C(C)C)c1 72422394 PMAAGMOIZQVSFQ-NRFANRHFSA-N 347.466 3.978 0 50 EHAA C/C=C(\C)CN1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 91848019 PWSHUSUMLLQCCA-JFQJCAQQSA-N 326.484 3.857 0 50 EHAA O=C(c1cn2ccsc2n1)N(Cc1ccco1)Cc1cccs1 91965099 MOSVFKMADSDGQN-UHFFFAOYSA-N 343.433 3.893 0 50 EHAA CO[C@@H]1[C@H]2CC[C@@H]1CN(Cc1nc(-c3ccc(F)cc3)cs1)C2 102634498 SHQJBYLFLQWPPT-UOIKSKOESA-N 332.444 3.806 0 50 EHAA O[C@@H]([C@H]1CCCN1Cc1ccccc1C(F)(F)F)C(F)(F)F 109756431 QPBVHRXKGVFFNT-NEPJUHHUSA-N 327.268 3.593 0 50 EHAA COc1cc(C=O)ccc1Oc1ccc(C#N)cc1Br 118769835 OGJAZRRZHGFUDT-UHFFFAOYSA-N 332.153 3.934 0 50 EHAA CC(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccncc2)c1C 126336405 HOFCHSAMIYGYHV-GOSISDBHSA-N 338.411 3.717 0 50 EHAA CC[C@H]1CCC[C@H](NC(=O)c2sc(-c3ncccn3)nc2C)C1 128977621 ABXNEDVDEFXJPM-STQMWFEESA-N 330.457 3.607 0 50 EHAA C[C@@H](NC(=O)N(C)CC1CCOCC1)c1nc(C(C)(C)C)cs1 158762178 PLSSRCHMQALKQF-GFCCVEGCSA-N 339.505 3.570 0 50 EHAA CC(=O)Nc1ccc(N[C@@H](C)C2CCOCC2)c(Br)c1 170592812 IVYMSFUVEKMUFJ-JTQLQIEISA-N 341.249 3.635 0 50 EHAA CCOC(=O)c1csc([C@H]2CCCN2c2ccnc(C(C)C)n2)n1 170611261 GOCFEVPWYDGYKI-CYBMUJFWSA-N 346.456 3.575 0 50 EHAA O=S(=O)(c1cnc2ccccc2c1)N1CCCc2cccc(F)c21 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CN(Cc1cccc(-n2cccn2)c1)Cc1ccc2nsnc2c1 72457857 NATLIRFUQRFTKR-UHFFFAOYSA-N 335.436 3.509 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)NCC3(Cn4ccnc4C)CC3)c2c1 77520341 RIGOOQAKEWOFBT-UHFFFAOYSA-N 348.450 3.567 0 50 EHAA CN(C)C(=O)c1cc(-n2ccnc2-c2ccc3occc3c2)ccc1O 82129244 PTIVZYTVXQJKAR-UHFFFAOYSA-N 347.374 3.693 0 50 EHAA CCCN(CCc1ccccc1)C(=O)c1cc(-c2ccccc2O)n[nH]1 91320367 JFDQIVOZISEBEZ-UHFFFAOYSA-N 349.434 3.877 0 50 EHAA CCOCC(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc23)c1C 91587191 HOKDLQJIEQPQPM-AWEZNQCLSA-N 337.423 3.548 0 50 EHAA C[C@H](c1cncs1)N(C)C(=O)C1CCN(C2CCCCC2)CC1 95362022 CYJSVMHGIXLDPD-CQSZACIVSA-N 335.517 3.707 0 50 EHAA O=C1CC2(CCN(C[C@H]3CC=CCC3)CC2)CN1Cc1ccccc1 95531318 BTWFSAJDZWCOOU-IBGZPJMESA-N 338.495 3.857 0 50 EHAA CC1=CC[C@H]2C(=O)N(c3ccc(Br)cc3C)C(=O)[C@H]2C1 95545433 YXSAFFXYMGIBBR-OLZOCXBDSA-N 334.213 3.603 0 50 EHAA O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1cc(-c2ccccn2)n[nH]1 97568825 MWHRVALEZZTWOK-DLBZAZTESA-N 346.434 3.928 0 50 EHAA CC1=C(C)C[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2C1 100702584 IIQPYIRWPMQXIG-OKILXGFUSA-N 334.213 3.685 0 50 EHAA CC1(C)C[C@H](NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c2ccccc21 129646163 WCMNYHKGTDGNQA-JLSDUUJJSA-N 328.456 3.666 0 50 EHAA CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CN1CCCC1 169681416 UVXCNEOSWPXSJW-HNNXBMFYSA-N 330.472 3.800 0 50 EHAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCSCC[C@H]1C 170611121 HNIINYSYSBPFPK-OLZOCXBDSA-N 338.521 3.545 0 50 EHAA CC(C)CN(C(=O)Nc1nnc(Cc2cccc(F)c2)s1)C1CC1 170623069 NVWPJCMHROGQTQ-UHFFFAOYSA-N 348.447 3.920 0 50 EHAA O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCC[C@@H](c2ccn[nH]2)C1 170673259 NBQJMOIEORDNGH-CQSZACIVSA-N 348.450 3.790 0 50 EHAA O=C(Nc1ccccc1OCC(F)F)NC1Cc2ccccc2C1 184223975 WZAJQGJFZSITEQ-UHFFFAOYSA-N 332.350 3.619 0 50 EHAA C[C@@H](C(=O)Nc1cncnc1N1CCCC1)c1ccc(Cl)s1 186236411 JIVDYQDQVDGVDA-SNVBAGLBSA-N 336.848 3.534 0 50 EHAA CSc1cccc(CN(Cc2ccncc2)C[C@@H]2CCCO2)c1 215327459 NWIPCQZJKQZLME-SFHVURJKSA-N 328.481 3.985 0 50 EHAA Cc1nc([C@H]2CCCN(Cc3ccccc3OC(F)(F)F)C2)no1 216148931 KRDIWFDTOGKKHF-ZDUSSCGKSA-N 341.333 3.656 0 50 EHAA C[C@H](c1ccc(-c2cccc(C(=O)N(C)C)n2)cc1)N1CCCCC1 216332563 USZNTJUHRYMWMO-MRXNPFEDSA-N 337.467 3.997 0 50 EHAA OCC[C@H](Nc1ncc(Cl)cc1Br)c1ccco1 225602439 JVRBFXOMOSMDFB-JTQLQIEISA-N 331.597 3.626 0 50 EHAA C[C@@H](NC(=O)c1ccc2c(c1)CCNCC2)c1ccc(Cl)s1 252499623 SCYMDXDFDXDXOC-LLVKDONJSA-N 334.872 3.581 0 50 EHAA Cc1nnc(CN2CCCCC[C@H]2C[C@H](O)c2cccs2)s1 253418350 CQGIJLSNEJPASB-KBPBESRZSA-N 337.514 3.776 0 50 EHAA Cc1ccccc1[C@@H](NC(=O)Cc1ccc([S@](C)=O)cc1)C(C)C 253432607 LOSHYJPPUYVTFA-RDPSFJRHSA-N 343.492 3.788 0 50 EHAA O=C(O)c1ccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 263398825 HLFCZXQMONPIEM-QGZVFWFLSA-N 331.799 3.612 0 50 EHAA Cc1nc(-c2noc([C@@H]3CCCN3Cc3ccc(F)cc3)n2)co1 289351932 HPUFLRONLDXXAG-HNNXBMFYSA-N 328.347 3.509 0 50 EHAA CCN(C[C@H]1CCCCO1)C(=O)c1cc2cccc(Cl)c2n1C 299773114 CVYNTXGTBNGPJB-CQSZACIVSA-N 334.847 3.863 0 50 EHAA COc1ccccc1-c1ccc([C@@H](C)NC(=O)Cc2cnn(C)c2)cc1 356941221 VEWMREASCRDRNO-OAHLLOKOSA-N 349.434 3.516 0 50 EHAA O=C(NCc1cccc(O)c1)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 363945743 LKLHVKMUUFYJQH-HOTGVXAUSA-N 337.423 3.703 0 50 EHAA Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@H]1CCO[C@@H]1C1CC1 390832951 CWZLBUZTPNEZFE-PKOBYXMFSA-N 337.423 3.746 0 50 EHAA C[C@@H](NC(=O)CSc1ccc(C(C)(C)C)cc1)c1csnn1 412809176 WBWRPOPLXLIHMC-LLVKDONJSA-N 335.498 3.805 0 50 EHAA CC[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](N2CCCC2=O)CC1 412834044 DJYNBNGRAQLCST-RTBURBONSA-N 348.531 3.987 0 50 EHAA CC(C)n1cncc1CN(Cc1ccc(F)cc1)C1CCOCC1 425346131 WCXOONHWOUPDSB-UHFFFAOYSA-N 331.435 3.784 0 50 EHAA CCCN(C[C@@H]1CCCO1)C(=O)NCCn1c(C)cc2ccccc21 426734176 WCDFJUPQBJVZCI-SFHVURJKSA-N 343.471 3.550 0 50 EHAA O=C(NCc1ccc2cc[nH]c2n1)N1CCC[C@@H](c2ccccc2)C1 458781660 FONAOSDVEMJNDI-QGZVFWFLSA-N 334.423 3.652 0 50 EHAA Cn1nccc1NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1 654036934 IKBYGBUFAAEEEY-UHFFFAOYSA-N 348.397 3.575 0 50 EHAA COc1cc(NC(=O)NC[C@]2(C)CC2(F)F)cc(Cl)c1OC 667287596 MMHORFSGUGGZTK-ZDUSSCGKSA-N 334.750 3.524 0 50 EHAA Cc1ccc2nc(CNC(=O)CCCC(=O)c3ccccc3)[nH]c2c1 828032281 NWOQZOOWXJEZLK-UHFFFAOYSA-N 335.407 3.541 0 50 EHAA O=C(NCc1noc2ccc(F)cc12)NC[C@@H]1C[C@H]1c1ccccc1 868651932 WXXCXLHJIMOSIP-ZFWWWQNUSA-N 339.370 3.570 0 50 EHAA Cc1cc(-c2nc(C3CC3)nn2Cc2cccc(Cl)c2)nc(C)n1 885939255 ZSPVPMKPMSOARA-UHFFFAOYSA-N 339.830 3.931 0 50 EHAA O=S(=O)(Nc1cc(C2CCCC2)[nH]n1)c1cscc1C(F)F 903613356 JHIUBNTUDRJCTN-UHFFFAOYSA-N 347.412 3.867 0 50 EHAA COC[C@H](C)CNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 920888101 RTQKXTRZGOCJSC-MRXNPFEDSA-N 349.434 3.552 0 50 EHAA O=C(NCC(F)(F)c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1 1167875539 BQNUAECZAXFZJP-UHFFFAOYSA-N 345.324 3.738 0 50 EHAA Cc1ccc(CN(Cc2ccc(OCC(=O)O)cc2)C2CC2)s1 1506426605 PSGCEBWIRIWBJC-UHFFFAOYSA-N 331.437 3.685 0 50 EHAA CN(C(=O)c1c(Cl)cccc1Cl)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 1704349136 ZSDPKOICYFZBPZ-BKUVIOGVSA-N 328.239 3.615 0 50 EHAA Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H]3CCC[C@@H]4C[C@H]43)c12 1875266635 YKCRYISGHNTEQE-YRGRVCCFSA-N 337.379 3.710 0 50 EHAA CC(C)(C)c1ncc(CNc2cc(Br)c3cn[nH]c3c2)[nH]1 2325858829 CBAKKIADBFCNFV-UHFFFAOYSA-N 348.248 3.958 0 50 EHAA O=S(=O)(Nc1cccc2c(O)nccc12)c1sccc1C1CC1 2325866456 LPZGJDHZXHWFKL-UHFFFAOYSA-N 346.433 3.680 0 50 EHAA CCOC(=O)c1cnc2ccccc2c1Nc1ccc(C(=O)O)cc1 90648 JUKFJGNPLQFZAG-UHFFFAOYSA-N 336.347 3.853 0 50 EHAA biogenic CCN(C(=O)c1cc2cccc(OC)c2oc1=O)C1CCCCC1 122394 FYLJCVRDHUVZFF-UHFFFAOYSA-N 329.396 3.596 0 50 EHAA biogenic Cn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccn1 352147 XTONIEHWHJPYCB-UHFFFAOYSA-N 334.807 3.962 0 50 EHAA O=C(O)CC1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 548213 NIDKBNQBLXAVOC-INIZCTEOSA-N 343.766 3.715 0 50 EHAA Cc1ccccc1Cn1c(CCNC(=O)C(C)C)nc2ccccc21 560846 IEZJFWYMAZIUMZ-UHFFFAOYSA-N 335.451 3.708 0 50 EHAA COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 611315 ASNNDKDLFPYHMT-UHFFFAOYSA-N 345.342 3.823 0 50 EHAA Cc1cc(OC(=O)c2ccccc2Cl)ccc1N1C(=O)CCC1=O 612823 RKVRTINTPCSIAM-UHFFFAOYSA-N 343.766 3.521 0 50 EHAA CC(C)c1ccc(O)c(NC(=S)NC(=O)CCc2ccccc2)c1 614555 RNEKLAKLZAYZOO-UHFFFAOYSA-N 342.464 3.961 0 50 EHAA COc1ccc(-c2nnc(NC(=O)c3csc(C)c3)s2)cc1 1055929 KAJGSANKYHSOKQ-UHFFFAOYSA-N 331.422 3.836 0 50 EHAA Cc1cccc(N2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)c1 2906132 FZOHJAQRNRLTIY-PFONDFGASA-N 336.372 3.558 0 50 EHAA CSc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1 3017333 KNALSEPUNQLGIN-UHFFFAOYSA-N 345.555 3.753 0 50 EHAA CCc1ccc(N2C(=O)C(Cl)=C(N3CCCC[C@H]3CC)C2=O)cc1 4041090 VEKJAOAJQVZUOT-CQSZACIVSA-N 346.858 3.837 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 4488925 LNOKPZBZUKFIGW-LBPRGKRZSA-N 342.222 3.823 0 50 EHAA COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1C(=O)O 4649206 QWCABGLFMSZSGN-UHFFFAOYSA-N 340.162 3.953 0 50 EHAA CCc1c(C)sc(NC(=O)[C@H](CC)Oc2ccccc2)c1C(N)=O 6122951 ILLDHQNNNPGKBT-AWEZNQCLSA-N 346.452 3.514 0 50 EHAA COc1ccccc1CC(=O)Nc1ccc(CN2CCCCC2)cc1 6729303 GFCWFHSROUHLQU-UHFFFAOYSA-N 338.451 3.862 0 50 EHAA CC[C@H](NC(=O)c1cc(OC)c(OC)cc1OC)c1ccccc1 6742642 DLBDLDBAMXIVDE-HNNXBMFYSA-N 329.396 3.594 0 50 EHAA O=C(c1cn(C2CCCCC2)nn1)N1CCCC[C@@H]1c1ccccn1 11667859 CCWNIAWRLOOVCQ-GOSISDBHSA-N 339.443 3.546 0 50 EHAA CN(C(=O)c1ccc(NC(=O)c2ccncc2)cc1)c1ccccc1 12406019 SWJKEJFGRNATJK-UHFFFAOYSA-N 331.375 3.611 0 50 EHAA CCn1ccnc1CN1CCC[C@H](CCc2ccc(OC)cc2)C1 12445589 VDAGUOTXSRDZCI-GOSISDBHSA-N 327.472 3.756 0 50 EHAA O=C(C[C@H](c1ccc(O)cc1)c1cccc(O)c1)N1CCCCC1 12458930 VBWGBMFDHMXEHQ-LJQANCHMSA-N 325.408 3.632 0 50 EHAA Cn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19790097 GXLWAPRPPMYBOD-UHFFFAOYSA-N 334.206 3.649 0 50 EHAA COc1ccccc1N1C[C@H](c2nc(-c3cccs3)c[nH]2)CC1=O 23231710 YGTTWDUISUOLOX-GFCCVEGCSA-N 339.420 3.667 0 50 EHAA CCSc1ccccc1NS(=O)(=O)c1cc(F)ccc1OC 65363281 MSHCXDGMDNPYDX-UHFFFAOYSA-N 341.429 3.747 0 50 EHAA O[C@@H]1CN(Cc2cccc3cccnc23)CC[C@H]1c1ccc(F)cc1 65462230 CWTTWGGPGOCNBL-VQTJNVASSA-N 336.410 3.724 0 50 EHAA Cc1cnccc1-n1nc(C2CC2)nc1-c1c[nH]nc1-c1ccccc1 67654911 JQHNXJMORODALZ-UHFFFAOYSA-N 342.406 3.905 0 50 EHAA Fc1cccc(-c2nccn2Cc2noc(Cc3ccccc3)n2)c1 67754594 QKGZSFALBNJYKA-UHFFFAOYSA-N 334.354 3.711 0 50 EHAA COc1ccc(-c2nc(CN3CCC[C@H]3C)c(C)o2)c(OC)c1C 67964949 KZMYFSLQBJMDDF-GFCCVEGCSA-N 330.428 3.960 0 50 EHAA Cc1ccc(-c2ccnc(N[C@@H](C)c3nc(C(C)C)no3)n2)c(C)n1 71614082 CNXYJRQMYANJNE-ZDUSSCGKSA-N 338.415 3.835 0 50 EHAA CC(C)(N)C(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 71738824 FORXSTDSYMDPJJ-CQSZACIVSA-N 342.405 3.614 0 50 EHAA CC(C)(C)c1oc(C(N)=O)cc1CN1CCCC[C@H]1c1ccccn1 72154968 KVMXYAWXCUJLPB-INIZCTEOSA-N 341.455 3.798 0 50 EHAA CCCN1C(=O)CC[C@H]2CN(C(=O)c3cc(C(C)C)oc3C)CC[C@H]21 72429143 DJTAFATUBOVFTD-DOTOQJQBSA-N 346.471 3.575 0 50 EHAA COc1cccc(CCC(=O)Nc2cccc(CN3CCCC3)c2)c1 73740700 SQWCJSHDHRHEHL-UHFFFAOYSA-N 338.451 3.862 0 50 EHAA c1ccc(-c2ccc(N3CCC[C@H](OCc4ccccn4)C3)nn2)cc1 77486199 MNDLKHJJLUWLAE-IBGZPJMESA-N 346.434 3.724 0 50 EHAA CSCc1ccc(C(=O)N2CCC[C@H]2c2nc(C(C)C)no2)o1 82127687 SAEIRFNCJIVNOA-LBPRGKRZSA-N 335.429 3.626 0 50 EHAA CCc1noc(CN(C(=O)c2cccc3cc(C)oc23)C(C)C)n1 97631983 GNYRYOMUVGUIBT-UHFFFAOYSA-N 327.384 3.737 0 50 EHAA C[C@@H](c1ccc(C(=O)NCCCOC2CCCC2)o1)N1CCCCC1 97679933 LMSHYMVPHOPZQY-INIZCTEOSA-N 348.487 3.906 0 50 EHAA c1coc(-c2noc(CN3CCC(c4nc5ccccc5[nH]4)CC3)n2)c1 109764910 YOCUVOYBYPHQNU-UHFFFAOYSA-N 349.394 3.586 0 50 EHAA Cc1c(F)cc(C(N)=O)cc1NCc1ncc(-c2ccc(F)cc2)o1 111186484 PUOKADRTGQRTTK-UHFFFAOYSA-N 343.333 3.639 0 50 EHAA COc1ccccc1-c1nn(C)cc1C(=O)N(C)[C@@H](C)c1ccccc1 170618333 LDGKKJMAUKKMQC-HNNXBMFYSA-N 349.434 3.929 0 50 EHAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1O 170623992 KHGSAPGZRRBSCR-UHFFFAOYSA-N 335.425 3.633 0 50 EHAA COc1ccc2sc(C(=O)N3CCCN(C4CC4)CC3)c(C)c2c1 173336705 BBMASSIFYATKJO-UHFFFAOYSA-N 344.480 3.529 0 50 EHAA COc1cccc(CNC(=O)N2CCCC[C@H]2c2ccc(C)cc2)n1 174470879 DEVVGZSIPVFDGK-SFHVURJKSA-N 339.439 3.835 0 50 EHAA CNC[C@H]1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 179001323 OUEUOMIYXLGFBR-CQSZACIVSA-N 328.843 3.689 0 50 EHAA COc1cc(Cl)c(C)cc1NCc1cc(-c2cnn(C)c2C)no1 185046172 FNJHNURHNMISIQ-UHFFFAOYSA-N 346.818 3.966 0 50 EHAA Cc1cc(-n2ccnc2)ccc1CN[C@@H](C)c1ccc2c(c1)OCO2 192148993 FYLQYIIUZNJPAK-HNNXBMFYSA-N 335.407 3.760 0 50 EHAA Cc1cc([C@H]2CCCCN2Cc2cc3ccccc3n(C)c2=O)no1 215460569 BJFAZSYANWXIQH-LJQANCHMSA-N 337.423 3.562 0 50 EHAA CC(C)n1cc(CN2C[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cn1 216195678 SEKMHXLMHKMIGB-CTNGQTDRSA-N 338.499 3.560 0 50 EHAA CCO[C@@H](C)c1nc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)cs1 229923408 LPWLJCWMMXIMCA-UONOGXRCSA-N 334.489 3.652 0 50 EHAA Cc1ccc2cc(C(=O)N3CCC[C@H](CCC(=O)O)C3)c(C)nc2c1 237888379 IWOJFXYNLXJRIH-OAHLLOKOSA-N 340.423 3.569 0 50 EHAA O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC12CCNCC2 238013849 UFGPAUUQJBQULD-NRFANRHFSA-N 348.490 3.715 0 50 EHAA CC(C)(C)c1cnc(CNC2CCC(O)(c3cccnc3)CC2)s1 241926416 UGBIDPLORCJWLY-UHFFFAOYSA-N 345.512 3.756 0 50 EHAA CCCOc1ccc(CNC(=O)N2CCC[C@@H](COCC)C2)c(C)c1 242317042 YWVKBEUOMUNKDR-QGZVFWFLSA-N 348.487 3.742 0 50 EHAA CCOC(=O)[C@@H]1CC[C@@H](Nc2cccc(-c3nnco3)c2)C[C@H]1C 252516921 XWXCYSKGPLMKRD-DAXOMENPSA-N 329.400 3.516 0 50 EHAA CC1(C)CN(C(=O)c2noc3c2CCCCC3)CC2(CCCC2)O1 252572035 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O=C(NC1(c2csc(-c3ccncc3)n2)CCCC1)C(F)(F)F 408519649 LNSASZVHQPFPNN-UHFFFAOYSA-N 341.358 3.653 0 50 EHAA COc1ccc([C@@H]2CCCN2c2ncnc3c2CCCC3)cc1F 664368756 VPQNMCCRQPTODS-KRWDZBQOSA-N 327.403 3.845 0 50 EHAA CCc1onc(C)c1NC(=O)NCc1cccc(OC2CC2)c1F 666460594 IUZIJVDIMMYUPH-UHFFFAOYSA-N 333.363 3.547 0 50 EHAA Cc1cccc(Cn2cc(-c3c(C)noc3C)nn2)c1Br 900607402 JCOFAHUQCTVJHM-UHFFFAOYSA-N 347.216 3.669 0 50 EHAA COc1ccc(/C=C/CN[C@@H](C)CN2CCc3ccccc3C2)cc1 952863515 WSWIZZDTAHPISB-QWNKOJSDSA-N 336.479 3.745 0 50 EHAA Cc1ccc2nc(CN3CCC([C@H](O)c4cccs4)CC3)cn2c1 1529161608 MGMUNENRRPZATJ-IBGZPJMESA-N 341.480 3.650 0 50 EHAA c1ccc2c3c([nH]c2c1)C1(CCN(c2nccs2)CC1)OCC3 1704329169 OAFZPQCBBBVTQA-UHFFFAOYSA-N 325.437 3.693 0 50 EHAA CC[C@@H](C)n1nccc1C(=O)N(CC)c1nnc(C)c2ccccc12 1875276113 QDHFXUPTOZXJCK-CYBMUJFWSA-N 337.427 3.772 0 50 EHAA COc1ccc2c(c1)C[C@H](C)N(C(=O)[C@@H]1CCC(C)(C)CO1)[C@H]2C 1875358204 MZOXRVXAETZXRA-DEYYWGMASA-N 331.456 3.735 0 50 EHAA Cc1cc2ncn(CCCCOC(=O)c3cncs3)c2cc1C 2325774984 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CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(CC)cc1)C2 2469569 AOJRZUANUBQBMT-OAHLLOKOSA-N 325.408 3.975 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 2564715 UGZIQCCPEDCGGN-NSHDSACASA-N 334.199 3.514 0 50 EHAA in-vitro COc1cccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 2854987 SRECFFJFFLEDHB-UHFFFAOYSA-N 345.830 3.703 0 50 EHAA C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc(Cl)cc1Cl 5611380 WIYQPGDOIYFSQF-MBNYWOFBSA-N 332.271 3.996 0 50 EHAA COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1OC 6699223 ACYAEMAKHIMZOH-GJZGRUSLSA-N 343.423 3.657 0 50 EHAA O=C(NCCNc1ccnc2cc(Cl)ccc12)c1ccccc1F 6747453 NIAQVDJOGMHEEB-UHFFFAOYSA-N 343.789 3.869 0 50 EHAA COc1ccccc1OCCNC(=O)Nc1ccc(C)cc1Cl 9875225 LICNFIPGYRNSBX-UHFFFAOYSA-N 334.803 3.858 0 50 EHAA O=C(c1cccnc1)N1CCC[C@H](CCc2c(F)cccc2F)C1 11932876 CWXJNIVAHYORFQ-CQSZACIVSA-N 330.378 3.845 0 50 EHAA O=C1CC[C@H](CCNCc2ccccc2)N1CCc1ccccc1F 12036974 BOUUIBAYGADOBG-LJQANCHMSA-N 340.442 3.539 0 50 EHAA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3ccon3)C2)c1 12385634 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CC[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1F)c1cnn(C)c1 96152488 SUIHDWAWXHLYCW-LBPRGKRZSA-N 344.312 3.851 0 50 EHAA O=C(CCn1cnc2ccccc21)NCCCc1ccccc1Cl 107279064 WVJTYURMVBBFOW-UHFFFAOYSA-N 341.842 3.829 0 50 EHAA Cc1nc(CC(C)C)c(NC(=O)N2CCC(c3ccn[nH]3)CC2)s1 135446518 XARROLUOMPHRKQ-UHFFFAOYSA-N 347.488 3.785 0 50 EHAA Cc1cc(CC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)n[nH]1 163994170 VWCWWJDUWRNLGV-UHFFFAOYSA-N 349.887 3.697 0 50 EHAA CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1ccsc1 174910101 PFTCKINYHIYRLH-UHFFFAOYSA-N 329.469 3.522 0 50 EHAA FC(F)(F)c1cnc(N2CCC[C@H]2CN2CCCC2)c(Cl)c1 189082380 CGHRSDRRPVPVEF-LBPRGKRZSA-N 333.785 3.818 0 50 EHAA O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)C1CCC(F)(F)CC1 191127139 WQIBLILKRDWRPJ-GFCCVEGCSA-N 349.736 3.547 0 50 EHAA Brc1ccc(CN2CCSC[C@@H]2c2nccs2)o1 191504566 LEXSKTDBZHATTR-SNVBAGLBSA-N 345.287 3.789 0 50 EHAA Cc1nccn1CCn1ccc(-c2cccc(-c3ccncc3)c2)n1 200568940 ALCJEXZCTOPGIN-UHFFFAOYSA-N 329.407 3.817 0 50 EHAA O=C(N[C@@H]1CCN2CCCC[C@@H]12)C(c1ccccc1)c1ccccc1 222089781 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0 50 EHAA COc1ccc(F)cc1-c1ccc(C(=O)NCC[C@@H](C)OC)cc1 426431028 ONZIQCFEBAUXPO-CYBMUJFWSA-N 331.387 3.656 0 50 EHAA CCc1c(-c2ccc(C(=O)NCCSC(C)(C)C)cc2)cnn1C 584896131 KJQDIGJKJRWHHD-UHFFFAOYSA-N 345.512 3.911 0 50 EHAA CCn1nc(C)c([C@H](C)NC(=O)c2cc(-c3ccccc3)no2)c1C 823593380 KUGGOLUZBFWLOS-LBPRGKRZSA-N 338.411 3.666 0 50 EHAA O=C1COc2ccc(CN[C@@H]3CC[C@H](c4ccccc4F)C3)cc2N1 885810235 PZBQIOJDRWUGDQ-LSDHHAIUSA-N 340.398 3.583 0 50 EHAA O=C(c1cc(-c2ccccc2Cl)on1)N1CCOC[C@@H]1CC1CC1 886460300 LTCKTHZFSHUDIX-ZDUSSCGKSA-N 346.814 3.636 0 50 EHAA Cc1ccc([C@H]2CCCCN2C(=O)c2cn(CC(F)F)nc2C)o1 933448994 CXFHLXKYMMRSKE-CQSZACIVSA-N 337.370 3.725 0 50 EHAA Cc1cc(F)ccc1N1CCC(N2CCC3(CCN(C)C3)CC2)CC1 1506415822 QGAIOVDDKSOGIZ-UHFFFAOYSA-N 345.506 3.521 0 50 EHAA CN(CC[C@@H]1CCCCO1)C(=O)Cc1ccc(C(F)(F)F)cc1 1506418421 XWJAEYHCMDZDAP-HNNXBMFYSA-N 329.362 3.666 0 50 EHAA CCN(Cc1ccc2cc(NC(C)=O)ccc2n1)C[C@H]1CCCCO1 1506425375 OPLXNHSBCMATJQ-LJQANCHMSA-N 341.455 3.584 0 50 EHAA CCc1ccc(CN2CCN3[C@@H](c4ccccc4)COC[C@H]3C2)s1 1529195204 HEJQIQMKMGZDBE-YLJYHZDGSA-N 342.508 3.568 0 50 EHAA C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1ccc(F)c(O)c1 1772704440 IUHBIYJRTREBFZ-GFCCVEGCSA-N 339.370 3.755 0 50 EHAA CC[C@@]12C[C@H]1CN(C(=O)C1(c3ccc(OC)c(OC)c3)CCCC1)C2 1772808648 XALBUKMPVHEEFQ-JXFKEZNVSA-N 343.467 3.774 0 50 EHAA Cc1csc(-c2cnc(C=Cc3ccnn3C(C)C)nc2O)n1 1857533205 DEYPZSNYQJGNFQ-UHFFFAOYSA-N 327.413 3.562 0 50 EHAA C[C@@H](C=C1CCCCC1)Nc1cnn(Cc2nnc3n2CCCC3)c1 1875285046 BBTCYDAQKDUANW-HNNXBMFYSA-N 340.475 3.550 0 50 EHAA Cc1c(F)cccc1C(=O)NCCCC[C@H](CC(F)(F)F)C(=O)O 1875292015 UATAJUOOIQXHCP-LLVKDONJSA-N 349.324 3.687 0 50 EHAA Cc1cc(C(F)(F)C(=O)N2CCC3(CCC[C@H]3CN)CC2)cs1 1875301353 GLQOXIRLKQEBCL-ZDUSSCGKSA-N 342.455 3.516 0 50 EHAA Oc1cccc([C@@H]2CCCN(c3noc(-c4ccccc4)n3)C2)c1F 1875338891 PKINLHBZLXVZKS-CQSZACIVSA-N 339.370 3.965 0 50 EHAA O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(F)cc1 452472 KTFIRLQKWORKMR-UHFFFAOYSA-N 342.317 3.971 0 50 EHAA 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GAFAHCNNRPVCOP-CQSZACIVSA-N 326.259 3.676 0 50 EHAA Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(F)c2)c1 20402046 QJZVLIVQLFPENK-SFHVURJKSA-N 340.398 3.686 0 50 EHAA CCCC(=O)Nc1ccc(CC(=O)N[C@@H](C)Cc2ccsc2)cc1 55132056 KZESQWFSZPQYJO-AWEZNQCLSA-N 344.480 3.777 0 50 EHAA CC[C@@H]1C(=O)NCCN1Cc1nc(-c2cccc3ccccc23)oc1C 55343913 SBDWUKVQPRCEHB-LJQANCHMSA-N 349.434 3.514 0 50 EHAA Cc1ccc(N[C@](C)(C(=O)NCc2cc(C)n[nH]2)c2ccccc2)cc1 55357663 SVLZYOVEFYUALQ-NRFANRHFSA-N 348.450 3.670 0 50 EHAA Cc1cccc(CC2(NC(=O)[C@@H](C)n3ccnc3C(C)C)CC2)c1 65421201 LILREQZQMIQCPI-MRXNPFEDSA-N 325.456 3.767 0 50 EHAA COc1ccc2cc([C@H]3CN(c4nccnc4C)CCO3)ccc2c1 71763565 PRBNLMIINPMBTE-LJQANCHMSA-N 335.407 3.525 0 50 EHAA CC[C@@H](Nc1nccc(-c2cc(C(=O)O)ccn2)n1)c1cc(C)ccn1 72408504 UWEJOBUOXZQSQP-CQSZACIVSA-N 349.394 3.503 0 50 EHAA Cc1cc(C(=O)NCC[C@H](C)n2ccnc2)c2ccc(C)c(C)c2n1 77342488 LFQLVFYKOKINKZ-HNNXBMFYSA-N 336.439 3.738 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1cc(C)cc(C)c1)[C@H]2C(=O)O 100629361 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334.441 3.533 0 50 EHAA CCc1nc(C)c(CN2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)[nH]1 1875248166 AKHPQDOKTQAXPO-MOPGFXCFSA-N 327.472 3.879 0 50 EHAA O=C(O)[C@H]1CC[C@H](C(F)(F)F)N1Cc1ccc(F)c(Cl)c1F 1875290992 KZBQJNQSSOLWLW-RKDXNWHRSA-N 343.679 3.598 0 50 EHAA O=C1C(Cl)=C(N2CCCCCC2)C(=O)N1c1cccc(Cl)c1 122044 ZSQXBXBJEORHNN-UHFFFAOYSA-N 339.222 3.540 0 50 EHAA CCc1nc2ccccc2n1C[C@H](O)COc1cccc(Cl)c1 243110 QHFSPAIIKVUVEU-AWEZNQCLSA-N 330.815 3.692 0 50 EHAA Cc1cccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)c1 467209 JDPDFXLPCVOESS-UHFFFAOYSA-N 327.391 3.818 0 50 EHAA CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 2058677 HGSRFHZRKJVQAW-HNNXBMFYSA-N 336.819 3.653 0 50 EHAA Cc1ccc(NC(=S)Nc2cnn(Cc3ccccc3C)c2)nc1 2799020 OOCLQAAQEGICIY-UHFFFAOYSA-N 337.452 3.752 0 50 EHAA O=C(COc1ccccc1Cl)Nc1ccc(Br)cn1 4842259 QWYJIOFTSKDMPH-UHFFFAOYSA-N 341.592 3.515 0 50 EHAA C[C@H](SCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 5880829 PAXLGQGYLLJKAE-ZDUSSCGKSA-N 329.421 3.718 0 50 EHAA COCc1ccc(CN2CCC[C@](CO)(Cc3ccccc3C)C2)o1 13593786 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CN(CCC[C@H]1CCCO1)C(=O)c1ccc(CN2CCCCC2)cc1 65404326 GWXQHMDLEXEUBZ-FQEVSTJZSA-N 344.499 3.704 0 50 EHAA O=C(CCc1cccnc1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65436174 WZXVBVKIZGPNJL-JOCHJYFZSA-N 348.446 3.871 0 50 EHAA COc1ccc(-c2nc(CN3CCOCC3)c(C)o2)c2ccccc12 67696737 IHTGVCDKRIWNTA-UHFFFAOYSA-N 338.407 3.644 0 50 EHAA CC(=O)NCC[C@H]1CCCN(Cc2cccc3c(C)c(C)[nH]c23)C1 67878446 TVNRUHVCOXOXRF-QGZVFWFLSA-N 327.472 3.523 0 50 EHAA Cc1nccn1C[C@H]1CCCN(Cc2c(Cl)cncc2Cl)C1 72146468 ANNIWIPIAVGBCF-ZDUSSCGKSA-N 339.270 3.806 0 50 EHAA Cc1ccc([C@H](C)NC(=O)c2ccc(CCC(C)(C)O)cc2)cn1 72480407 OANQMXXBWFJNBA-HNNXBMFYSA-N 326.440 3.585 0 50 EHAA Cc1cc(C)c2[nH]c(C(=O)N3CC(N4CCCC[C@H]4C)C3)c(C)c2c1 91526799 QDIDDJRPXVPRED-OAHLLOKOSA-N 339.483 3.792 0 50 EHAA O=C(NCc1ccc2[nH]ccc2c1)c1c[nH]nc1-c1cccc(F)c1 91585884 NZSGCDPQTGVKNO-UHFFFAOYSA-N 334.354 3.627 0 50 EHAA Cc1nnc([C@H](C)NC(=O)c2ccc(-c3ccccc3Cl)o2)o1 91724885 ABLLIHABBPEMGL-VIFPVBQESA-N 331.759 3.782 0 50 EHAA COc1ccc([C@@H]2CN(c3ccnc4ccccc34)C[C@H]2N(C)C)cc1 95365436 UJHUINGLSXYOFN-SIKLNZKXSA-N 347.462 3.777 0 50 EHAA C[C@H](c1cncs1)N(C)C(=O)c1ccc(CN2CCCCC2)cc1 95516514 AUGCQWVNZCFVSK-OAHLLOKOSA-N 343.496 3.962 0 50 EHAA COc1cc(CNC(=O)c2cccc(-c3ccc(O)cc3)c2)ccc1O 97334288 IRTJLESNZZDEDP-UHFFFAOYSA-N 349.386 3.703 0 50 EHAA CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)C)cc1 101359439 FKHDYDYCAMBLJJ-CAMMJAKZSA-N 337.419 3.733 0 50 EHAA CCC[C@](C)(O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C 122413519 YDWFUHYILZNOSF-FQEVSTJZSA-N 340.423 3.737 0 50 EHAA C[C@@H](c1cn(-c2ccccc2)nn1)[S@@](=O)C/C=C/c1ccccc1 155613198 UORCRESFCRVOMU-ZSCAYSGISA-N 337.448 3.790 0 50 EHAA C/C=C/C[C@@H](CO)NC(=O)CCCOc1ccc(Cl)cc1Cl 170598466 LBJVQZBLHDJOJZ-IBUXWKBASA-N 346.254 3.596 0 50 EHAA CCOc1ccc(NC(=O)N2CCC(C(F)(F)F)CC2)cc1OC 174633453 XKFOHSCUNGFLJF-UHFFFAOYSA-N 346.349 3.900 0 50 EHAA C[C@H](NCc1ccc(Cl)cn1)c1cccc(N2CCCC2=O)c1 182118217 BRPCRRLPRXLQGC-ZDUSSCGKSA-N 329.831 3.713 0 50 EHAA Cc1nc(C)c(CC(=O)N(C)CCn2c(C)cc3ccccc32)s1 216077329 QITXGCVCLGDERM-UHFFFAOYSA-N 341.480 3.724 0 50 EHAA O=C(O)CC1(c2ccc3ccccc3c2)C(=O)c2ccccc2C1=O 220134385 MBVOZCQEVMTCLC-UHFFFAOYSA-N 330.339 3.632 0 50 EHAA C[C@@]1(CNC(=O)C2CCCCC2)CCN(C(=O)C2CCCCC2)C1 225669450 MCWHGBZIIJCFHJ-FQEVSTJZSA-N 334.504 3.502 0 50 EHAA C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1ccccc1)c1ccccc1 241653318 PUERSTCNBRKEBJ-KNTRFNDTSA-N 348.446 3.557 0 50 EHAA CC(C)CN(C[C@@H](O)c1ccccc1)[C@H](C)c1nc(C2CC2)no1 248237424 MZKVMPOGWXOPGN-RHSMWYFYSA-N 329.444 3.700 0 50 EHAA Cc1ccc(CN(C)C(=O)N[C@H]2CCCc3cc(F)ccc32)nc1 252491989 MASNKYQQTYYQFK-SFHVURJKSA-N 327.403 3.748 0 50 EHAA CN1CCC[C@@H](CNC(=O)c2cc[nH]c2C2CC2)[C@@H]1c1cccs1 252505093 VOHDCHOXDXSJAC-KBXCAEBGSA-N 343.496 3.767 0 50 EHAA CN(c1ccc(C(=O)NO[C@H]2CCCCO2)cc1)C1CCCCC1 253392308 NANOWZZIWDXGKN-SFHVURJKSA-N 332.444 3.644 0 50 EHAA CCC(=O)Nc1cccnc1SC[C@@H]1CCCN2CCCC[C@H]12 253408233 KNOFQEOCUDMJBE-GOEBONIOSA-N 333.501 3.787 0 50 EHAA biogenic CC(C)[C@@H]1C[C@H](CC(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)CCO1 272826461 WYTGACTUVBMAJL-KVPLUYHFSA-N 345.483 3.816 0 50 EHAA CC(C)c1noc([C@H](Nc2nc3ccccc3o2)C2CCOCC2)n1 275340276 KSUONLIXHLVQOH-OAHLLOKOSA-N 342.399 3.914 0 50 EHAA Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1c[nH]c(C(F)(F)F)c1 292433132 LXDAYJJNQFRLNH-VIFPVBQESA-N 342.365 3.784 0 50 EHAA C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccccn1 339425700 MFPHIBLXPJJVNW-VHSSKADRSA-N 343.402 3.501 0 50 EHAA c1csc(-c2cc(-c3nc(-c4n[nH]c5ccccc45)no3)n[nH]2)c1 356809065 PZFYZCNOFITMPX-UHFFFAOYSA-N 334.364 3.732 0 50 EHAA COc1ccc2c(c1)OCCN([C@@H](C)c1ncc(C(C)(C)C)o1)C2 374857136 QVILIHMDXLJZBS-ZDUSSCGKSA-N 330.428 3.936 0 50 EHAA Cc1cc(-c2cccc(C(=O)N(C)Cc3c[nH]nc3C)c2)cc(C)n1 426724062 XBADRYVWGIDVKM-UHFFFAOYSA-N 334.423 3.669 0 50 EHAA c1ccc(CN(c2cc([C@@H]3CCOC3)ncn2)C2CCCCC2)nc1 426746058 GANJFSJNTJHZGY-MRXNPFEDSA-N 338.455 3.715 0 50 EHAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1onc2c1CCCC2 825205229 YHTANFSHLNURAM-INIZCTEOSA-N 340.423 3.894 0 50 EHAA CC(C)(O)CCc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cc1 828157199 RBTWQTKPDFEYQN-UHFFFAOYSA-N 349.434 3.828 0 50 EHAA CN(CCN(C)C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1 952977444 XSYMAGZWGXRTAR-UHFFFAOYSA-N 328.378 3.652 0 50 EHAA COc1c(F)ccc(C(=O)Nc2cc(C)c3nc(N)sc3c2)c1F 952991353 OHKCYHJGHKLFKW-UHFFFAOYSA-N 349.362 3.726 0 50 EHAA COc1ccc(OC(F)F)c(CN[C@@H](C)c2csnc2C)c1 1775993724 IKXBZPADSWEJAZ-VIFPVBQESA-N 328.384 3.912 0 50 EHAA O=C(NCCN1CCCCC1)c1ccc(-c2ccc(F)cc2)cc1 1875359602 KPPDIEQSYRHGCU-UHFFFAOYSA-N 326.415 3.708 0 50 EHAA Clc1cc(-c2nc(-c3ccc4c(c3)OCO4)no2)cc2c1OCO2 2325726180 BJHSHJUXNXANHW-UHFFFAOYSA-N 344.710 3.514 0 50 EHAA CN(Cc1ccccc1)CC1CCN(c2ccc3cccnc3n2)CC1 2325858505 PZHUWYQMCKOJTQ-UHFFFAOYSA-N 346.478 3.978 0 50 EHAA COC(=O)c1cn(C(=O)COc2ccccc2Cl)c2ccccc12 87082 GFYPNMZUKHETNI-UHFFFAOYSA-N 343.766 3.801 0 50 EHAA Cc1ccc(C)c(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 121833 XGARIRPBSADPSK-UHFFFAOYSA-N 340.810 3.735 0 50 EHAA O=C(CCc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 218553 KLTAUWKWTAIYDF-UHFFFAOYSA-N 328.843 3.621 0 50 EHAA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1CO 282052 OSLSGUOIVBAQMW-SNVBAGLBSA-N 340.206 3.892 0 50 EHAA Cc1cc(C)cc(NC(=S)N2CCN(c3ccccc3)CC2)c1 305884 IREIJIFXVYSSGJ-UHFFFAOYSA-N 325.481 3.822 0 50 EHAA COc1ccccc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 342091 YWINXTMXONTKHT-UHFFFAOYSA-N 344.436 3.609 0 50 EHAA NC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCCCC2 433610 KIDBIYTUKNUSFT-UHFFFAOYSA-N 329.425 3.760 0 50 EHAA CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1ccccc1 439589 SVDRBGCCJFYNLG-NQIIRXRSSA-N 334.419 3.955 0 50 EHAA COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Cc2ccccc2)c1 451063 KEWZTUOWSJBQDK-LSDHHAIUSA-N 327.424 3.760 0 50 EHAA O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1 474883 ONICURNTUNKYCD-UHFFFAOYSA-N 349.261 3.885 0 50 EHAA O=C(NCCn1cc(Cl)cn1)Nc1cccc(Cl)c1Cl 610724 KZKDICZPCNMYOE-UHFFFAOYSA-N 333.606 3.665 0 50 EHAA CC(C)(C)c1ccccc1OCCOCCSc1ncccn1 2825434 YUOJAQKQVKIORQ-UHFFFAOYSA-N 332.469 3.962 0 50 EHAA CCc1nnc(NC(=O)c2ccoc2COc2ccccc2)s1 5033036 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Cc1cccc(N2CCN(Cc3coc4ccccc4c3=O)CC2)c1C 55543685 ULLLOGWCYAKWLN-UHFFFAOYSA-N 348.446 3.732 0 50 EHAA O=C(CCN1CCCC[C@@H]1c1ccc(F)cc1)NCc1ccco1 65371157 KTGQYVAGBXAITC-GOSISDBHSA-N 330.403 3.652 0 50 EHAA CC(C)c1ccc(N2CCC(CO)(Cc3cccc(F)c3)CC2)nn1 67726535 WADHXWOLXBTHQZ-UHFFFAOYSA-N 343.446 3.561 0 50 EHAA CCCN(Cc1ccccc1OC)C(=O)Cc1nc2ccccc2[nH]1 67743673 ISTVYJKMKYFPNC-UHFFFAOYSA-N 337.423 3.553 0 50 EHAA COc1cccc(-c2nc(CN3CC(c4ccncc4)C3)c(C)o2)c1 71746938 QQPXZPWFAXYJCD-UHFFFAOYSA-N 335.407 3.653 0 50 EHAA C[C@@H](Cn1ccnc1-c1ccnc2ccccc12)Oc1cccnc1 71775680 WINOWRXYVKRUSM-HNNXBMFYSA-N 330.391 3.961 0 50 EHAA CC(C)c1cc(N2CCC([C@@H](C)N3CCCC3)CC2)n2nccc2n1 72143964 OLFHRBPOILMWGG-MRXNPFEDSA-N 341.503 3.553 0 50 EHAA CCc1cc(NCc2cc(-c3cccc(OC)c3)on2)n2nccc2n1 72418270 UGTQJAHAXWJLKD-UHFFFAOYSA-N 349.394 3.567 0 50 EHAA Cc1nc[nH]c1CN1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 77286221 HRXUQPWXZUOYKB-OAHLLOKOSA-N 339.418 3.627 0 50 EHAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 77392826 WTAFHXWEMNSICI-HXUWFJFHSA-N 335.447 3.670 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)NCCc3cscn3)c2c1 77459016 ABXGZVPWVQFQKV-UHFFFAOYSA-N 325.437 3.589 0 50 EHAA CNc1nc(C(=O)N2CCCC[C@H]2CCc2cccs2)cs1 77471489 RWEQFMFIAMKERZ-LBPRGKRZSA-N 335.498 3.874 0 50 EHAA Cc1cccnc1C[C@H](C)N(C)C(=O)c1ccc2cccc(F)c2n1 91604071 ACUZGIPFISVUSZ-AWEZNQCLSA-N 337.398 3.781 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)NCc1ccc2c(c1)CCCO2 91808315 LJRXSSQXCDKFDE-UHFFFAOYSA-N 330.453 3.830 0 50 EHAA CCOc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CCCCCN1C 95382474 HQDAQUWIFUAOCR-MRXNPFEDSA-N 338.879 3.572 0 50 EHAA C[C@H](C(N)=O)n1cc(-c2ccc(SCc3ccccc3)cc2)cn1 96152485 NTHHEQKTKSLTCR-CQSZACIVSA-N 337.448 3.889 0 50 EHAA Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)Cc1ccccc1O 112116277 HBMYZAUZJNTONN-UHFFFAOYSA-N 340.423 3.866 0 50 EHAA O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1noc2c1CCCCC2 124956256 CFGUQQXFTGZOET-MNOVXSKESA-N 330.350 3.794 0 50 EHAA Cc1ccc([C@@H](C)NCCCS(=O)(=O)Cc2ccccc2)cc1C 127427781 GTQCYWHRLCUOAP-GOSISDBHSA-N 345.508 3.959 0 50 EHAA Cc1cc(NCc2noc(C3CCOCC3)n2)ccc1C(F)(F)F 154025903 FCWFXRCVDAOPLO-UHFFFAOYSA-N 341.333 3.903 0 50 EHAA Cc1ccc2c(O)c(C(=O)N3CCC[C@H](C(C)(C)C)CC3)cnc2n1 170629340 PVENYKJZXYKLRA-AWEZNQCLSA-N 341.455 3.932 0 50 EHAA COc1ccc(C(C)(C)C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 178440932 XQKOFIURWPXRJP-IBGZPJMESA-N 339.435 3.573 0 50 EHAA COc1ccc2c(CNC3(c4cccc(F)c4)CC3)cc(=O)oc2c1 179684972 LZICPCJCAKXMIG-UHFFFAOYSA-N 339.366 3.720 0 50 EHAA Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)NC1CCOCC1 193901917 GDOYPDQSNNKWRJ-ZDUSSCGKSA-N 345.468 3.658 0 50 EHAA CSc1ncc(CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cn1 223879719 ZOESAXVWTIPQAC-HNNXBMFYSA-N 331.460 3.792 0 50 EHAA CC(C)(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1 225851458 LFWOAJFSNBZZPA-UHFFFAOYSA-N 344.242 3.516 0 50 EHAA CCOc1ccccc1[C@H](CC)NC(=O)C[C@@H](N)c1ccccc1 236998797 ZPKBVCTZPPMKEN-MSOLQXFVSA-N 326.440 3.743 0 50 EHAA O=C(CCCc1c[nH]c2ccccc12)OCCc1cn2ccccc2n1 241316987 LWRCLWBEDSAUGM-UHFFFAOYSA-N 347.418 3.924 0 50 EHAA C[C@]12CCCC[C@@H]1CC[C@H]1[C@@H]3CC[C@@](O)(CNCCO)[C@@]3(C)CC[C@H]12 253497511 GLWKVBMAXIHLJD-CUCLYRJJSA-N 349.559 3.732 0 50 EHAA biogenic CCc1ccc([C@H]2COCCN2C(=O)c2cccc3cnccc23)o1 266656269 GFQBYHMOCQHUOJ-GOSISDBHSA-N 336.391 3.604 0 50 EHAA CC(C)c1nnc(CNC2(Cc3ccc(F)cc3)CCOCC2)s1 295243123 VKAFNHRRTDCZGN-UHFFFAOYSA-N 349.475 3.682 0 50 EHAA Cc1ccc(OCCN)c(C(=O)N(Cc2ccc(C)s2)C2CC2)c1 299755931 GKIIMISRAYJTKB-UHFFFAOYSA-N 344.480 3.507 0 50 EHAA Cc1cc(-n2nc(C)cc2NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)nc(C)n1 333902646 TYKHLJLEWGFFAG-BFQNTYOBSA-N 341.459 3.598 0 50 EHAA Cc1nc2cccc(-c3noc(-c4cc(-c5ccccc5)[nH]n4)n3)c2[nH]1 340680753 HPJYRSXZQREVEH-UHFFFAOYSA-N 342.362 3.978 0 50 EHAA Cc1nc(C)c(C)c(N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n1 351293887 YLEKUBWLIAQTJE-LBPRGKRZSA-N 339.365 3.528 0 50 EHAA NC(=O)C1(CNCc2ccc(Oc3cccc(F)c3)cc2)CCCC1 443993529 JVTMBWWMUPYEBB-UHFFFAOYSA-N 342.414 3.753 0 50 EHAA CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cn(-c2ccccc2)nn1 495126911 JYDGPIKFAWRRRC-LJQANCHMSA-N 334.423 3.737 0 50 EHAA CC(=O)Nc1ccccc1CC(=O)NC1(c2ccccc2F)CCC1 648537950 LMYUZAUWEQFUTD-UHFFFAOYSA-N 340.398 3.522 0 50 EHAA Cc1cc(CNC(=O)Nc2cccc(COc3ccccc3)c2)ncn1 757661969 DHACHDSZMJXLIR-UHFFFAOYSA-N 348.406 3.686 0 50 EHAA CCc1ccc(Cn2nc(C[C@H](C)CC)nc2C2(CO)CC2)cc1 822620068 WWNCLHBFFUMKNG-OAHLLOKOSA-N 327.472 3.501 0 50 EHAA CN1CCC(CNc2nc(-c3ccccn3)nc3sccc23)CC1 858382273 MYEKAABWWBYTHL-UHFFFAOYSA-N 339.468 3.507 0 50 EHAA CC[C@](C)(OC)c1noc(C2CC(O)(c3cccc(Cl)c3)C2)n1 896312971 ILPGILUXYQOAAX-BROWOHMESA-N 336.819 3.760 0 50 EHAA COc1ccc2c(NC(=O)[C@H](C)Sc3ccc(F)cc3)n[nH]c2c1 1139541466 TUNLQQVCCOMDSF-JTQLQIEISA-N 345.399 3.830 0 50 EHAA CNc1ncccc1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 1141292000 YLBMPWKKXSAFKO-UHFFFAOYSA-N 343.390 3.690 0 50 EHAA O=C(N[C@H]1C[C@@H](CF)C1)C(F)(F)c1ccccc1C(F)(F)F 1875302205 DMPYPTQEMCNXCW-DTORHVGOSA-N 325.252 3.662 0 50 EHAA O=C(OCc1ncoc1C(F)F)c1cc(Br)cs1 2325874440 MVVSOAJNUZDLPD-UHFFFAOYSA-N 338.129 3.793 0 50 EHAA COC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)cc1 142349 HCXIHXWGBJSSMP-UHFFFAOYSA-N 341.407 3.923 0 50 EHAA Cc1cccc(N2C(=O)c3ccc(NC(=O)C(C)C)cc3C2=O)c1C 454132 PVEIQCAPMOVUFQ-UHFFFAOYSA-N 336.391 3.699 0 50 EHAA FC(F)(F)c1cccc(NC(=S)NCCc2ccncc2)c1 615301 BXWQKIRTYISOOF-UHFFFAOYSA-N 325.359 3.630 0 50 EHAA COC(=O)[C@@H](C(=O)N1CCCc2ccccc21)C1CCCCCC1 616383 NKYBNIBFXZSLNU-GOSISDBHSA-N 329.440 3.725 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1cccc(C(F)(F)F)c1 2385887 ATUJVGXTABSYTK-GFCCVEGCSA-N 347.333 3.616 0 50 EHAA O=C(COc1ccccc1CO)Nc1ccc(Cl)c(Cl)c1 4838380 PGQDAGJQYFGCPP-UHFFFAOYSA-N 326.179 3.503 0 50 EHAA Cc1cc(C)n(C[C@H](C)NC(=O)c2oc3c(F)cccc3c2C)n1 12711262 PSEYBPVZRFZPRX-NSHDSACASA-N 329.375 3.512 0 50 EHAA COc1ccccc1N1CCN(C(=O)c2c(C)cc(C)cc2C)CC1 13323293 WOIJTEUUQNBZFF-UHFFFAOYSA-N 338.451 3.583 0 50 EHAA COc1ccc(NS(=O)(=O)Cc2ccccc2C)cc1Cl 16577424 FYYKIMFXJVWSFF-UHFFFAOYSA-N 325.817 3.599 0 50 EHAA O=S(=O)(c1cc(F)ccc1F)N1CCC[C@@H]1c1ccccc1F 35476444 ITQIXOAQYLBSQY-OAHLLOKOSA-N 341.354 3.630 0 50 EHAA CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(CN2CCCCC2)cc1 65404325 GWXQHMDLEXEUBZ-HXUWFJFHSA-N 344.499 3.704 0 50 EHAA COc1cc(-c2ccc([C@H](C)NC(C)=O)cc2)cc(OC)c1OC 67868404 FZYHVOMDEOPNMA-LBPRGKRZSA-N 329.396 3.577 0 50 EHAA COc1ccc2cc([C@@H]3CN(c4ccnc(C)n4)CCO3)ccc2c1 71405785 QXMKURWYCUWTEA-IBGZPJMESA-N 335.407 3.525 0 50 EHAA O=C(NCCCc1nc2ccccc2o1)c1ccc2cccc(F)c2n1 91807646 PGOIJZUWUSMMLW-UHFFFAOYSA-N 349.365 3.878 0 50 EHAA Cc1c(CNC(=O)c2cnc(-c3cccnc3)nc2)oc2ccccc12 95361930 ZFDWLZUOSZRCPQ-UHFFFAOYSA-N 344.374 3.523 0 50 EHAA O=C(c1ccc2oc(-c3cccc(F)c3)nc2c1)N1CCSCC1 95521056 LZIYPWVGRATSDE-UHFFFAOYSA-N 342.395 3.823 0 50 EHAA O=C1CCCc2cc(NC(=O)[C@@H]3CSc4ccccc43)ccc2N1 118223104 PNWWOIDSLFKIGY-OAHLLOKOSA-N 338.432 3.789 0 50 EHAA Cc1ccc(NC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c(C)n1 152184397 NLOIDXMBPGMRHJ-KDOFPFPSSA-N 325.412 3.692 0 50 EHAA C[C@@H]1CC[C@H](NC(=O)NCc2cccc(N(C)C)n2)c2ccccc21 162678416 MKVUWAOPJVPRNF-KDOFPFPSSA-N 338.455 3.585 0 50 EHAA CO[C@@H]1CCCC[C@H]1OC(=O)c1cc(C)n(-c2nccs2)c1C 170593111 SRMBAZHBHCFWHK-HUUCEWRRSA-N 334.441 3.665 0 50 EHAA C[C@H](NC(=O)C1(c2cccc(Cl)c2)CCCCC1)c1nc[nH]n1 174565231 GTQPQVPCFITAMF-LBPRGKRZSA-N 332.835 3.537 0 50 EHAA COc1cc(N2CCOC(C)(C)C2)ccc1NCC1(SC)CC1 225422413 ORFJZCYTZYIGTE-UHFFFAOYSA-N 336.501 3.618 0 50 EHAA Cc1cccc(Oc2ccc(NC(=O)C3(C(=O)N(C)C)CC3)cc2)c1 225702861 QCKVZQFNSZUSRQ-UHFFFAOYSA-N 338.407 3.594 0 50 EHAA COc1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O 239038453 DFGBJOCJIRNYHE-DSEDUUINSA-N 347.414 3.624 0 50 EHAA O[C@H]1C[C@@H]([C@H](NC2CCN(C3CCCC3)CC2)c2cccs2)C1 244641289 GMVZTGQPBDGPHH-YJLNNSPDSA-N 334.529 3.557 0 50 EHAA O=C(Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1)c1cccc(O)n1 253630026 KQEUSEYREWPAEY-UHFFFAOYSA-N 348.337 3.722 0 50 EHAA C[C@@H](c1nnc(-c2ccccc2)o1)N1CCCC[C@H]1Cn1cccn1 257365678 FYJMLROVGZYTSJ-RDJZCZTQSA-N 337.427 3.549 0 50 EHAA COc1ccc2c(c1)N(C(=O)c1nnc(C(C)C)s1)CCCC2 425105201 DPZNVLWHAYUKQX-UHFFFAOYSA-N 331.441 3.653 0 50 EHAA CO[C@@H]1CCCN(C(=O)c2ccc(-c3ccsc3C(C)=O)cc2)C1 426486044 HIGBBEMLJXLDJY-MRXNPFEDSA-N 343.448 3.869 0 50 EHAA CC(=O)NC(C)(C)C[C@H](C)NCc1ccc(C(F)(F)F)cc1F 1506399911 ROIUAYLCUWHHNX-JTQLQIEISA-N 334.357 3.627 0 50 EHAA CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)CCCN1CCCC1 1506403889 ZUEDUXORULIVSO-OAQYLSRUSA-N 328.500 3.689 0 50 EHAA CN(CCOc1ccccc1Br)C(=O)OC(C)(C)C 1772572584 AXMPHHUJNNUVPP-UHFFFAOYSA-N 330.222 3.695 0 50 EHAA O=C(OCc1ccccc1C(F)(F)F)[C@@]12OCCC[C@H]1C2(F)F 1875267231 ZCMNLQPDEYGXPG-YPMHNXCESA-N 336.256 3.563 0 50 EHAA Cn1cc(-c2ccc(F)c(C(=O)N[C@H]3C[C@@H]3C3CCCC3)c2)cn1 1875272400 YCUQFVPBGIKVAH-QAPCUYQASA-N 327.403 3.535 0 50 EHAA Cc1ccc(-c2ccc(NC(=O)[C@H]3CCOC(C)(C)C3)nc2)cn1 1875276068 JMUGSBIEYHZONH-AWEZNQCLSA-N 325.412 3.596 0 50 EHAA CCOC[C@@H](Cc1ccc(F)cc1F)N[C@H](C)CCc1ccccn1 1875359836 RDXUGEKOABOUIT-DNVCBOLYSA-N 348.437 3.918 0 50 EHAA COc1cccc(CN2CCC[C@H](c3nc(C(=O)O)cs3)C2)c1C 2325787241 MCAFPNDUTLBVGO-AWEZNQCLSA-N 346.452 3.538 0 50 EHAA CCOC(=O)c1c(N)sc2c(OCC)c(Br)ccc12 126481 KSIZMUBFKCWQRO-UHFFFAOYSA-N 344.230 3.821 0 50 EHAA COc1ccc(OC)c(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1 270128 HBWUCVKLKHTIOL-UHFFFAOYSA-N 349.452 3.703 0 50 EHAA COC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1OC 1383743 IQTFJVWBBYQGMG-UHFFFAOYSA-N 334.759 3.779 0 50 EHAA O=C(CSCc1ccc(Cl)cc1)Nc1ccc(C(=O)O)cc1 4523769 OINOQKKMWRXMLD-UHFFFAOYSA-N 335.812 3.910 0 50 EHAA C[C@@]1(CCc2ccccc2)OC(=O)N(CCc2ccccc2)[C@]1(C)O 4686858 YZRUAHZNAPSQLK-LEWJYISDSA-N 339.435 3.781 0 50 EHAA Cc1cc(NN)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 10493629 WIKDDARBAJHKAK-UHFFFAOYSA-N 341.724 3.663 0 50 EHAA CCOC(=O)C1(CCOc2ccccc2)CCN(CC2CC2)CC1 11948912 QJEGUNSLMQMXRN-UHFFFAOYSA-N 331.456 3.511 0 50 EHAA CCCc1noc(CN2CCC(Oc3cccc(Cl)c3)CC2)n1 12592531 FHGCCZPRIQKOAE-UHFFFAOYSA-N 335.835 3.719 0 50 EHAA CC[C@@H]1CCc2c(sc(NC(=O)c3cc(C)on3)c2C(=O)OC)C1 13327297 JMWGLEXWEBXKJZ-SNVBAGLBSA-N 348.424 3.598 0 50 EHAA O=C(Nc1ccc(F)c(F)c1)c1cnn2c(-c3ccco3)ccnc12 13644440 YGMKQLKEHMSFLG-UHFFFAOYSA-N 340.289 3.520 0 50 EHAA O=C(Cc1ccccc1Cl)NC1CCN(Cc2ccccc2)CC1 13744725 ODWSGOHOTGWABH-UHFFFAOYSA-N 342.870 3.663 0 50 EHAA CCCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 17068645 FECRNGKEKWFMBX-AWEZNQCLSA-N 333.453 3.687 0 50 EHAA CCC[C@@H](C)c1nnc(NC(=O)c2c(C)nc3sccn23)s1 55244856 GWNBNCWVZDGSLU-MRVPVSSYSA-N 335.458 3.712 0 50 EHAA COCCN(Cc1ccc(C)cc1)Cc1coc2ccccc2c1=O 55368938 HDAFTAGJYSGGNF-UHFFFAOYSA-N 337.419 3.750 0 50 EHAA Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccsc3)cc2)n1 61160041 KOGUPCWGCPXVLB-UHFFFAOYSA-N 325.437 3.540 0 50 EHAA CCc1ccc(-c2c(-c3ccccc3)ncn2C[C@H](O)COC)cc1 65507633 WIOVBJFMVLGSTG-IBGZPJMESA-N 336.435 3.787 0 50 EHAA CN1[C@H]2CC[C@@H]1Cc1nc(N)c(C#N)c(-c3ccc(Cl)s3)c12 71289673 QKJMLHPKTWMIFB-KCJUWKMLSA-N 330.844 3.609 0 50 EHAA CC(=O)c1ccc(C(=O)N(C)Cc2cc(-c3ccccc3)no2)s1 72479258 MWUUVDCIDFTFNX-UHFFFAOYSA-N 340.404 3.878 0 50 EHAA CN(CC1CCN(Cc2ccccc2)CC1)C(=O)CCC(F)(F)F 77354041 AZPLHJULPRJIQY-UHFFFAOYSA-N 342.405 3.700 0 50 EHAA CC(C)c1noc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)on2)n1 82120586 GKCVNNDGKXXTRJ-ZDUSSCGKSA-N 332.404 3.672 0 50 EHAA CCCO[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2Cl)C1 91973735 XBCCQNVVKFDJBC-CYBMUJFWSA-N 346.254 3.790 0 50 EHAA Cc1nnc(SCc2nc(C3CC3)nn2Cc2ccccc2)s1 95517802 XTVAIDLJDSZALD-UHFFFAOYSA-N 343.481 3.656 0 50 EHAA COc1cccc([C@H]2CCCCN2C(=O)Nc2c(C)nn(C)c2C)c1 96153101 BFTAMKRDJDORHZ-QGZVFWFLSA-N 342.443 3.805 0 50 EHAA Cc1cccnc1[C@@H](NC(=O)CC1CC(C)(C)NC(C)(C)C1)C1CC1 97570955 ZIPSUPXUROCWSA-IBGZPJMESA-N 343.515 3.904 0 50 EHAA CCC(CC)N1C[C@H](c2nc(-c3ccccc3Cl)no2)CC1=O 113732981 INLJLKQXBSYSSR-LLVKDONJSA-N 333.819 3.895 0 50 EHAA CN(C)c1ccccc1CSc1nnc(-c2ccccc2F)n1C 123757088 WKXSOVGOKUHMAL-UHFFFAOYSA-N 342.443 3.980 0 50 EHAA O=C(NCC1(c2cccc(F)c2)CC1)N(Cc1ccccn1)C1CC1 172497623 BXRKUOJRFWNFJX-UHFFFAOYSA-N 339.414 3.627 0 50 EHAA CC(C)C1(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1 177404686 AUZPYNIFKBHZLQ-UHFFFAOYSA-N 325.412 3.780 0 50 EHAA O=C(Nc1ccncc1F)N1CC[C@@H](Oc2ccccc2Cl)C1 184160235 SWZGRUUEMLROQH-LLVKDONJSA-N 335.766 3.559 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 185812125 CFBXTECGRFUCEG-NVXWUHKLSA-N 341.411 3.902 0 50 EHAA CC[C@H](NC(=O)NCc1ccc2ncccc2c1)c1c(C)noc1C 194277545 AIWAPUKVUCQJII-INIZCTEOSA-N 338.411 3.790 0 50 EHAA OCCOc1ccccc1CN1CC[C@@H](c2cccc(Cl)c2)C1 215465754 VAWCYMZHCXGBBU-MRXNPFEDSA-N 331.843 3.701 0 50 EHAA Cc1nc([C@H]2CCCN2Cc2cnc(-c3ccccc3C)s2)n[nH]1 215743546 OISTYOXZSXONMU-MRXNPFEDSA-N 339.468 3.882 0 50 EHAA Cc1ccc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)cc1 219118182 VCMMMVWYTQJYEH-QFIPXVFZSA-N 347.462 3.679 0 50 EHAA C[C@@H](CN(C)C(=O)c1cocn1)Oc1ccc(Cl)c(Cl)c1 225553797 GXSFMGKMWFCAQW-VIFPVBQESA-N 329.183 3.521 0 50 EHAA C[C@@H]1CCN(C(=O)C2CCNCC2)[C@H]1c1ccc(C(F)(F)F)cc1 225562206 IGVONATZDIEUSU-MLGOLLRUSA-N 340.389 3.615 0 50 EHAA CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](c2nc(C)no2)C1)c1ccccc1 229290806 JVBGUXZQBVMGTD-BMGDILEWSA-N 341.455 3.914 0 50 EHAA c1ncn(C2CCCCC2)c1CN1CCCN(C2CCCC2)CC1 244884246 YIIFFOUVMFQDGX-UHFFFAOYSA-N 330.520 3.839 0 50 EHAA O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccc2c(c1)OCO2 253401175 FKGQJKNNAITLGL-INIZCTEOSA-N 334.375 3.704 0 50 EHAA biogenic Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 266786936 HRJWDCZCCXULME-UXLLHSPISA-N 344.459 3.603 0 50 EHAA CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2sccc2Cl)C1 285553837 UWOZCGKGLOFJPR-LLVKDONJSA-N 338.864 3.594 0 50 EHAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(Cc1ccc(OC3CCCC3)cc1)CC2 299758139 DFTFYOZVWXFPNE-JRGCBEDISA-N 345.483 3.512 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1Nc1ncnc2sc(C)cc12 328619284 FQNGYJRKGPOCSQ-KBPBESRZSA-N 343.456 3.548 0 50 EHAA CC(C)c1nccc(N2CCC[C@@H]2c2nc3c(n2C)CCCC3)n1 328629771 PDPWYKVSAZWOCY-MRXNPFEDSA-N 325.460 3.554 0 50 EHAA Cc1cc(NC(=O)c2ccc(O)cc2F)cnc1N1CCCC[C@@H]1C 332526575 SHRQEMRBFUJMJE-ZDUSSCGKSA-N 343.402 3.866 0 50 EHAA Cc1nnc([C@@H]2CC23CCN(c2ncc(Cl)cc2Cl)CC3)o1 376220560 RCXFVMLMJURDRO-NSHDSACASA-N 339.226 3.854 0 50 EHAA COc1cccc(N2CCC(NCc3ccc([C@H](C)O)cc3)CC2)c1 378164247 MGGFJYLRKLMYGZ-INIZCTEOSA-N 340.467 3.507 0 50 EHAA COc1cc(C(N)=O)ccc1OCc1c(Cl)cccc1Cl 409416926 UNEXRFXQPRXGIA-UHFFFAOYSA-N 326.179 3.680 0 50 EHAA C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(C(=O)O)cc2F)C1 478825462 IXQSNDSOTJDBBP-FQEVSTJZSA-N 341.382 3.718 0 50 EHAA CC[C@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 480748639 YBGBDXQYYGMUJJ-QWRGUYRKSA-N 339.379 3.612 0 50 EHAA CCn1cc(-c2ccc(C(=O)N(C)Cc3nc(C)cs3)cc2)cn1 534583259 YDXOOGNEPDXKCD-UHFFFAOYSA-N 340.452 3.607 0 50 EHAA O=C(NCC[C@@H]1CCOC1)c1ccc(CSc2ccccn2)cc1 534586276 NPVUXORJIZDGTQ-OAHLLOKOSA-N 342.464 3.530 0 50 EHAA CO[C@H](C)CNC(=O)N(Cc1ccccc1)Cc1cccc(C)c1 534593133 OOQHDVGNSWDLRD-QGZVFWFLSA-N 326.440 3.742 0 50 EHAA c1cnc2[nH]cc([C@@H]3CCCN(CCSc4ccncc4)C3)c2c1 931372175 JSQLXWCWMXJRKR-OAHLLOKOSA-N 338.480 3.930 0 50 EHAA CC1(C)C[C@@H](NC(=O)Nc2cccc(Oc3ccccc3)n2)CCO1 934429622 SPPZDGOWKVUOJV-AWEZNQCLSA-N 341.411 3.953 0 50 EHAA COc1ccc(OC)c(CN[C@@H]2CCCN(Cc3cccs3)C2)c1 952860117 FEOULVFRWQEAHJ-MRXNPFEDSA-N 346.496 3.520 0 50 EHAA CCCC[C@H]1C=CCN1C(=O)C1(c2ccccc2)CCN(C)CC1 1506399108 KAWKPWGIWCHJGW-IBGZPJMESA-N 326.484 3.607 0 50 EHAA Cc1cccc(CN(CCc2ccc(O)cc2)C[C@@H]2CCCO2)c1 1529178075 HJMWNZMHQHIFML-NRFANRHFSA-N 325.452 3.924 0 50 EHAA CSc1ccc(CN2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)cc1 1565530237 BZNLUVKRRQWYCU-WMZOPIPTSA-N 344.524 3.631 0 50 EHAA O=C1NCCc2ccc(-n3ccnc3-c3cccc(F)c3Cl)cc21 1772813546 GXQXUEUXRXIIRA-UHFFFAOYSA-N 341.773 3.618 0 50 EHAA CCOc1ccc(C(=O)N[C@H]2CCCc3c2c(C)nn3C)cc1Cl 1857678360 WOBJTZFAIUJIER-AWEZNQCLSA-N 347.846 3.588 0 50 EHAA CC(C)[C@H]1CC[C@H](C(=O)N(C)[C@H]2CCN(CCC(F)(F)F)C2)CC1 1875334972 NBCXQNRVSMITJW-JYJNAYRXSA-N 348.453 3.934 0 50 EHAA Cc1ccsc1[C@@H](Cc1ccccc1)N=c1[nH]ccn2nccc12 1875336035 QMMSBLQUBIYMNW-MRXNPFEDSA-N 334.448 3.917 0 50 EHAA Cc1nc2ccc(CNC[C@H]3CCN(c4ccccc4F)C3)cc2[nH]1 2325812356 UORQHJNJMMJQCE-MRXNPFEDSA-N 338.430 3.627 0 50 EHAA CCN(Cc1ccc(C(=O)OCC[C@H]2OCC[C@H]2C)cc1)C1CC1 2325874252 FTCXRNOPVJAYMY-DNVCBOLYSA-N 331.456 3.643 0 50 EHAA CCc1ccc(OCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 462575 FGOJIMXVMZVRSW-UHFFFAOYSA-N 340.379 3.895 0 50 EHAA Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)n2)cc1 483889 MSWQGSUCTSKSLI-UONOGXRCSA-N 344.436 3.948 0 50 EHAA O=C(NCc1ccco1)c1cccnc1-c1nc2ccccc2s1 1051600 BYJYAJXBLJXBPO-UHFFFAOYSA-N 335.388 3.881 0 50 EHAA COC(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1 1773347 MQINPELIVRWMKH-UHFFFAOYSA-N 327.380 3.579 0 50 EHAA O=C(NCc1ccco1)c1ccc(NC(=O)c2cccs2)cc1 2868676 AROQLDIDSSOWNC-UHFFFAOYSA-N 326.377 3.523 0 50 EHAA c1ccc(-n2nnnc2CSc2nc3ccccc3s2)cc1 4689893 GORGSMAIIJTXNC-UHFFFAOYSA-N 325.422 3.564 0 50 EHAA CCOC(OCC)(OCC)P(=O)(N(CC)CC)N(CC)CC 4948647 AWFPRNXVNOCVDQ-UHFFFAOYSA-N 338.429 3.584 0 50 EHAA Cc1ccc2c(c1)N(CC(=O)Nc1ccc3ccccc3c1)C(=O)CO2 10682060 AHLGVAQCIPSUNT-UHFFFAOYSA-N 346.386 3.512 0 50 EHAA c1ccc(C(C[C@H]2CN(Cc3c[nH]cn3)CCO2)c2ccccc2)cc1 11819348 MXHBHQXZAQRGQI-NRFANRHFSA-N 347.462 3.833 0 50 EHAA COc1cc(C)ccc1OCc1cc(C(=O)N2CCCCCC2)no1 12021454 OKARLCMRMCRWPL-UHFFFAOYSA-N 344.411 3.587 0 50 EHAA COc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1OC 13710288 KFXCTHDXRSICTB-AWEZNQCLSA-N 329.396 3.727 0 50 EHAA COc1ccc(CC[C@@H]2CCCN(C(=O)CC(F)(F)F)C2)cc1 15079491 QYCUFZORUGSKMX-AWEZNQCLSA-N 329.362 3.819 0 50 EHAA Brc1ccc2nccc(I)c2c1 19721486 BWFLFNVNIISPPK-UHFFFAOYSA-N 333.954 3.602 0 50 EHAA in-vitro Cc1cccnc1C[C@@H](C)N(C)C(=O)c1ccc([C@H]2CCCN2)s1 20149325 NMCIFNLODLKHFE-HUUCEWRRSA-N 343.496 3.579 0 50 EHAA CSc1ccc(C(=O)[C@H]2CCCN(Cc3cnn(C)c3C)C2)cc1 20868861 XGOSFNXGJCLRAS-INIZCTEOSA-N 343.496 3.545 0 50 EHAA CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](CF)Cc2ccccc2)c1 55228336 AAIGBKKNMOSCFV-OAHLLOKOSA-N 348.805 3.609 0 50 EHAA CCCN1CCC(CC(=O)N(Cc2ccncc2)[C@@H](C)CC)CC1 55253090 DECXUKNPERYIBB-KRWDZBQOSA-N 331.504 3.721 0 50 EHAA O=C(O)[C@]1(CCCc2ccccc2)CCCN(Cc2ccccn2)C1 71405667 PDVZJNCCAULMJN-OAQYLSRUSA-N 338.451 3.771 0 50 EHAA CC[C@@H](c1ccncc1)n1ccnc1-c1cc2ccccc2n(C)c1=O 71613742 QMUCRFWPGXLMAC-SFHVURJKSA-N 344.418 3.796 0 50 EHAA CC1=CC[C@@H]2CN(C(=O)c3cccc(CCC(C)(C)O)c3)C[C@@H]2C1 72410121 ZYSSTUSPNMPXQC-MOPGFXCFSA-N 327.468 3.818 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N[C@H]2COC3(CCCCC3)C2)c1 72410626 RZJGFPYUEQFCBF-GOSISDBHSA-N 345.483 3.612 0 50 EHAA CCNc1nc(C)c(C(=O)N(C)Cc2cccc3ncccc23)s1 72426738 TVESJSMNSIBSSW-UHFFFAOYSA-N 340.452 3.704 0 50 EHAA O=C(NC1CCCC1)N1CCC(c2nccn2CC2CCC2)CC1 91548223 SFDMTJWFPZOOKC-UHFFFAOYSA-N 330.476 3.515 0 50 EHAA Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)NC(C)(C)C)c1C 91663974 FGETUOGGTXEDAZ-MRXNPFEDSA-N 340.471 3.964 0 50 EHAA O=C1CCC(c2ccccc2)(c2ccccc2)CN1C[C@@H]1CCOC1 91997115 SZNWNTYKVKLSFB-SFHVURJKSA-N 335.447 3.632 0 50 EHAA COc1ccc2c(C)c(C(=O)N[C@H](C)Cc3cncs3)oc2c1 92099786 UOQHACCNJLOGMO-SNVBAGLBSA-N 330.409 3.567 0 50 EHAA Cc1c(Cl)cc(C(=O)N(C)Cc2nc(C3CC3)no2)cc1Cl 95374929 UXWUFPIEWPGCJX-UHFFFAOYSA-N 340.210 3.834 0 50 EHAA COc1ccccc1CCNC(=O)Nc1c(C)cnn1[C@@H](C)C1CC1 96153585 FLIAZMYTOHKDIN-AWEZNQCLSA-N 342.443 3.535 0 50 EHAA Clc1ccc(N2CCCCC2)cc1-c1nc([C@H]2CCOC2)no1 96163386 SSQQHPWVZRLTNQ-LBPRGKRZSA-N 333.819 3.884 0 50 EHAA CC(C)c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(=O)n1C 97698895 FACQIBOGTRGYID-JLTOFOAXSA-N 330.472 3.550 0 50 EHAA Cc1nc2ccccc2n1[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 101296982 PUGGOYKRZQZRAG-INIZCTEOSA-N 339.782 3.503 0 50 EHAA Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 129372945 LZTPYZUNFXVPAW-HUUCEWRRSA-N 338.377 3.786 0 50 EHAA Cc1cc(C[C@H](C)NC(=O)N2CCCCC[C@H]2c2ccc(C)o2)n[nH]1 158206645 DZDSKKIZZUHQSS-GUYCJALGSA-N 344.459 3.877 0 50 EHAA Cc1cnc(NC(=O)c2cnc(C(C)C)s2)c(Br)c1 163062379 FEGWZNBGKYIACA-UHFFFAOYSA-N 340.246 3.985 0 50 EHAA O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCCCCC1 169981436 TUODTIFYUNVJLG-UHFFFAOYSA-N 339.317 3.772 0 50 EHAA CO[C@H]1CN(C(=O)c2ccc(Sc3ccccn3)cc2)CC[C@H]1C 170603481 LPVXOJBPJGOZEI-PBHICJAKSA-N 342.464 3.730 0 50 EHAA Cc1ccc2c(CC(=O)Nc3cnc4ccccc4c3)cc(=O)oc2c1 170606548 NMMNOVQWVHSXAF-UHFFFAOYSA-N 344.370 3.831 0 50 EHAA COc1ccccc1-c1nnc(CN2c3ccccc3OC[C@H]2C)o1 173808828 QWXFRGNGKAXVEA-CYBMUJFWSA-N 337.379 3.533 0 50 EHAA C[C@H](NC(=O)c1cc(C(=O)O)co1)c1nc(-c2ccccc2)cs1 183787028 PFBAJPFGQYDVAW-JTQLQIEISA-N 342.376 3.592 0 50 EHAA CC(C)c1ccc(-c2nc(C(=O)N(C)CC3(CO)CC3)cs2)cc1 189095957 MBCOCMCFQJSADT-UHFFFAOYSA-N 344.480 3.778 0 50 EHAA C[C@@H](SC1=NCCS1)C(=O)N1CCC[C@H]1c1cccs1 193293414 VWBRZAPXWOTZML-MNOVXSKESA-N 326.512 3.636 0 50 EHAA COc1ccc(CN2CCC[C@H]2c2nccs2)c(OC)c1OC 215753443 IOYSPNMEAXFTHN-ZDUSSCGKSA-N 334.441 3.506 0 50 EHAA Cc1nc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c(C(C)C)s1 223234414 ZOUNXHRXOJDWPE-SNVBAGLBSA-N 328.441 3.942 0 50 EHAA O=C(N1CCC[C@H](c2ccc(Cl)cc2)C1)C1(Cn2ccnc2)CC1 223931064 YSMYUNLNNJYPNO-INIZCTEOSA-N 343.858 3.723 0 50 EHAA O=C(Nc1cc(-c2ccco2)ccc1F)[C@H]1COc2ccccc2O1 225424405 UTZFMPQBNWODDD-GOSISDBHSA-N 339.322 3.864 0 50 EHAA COc1ccccc1[C@H]1CCCN1c1nnc(-c2ccccn2)s1 225585382 SKPRKIHZBSDVJA-OAHLLOKOSA-N 338.436 3.950 0 50 EHAA C[C@H]1CCc2c(C(=O)N3CCC[C@H](CCC(=O)O)C3)csc2C1 237612744 SUPFUGOGGOMKCC-QWHCGFSZSA-N 335.469 3.590 0 50 EHAA 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Cc1cccc(C2=CCN(C(=O)N[C@@H](C)c3cnn(C)c3C)CC2)c1 180298598 FMARUUDUISDHFR-HNNXBMFYSA-N 338.455 3.597 0 50 EHAA Cc1nscc1C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 182324287 ZNQMPKOVLUQYQE-MRXNPFEDSA-N 327.384 3.505 0 50 EHAA O=C(Cc1c(F)cccc1Cl)Nc1ncn(C2CCCCC2)n1 182700836 MVFXDBFQLWVAIP-UHFFFAOYSA-N 336.798 3.757 0 50 EHAA O=C(CCc1cccc2c1OCO2)N1CCC[C@H]1c1cccc(F)c1 184164892 OXWIDSYMXBXHJW-KRWDZBQOSA-N 341.382 3.851 0 50 EHAA Fc1ccccc1OCc1noc([C@H]2CCCN2c2nccs2)n1 188048782 YPDBHDSFSRMZMF-GFCCVEGCSA-N 346.387 3.586 0 50 EHAA CN(CCCc1nccn1C)Cc1nc(-c2ccc(F)cc2)cs1 216192213 JHLQSJNVRBCSSE-UHFFFAOYSA-N 344.459 3.747 0 50 EHAA O=C(C1CCCCCC1)N1C[C@@H]2CC[C@H]1CN(Cc1cscn1)C2 219569159 RYBOMPNSZYTXFR-QAPCUYQASA-N 347.528 3.536 0 50 EHAA CC(C)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ncc[nH]1 225837887 UJCSVAABCXSAMQ-GFCCVEGCSA-N 326.322 3.947 0 50 EHAA CCOc1ccccc1NC(=O)c1ccc(C)c(NC(=O)C2CC2)c1 230510510 YYJJORUYLJQJGA-UHFFFAOYSA-N 338.407 3.995 0 50 EHAA COc1ccccc1[C@@H](CN[C@H](C)c1cc(C)n(C)n1)OC(C)C 242324492 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299794124 IUJBSJWWZHABTM-UHFFFAOYSA-N 337.427 3.658 0 50 EHAA C[C@H](CCc1ccccc1F)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 328635649 NNOUKLLTEQYHTB-PBEJRMEISA-N 341.474 3.824 0 50 EHAA O=C(c1cc(Cl)ccc1O)N1CCC(Cc2cccnc2)CC1 361100273 FZGYIKQNJHOFKJ-UHFFFAOYSA-N 330.815 3.536 0 50 EHAA Cc1cc(Cl)c(C(=O)N[C@@H]2C[C@@H](C(=O)O)c3ccccc32)cc1C 653327902 BEALLXZBGJDQRG-RHSMWYFYSA-N 343.810 4.000 0 50 EHAA Cc1nn(-c2ccccc2F)cc1CN1CCC([C@@H]2CCOC2)CC1 656254886 FQIWDZCARHZBQI-QGZVFWFLSA-N 343.446 3.568 0 50 EHAA CC(C)NCc1cc(-c2ccc(Br)c(Cl)c2)n[nH]1 725264793 XUSKOFZMKGWLFI-UHFFFAOYSA-N 328.641 3.991 0 50 EHAA CC1(O)CCC(Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)CC1 892375311 MMUIOEZUYIKRAR-UHFFFAOYSA-N 339.501 3.505 0 50 EHAA CC(C)N(C(=O)c1coc2c1C(=O)NCCC2)[C@H](C)c1ccccc1 905739094 LAQDAQFKVQICQI-CQSZACIVSA-N 340.423 3.567 0 50 EHAA FC(F)(F)c1ccc(N2CCC[C@@H](OCc3ccccn3)C2)nc1 1506409582 RNRXGWHHRXELKH-OAHLLOKOSA-N 337.345 3.681 0 50 EHAA COc1ccc(S(=O)(=O)Oc2ccc(F)cc2)c2ccccc12 1776002207 WEYPBEXEXQWHEA-UHFFFAOYSA-N 332.352 3.755 0 50 EHAA Cc1ccc([C@H](C)c2noc(Cc3ccc4c(c3)CCC(=O)N4)n2)o1 1875290926 IVUIKDQQLQBKGX-LBPRGKRZSA-N 337.379 3.598 0 50 EHAA COc1ccccc1[C@H]1C[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 2325786786 BNJQEFFUXZBXHJ-KOMQPUFPSA-N 331.456 3.510 0 50 EHAA CCCC[C@@H](NC(=O)c1nnc2c(F)cccc2c1O)C1CCC1 2325842368 WDUWEUICVHXAMD-CQSZACIVSA-N 331.391 3.563 0 50 EHAA CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(C(=O)O)c1 133624 MANWCCKAYZPQRW-UHFFFAOYSA-N 327.380 3.700 0 50 EHAA CN(C(=O)c1ccc(NC(=O)c2ccco2)cc1)C1CCCCC1 178361 NYVJUGAFRRMKHV-UHFFFAOYSA-N 326.396 3.937 0 50 EHAA CCOC(=O)c1ccc(NC(=O)[C@@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 204616 OPWADHNUZBNMCJ-VQTJNVASSA-N 343.423 3.587 0 50 EHAA biogenic COc1ccc(OC)c(NC(=S)NCc2ccc(Cl)cc2)c1 307132 XVKNCVLEYAJILJ-UHFFFAOYSA-N 336.844 3.844 0 50 EHAA COc1ccc(C(=O)COC(=O)c2cc(C)nc3ccccc23)cc1 453337 FIZRFEMQFBFCDZ-UHFFFAOYSA-N 335.359 3.592 0 50 EHAA COc1cc(NC(=O)c2ccc(C)cc2)ccc1NC(=O)C(C)C 556336 RPGZHAXHBZRABG-UHFFFAOYSA-N 326.396 3.850 0 50 EHAA O=S(=O)(Nc1c(F)cccc1F)c1ccc(Br)cc1 609357 GHFNAVYZBQOPFF-UHFFFAOYSA-N 348.168 3.528 0 50 EHAA CCOC(=O)N1CCC(NCc2ccc(Cl)cc2Cl)CC1 2499087 IHLSPBWIMSBKQO-UHFFFAOYSA-N 331.243 3.704 0 50 EHAA O=C(O)/C=C/c1c(-c2ccc(Br)cc2)nc2ccccn12 2510956 LKOMYOGCCIFNPJ-CMDGGOBGSA-N 343.180 3.862 0 50 EHAA Cc1ccc2nsnc2c1NC(=O)COc1ccccc1Cl 4487030 PFSWVLBLTUKZOT-UHFFFAOYSA-N 333.800 3.671 0 50 EHAA O=C(NCc1cccnc1Oc1ccc(F)cc1F)c1cscn1 12305075 YJILQOKDVGICBA-UHFFFAOYSA-N 347.346 3.539 0 50 EHAA O=C(C1CCCC1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 12372999 BATGGPHMAPGSTI-NRFANRHFSA-N 346.515 3.598 0 50 EHAA CCC[C@H](CC(=O)OCC)NC(=O)c1oc2ccc(C)cc2c1C 12713804 RNYGBUJFIFOGBA-CQSZACIVSA-N 331.412 3.901 0 50 EHAA O=C(/C=C/c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 19594713 FSYSSVWBDAYUEO-MZXMXVKLSA-N 332.447 3.557 0 50 EHAA CCc1cc([C@@H]2CCCN2C(=O)c2cc(-c3cccs3)on2)on1 33269917 KIOAUZNHPVEZOK-ZDUSSCGKSA-N 343.408 3.931 0 50 EHAA CC(C)(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 39778405 PLCQKKONXZEZCF-UHFFFAOYSA-N 339.391 3.778 0 50 EHAA CCc1nc(C)c(C(=O)NCCCn2ccc3ccccc32)s1 50552199 GKVKONGUJHEPNA-UHFFFAOYSA-N 327.453 3.789 0 50 EHAA CCCC(=O)Nc1cc(C(=O)N(CC)Cc2ccncc2)ccc1C 55386114 QLQOHMXETNZZIW-UHFFFAOYSA-N 339.439 3.791 0 50 EHAA Cc1ccc(NC(=O)[C@@H](C)NCc2ccccc2-n2ccnc2C)cc1 65395449 NVJJNKJJWKYCDU-MRXNPFEDSA-N 348.450 3.606 0 50 EHAA CCCc1nccn1Cc1nc(-c2ccc(OC)cc2F)oc1C 67675516 YDGVNOXJDZWWBN-UHFFFAOYSA-N 329.375 3.995 0 50 EHAA CCOC(=O)c1nccn1Cc1nc(-c2ccccc2Cl)oc1C 67785813 GZYFXFFOGOMTFY-UHFFFAOYSA-N 345.786 3.725 0 50 EHAA Cc1cc(C(=O)O)ccc1-c1ccc([C@@H](C)N2CCOCC2)cc1 67847224 GKFAGTXRCDDXRH-OAHLLOKOSA-N 325.408 3.753 0 50 EHAA O=C(CSCc1ccccc1Cl)N1CC(c2ccccn2)C1 72165597 IOMSLRGIVMIDBG-UHFFFAOYSA-N 332.856 3.594 0 50 EHAA COc1coc(CN2CCC[C@H](CCc3ccccc3F)C2)cc1=O 72168856 VCQFJIRCASSANK-OAHLLOKOSA-N 345.414 3.632 0 50 EHAA Cc1cncc(-n2ccnc2-c2cnc(NCc3ccccc3)nc2)c1 72474245 XZQHOJMYOYUYAM-UHFFFAOYSA-N 342.406 3.645 0 50 EHAA CSCc1ccc(C(=O)N2CC(Oc3c(C)cccc3C)C2)o1 82136872 GTLPWXGGQIIQTP-UHFFFAOYSA-N 331.437 3.663 0 50 EHAA O=C(Nc1ccccc1Oc1ccccc1)N1CCCC[C@@H]1CO 89853917 CKCOOTRJELQABQ-OAHLLOKOSA-N 326.396 3.858 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 91320180 RAHQUTXOLRERNE-LBPRGKRZSA-N 334.370 3.593 0 50 EHAA CSc1cccc(CN(C)C(=O)c2cn3cc(C)ccc3n2)c1 91663552 BDWXEMYNEBNSQD-UHFFFAOYSA-N 325.437 3.637 0 50 EHAA Cc1cccnc1[C@@H](NCc1cc(=O)c2cc(F)ccc2[nH]1)C1CC1 91707689 VAVAUBAAKOWQMU-FQEVSTJZSA-N 337.398 3.612 0 50 EHAA C[C@@H](c1ccon1)N(C)C(=O)COc1ccc(Cl)cc1Cl 91914914 IXJZJVPLJLBBNN-VIFPVBQESA-N 329.183 3.580 0 50 EHAA CCc1nc(CN2CCC[C@@H](c3cccc(C(=O)O)c3)C2)cs1 95356545 GBKLHBKWCNANTN-OAHLLOKOSA-N 330.453 3.783 0 50 EHAA CCc1nc(C)c(CNC(=O)CC[C@@H]2CCCN3CCCC[C@H]23)s1 95380548 RVACWKSGNPRUJC-JKSUJKDBSA-N 349.544 3.675 0 50 EHAA Cc1nnc(-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)s1 96159725 ZHVHHAZTNTYNLB-UHFFFAOYSA-N 330.434 3.584 0 50 EHAA C[C@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@@H](c2cccs2)CC3=O)C1 169682672 FGTUXGVFIXSKCP-HZSPNIEDSA-N 341.480 3.933 0 50 EHAA O=C1COc2cc(NCc3nc(-c4ccccc4)cs3)ccc2N1 170594883 SIIVGJATNRVDQZ-UHFFFAOYSA-N 337.404 3.753 0 50 EHAA CC(C)(C)OCc1cc(C(=O)N2CC(C)(C)Oc3ccccc32)no1 186541476 RLKTXYSNZURQQE-UHFFFAOYSA-N 344.411 3.808 0 50 EHAA CC(C)Oc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)c(Cl)c1 187247863 QEGLWCKUYXFJOY-INIZCTEOSA-N 338.835 3.770 0 50 EHAA Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)co1 188887032 UWWGPHQJGBINJD-CABCVRRESA-N 339.313 3.555 0 50 EHAA O=C(Nc1ccsc1Cl)N1C[C@@H](CO)[C@H](c2ccsc2)C1 189293110 CMAJKTZGWKCECC-QWRGUYRKSA-N 342.873 3.703 0 50 EHAA CCC[C@@]1(COC)CCCN1C(=O)c1cnc(-c2ccccn2)s1 192756200 RQSDHCRNOFVCJC-SFHVURJKSA-N 345.468 3.626 0 50 EHAA CC(=O)Nc1cccc2c1CCN(C(=O)/C=C/c1cccc(C)c1)C2 193403861 AFOZSZLZRQNTQS-MDZDMXLPSA-N 334.419 3.552 0 50 EHAA Cc1[nH]nc2ncc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)cc12 194285679 ODRITQGYYWHQGM-MRXNPFEDSA-N 340.814 3.897 0 50 EHAA Cc1scc(C(=O)NCc2n[nH]c3c2CCC3)c1-c1ccccc1 220670706 NUOYCPUNBXWBLF-UHFFFAOYSA-N 337.448 3.865 0 50 EHAA C[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1)OCO2 229797082 PNTXOOBBAAFYRR-WCFLWFBJSA-N 343.345 3.961 0 50 EHAA C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC12CCNCC2 237598808 PWQRXHCGHWLNHS-FZMZJTMJSA-N 341.282 3.903 0 50 EHAA CC(C)n1ccc2c(OCC(=O)NCCc3ccco3)cccc21 252497692 QNDDBGXBBHXGMW-UHFFFAOYSA-N 326.396 3.553 0 50 EHAA O=C(NC1CCC1)c1ccccc1SCc1occc1C(=O)O 262128562 MDRVGKCOKQVRMT-UHFFFAOYSA-N 331.393 3.552 0 50 EHAA CC[C@@H](C)[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)C(F)(F)F 278223731 UQXHEBFDAIOSLM-BLTYZCFWSA-N 329.240 3.516 0 50 EHAA Cc1ccc(CC2CCN(C(=O)Nc3cnn(C)c3)CC2)cc1C 292203956 GRSZGBSKOJKISS-UHFFFAOYSA-N 326.444 3.524 0 50 EHAA CCCSCC(=O)NC[C@H](c1ccc(F)cc1)N1CCCCC1 299782940 WFZMQIFDAVJFRS-QGZVFWFLSA-N 338.492 3.612 0 50 EHAA CC(C)CCn1ccc(NC(=O)N2Cc3ccccc3OC[C@H]2C)n1 679883263 WJOLMMBZJFWSCW-OAHLLOKOSA-N 342.443 3.744 0 50 EHAA Cc1cccc(Cc2noc(-c3cn(CC(F)F)nc3C)n2)c1F 904149770 GOWAJZTYVXDPDQ-UHFFFAOYSA-N 336.317 3.545 0 50 EHAA Cc1csc(C[C@@H]2CCN(C(=O)N(C)Cc3ccccc3)C2)n1 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337.375 3.875 0 50 EHAA COc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 450660 CAIPKNTVEAFJPI-UHFFFAOYSA-N 328.437 3.945 0 50 EHAA CC1(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)CCCCC1 1854671 YZFWTZACSRHJQD-OAHLLOKOSA-N 333.453 3.930 0 50 EHAA in-man O=S(=O)(NCCCc1ccccc1)c1cc(Cl)ccc1Cl 2767685 WQQIYSRCDXGNCZ-UHFFFAOYSA-N 344.263 3.905 0 50 EHAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(CN2CCCCC2)cc1 2809609 ARPJWAOSTFGDCC-QZTJIDSGSA-N 344.455 3.502 0 50 EHAA CCC(=O)Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2 2871203 TUIMLSTVNWVSRU-UHFFFAOYSA-N 345.782 3.691 0 50 EHAA O=C(c1cc2c(s1)CCCCC2)N1CCN(c2ccccc2)CC1 3446456 GZIMGPWLEVYEAL-UHFFFAOYSA-N 340.492 3.979 0 50 EHAA COc1cccc(CNC[C@@H]2CCCO2)c1OCc1ccccc1 4488505 YZNCHGMFPXDZQP-SFHVURJKSA-N 327.424 3.543 0 50 EHAA COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H](C)C(=O)[C@@H]2C)cc1 4647863 RVYZVGKIODSCSZ-GOFCXKROSA-N 339.435 3.931 0 50 EHAA Cc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)c(C)c1 4738629 UGNZILKTEOGSPA-UHFFFAOYSA-N 342.508 3.877 0 50 EHAA CC(=O)Oc1cccc(C(=O)Nc2cccc(Br)c2)c1 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EHAA O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H](c2ncc[nH]2)C1 75553086 XMSXNYXFYSOKBL-LLVKDONJSA-N 344.465 3.615 0 50 EHAA C[C@@H](c1ccc(C(=O)N2CCOC3(CCC3)C2)cc1)C(F)(F)F 456010496 GPGQZPZWRIKDBN-LBPRGKRZSA-N 327.346 3.748 0 50 EHAA CC(C)c1cc(N(C)Cc2cc(-c3ccncc3)no2)n2nccc2n1 72140430 HIHLVWBWNDUOEG-UHFFFAOYSA-N 348.410 3.539 0 50 EHAA Cc1nc(CNC(=O)NCc2nc(C(C)(C)C)cs2)sc1C 176482578 NNCVQFBEXJZVLW-UHFFFAOYSA-N 338.502 3.513 0 50 EHAA CN(C)C1(CNC(=O)Cc2ccccc2C(F)(F)F)CCCCC1 221346766 LSKBNHVEQXHNDN-UHFFFAOYSA-N 342.405 3.629 0 50 EHAA CCOC[C@H]1CCCN1C(=O)c1ccc2c3c([nH]c2c1)CCCC3 426727442 KDDJRTNUHJHFCO-OAHLLOKOSA-N 326.440 3.688 0 50 EHAA COC[C@]1(O)CCN(Cc2ccccc2OC2CCCC2)CC1(C)C 91552084 KYNAPFFPCDVLGI-OAQYLSRUSA-N 347.499 3.617 0 50 EHAA Cc1nc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)c(C)o1 293206308 ZUJTXSPAYZMCIJ-CQSZACIVSA-N 348.830 3.876 0 50 EHAA O=C(NCc1cc(-c2ccccc2)on1)c1ccccc1-c1ncc[nH]1 97360160 RNKYAKJHLDBKBX-UHFFFAOYSA-N 344.374 3.662 0 50 EHAA C[C@H]1C[C@@H](C)N(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)c2ccnn21 247942348 VFOSASALFSWEMH-PKIAMQTDSA-N 331.366 3.651 0 50 EHAA COCc1ccc(C(=O)NCc2nc3cc(C(C)(C)C)ccc3o2)o1 299763196 YXIQRPPHPHRHHN-UHFFFAOYSA-N 342.395 3.795 0 50 EHAA COC(=O)c1cnc(Oc2ccc(-c3csc(C)n3)cc2F)cn1 1875317421 XBOFVUHCPSPKQJ-UHFFFAOYSA-N 345.355 3.627 0 50 EHAA COc1cccc([C@H]2CN(C(=O)Nc3c(C)cccc3F)CCO2)c1 274093121 IUAXNUVCPOYKKT-QGZVFWFLSA-N 344.386 3.748 0 50 EHAA CC(C)[C@H](c1ccccc1)c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 278087181 OIXXQJGRSOWKKB-KZNAEPCWSA-N 341.455 3.783 0 50 EHAA Cc1nccn1-c1ccccc1CN[C@@H]1CCN(c2ccccc2)C1 1506404738 RGDVFUOQIXXDPB-LJQANCHMSA-N 332.451 3.549 0 50 EHAA C[C@H]1CCCN(CCCOc2ccc(C(=O)C3CCOCC3)cc2)C1 1772818890 MWTOYUKXIDFIJT-KRWDZBQOSA-N 345.483 3.797 0 50 EHAA CCN1CCN(c2nc(C)nc3sc(-c4ccccc4)cc23)CC1 5555313 CWQYMWNABHHDQG-UHFFFAOYSA-N 338.480 3.809 0 50 EHAA CCCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc(C)n1 12560779 MIUOIOBPZULMSS-UHFFFAOYSA-N 334.441 3.596 0 50 EHAA COc1ccccc1Oc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 18241587 WRSLEFYFDNBQGF-IRXDYDNUSA-N 349.386 3.943 0 50 EHAA Cc1[nH]nc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ncsc1C 1857735123 JAMYNSMLGDWVBO-NSHDSACASA-N 326.425 3.641 0 50 EHAA CC(C)(C)OC(=O)Nc1ccc(C(=O)N2Cc3cccnc3C2)cc1 496912956 QRLAEIJUHCETBW-UHFFFAOYSA-N 339.395 3.585 0 50 EHAA O=C(Nc1ncc(-c2ccccc2)s1)N1CC[C@]2(CCCCN2)C1 900475607 YJPWYOCDPGFCPQ-GOSISDBHSA-N 342.468 3.560 0 50 EHAA O=C(Cc1c(F)cccc1Cl)Nc1ccc(Br)cn1 13328017 OLEFYXIOSFSCNI-UHFFFAOYSA-N 343.583 3.818 0 50 EHAA CC1=Nc2ccccc2C12CCN(C(=O)Nc1c(C)noc1C)CC2 930066680 BMSCYWYCCOUYDN-UHFFFAOYSA-N 338.411 3.963 0 50 EHAA O=C(Cn1ccnc1)N[C@@H](Cc1ccccc1)c1ccc(Cl)cc1 2325737082 YGNVNQUVZNWNRB-SFHVURJKSA-N 339.826 3.637 0 50 EHAA O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 349873 ZECDCFGKMZOLEN-UHFFFAOYSA-N 333.794 3.833 0 50 EHAA CCc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 360589 AXUBJRBPUOGKNA-UHFFFAOYSA-N 344.842 3.991 0 50 EHAA O=C1c2ccccc2[C@](O)(Cc2ccccc2)N1Cc1cccs1 611808 FDYFZTXQXZTBHZ-HXUWFJFHSA-N 335.428 3.792 0 50 EHAA O=C(C[C@@H]1COc2ccccc2O1)Nc1cccc(C(F)(F)F)c1 613178 WUDFZKZGTFACRF-CYBMUJFWSA-N 337.297 3.874 0 50 EHAA CO[C@](F)(C(=O)Nc1nc(-c2ccc(C)cc2)cs1)C(F)(F)F 2191896 DDENZXFCMXBNCW-CYBMUJFWSA-N 348.321 3.932 0 50 EHAA CSc1nsc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1 2871189 KAYCPDFBIVPPQR-UHFFFAOYSA-N 345.902 3.953 0 50 EHAA Cc1cccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)c1 4159894 VCOWAJLSHKNELA-IBGZPJMESA-N 334.375 3.639 0 50 EHAA COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1cccc(C)c1 5019347 SIHMHIXGRSYBON-IBGZPJMESA-N 341.451 3.851 0 50 EHAA O=C(CC(CC(=O)c1ccccc1)c1cc[n+]([O-])cc1)c1ccccc1 8380859 WNBPFYPWUDEOGA-UHFFFAOYSA-N 345.398 3.950 0 50 EHAA CCN(CC)c1ccc(NC(=O)c2ccc(OCCOC)cc2)cc1 8723071 XQEJZPBUNMOOMV-UHFFFAOYSA-N 342.439 3.810 0 50 EHAA Cc1ccc(OCc2cc(C(=O)N(C)CCC(C)C)no2)cc1C 12573921 ZTNNVUXYFXPRLH-UHFFFAOYSA-N 330.428 3.989 0 50 EHAA CCOc1cc(CN2CCN(C3CCCCCC3)CC2)ccc1OC 19831936 MOGTWIULVPHMGJ-UHFFFAOYSA-N 346.515 3.934 0 50 EHAA Cc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)c1ccc(F)cc1 20279848 QHFMRSGXMWZKFQ-QGZVFWFLSA-N 340.398 3.686 0 50 EHAA Fc1ccc(OC2CCN(CCn3ncc4ccccc43)CC2)cc1 20542208 PSIWWOYMVJPQFY-UHFFFAOYSA-N 339.414 3.719 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)on2)on1 33269750 XQIIXVKNPSSUTL-OAHLLOKOSA-N 341.342 3.754 0 50 EHAA C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCc2ccccc2C1 36247483 DXBHKRPHTBOWDV-CYBMUJFWSA-N 337.448 3.682 0 50 EHAA O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(F)cc1 44900810 RTHXOYLVCPEMQP-INIZCTEOSA-N 325.343 3.806 0 50 EHAA Cc1oc(-c2ccco2)nc1CN(C)C[C@H]1CCCN(C(C)C)C1 67954385 IPDBDDRENLDHFN-MRXNPFEDSA-N 331.460 3.795 0 50 EHAA CCCc1ncc(CN2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 72435886 HTHYNLBMMHGXGM-MRXNPFEDSA-N 343.446 3.859 0 50 EHAA CCCCc1nc(Cl)c(CN(C)Cc2noc(C(C)C)n2)[nH]1 77452567 DQVBRFJSSVVILP-UHFFFAOYSA-N 325.844 3.544 0 50 EHAA CCCn1cc(C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c(C)n1 91951714 STLGBUSOVXMYSJ-UHFFFAOYSA-N 336.439 3.888 0 50 EHAA CCCc1nc(C(=O)N2CCCOc3c(cccc3OC)C2)cs1 92077013 BIHSFBJAUVGTLN-UHFFFAOYSA-N 346.452 3.529 0 50 EHAA Cc1cnc(CNC(=O)Nc2ccc(OC(C)C)c(Cl)c2)cn1 97528053 DYQHAAWWRVBGCK-UHFFFAOYSA-N 334.807 3.547 0 50 EHAA Cc1csc(CNC(=O)N2C[C@H](c3ccccc3C)C[C@@H]2C)n1 122113493 XJEQBJBMSVZHQI-LSDHHAIUSA-N 329.469 3.848 0 50 EHAA CC(C)[C@H](N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 143486399 OWYDWUOOPZRGNZ-KRWDZBQOSA-N 341.842 3.754 0 50 EHAA C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ncn(-c2ccccc2)n1 154025401 CCPUNBGXKLXOLL-CQSZACIVSA-N 346.390 3.847 0 50 EHAA Cc1ccc(-n2nccc2NC(=O)c2ccc(Cl)cc2Cl)nn1 155670599 RNGNJNFVLRIHHI-UHFFFAOYSA-N 348.193 3.530 0 50 EHAA CC1(C)C[C@H](NC(=O)Nc2ncc(Cc3ccccc3)s2)CCO1 179245205 BWPWKQCJAWWQQH-CQSZACIVSA-N 345.468 3.813 0 50 EHAA Cc1ccccc1Cn1c(NC(=O)c2ccon2)nc2ccccc21 180815714 KICGINHUOBDAOA-UHFFFAOYSA-N 332.363 3.633 0 50 EHAA CC(=O)Nc1ccc(NC2CCC3(CC2)C(=O)Nc2ccccc23)cc1 181952955 UTYILQWLEQPTMY-UHFFFAOYSA-N 349.434 3.890 0 50 EHAA CC(C)n1nnnc1-c1ccccc1NC(=O)c1ccc(Cl)s1 184567456 ARUKBDASSICDDB-UHFFFAOYSA-N 347.831 3.888 0 50 EHAA CC(C)(C)Oc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 186076592 BQAAOQVAXXRGDV-HNNXBMFYSA-N 343.431 3.741 0 50 EHAA O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)C1=CCOCC1 193188154 XOHYSWFOOCNPTA-OAQYLSRUSA-N 349.430 3.564 0 50 EHAA CCN(Cc1cnn(CC)c1)Cc1ccc(CN2CCCCC2)s1 215676519 WCAGZQNQYRVFNF-UHFFFAOYSA-N 346.544 3.973 0 50 EHAA Cc1occc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 225507357 VFBARXJHXBAHOY-DZGCQCFKSA-N 339.313 3.555 0 50 EHAA Cc1coc(-c2cccc(NC(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]34)c2)n1 230129908 PJEHSRKNFQRJCR-GVDBMIGSSA-N 341.411 3.729 0 50 EHAA CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@H](c2nccs2)C2CC2)C1 230150250 MRVLJEBENHSKIY-MCIONIFRSA-N 339.530 3.910 0 50 EHAA Cc1cc([C@@H]2CCCCN2CC(=O)Nc2cccc(F)c2C)no1 244831521 UFGZQFNVUAXAGU-KRWDZBQOSA-N 331.391 3.596 0 50 EHAA C[C@H](c1ccco1)N(C(=O)N[C@H]1CCC[C@H]1n1ccnc1)C1CC1 252512490 RHFILCLBLAAYRO-VNQPRFMTSA-N 328.416 3.505 0 50 EHAA CC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@@](C)(C[C@H]1C)[C@H]3[C@@H]2C 252695341 YMPPYMYJLCYPBO-RPRUUSPGSA-N 330.424 3.751 0 50 EHAA biogenic COC(=O)[C@H]1CC[C@H](C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)CC1 280933427 HQWCEXBFOWRRAQ-POGZOPGASA-N 343.467 3.759 0 50 EHAA C[C@@H]1CN(C(=O)Nc2cnn(C)c2-c2ccccc2)CCC1(F)F 289802348 UZBTXBJBTCEKNM-GFCCVEGCSA-N 334.370 3.596 0 50 EHAA C[C@H](Nc1nc(O)c2ccccc2n1)c1ccc(NC(=O)C2CC2)cc1 299625120 PMFZHRBHKBFNGE-LBPRGKRZSA-N 348.406 3.857 0 50 EHAA CC(C)C[C@H](NC(=O)C1(N2CCCC2)CCCC1)c1cccnc1 299757481 HWJHVYQQSBWKRL-SFHVURJKSA-N 329.488 3.694 0 50 EHAA CCC1=NO[C@@H](CNC(=O)c2cccc(-c3nc(C)c(C)s3)c2)C1 299757654 LTJXPGFLEYYBIK-MRXNPFEDSA-N 343.452 3.712 0 50 EHAA CC(C)(CC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1)C(=O)O 368009921 YGSAFZLCVXESMR-LBPRGKRZSA-N 343.345 3.522 0 50 EHAA O=C(Nc1nc(C2CCC2)cs1)N1CCC(OCC2CC2)CC1 377202299 UFBWYTJAQOBARA-UHFFFAOYSA-N 335.473 3.834 0 50 EHAA CN1CCC[C@@H](CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 426388542 SDTWNASWBZFHHZ-INIZCTEOSA-N 340.442 3.954 0 50 EHAA Cc1cc(C)n(C[C@@H](C)NCCCc2nc3ccc(Cl)cc3[nH]2)n1 821508501 XRIKZCFRNWXAQL-CYBMUJFWSA-N 345.878 3.641 0 50 EHAA CC[C@H](SC)c1nc(-c2ccc(N3CCCOC3=O)cc2)no1 864096803 IKPYELIRFVLPRD-ZDUSSCGKSA-N 333.413 3.897 0 50 EHAA Cc1ccc(NC2(C(=O)N(C)CC3CCOCC3)CCCCC2)cc1 952987945 KRWADDVEHZGMBD-UHFFFAOYSA-N 344.499 3.995 0 50 EHAA Fc1ccc(-c2csc(CNC3CSCCSC3)n2)cc1 1506422359 QPXHZPINXGBXSE-UHFFFAOYSA-N 340.514 3.887 0 50 EHAA Cc1cc(C)cc(CCC(=O)N2CCC(c3ccnc(O)c3)CC2)c1 1772819633 XOSQKSGSHORFKB-UHFFFAOYSA-N 338.451 3.743 0 50 EHAA CCCc1sc(NC(=O)CCOC)nc1-c1ccc(OC)cc1 1875245991 WEBLFCBDZUYMGB-UHFFFAOYSA-N 334.441 3.746 0 50 EHAA CN(Cc1ccccc1)[C@H]1CCN(c2ccc(P(C)(C)=O)cc2)C1 1875303092 VMWVOTVVDXIFSZ-IBGZPJMESA-N 342.423 3.645 0 50 EHAA CCOC(=O)Nc1ccc2c(c1)N(C(=O)NC)c1ccccc1CC2 243688 YSFQGAAYXUZGIT-UHFFFAOYSA-N 339.395 3.831 0 50 EHAA biogenic COc1ccc(CCNC(=O)Nc2ccccc2Cl)cc1OC 266602 IPPPRCWORBHGAU-UHFFFAOYSA-N 334.803 3.721 0 50 EHAA Cc1cc(Br)ccc1OCC(=O)Nc1cccc(F)c1 312145 ANWPREWNGKKVLU-UHFFFAOYSA-N 338.176 3.914 0 50 EHAA Cc1[nH]c2c(Br)cc(Br)cc2c1CCN 1235008 JGCRNIYCSLYWCZ-UHFFFAOYSA-N 332.039 3.503 0 50 EHAA C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2)o1 2830017 JAUGIFPWBMBJBW-TZMCWYRMSA-N 331.441 3.524 0 50 EHAA CCCOc1ccccc1[C@@H]1CC(=O)Nc2cc(OC)c(OC)cc21 2890163 CCOPVBFUNMAZGI-AWEZNQCLSA-N 341.407 3.967 0 50 EHAA CCCOc1ccccc1[C@H]1CC(=O)Nc2cc3c(cc21)OCO3 3957722 FKOKOJREXZYLQF-CYBMUJFWSA-N 325.364 3.678 0 50 EHAA CCO[C@]12ON=C(c3cccc(Cl)c3)N1c1ccc(C)cc1C2=O 4709503 WBLXWFNIJRBLKM-GOSISDBHSA-N 342.782 3.733 0 50 EHAA Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=N[C@H]2O 5116499 ZYISITHKPKHPKG-SFHVURJKSA-N 341.773 3.815 0 50 EHAA world Cc1ccc(-c2cnn3c(NCCCn4ccnc4)cc(C)nc23)cc1 5207269 ZWBWGAABWANNFX-UHFFFAOYSA-N 346.438 3.712 0 50 EHAA CCCCCCOC(=O)CCCCSc1ncnc2nc[nH]c12 5349447 BCVNETBPTYSIOM-UHFFFAOYSA-N 336.461 3.739 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](CCc3ccc(F)cc3F)C2)no1 15073020 KKAJBXCMTYVFNT-CYBMUJFWSA-N 334.366 3.746 0 50 EHAA O=C(COc1ccccc1)Nc1ccc(N2CCCCC2)c(F)c1 16579069 WECJPBINSVAVSW-UHFFFAOYSA-N 328.387 3.834 0 50 EHAA COc1cccc([C@H]2c3cc(OC)c(OC)cc3CNC2(C)C)c1 39347023 KQXZYSHVPPBVCM-IBGZPJMESA-N 327.424 3.726 0 50 EHAA CC[C@@H](Nc1nccc(-c2cn(C)nc2C)n1)c1ccc(F)cc1 48159232 LJRMKZQIVAKJGD-MRXNPFEDSA-N 325.391 3.888 0 50 EHAA CCn1cc(CN(Cc2cc3c(cc2Cl)OCO3)CC(C)C)cn1 55309116 HTEVHXTYWPRPDW-UHFFFAOYSA-N 349.862 3.943 0 50 EHAA C[C@H](O)c1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1 57354902 IPCCAFQOUXFBMM-HNNXBMFYSA-N 338.407 3.564 0 50 EHAA Cc1cc(Cc2nc(C3CC3)nn2-c2cccc(Cl)c2F)on1 65393392 RUZYWDYCCCMQPN-UHFFFAOYSA-N 332.766 3.824 0 50 EHAA Cc1ncnc(N2CCC[C@](CO)(CCCc3ccccc3)C2)c1C 67772934 YJXURGMBTMQCAT-OAQYLSRUSA-N 339.483 3.695 0 50 EHAA CCCc1cc(C(=O)N2CCCC[C@H]2c2ccc(OC)cc2)[nH]n1 91847304 ILEDFMOADZJXMP-SFHVURJKSA-N 327.428 3.738 0 50 EHAA CC(C)c1cc(CN(C)C(=O)c2cccc([C@H]3CCCNC3)c2)no1 95388591 KCCGTVSBZNBDKO-KRWDZBQOSA-N 341.455 3.537 0 50 EHAA Cc1ccc2c(c1)cc(C(=O)N[C@@H](Cn1ccnc1)C(C)(C)C)n2C 97553410 PWQQJYMXGHDYPC-SFHVURJKSA-N 338.455 3.528 0 50 EHAA CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)Nc1cccc(C)c1C)[C@H]2C(=O)O 100502443 RHVMIVDKAZJMAT-DTDBQYNISA-N 325.408 3.711 0 50 EHAA CC(=O)[C@]1(O)[C@@H](C)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936138 RGHGKGRVFXQGOV-UVIRNQNTSA-N 348.527 3.956 0 50 EHAA Cc1nc(CN2CCCN(Cc3cccc4[nH]ccc34)CC2)cs1 157261765 SFGGFDAUSGAROJ-UHFFFAOYSA-N 340.496 3.641 0 50 EHAA O=C(CCc1ccc2[nH]ccc2c1)OCc1cc(-c2ccncc2)n[nH]1 170609314 WAZOYYYWYZFKOB-UHFFFAOYSA-N 346.390 3.629 0 50 EHAA CCN(CC)C(=S)Sc1ccc2nnc(-c3ccccc3)n2n1 171362559 XSUKXWQNLNAMJO-UHFFFAOYSA-N 343.481 3.510 0 50 EHAA CC[C@@H](NC(=O)N1CCC[C@H]1Cn1ccnc1C)c1cccs1 175946016 TXRAQFFTGJQPJP-LSDHHAIUSA-N 332.473 3.578 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCC(F)(F)F 195557133 DMGRZAQDSOHTDC-GFCCVEGCSA-N 332.370 3.606 0 50 EHAA CC(=O)c1ccc(C(=O)N2CCC3(CC2)CNc2ccccc23)s1 215421501 XKEJSTDSACWFPU-UHFFFAOYSA-N 340.448 3.550 0 50 EHAA COCCN(Cc1ccsc1)C(=O)c1cc2cc(F)ccc2n1C 215853154 ADOXJFNLAGPVKS-UHFFFAOYSA-N 346.427 3.668 0 50 EHAA CC(=O)c1cc(CN(C)[C@@H](C)c2ccc3c(c2)OCCO3)cs1 216139114 HSZRRPMEHJBHLB-LBPRGKRZSA-N 331.437 3.915 0 50 EHAA CCS(=O)(=O)c1ccccc1N1CCC[C@@H]1c1ccc(COC)o1 225523248 MKJBQXDEYPDJKC-OAHLLOKOSA-N 349.452 3.561 0 50 EHAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC[C@@H]2C[C@H](C)CC[C@H]21 241287134 LKFBELBFPVKAOR-PPLBCVRQSA-N 329.440 3.642 0 50 EHAA CO[C@]1(C)CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 241961319 URKACPLKSMSOJS-OAHLLOKOSA-N 333.325 3.876 0 50 EHAA Cc1ccc2nc(CN3CCN(C)[C@H](c4ccccc4)C3)[nH]c2c1C 252509465 YOHAVCGTAZYBND-IBGZPJMESA-N 334.467 3.668 0 50 EHAA CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 253606461 OXKFSMXXOYMZJS-SQNIBIBYSA-N 341.430 3.552 0 50 EHAA C[C@H](C(=O)O)c1cccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1 262821281 AVUFEKQQCFVGQV-SUMWQHHRSA-N 339.391 3.631 0 50 EHAA CCc1nc([C@@H]2CCCCN2C(=O)c2nccc3ccccc23)no1 370955854 KVMPIGMXVYUENV-HNNXBMFYSA-N 336.395 3.548 0 50 EHAA Fc1ccccc1CO[C@H]1CCCN(Cc2nnc(C3CC3)s2)C1 450878942 JGSCNCJYQHBVAM-HNNXBMFYSA-N 347.459 3.736 0 50 EHAA Cc1c(O)ccc(-c2ccc(C(=O)N(C)CCCN(C)C)cc2)c1C 584893236 IWCQPADXMRUJBC-UHFFFAOYSA-N 340.467 3.700 0 50 EHAA Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@H]2CCCCN2C)c1 823777492 BRGRIVOURYJNMH-GOSISDBHSA-N 343.471 3.547 0 50 EHAA CC(C)c1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)no1 828224739 ZAHZTCVVYUOXDL-ZDUSSCGKSA-N 330.384 3.608 0 50 EHAA CC(C)CCOC1CCN(c2nnc(Cc3ccccc3)o2)CC1 891876746 RWYVBDQWEUAMSF-UHFFFAOYSA-N 329.444 3.692 0 50 EHAA Cc1nnc(C[C@@H]2CC[C@H](N[C@H]3CCCOc4ccccc43)C2)o1 952889565 BSXVVTWVPYATEE-VYDXJSESSA-N 327.428 3.593 0 50 EHAA C[C@@H]1CCC(=O)N1c1ccc(NC(=O)c2cccc3c2ccn3C)cc1 952979747 PKDJBMASSVDQNH-CQSZACIVSA-N 347.418 3.946 0 50 EHAA Cc1c(F)cccc1C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 1466530148 YSBQAJQZFAKATP-LBPRGKRZSA-N 339.370 3.718 0 50 EHAA CCc1nccn1C[C@@H](C)NCc1cc(-c2cccc(Cl)c2)no1 1506421437 JNFIOJUXAKUOIF-CYBMUJFWSA-N 344.846 3.932 0 50 EHAA CCc1ncoc1C(=O)N1C[C@H](c2ccccc2Cl)OCC1(C)C 1775994428 LXWXTTPBVGUODM-OAHLLOKOSA-N 348.830 3.883 0 50 EHAA C[C@@H]1CN(c2ccc(NC(=O)C3CC(C4CCC4)C3)cc2)CCO1 1875294193 CWXCVGKMMHNHLA-ODIFPOPNSA-N 328.456 3.677 0 50 EHAA COc1ccc(-c2nc(CCCN(C)C)nn2C2CCCC2)cc1 1875322695 BFVINTDHLIAAOM-UHFFFAOYSA-N 328.460 3.563 0 50 EHAA CCOc1cccc(-c2cnc(NC(=O)[C@@H](C)CC3CC3)nc2)c1 1875324200 LUKAOFKBNSRUAK-ZDUSSCGKSA-N 325.412 3.917 0 50 EHAA COc1cncc(CN=[S@@](=O)(c2ccccc2)C(F)(F)F)c1 1875339773 YBQKLOVZORLHDH-JOCHJYFZSA-N 330.331 3.637 0 50 EHAA NC(=O)c1csc(-c2csc(-c3n[nH]c4ccccc34)n2)c1 1875357891 AXMBNUWQOXVBRT-UHFFFAOYSA-N 326.406 3.514 0 50 EHAA O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@@H](c2cnn[nH]2)C1 2325774458 FYVUEBVQULYCCR-MRXNPFEDSA-N 348.406 3.617 0 50 EHAA Cc1cnsc1CN1CCC([C@@H](CC(=O)O)c2ccccc2)CC1 2325789458 RGTVSPZUGATFHG-KRWDZBQOSA-N 344.480 3.922 0 50 EHAA Cc1[nH]c2ccccc2c1CCN1C(=O)OC2(CCCCC2)[C@]1(C)O 36897 MGASALLCUBLWSO-IBGZPJMESA-N 342.439 3.882 0 50 EHAA CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 44473 MJLMZALQZIKYET-INIZCTEOSA-N 348.830 3.844 0 50 EHAA Cc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c(C)c1 108888 JAZXGMOMEKJNCY-MRXNPFEDSA-N 326.421 3.745 0 50 EHAA Cc1ccc2[nH]c(SCC(=O)Nc3ccc(F)c(F)c3)nc2c1 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COc1ccccc1[C@H](C)N(C)c1nncc(-c2ccc(F)cc2)n1 12711283 WUICFAYEJHPKMT-ZDUSSCGKSA-N 338.386 3.884 0 50 EHAA Cc1ccc(NC(=O)CSc2nnc(C)n2CC(C)C)c(C)c1 13942639 IWEIOAOSZWXKLT-UHFFFAOYSA-N 332.473 3.590 0 50 EHAA CN(CCc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 15007093 OTMPLJUKRWEBGB-NRFANRHFSA-N 336.479 3.742 0 50 EHAA Cc1ccccc1CN1CCC[C@@](CO)(Cc2ccccc2F)C1 15063843 AOGRTSVVLADOCG-OAQYLSRUSA-N 327.443 3.951 0 50 EHAA Cc1cc(C(=O)N2CCCC[C@@H]2CCO)c2ccc(C)c(C)c2n1 19227856 NZIMTVKTKBUMEP-MRXNPFEDSA-N 326.440 3.537 0 50 EHAA Cc1cccc(C)c1NC(=O)Cn1c(=O)sc2cccc(Cl)c21 19891232 AWDWVVGUMBOPCK-UHFFFAOYSA-N 346.839 3.972 0 50 EHAA COc1ccc(C)cc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 33088891 HAHQRCRWVOESAA-CYBMUJFWSA-N 348.402 3.688 0 50 EHAA CCOc1ccc(C(=O)CCC(=O)N(C)[C@@H](C)c2ccon2)cc1C 55061100 GFHVQBDTVXTHKJ-AWEZNQCLSA-N 344.411 3.564 0 50 EHAA COC[C@H](c1ccccn1)N(C)C(=O)c1cc2cc(C)ccc2nc1C 55199367 HXEHODDKBJCKMI-HXUWFJFHSA-N 349.434 3.706 0 50 EHAA O=C(OCc1ccccc1)c1ccc(I)cc1 64034134 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Cc1cccn2c(CC(=O)N3CC=C(c4ccc(F)cc4)CC3)cnc12 97694812 RIGBNJUCIJCZSP-UHFFFAOYSA-N 349.409 3.640 0 50 EHAA Cc1nsc2ncc(C(=O)NCCC3Cc4ccccc4C3)cc12 122959013 HPIXBNDOEUPCMH-UHFFFAOYSA-N 337.448 3.535 0 50 EHAA C[C@H]1CN(C(=O)N[C@@H](C)c2cccc(O)c2)C[C@@H](c2ccsc2)O1 151731562 CGGJFDGOPHNFGC-DCGLDWPTSA-N 346.452 3.686 0 50 EHAA Cc1ccc2c(c1)N(C(=O)N[C@H]1CCOC3(CCCCC3)C1)CC2 157430581 MBAMABICHWOQJM-KRWDZBQOSA-N 328.456 3.949 0 50 EHAA Cc1ccccc1Nc1nc(CSc2ncc(CO)n2C)cs1 170654050 SVIJGZVONKSLIQ-UHFFFAOYSA-N 346.481 3.713 0 50 EHAA C[C@H]1CCc2sc(C(=O)Nc3cc(CN(C)C)ccn3)cc2C1 176919010 FHHYKZVBBAUQLA-LBPRGKRZSA-N 329.469 3.582 0 50 EHAA CCc1ccc(-c2nc(CN(C)Cc3noc(C)n3)cs2)cc1 183693155 XISWUVJGRAIZMQ-UHFFFAOYSA-N 328.441 3.696 0 50 EHAA COc1ccc2c(c1)N(C(=O)c1ccc(C)c(C(C)=O)c1)C[C@H](C)O2 194210888 ZMJBBNMFYPZGNT-ZDUSSCGKSA-N 339.391 3.634 0 50 EHAA CCCN1CCC(CNC(=O)N2CC=C(c3ccccc3)CC2)CC1 194936443 ZJDIUQHUXHTELR-UHFFFAOYSA-N 341.499 3.607 0 50 EHAA Cc1nn(-c2ccccc2)cc1CN1CCC(c2ccncc2)CC1 215998616 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C[C@H](C(=O)N1CCC(F)(c2ccccc2Cl)CC1)c1ncccn1 1775988153 PJWFDNYLYZUFHQ-ZDUSSCGKSA-N 347.821 3.721 0 50 EHAA CC(C)c1ccccc1N(C)S(=O)(=O)c1cnn(C2CCC2)c1 1875272342 UYHKLJQGLGLSAW-UHFFFAOYSA-N 333.457 3.557 0 50 EHAA O=C(CCc1nnc(-c2ccncc2)o1)Oc1cccc2c1CCCC2 1875311032 KICJLHKCFXIHTH-UHFFFAOYSA-N 349.390 3.549 0 50 EHAA Cc1cc(Cl)cc(C(=O)N[C@H](C(=O)O)[C@@H]2CCc3ccccc32)c1 1875344974 QLSSJOANTVPRBY-SJORKVTESA-N 343.810 3.561 0 50 EHAA C[C@@H]1CN(Cc2ccc(-c3cnco3)cc2)c2ccccc2NC1=O 1875354344 FASSWQKVPZKREE-CQSZACIVSA-N 333.391 3.936 0 50 EHAA CC(C)(C)c1nnc(NC(=O)[C@]2(C)[C@H]3Cc4ccccc4[C@@H]32)s1 2325727707 FPMLOVFBADEATC-ZJNRKIDTSA-N 327.453 3.750 0 50 EHAA Cc1csc(CO[C@H]2CCN(Cc3cccc4ccncc34)C2)n1 2325784332 VGUMANRBXSBOSB-KRWDZBQOSA-N 339.464 3.791 0 50 EHAA CC(C)[C@@H](CNC(=O)C(C)(C)C1CCC1)NC(=O)[C@@H]1CCCC12CC2 2325794829 SPFOQMGVXDLYFL-DLBZAZTESA-N 348.531 3.650 0 50 EHAA NC(=O)c1ccc(Nc2ccc(-c3cccc(F)c3F)cn2)cc1 2356163496 GFLVCUUBNGZWRB-UHFFFAOYSA-N 325.318 3.869 0 50 EHAA CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21 1850 JBIMVDZLSHOPLA-LSCVHKIXSA-N 337.419 3.590 0 50 EHAA fda COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCC2 35597 JOTHXCSYVNNPGB-UHFFFAOYSA-N 333.384 3.805 0 50 EHAA COc1cc(OC)c(NCc2cccc(OC)c2OC)cc1Cl 410119 IWWXCTHRPAXJRT-UHFFFAOYSA-N 337.803 3.987 0 50 EHAA C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Br)cc1 462153 LZBGBELNWNXASJ-SNVBAGLBSA-N 338.176 3.994 0 50 EHAA CCOC(=O)c1c(NC(C)=O)sc(C)c1-c1ccc(OC)cc1 1051970 TZDQOKNMHQUQAJ-UHFFFAOYSA-N 333.409 3.867 0 50 EHAA CC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 6742608 GSTWJRACTPJKNM-UHFFFAOYSA-N 338.407 3.676 0 50 EHAA C[C@@H]1CCc2nc(NC(=O)c3cc4ccccc4oc3=O)sc2C1 9165770 NOQBWCKRGXMBFL-SNVBAGLBSA-N 340.404 3.627 0 50 EHAA COc1ccc2[nH]c(SCC(=O)Nc3cc(F)ccc3C)nc2c1 9189655 ZHKDFGUHDCHRIC-UHFFFAOYSA-N 345.399 3.750 0 50 EHAA CCOC(=O)C1(CC2CC2)CCN(Cc2ccc(OC)cc2F)CC1 11705553 UWUPTKFUSXZFGD-UHFFFAOYSA-N 349.446 3.780 0 50 EHAA CC(C)c1nc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3)C2)cs1 12058299 IFFPORYURIADGG-IBGZPJMESA-N 347.528 3.605 0 50 EHAA O=C(CC[C@@H]1CCCN(C23CC4CC(CC(C4)C2)C3)C1)NC1CC1 12430620 OJHHAGUGMFYKFQ-SIHNGCNOSA-N 330.516 3.726 0 50 EHAA Cc1cc(S(=O)(=O)NCc2ccccc2F)c(C)cc1Cl 13331411 RJECZVVAZPNMTQ-UHFFFAOYSA-N 327.808 3.574 0 50 EHAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)CC1CC1)O2 14879968 LDSAUVBEZHCNDI-GOSISDBHSA-N 349.430 3.776 0 50 EHAA CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)s1 20617180 XZYUWMYRDNFJAQ-ONGXEEELSA-N 345.346 3.866 0 50 EHAA COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 36620747 ZEMCSSCKANOKLC-INIZCTEOSA-N 340.379 3.793 0 50 EHAA O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1 43176569 QDITZBLZQQZVEE-YBEGLDIGSA-N 333.372 3.621 0 50 EHAA investigational CCn1ncnc1[C@H](NC(=O)c1oc2ccc(C)cc2c1C)C1CC1 65399193 CINCOSPPLYTJSX-MRXNPFEDSA-N 338.411 3.542 0 50 EHAA C[C@@H](O)CCn1cnc(-c2ccccc2)c1-c1cnc(N(C)C)s1 65470224 RHCXCQDEHACTRI-CYBMUJFWSA-N 342.468 3.511 0 50 EHAA CC(C)n1cc(C(=O)NCc2cccc(C(F)(F)F)c2F)cn1 77471800 QPDVRVCUGXHFPM-UHFFFAOYSA-N 329.297 3.552 0 50 EHAA CCCCc1nc2cc(C(=O)N[C@@H](CC)c3nc(C)no3)ccc2o1 95524848 BMAWJXWHEQSMPJ-ZDUSSCGKSA-N 342.399 3.743 0 50 EHAA Clc1cccc2ccc(CN3CCO[C@H](c4cccnc4)C3)nc12 97729562 VRWNUGROCTUYSU-SFHVURJKSA-N 339.826 3.857 0 50 EHAA Oc1c2c(nc3cc(-c4ccc(Br)cc4)nn13)CCCC2 100519142 KCJYNDIIYUOJAI-UHFFFAOYSA-N 344.212 3.743 0 50 EHAA O=S(=O)(c1ccccc1)[C@H]1C[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1C21CC1 101003651 ZISVEJMASMIFOQ-CPJSGKAGSA-N 326.461 3.985 0 50 EHAA Cc1ccccc1C1(C(=O)N2CCO[C@H](c3ccsc3)C2)CC1 120997791 TZYWEZBWCNXBQK-KRWDZBQOSA-N 327.449 3.688 0 50 EHAA CCCOc1cc(F)ccc1NC(=O)c1cc(-c2ccncc2)on1 131313225 MKENZBYQNBYYQT-UHFFFAOYSA-N 341.342 3.917 0 50 EHAA CCc1cc(C)c(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)o1 163499151 IVQZMGVQOJZIJV-INIZCTEOSA-N 335.407 3.791 0 50 EHAA Cc1cc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)ccn1 170592517 AWMSLHMRUPMQKV-MRXNPFEDSA-N 348.410 3.544 0 50 EHAA Cc1[nH]ccc1C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 175682231 XKBUREXWCMJGLO-UHFFFAOYSA-N 349.390 3.593 0 50 EHAA Cc1cc2c(cc1NC(=O)N1Cc3ccccc3C3(CC3)C1)OCO2 187801452 VHJCQCVMWFVWQY-UHFFFAOYSA-N 336.391 3.803 0 50 EHAA CSCc1ccc(C(=O)NCCc2nc3ccccc3s2)o1 218970865 QMXDPCGEXPWDNI-UHFFFAOYSA-N 332.450 3.725 0 50 EHAA COc1cc2c(cc1CN1CCC[C@H]1c1ccco1)OCCCO2 219675785 XEYOUVOWYKOIBL-HNNXBMFYSA-N 329.396 3.787 0 50 EHAA C[C@@H]1C[C@@H]1[C@@H](NCc1cn2cccnc2n1)c1ccc(Cl)cc1 221718295 JVHXYBBXHNRBJZ-DQYPLSBCSA-N 326.831 3.870 0 50 EHAA Cc1noc(C)c1CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 225499906 BKDOUJFTKSEHGF-ZBFHGGJFSA-N 340.345 3.618 0 50 EHAA O[C@@H](c1ccc(F)cc1)C1CCN(CC2Cc3ccccc3C2)CC1 225638608 USSXGFOVFLPNGE-QFIPXVFZSA-N 339.454 3.986 0 50 EHAA COCCN(Cc1cccc(OC)c1)Cc1nc2ccc(C)cc2[nH]1 244594315 DKVCVBFVRNMSDQ-UHFFFAOYSA-N 339.439 3.529 0 50 EHAA C[C@@H](c1cnccn1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 248627494 QCNAYWGTQWLYAL-UONOGXRCSA-N 328.485 3.753 0 50 EHAA C[C@@H]1C[C@H](c2cccnc2)N(Cc2cn3cc(Cl)ccc3n2)C1 253396585 ANERHEYPLKFHOA-CXAGYDPISA-N 326.831 3.966 0 50 EHAA O=C(O)c1cccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 263518639 FYOIWLISKVLDPL-QRVBRYPASA-N 335.403 3.793 0 50 EHAA CC1(C)CN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)[C@H]1C1CC1 291142265 PDUMCOLPSXTGKR-KRWDZBQOSA-N 328.387 3.670 0 50 EHAA CCn1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)N4CCC[C@H]34)no2)cn1 299792713 GCIPLYMFAFHLEI-KSZLIROESA-N 349.438 3.646 0 50 EHAA C[C@H]1C[C@@H](C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CCO1 331551459 JDHPIUQFMAFXIW-AAEUAGOBSA-N 334.416 3.627 0 50 EHAA CN(C(=O)c1cc2n(n1)CCCC2)[C@@H](c1ccccc1)C(F)(F)F 449841411 VJXKUOGAVNPSLL-HNNXBMFYSA-N 337.345 3.595 0 50 EHAA Cc1cnc(CC(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)s1 456771654 LFBNWZYYSINLTG-UHFFFAOYSA-N 332.444 3.760 0 50 EHAA Cc1cccc([C@@H](NC(=O)N2CCSCC2)c2cccs2)c1 534634348 YIRNFDZBPWBLFN-MRXNPFEDSA-N 332.494 3.904 0 50 EHAA Cc1cc(C)n(-c2ccccc2CN2CC[C@@](O)(c3ccccc3)C2)n1 670457651 NUUTUOCFSXIPNM-QFIPXVFZSA-N 347.462 3.583 0 50 EHAA Cc1c(NC(=O)C[C@@H]2CCc3ccccc32)cccc1C(=O)N(C)C 827807460 YZWRBQJHOHUPKM-INIZCTEOSA-N 336.435 3.755 0 50 EHAA O=C(c1cc2ncccc2o1)N(Cc1cccs1)C[C@H]1CCCO1 936034556 QHIRQKGZKKYSHB-CYBMUJFWSA-N 342.420 3.711 0 50 EHAA C[C@@H]1CCCN(c2ccc(Cl)cc2NC(=O)CCCC(=O)O)C1 952967398 ZTUNFGTURQOMPG-GFCCVEGCSA-N 338.835 3.770 0 50 EHAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1ccccc1OC(F)F)C2 1704298002 COSVTFSLMUGVSV-QAPCUYQASA-N 339.382 3.709 0 50 EHAA OC[C@H]1CCC[C@@H](n2ccnc2-c2ccc3c(c2)OC(F)(F)O3)C1 1857727752 ZJZHSDMINMHWTE-WCQYABFASA-N 336.338 3.595 0 50 EHAA Cc1noc(C)c1Cc1nc(-c2ccc3nc(O)oc3c2)cs1 1857784183 MIMRWTZAOUSIEB-UHFFFAOYSA-N 327.365 3.853 0 50 EHAA Clc1nc2[nH]ccc2c(=NCc2ccc(Cl)c(Cl)c2)[nH]1 1875272206 YQWFCRUDACGBND-UHFFFAOYSA-N 327.602 3.952 0 50 EHAA COC[C@H](Nc1ncc2ccccc2n1)c1cc(F)c(F)c(F)c1 2325775741 OWPIDAMLMYIBIQ-HNNXBMFYSA-N 333.313 3.847 0 50 EHAA CN(C(=O)c1cc2ccnc(Cl)c2s1)c1ccc(CN)cc1 2325857083 OPOJDNXQFFMANF-UHFFFAOYSA-N 331.828 3.685 0 50 EHAA NCc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3c3ccon3)cc2)cc1 2325858523 QMRUWVYEGLOCMM-HXUWFJFHSA-N 347.418 3.778 0 50 EHAA O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1cccs1 8850 WMCBPITWUUHVJB-ZDUSSCGKSA-N 327.858 3.927 0 50 EHAA COc1ccccc1NC(=O)CCC(=O)OCc1ccc(Cl)cc1 572007 IVTKHCZDJBRFDS-UHFFFAOYSA-N 347.798 3.811 0 50 EHAA O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2Cl)on1 815154 VJEXWFNMYPVIRD-UHFFFAOYSA-N 342.738 3.976 0 50 EHAA O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(Cl)cc1Cl 2797644 VXBJFZOMMCZVMT-UHFFFAOYSA-N 347.205 3.886 0 50 EHAA Fc1ccc(OCCOCCOc2cccc3cccnc23)cc1 2991191 RBQZKTBJJQZUKK-UHFFFAOYSA-N 327.355 3.848 0 50 EHAA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(C)cc2)cc1 3623789 YYCDUTQPZQNVCW-GOSISDBHSA-N 341.407 3.730 0 50 EHAA CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1 4014063 PTZAIMLHBKSZQD-UHFFFAOYSA-N 336.424 3.529 0 50 EHAA aggregator CCCOc1ccccc1[C@H]1CC(=O)NC(C)=C1C(=O)OCC(C)C 4035706 RVGAXLZZGBFUKT-MRXNPFEDSA-N 345.439 3.552 0 50 EHAA CCOc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1 4750219 CWEKTVDMDJQYFM-UHFFFAOYSA-N 339.370 3.722 0 50 EHAA CCC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1 4857737 BEDKTUDQVXUREP-ZDUSSCGKSA-N 338.432 3.845 0 50 EHAA CCCOc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 13331545 WFZBWUCRXBKWCM-UHFFFAOYSA-N 342.414 3.577 0 50 EHAA CCS[C@@]1(CCC(=O)OC)C(C)=C(C)C(=O)N1Cc1ccccc1 15746358 JBCUSBXVRZEKFM-IBGZPJMESA-N 347.480 3.768 0 50 EHAA O=C(NCc1ccco1)C1CCN(Cc2cccc3ccccc23)CC1 15855962 PAIMREPVHMFKGB-UHFFFAOYSA-N 348.446 3.961 0 50 EHAA COc1cccc(NC(=O)c2nnn(-c3ccccc3)c2C(C)C)c1 16652457 UNQPUISWECRJTB-UHFFFAOYSA-N 336.395 3.652 0 50 EHAA Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(F)cc2)c1C 20279704 UFFKZYXZQFYCRM-GOSISDBHSA-N 340.398 3.686 0 50 EHAA Clc1cc(N2CCC[C@@H](OCc3cccnc3)C2)nc2[nH]ccc12 72127304 YTTQFNMMNMQLST-CQSZACIVSA-N 342.830 3.797 0 50 EHAA CCc1cc(NC[C@H](c2cccs2)N(C)C)n2nc(C)c(C)c2n1 72477240 QNCTYULPKHTXFV-OAHLLOKOSA-N 343.500 3.685 0 50 EHAA C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccc2c(c1)CCC2 153868354 SJCSZKKMOFNJBW-GFCCVEGCSA-N 333.453 3.996 0 50 EHAA O=C(NCc1ccnc(OC2CCC2)c1)c1c[nH]c2cccc(F)c12 158673165 NPYMXXWPCYBBAY-UHFFFAOYSA-N 339.370 3.563 0 50 EHAA CO[C@@H](C(=O)N(C)[C@@H]1CCCc2nc(C)sc21)c1ccccc1 163260367 NNWWPCNLLILCIB-HZPDHXFCSA-N 330.453 3.675 0 50 EHAA CC(=O)c1ccc(N2CCN(Cc3cc(F)ccc3C)CC2)c(F)c1 170592994 WJRBXUWNVJXNPD-UHFFFAOYSA-N 344.405 3.798 0 50 EHAA COC(=O)c1cccc2c1CCCN2Cc1nc(C)c2ccccc2n1 170623140 HGXKSYQLFCDZCT-UHFFFAOYSA-N 347.418 3.678 0 50 EHAA O=C(Nc1ccc(-n2ccnn2)cc1)N1CCC[C@H]1C1CCCCC1 171159927 ZLZOCZYIGJUMDL-SFHVURJKSA-N 339.443 3.844 0 50 EHAA O=C(CCc1ccc(O)cc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 183914153 FIGRXHSQHQVOIG-KRWDZBQOSA-N 327.399 3.555 0 50 EHAA COCCN(Cc1ccccc1Cl)C(=O)c1nc(C)sc1C 215388209 TUVJBFDNCBCCQO-UHFFFAOYSA-N 338.860 3.702 0 50 EHAA COC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 238393864 UVRJGRWQUNMKBL-UHFFFAOYSA-N 330.178 3.583 0 50 EHAA COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 242389608 ZYTUZJMSYCDFLF-BBHNUMAXSA-N 325.452 3.836 0 50 EHAA CC[C@H](NC(=O)C(=O)N[C@H](c1ccccc1)C(C)C)c1ccccc1 252488080 IIXPALUCZKQOBF-OALUTQOASA-N 338.451 3.767 0 50 EHAA O=C(CCCc1nc(O)c2ccccc2n1)Nc1cccc2[nH]ccc12 252492136 MDTXPSSUOJISTI-UHFFFAOYSA-N 346.390 3.778 0 50 EHAA Cc1cc(CN2CCCC[C@H]2C(=O)O)ccc1Oc1cccnc1 263376294 AQCFOZBIRARLKA-KRWDZBQOSA-N 326.396 3.621 0 50 EHAA COc1cccc(F)c1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 266862961 VFARWTYDBFDQOK-HNNXBMFYSA-N 345.370 3.644 0 50 EHAA O=C(c1cccc([C@@H]2CCOC2)c1)N(CC(F)(F)F)C1CCC1 270643208 KRXYCODAQZQKDU-CQSZACIVSA-N 327.346 3.748 0 50 EHAA Cc1nc(C)c(S(=O)(=O)N(C)c2ccc(C)c(Cl)c2)s1 331202757 BQKPRWXALDROSB-UHFFFAOYSA-N 330.862 3.547 0 50 EHAA CN(C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ccn(C)n1 331224756 DLKPFQYQRCNYLS-UHFFFAOYSA-N 343.471 3.997 0 50 EHAA CC(C)(C)[C@@H]1OCC[C@H]1c1noc([C@H]2OCCc3ccccc32)n1 333647520 YKAIMSBMSJLSGC-OWCLPIDISA-N 328.412 3.650 0 50 EHAA CC(C)n1nccc1[C@@H]1OCC[C@H]1c1nc(CCC(F)(F)F)no1 340580839 WUEISURXPGKYAS-ZWNOBZJWSA-N 344.337 3.587 0 50 EHAA Cc1ccc(F)cc1-c1ccc(C(=O)N(C)C[C@@H]2CCCNC2)cc1 426527980 PKILOBWJEPNBNY-MRXNPFEDSA-N 340.442 3.873 0 50 EHAA CCc1nc(C)c(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)o1 557513487 BARBCAIAOWSMJB-UHFFFAOYSA-N 345.399 3.984 0 50 EHAA COc1ccc2[nH]c3c(c2c1)CN(Cc1nc(C)sc1C)CC3 670452223 VITBYWAHMPPOET-UHFFFAOYSA-N 327.453 3.808 0 50 EHAA Cc1oc(C(C)C)nc1C(=O)Nc1ccc(C[C@H](C)C(=O)O)cc1 909523566 ONKOLVDVWOITKG-NSHDSACASA-N 330.384 3.622 0 50 EHAA O=C(O)CC1(CC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CCCC1 911458586 NSTXDAHYIXILQD-QGZVFWFLSA-N 344.455 3.515 0 50 EHAA Cc1cnn(C2CCCC2)c1NC(=O)COc1ccc(F)cc1F 1506411682 TWWHFEXXFWNSQM-UHFFFAOYSA-N 335.354 3.602 0 50 EHAA Cc1noc(C)c1C(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1529187662 XHWUWIXXVFLQCU-SJORKVTESA-N 328.412 3.530 0 50 EHAA c1ccc(Oc2ccc(-c3noc([C@@]45CCCN(CC4)C5)n3)cn2)cc1 1875281191 UQQOUVKKTSQSTI-FQEVSTJZSA-N 348.406 3.661 0 50 EHAA CCc1onc([C@H]2CCCOC2)c1C(=O)OCC1(CC2CC2)CC1 1875357456 HZUDVVWEELPMSD-AWEZNQCLSA-N 333.428 3.868 0 50 EHAA CCc1ccccc1OCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 131168 SRMJMKBNEONYAG-UHFFFAOYSA-N 338.359 3.648 0 50 EHAA CCOC(=O)c1ccc(NC(=O)Nc2cc(OC)ccc2OC)cc1 399747 IZSGQZSGJFWNTH-UHFFFAOYSA-N 344.367 3.525 0 50 EHAA Cc1c(C(=O)Nc2nnc(C(F)(F)F)s2)oc2ccccc12 1053903 HGHLBIBEUKQKNI-UHFFFAOYSA-N 327.287 3.864 0 50 EHAA COc1ccc(NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 6698979 QVWUJVFMWRYXFW-GFCCVEGCSA-N 330.384 3.595 0 50 EHAA CCCOc1ccc(C(=O)Nc2nccs2)cc1Br 8723137 PJDYDPXGKCNGAM-UHFFFAOYSA-N 341.230 3.947 0 50 EHAA O=C(CCc1cccc(F)c1)N[C@@H]1CCCN(CC2CCCCC2)C1 11662868 SQJQHHWZHHSWTR-HXUWFJFHSA-N 346.490 3.919 0 50 EHAA O=C(c1nccc2ccccc12)N1CCC[C@H](Nc2ccccc2)C1 15076792 VJFRIABGRUJOJF-SFHVURJKSA-N 331.419 3.952 0 50 EHAA CC[C@@H](C)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 19809242 PGBLKVWWLWQLHW-GOSISDBHSA-N 336.479 3.761 0 50 EHAA c1cc(-c2ccoc2)cc(-c2ccn(CCCN3CCOCC3)n2)c1 20638110 IOBYMDBTOSGULZ-UHFFFAOYSA-N 337.423 3.532 0 50 EHAA CN(C)C(=O)c1cc(-c2cnn(-c3ccccc3)c2)nc2ccccc12 23232335 KCCZFLHDXIVQCL-UHFFFAOYSA-N 342.402 3.789 0 50 EHAA CC(=O)OC[C@@]12CC=C(C)[C@@H](C1)[C@@H](c1ccc(OC(C)=O)cc1)OC2 36390098 MMBDAOJDOBHUNE-VAMGGRTRSA-N 344.407 3.589 0 50 EHAA O=C(Cc1c[nH]c2ccccc12)Nc1cccc(CN2CCCC2)c1 47452186 ZUJGEELLRMIDCM-UHFFFAOYSA-N 333.435 3.945 0 50 EHAA CC[C@@H](CO)N(Cc1ccc(C(F)(F)F)nc1)Cc1ccsc1 55074535 MTGXSQRVWMLQKQ-AWEZNQCLSA-N 344.402 3.935 0 50 EHAA COc1ccccc1-n1nc(CCc2ccccc2)nc1[C@H]1CCCO1 65370196 ZIDRGWOVKUOSIT-LJQANCHMSA-N 349.434 3.913 0 50 EHAA CCc1ccc2oc(=O)cc(CNC[C@H]3OCCc4ccccc43)c2c1 65410491 CXUYMQWSAQLUMW-OAQYLSRUSA-N 349.430 3.759 0 50 EHAA CNc1ncccc1C(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 65527755 XEGJLLOIKMXMQL-NRFANRHFSA-N 349.434 3.594 0 50 EHAA COC(=O)c1sc(Br)cc1NC(=O)OC(C)(C)C 71864183 OQCNMXAYFCAWPE-UHFFFAOYSA-N 336.207 3.644 0 50 EHAA CN(C(=O)Nc1ccccc1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 72163673 WTZDICKUHKHBDV-HXUWFJFHSA-N 349.478 3.782 0 50 EHAA CCc1cccc(NC(=O)N2CCCC[C@H]2CCN2CCCC2=O)c1 72169982 UPNVZMBUPQOCSF-SFHVURJKSA-N 343.471 3.648 0 50 EHAA CN(CCO)Cc1cc2cc3c(cc2nc1-c1cccs1)CCC3 72457423 JPZKCOGTGMBPAM-UHFFFAOYSA-N 338.476 3.876 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)N3CC(c4cccnc4)C3)c2c1 77534776 UPMQMMQQSJHKNL-UHFFFAOYSA-N 331.419 3.795 0 50 EHAA CN(C)[C@H]1CCCCN(Cc2cc(CN3CCCCC3)cs2)C1 82100203 XMDTWLSOPNLSQQ-SFHVURJKSA-N 335.561 3.650 0 50 EHAA CC(C)(C)NC(=O)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 91426994 VLQQZDPPGNCJGH-HNNXBMFYSA-N 348.397 3.626 0 50 EHAA Cc1[nH]nc(CN2CCC[C@H]2c2ccc(CN(C)C)cc2)c1Cl 97294760 UJPLQEAUXNJNCA-KRWDZBQOSA-N 332.879 3.770 0 50 EHAA Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)s1 135453259 GHJPQYPSWKRKNZ-OAHLLOKOSA-N 347.488 3.753 0 50 EHAA COC(=O)c1ccc(CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 139173254 OOWIABLDBGPPCI-UHFFFAOYSA-N 333.428 3.663 0 50 EHAA COc1ccccc1Nc1ncncc1-c1nc(-c2ccccc2)no1 169780205 FNOMRTXLRJMONV-UHFFFAOYSA-N 345.362 3.946 0 50 EHAA Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1C 170644871 OEJVAIBEWPDLPP-OKYOBFRVSA-N 342.483 3.963 0 50 EHAA C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ncccc1-c1ccccc1 181441232 QZMXOGWEQUHKIZ-RDJZCZTQSA-N 340.423 3.661 0 50 EHAA CN(CCCc1nccn1C)Cc1ccc([C@H]2CCCCO2)s1 215440005 KMKGESLSCHCURV-MRXNPFEDSA-N 333.501 3.788 0 50 EHAA CC1(C)[C@H](NC(=O)Nc2cccc(-c3nccs3)c2)[C@@H]2CCO[C@H]21 230096524 UJRDTAAVFPTGDA-RRFJBIMHSA-N 343.452 3.745 0 50 EHAA O=C(Nc1cccc(CO)c1)c1ccc(Cl)cc1Br 230202042 AHQUYSSKDVXKAE-UHFFFAOYSA-N 340.604 3.847 0 50 EHAA Cn1nc(-c2ccco2)cc1NC(=O)NC1(c2ccccc2)CCC1 241657660 PYEYHBGVUVLGHK-UHFFFAOYSA-N 336.395 3.881 0 50 EHAA CC(C)Cc1noc(CN(C)Cc2cncn2C2CCCCC2)n1 244773824 PHFPSUOKESBDGR-UHFFFAOYSA-N 331.464 3.602 0 50 EHAA CSc1cccc(F)c1C(=O)Nc1cc2c(O)ncnc2cc1F 253630224 UOPWRQCFCZZEID-UHFFFAOYSA-N 347.346 3.588 0 50 EHAA O=C(O)[C@@H]1CCCCN1Cc1nc(-c2c(F)cccc2F)cs1 263563874 DPNRJENYAHONLL-ZDUSSCGKSA-N 338.379 3.527 0 50 EHAA Cc1cc([C@H]2CCCN(C(=O)c3occc3-c3ccccc3)C2)[nH]n1 283419215 URFQYPVLQUEAEZ-INIZCTEOSA-N 335.407 3.998 0 50 EHAA Cc1ccc2sc(C(=O)N3CCCC[C@H]3c3nnc[nH]3)cc2c1 296535502 XEQCXSRVVGPLLI-ZDUSSCGKSA-N 326.425 3.695 0 50 EHAA CC(C)=CCC/C(C)=C/CNC(=O)C[C@@H]1NC(=O)c2ccccc21 299762004 UBSUQIKTWWJJEK-OTMARIDSSA-N 326.440 3.670 0 50 EHAA C=CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccsc1 328597613 IBGREEQQBDQEDJ-UHFFFAOYSA-N 331.437 3.523 0 50 EHAA Cc1ccc(CNC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)s1 328630534 JLMQORNTZZVPEB-NSHDSACASA-N 329.391 3.624 0 50 EHAA O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(Cc2cc(-c3ccco3)on2)C1 340241056 XMDOMIGGJOPUJF-CZUORRHYSA-N 346.333 3.521 0 50 EHAA O=C(c1cncc2ccccc12)N1CC[C@H](COCc2ccccc2)C1 358925285 MPLXBCJGCLLALB-SFHVURJKSA-N 346.430 3.914 0 50 EHAA O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cccc(F)c1 364483207 MQTHGORCALRWAH-UHFFFAOYSA-N 328.318 3.592 0 50 EHAA Brc1cncnc1N[C@@H](c1ccccc1)C1CCOCC1 366235347 JTLQQCQPGYSMFX-HNNXBMFYSA-N 348.244 3.819 0 50 EHAA CCS(=O)(=O)CCCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 367157977 QDYMEZZXUOPZEX-VAMGGRTRSA-N 349.540 3.860 0 50 EHAA O=C(Cc1cccc(C(=O)O)c1)Nc1cccc(Oc2ccncc2)c1 432106561 JSMCRQBNCWHKEC-UHFFFAOYSA-N 348.358 3.753 0 50 EHAA COc1ccc(Cn2nc(C3CC3)nc2Cc2csc(C)n2)cc1 670436153 BODINPVOGAAPOP-UHFFFAOYSA-N 340.452 3.568 0 50 EHAA O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 730838891 WQQOBGOGNBQGCR-JTQLQIEISA-N 349.761 3.884 0 50 EHAA Clc1cccc(Cl)c1Cc1n[nH]c(CCCn2cccn2)n1 825591414 OJAZIPRAAWOLTN-UHFFFAOYSA-N 336.226 3.532 0 50 EHAA CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc3n2CCCCCC3)C1 865214492 TVZRHQYYZXYFKL-CQSZACIVSA-N 334.464 3.509 0 50 EHAA Fc1ccc(CNCc2cnc3n2CCOC3)cc1-c1cccs1 898270969 PUFXUGLPMHNTOG-UHFFFAOYSA-N 343.427 3.571 0 50 EHAA Cc1ccc(CC(=O)Nc2ccc(N3C(=O)CC[C@@H]3C)cc2)cc1F 952966842 KILKRASEEVLPST-AWEZNQCLSA-N 340.398 3.831 0 50 EHAA C[C@@H]1CCCCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 1261015765 NGBBWHOMVIXZSD-SNVBAGLBSA-N 339.354 3.655 0 50 EHAA Oc1cc(C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)ccn1 1772810522 JGRMPMDMLDIEGD-UHFFFAOYSA-N 346.814 3.549 0 50 EHAA Cc1ccc(C)c(OCCCN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)c1 1775980988 NABVNFUUHJRRSW-IBGZPJMESA-N 346.515 3.651 0 50 EHAA O=C(C[C@H](Cc1ccccc1)C(=O)O)Nc1ccc2scnc2c1 1875361314 XCVCJSQDNWZRIO-ZDUSSCGKSA-N 340.404 3.568 0 50 EHAA C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccc2ccccn12 2100482701 RUHTUXNHFGMAMV-AWEZNQCLSA-N 336.391 3.544 0 50 EHAA Cc1cc(N2CCC[C@@H](NCc3csc4ccccc34)C2)ncn1 2325699975 LJLOYIVXLLLBBL-MRXNPFEDSA-N 338.480 3.758 0 50 EHAA O=C(O)C[C@@H]1CCN(Cc2cc3ncccc3s2)CCC1(F)F 2325788305 XEVPWHVBDHBBBU-NSHDSACASA-N 340.395 3.618 0 50 EHAA CN(C)c1ccc(-c2ccnc(N(C)CCC[C@@H]3CCCO3)n2)cc1 2356152754 ZOZIQKDFHQHIBY-GOSISDBHSA-N 340.471 3.605 0 50 EHAA O=C1c2cccnc2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 77423 VGXCBODUOCCHEA-UHFFFAOYSA-N 341.326 3.690 0 50 EHAA Cn1c(SCc2cccc(F)c2)nc2c([nH]c3ccccc32)c1=O 213989 WRCDMROSJAMMNR-UHFFFAOYSA-N 339.395 3.846 0 50 EHAA O=C(Nc1ccc(I)cc1)c1cccc(F)c1 235896 UGKBLMYEBVEDQZ-UHFFFAOYSA-N 341.123 3.683 0 50 EHAA O=C(CSCc1cccc(Br)c1)NCc1ccco1 286256 RVTVATOMBRQRAV-UHFFFAOYSA-N 340.242 3.592 0 50 EHAA COC(=O)COc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 457421 RPVHEUVSDLOCSL-UHFFFAOYSA-N 344.750 3.665 0 50 EHAA O=C(Nc1ccccc1F)c1ccn(COc2ccc(F)cc2F)n1 2786834 OAKKBFRVMDRCSY-UHFFFAOYSA-N 347.296 3.589 0 50 EHAA C[C@H](NC(=O)c1cc(Br)ccc1Cl)c1ccncc1 2872896 GIIFVCYFVNHZLX-VIFPVBQESA-N 339.620 3.989 0 50 EHAA CCc1ccc(OCCSc2nc3ccccc3n2CCO)cc1 2918764 DEQANEUWUKWAEE-UHFFFAOYSA-N 342.464 3.762 0 50 EHAA CCOc1cccc([C@H]2CC(=O)Nc3cc(OC)cc(OC)c32)c1 4488992 KGSHEUAYCZNEHI-OAHLLOKOSA-N 327.380 3.577 0 50 EHAA COc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 4840750 WBSXKSZFZIAVSF-UHFFFAOYSA-N 338.407 3.574 0 50 EHAA CC(=O)c1nn(-c2ccc(F)cc2)nc1N[C@H]1CCc2ccccc21 4858251 SQAGFRBNWOHXRA-KRWDZBQOSA-N 336.370 3.708 0 50 EHAA COc1cc(CNC[C@H]2CCCO2)ccc1OCc1cccc(C)c1 5019350 SIHMHIXGRSYBON-LJQANCHMSA-N 341.451 3.851 0 50 EHAA O=C(NCc1ccccc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 6744148 ZEVIVQIRSUEQBT-UHFFFAOYSA-N 347.296 3.685 0 50 EHAA COc1cccc2c(C)cc(S[C@@H](C)C(=O)N3CCCC3)nc12 11907475 VXCJQYBUDMCBRK-ZDUSSCGKSA-N 330.453 3.655 0 50 EHAA Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NCc1ccccn1 14979490 SREVDHUNZCQGRP-OAHLLOKOSA-N 339.487 3.800 0 50 EHAA CSCC[C@H](C)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 15064826 SVUUCCCTDHFLLR-LBPRGKRZSA-N 346.452 3.570 0 50 EHAA O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1ccc(F)cc1 20302165 IOWUBOSQHCJMLN-INIZCTEOSA-N 346.789 3.722 0 50 EHAA CCc1cccc(CC)c1NC(=O)c1cn2c3c(cccc3c1=O)CC2 33089050 PYJKRMIHQBYYJA-UHFFFAOYSA-N 346.430 3.935 0 50 EHAA CC(C)C[C@H](C)NC1CCN(c2ccc(-n3cccn3)cc2)CC1 63845092 HXMKGJFVTDAHKT-KRWDZBQOSA-N 326.488 3.865 0 50 EHAA COc1ccc(OC)c(-c2nc(Cn3nc(C)cc3C)c(C)o2)c1 67473398 DUFAGVYHRFSMKL-UHFFFAOYSA-N 327.384 3.529 0 50 EHAA Cc1cc(C(=O)N(C)[C@H](C)Cc2ccccn2)c2ccc(F)cc2n1 67755690 VHORHPKAORUKAD-CQSZACIVSA-N 337.398 3.781 0 50 EHAA O=S(=O)(Nc1nnc(C2CCCCC2)o1)c1ccc(Cl)cc1 71770870 WEEIRBVNPBVCAR-UHFFFAOYSA-N 341.820 3.572 0 50 EHAA O=C(Nc1ccc(CN2CCCC2)cc1)c1ccccc1[C@H]1CCNC1 72126670 RVFPAAFGMQKSCO-SFHVURJKSA-N 349.478 3.612 0 50 EHAA Cc1cc2c(cc1-c1cn([C@@H](C)CCc3ccco3)nn1)OCO2 91650684 NQJFDVRBPDKTCH-ZDUSSCGKSA-N 325.368 3.769 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](c3ccc(C(=O)O)cc3)C2)c(C)o1 95354480 XXXDQPYUFCZHJH-MRXNPFEDSA-N 327.380 3.614 0 50 EHAA COc1cccc2c1OC[C@@H](Cc1ccc(Cn3ccnc3)cc1)C2 95504465 SRKLFMDTKPQGPR-SFHVURJKSA-N 334.419 3.734 0 50 EHAA COc1ccc(Oc2ccc(NC(=O)NC3CCOCC3)cc2)cc1 95517915 ROHYRNJZHZDOMP-UHFFFAOYSA-N 342.395 3.788 0 50 EHAA CN(C)CCOC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 95918192 WWDLLPBJXFBSGW-NBVRZTHBSA-N 329.827 3.985 0 50 EHAA FC1(F)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 96028447 IIFCHNCTXPIASW-UHFFFAOYSA-N 330.165 3.891 0 50 EHAA COc1ccc(NC(=O)NCCCSCc2cccc(C)c2)cn1 97463562 HIJKRMPLCQZGLH-UHFFFAOYSA-N 345.468 3.844 0 50 EHAA CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](C(C)(C)C)CC1 170629271 BVVUUIJGEKCINI-OAHLLOKOSA-N 330.538 3.644 0 50 EHAA CCC(C)(C)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 170636272 PMEGEASHHAFAME-UHFFFAOYSA-N 340.349 3.513 0 50 EHAA CC1(C)CCN(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)C1 175605349 VUOIMKMHJSLJTQ-OAHLLOKOSA-N 332.444 3.898 0 50 EHAA CCc1ccc(-c2nc(CN3CCCC[C@]3(C)C(N)=O)cs2)cc1 185885407 NWPGNMQZNYGDSM-LJQANCHMSA-N 343.496 3.602 0 50 EHAA COc1cccc(Cl)c1CNC1CCN(c2nccs2)CC1 188468619 ZTOXFUHTZDPTLZ-UHFFFAOYSA-N 337.876 3.564 0 50 EHAA Cc1nc(CC2CC2)sc1C(=O)N[C@H]1CCOc2c(F)cccc21 189226568 MYWOTSZDKGUSQO-AWEZNQCLSA-N 346.427 3.797 0 50 EHAA CC(=O)c1cc(CN2CCN(Cc3cccc(Cl)c3)CC2)cs1 223405140 GTKVOMCAHLMEGT-UHFFFAOYSA-N 348.899 3.922 0 50 EHAA O=C(Nc1ncc(-c2ccccc2)cn1)c1cc2ccccc2c(=O)o1 225704657 IZQPPFYGYWYMII-UHFFFAOYSA-N 343.342 3.502 0 50 EHAA Cc1cc(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)c(C)s1 237790735 LAFFTKJXEFKVFQ-UHFFFAOYSA-N 339.800 3.734 0 50 EHAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1nc(N2CCCC2)ncc1Cl 239475414 AOBMYGCOJOQLTI-VNHYZAJKSA-N 348.878 3.523 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ncc(-c2ccccc2)o1 274786033 MBSDUOIOZVPWBB-XHSDSOJGSA-N 326.396 3.559 0 50 EHAA Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N1C[C@H]2[C@@H](C1)C2(C)C 281371204 RASXKQJCTUVYKV-GASCZTMLSA-N 344.846 3.954 0 50 EHAA CC(C)(NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1cccc(F)c1 283286081 XPNQPTXLSKOCBI-INIZCTEOSA-N 340.442 3.813 0 50 EHAA Cc1c(CC(=O)N(CC2CCC2)[C@@H](C)c2ccccc2)cnn1C 292625647 CFFYEJFYRYOEKE-INIZCTEOSA-N 325.456 3.661 0 50 EHAA O=C(N[C@@H]1CCO[C@H](c2cccnc2)C1)N1CCCC12CCCCC2 334090298 NUXDXIONXOOFIF-MSOLQXFVSA-N 343.471 3.810 0 50 EHAA c1cn(C2CCCC2)nc1CN1CC2(CCC2)[C@@H]1C1CCOCC1 425549959 HZCWWPDUDNDFFY-IBGZPJMESA-N 329.488 3.779 0 50 EHAA C[C@@H](c1cccc(-c2ccc(C(=O)O)cc2CO)c1)N1CCCC1 534644735 KRMLRMYLUGBMJI-AWEZNQCLSA-N 325.408 3.701 0 50 EHAA Cn1ncc(NC(=O)N[C@@H]2CCCC23CCCCC3)c1C(F)F 666457494 IOQHGKYHTVMZCY-GFCCVEGCSA-N 326.391 3.982 0 50 EHAA CC(C)OC[C@@H]1C(=O)N(c2cccc(-c3cccs3)c2)C(=O)N1C 672087640 ZIQVJSXNHIHIJL-OAHLLOKOSA-N 344.436 3.607 0 50 EHAA CCCOc1nc2ccccc2cc1C(=O)N1CCC[C@H](COC)C1 932735965 NYZJEEMWAGPTLY-HNNXBMFYSA-N 342.439 3.522 0 50 EHAA COCC[C@@H](NC(=O)C(C)(C)c1ccccc1Cl)c1cccnc1 1349632734 KRSKEKZONVEAOE-QGZVFWFLSA-N 346.858 3.907 0 50 EHAA COc1cccc2c1OCCCN([C@H]1CCN(c3ccccc3)C1)C2 1506407986 ZWNIQCGCFJUJHP-IBGZPJMESA-N 338.451 3.559 0 50 EHAA O[C@@H]1C[C@@H]2CN(Cc3ccccc3OCc3ccc(Cl)cc3)C[C@@H]21 1772707986 AGDUBEJGKJWIPO-NZSAHSFTSA-N 343.854 3.732 0 50 EHAA Cc1cc(-c2nc(-c3cc(Cl)ncc3N)no2)nn1[C@@H](C)C1CC1 1776006365 SFLUPVJVKQZDKD-VIFPVBQESA-N 344.806 3.510 0 50 EHAA C[C@@]1(C(=O)O)C=CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1857783530 WSTHUBAATYEBLH-NRFANRHFSA-N 349.386 3.651 0 50 EHAA CC(=O)c1cccc(OS(=O)(=O)c2cc(C)c(Cl)cc2C)c1 1857795531 RJBQKTFMFYVRSM-UHFFFAOYSA-N 338.812 3.927 0 50 EHAA Cc1cnc(-c2cccc(NC(=O)c3cc(-c4ccco4)[nH]n3)c2)[nH]1 1875323027 SVVUUUGOMITTMI-UHFFFAOYSA-N 333.351 3.621 0 50 EHAA Clc1ccc([C@H](NCc2cncc3c2CCC3)c2cn[nH]c2)cc1 2325777979 USGGGPFIKJHWJL-IBGZPJMESA-N 338.842 3.826 0 50 EHAA CN1CCC[C@]2(CCCN2Cc2ccc(OC3CCCC3)cc2)C1=O 2356140528 LVEZJVHFSNOODF-NRFANRHFSA-N 342.483 3.595 0 50 EHAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3cc4ccccc4s3)C[C@H]21 2356168346 ZRCMVDGYMAGKLG-KHYOSLBOSA-N 329.465 3.915 0 50 EHAA CCOC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 227480 NTYNVLDMZUUGBQ-MRXNPFEDSA-N 331.799 3.701 0 50 EHAA O=C(CCC(=O)Nc1ccc(F)c(F)c1)Nc1ccc(F)c(F)c1 473571 WPDGJJVHXXIOFX-UHFFFAOYSA-N 340.276 3.600 0 50 EHAA O=C(OCC[C@H]1Oc2ccc(Cl)cc2NC1=O)C1CCCCC1 1386281 TWYNPTVBCVLSFF-OAHLLOKOSA-N 337.803 3.553 0 50 EHAA N=C(N)c1ccc2oc(/C=C/c3cc4cc(C(=N)N)ccc4o3)cc2c1 1763406 MBFLUZMECMTQLU-ONEGZZNKSA-N 344.374 3.918 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0 50 EHAA C=CC(=O)NCc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1 110574240 UBNYPLWDFNWSSD-VQTJNVASSA-N 348.446 3.555 0 50 EHAA CC(C)(C(=O)N1CC[C@H](Oc2cccnc2)C1)c1cccc(Cl)c1 123146442 XKGDSKQKNYIDRG-KRWDZBQOSA-N 344.842 3.693 0 50 EHAA Cc1cnc(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)s1 152051770 UFPKAVKQNRQZDQ-UHFFFAOYSA-N 335.404 3.828 0 50 EHAA COc1ccc2c(CC(=O)N(C)Cc3cc(Cl)cn3C)coc2c1 153986780 KYXSLJOZDIBEHL-UHFFFAOYSA-N 346.814 3.634 0 50 EHAA O=C1C[C@@H](c2noc(-c3ccc(F)c(F)c3)n2)CN1C1CCCCC1 169762216 ZYNHVJZUERDHRB-GFCCVEGCSA-N 347.365 3.663 0 50 EHAA C[S@](=O)C[C@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 173141879 CMCQXHHHMIPKRX-SBUREZEXSA-N 349.883 3.509 0 50 EHAA COc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)c(OC(C)C)c1 189943339 VVNZTIAKHFOCOF-QGZVFWFLSA-N 341.407 3.736 0 50 EHAA C[C@H](CC(=O)N1C[C@H](C(=O)O)c2ccccc21)c1ccc(F)cc1F 192939697 JBSGCGFUUMQBLT-ABAIWWIYSA-N 345.345 3.673 0 50 EHAA CCOc1ccc(Oc2ccc(NC(=O)[C@@H](C)CNC)cc2)cc1 236859520 HGASRXBHORMLKW-AWEZNQCLSA-N 328.412 3.672 0 50 EHAA 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330.384 3.679 0 50 EHAA Cc1ccc(S(=O)(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 8992748 UPNHMDZBIWUHLU-KRWDZBQOSA-N 343.452 3.547 0 50 EHAA Cc1cccc(OCC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1 10296759 SRPPFASCGNPQAL-IBGZPJMESA-N 341.407 3.570 0 50 EHAA CC1CCN(CCCNC(=O)c2ccc(Cl)cc2Cl)CC1 10540224 SDDKQDGCAMKOQK-UHFFFAOYSA-N 329.271 3.845 0 50 EHAA CCn1ncc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c1C 14949039 HAXNYXKWJFGLGJ-INIZCTEOSA-N 345.874 3.960 0 50 EHAA COc1ccc(OC)c(NC(=O)N[C@H]2CCCc3ccccc32)c1 15952128 PRWCKQVXYQOPSF-INIZCTEOSA-N 326.396 3.903 0 50 EHAA Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccccc3)C2)CC1 20538695 RJWOSVQCFNIABQ-JOCHJYFZSA-N 349.522 3.782 0 50 EHAA Cc1ccc(-c2nc(CN(C)C[C@H]3Cc4ccccc4O3)c(C)o2)o1 20784875 HWJFCWFORVSKRA-MRXNPFEDSA-N 338.407 3.987 0 50 EHAA CC(C)(C)OC(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 39049682 XJVWIJJRQGZWEZ-UHFFFAOYSA-N 332.400 3.543 0 50 EHAA CCN(CC)CCn1cnc(-c2ccccc2)c1-c1cnn(CC)c1 65395806 ZRGXYPNLVBLCLE-UHFFFAOYSA-N 337.471 3.775 0 50 EHAA 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0 50 EHAA Cc1nc(NC(=O)[C@@H]2CO[C@@H](C)C2)sc1Cc1ccc(F)cc1 331445695 OEOYNSBUDQKXBU-GWCFXTLKSA-N 334.416 3.545 0 50 EHAA O=C1CC[C@H](c2cccc(NC(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)c2)N1 333802064 OFUAPPDKMRIBAW-MJSCVDMRSA-N 341.455 3.728 0 50 EHAA Cn1c(C(=O)N[C@H]2COC3(CCCCC3)C2)cc2cc(F)ccc21 426705884 UPWILIDCTXTAQC-OAHLLOKOSA-N 330.403 3.539 0 50 EHAA CCc1ccc(S(=O)(=O)Cc2cc(F)ccc2OC(F)F)cc1 657259480 GNAUUANGCQYKOT-UHFFFAOYSA-N 344.354 3.963 0 50 EHAA O=C1c2ccccc2C[C@@H]1OC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 770004137 JIKIVYIRSUYXGG-BBWFWOEESA-N 326.779 3.794 0 50 EHAA Cn1nc(C(=O)N2CCCCC[C@@H]2C(F)(F)F)c2ccccc21 906189393 YNSOJKPTTZUTFK-CYBMUJFWSA-N 325.334 3.520 0 50 EHAA CC(C)c1ncc2c(n1)CN(C(=O)c1ccc(F)c3occc13)CC2 933764893 WCBCMGARAMCNTC-UHFFFAOYSA-N 339.370 3.684 0 50 EHAA COc1ncccc1C(=O)N(Cc1cccc(SC)c1)C(C)C 1506402034 HIQNKJOEWOUCAY-UHFFFAOYSA-N 330.453 3.863 0 50 EHAA CCCn1nc(C)c(NC(=O)CSc2cccc(OC)c2)c1C 1529186384 YAGILSIQSTYALN-UHFFFAOYSA-N 333.457 3.649 0 50 EHAA C[C@]1(O)CCN(c2nc(-c3ccccc3)no2)C[C@H]1Cc1ccccc1 1565526194 KZIAFVZOHPWZQN-NQIIRXRSSA-N 349.434 3.557 0 50 EHAA CC(C)SCc1nnc2sc(-c3c[nH]c4ccccc34)nn12 1775972268 QNOSDXNBUMXUKX-UHFFFAOYSA-N 329.454 3.976 0 50 EHAA C=CC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 1775997131 AIPWIUQDNIIVEI-UHFFFAOYSA-N 335.285 3.821 0 50 EHAA CC(C)(C)c1coc(CN2CCC[C@@H](c3nc(C(=O)O)cs3)C2)n1 1875283255 LHBOOWAGTQDUAJ-LLVKDONJSA-N 349.456 3.506 0 50 EHAA Cc1cc(C(=O)N(CC(C)C)c2ccc(Cl)cc2)cc(=O)n1C 1875314302 QVCUGJNZHBGGIR-UHFFFAOYSA-N 332.831 3.650 0 50 EHAA O=C(O)c1ccc([C@H]2CCCN2Cc2ccc(-c3cc[nH]n3)o2)s1 2325790304 CSTSLCJZZWMHBZ-CYBMUJFWSA-N 343.408 3.767 0 50 EHAA Cc1c(-c2cnc(CN3CCC(N)CC3)cn2)sc2ccccc12 2325807656 KODDOSHCYIGLRS-UHFFFAOYSA-N 338.480 3.590 0 50 EHAA Cc1cccc2c1O[C@H](C(=O)OCc1cncc(C(C)(C)C)c1)C2 2325855156 KFJLMXSMLZBZQN-KRWDZBQOSA-N 325.408 3.734 0 50 EHAA Fc1cncc([C@@H]2CCN(c3cnc4cc(Cl)ccc4n3)C2)c1 2325855256 OZDRTMIWXUYJTL-LLVKDONJSA-N 328.778 3.811 0 50 EHAA CC1(c2ccc(NC(=O)Nc3cn(-c4ccccc4)nn3)cc2)CC1 2332239376 MVIVBNKWVPMMCY-UHFFFAOYSA-N 333.395 3.963 0 50 EHAA CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)CCc1ccccc1 48489 NVSYXRSZSSDCGI-MRXNPFEDSA-N 342.361 3.505 0 50 EHAA COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(F)cc1 191519 FQPFPFUBBUBDOH-UYAOXDASSA-N 338.382 3.704 0 50 EHAA Cc1ccccc1C(=O)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F 274629 FZMCVHAGTHYPBR-BBRMVZONSA-N 340.345 3.638 0 50 EHAA CC(=O)Oc1cccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 313496 SBHQCVVFIQJANM-UHFFFAOYSA-N 340.162 3.877 0 50 EHAA COc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccccc2)cc1Cl 362500 HIJKKJYPKXROAC-LLVKDONJSA-N 335.787 3.763 0 50 EHAA Cc1cc(OCC(=O)Nc2ccccc2C(=O)O)cc(C)c1Cl 367813 FUHMUDGIYDWPFO-UHFFFAOYSA-N 333.771 3.673 0 50 EHAA CCn1c(SCc2cc(C)ccc2C)nnc1-c1cnccn1 532989 ANIIEOPWROBPMM-UHFFFAOYSA-N 325.441 3.664 0 50 EHAA CCOc1ccccc1NC(=S)Nc1ccc(OC)c(OC)c1 611985 LGQONKKNJYJDQB-UHFFFAOYSA-N 332.425 3.911 0 50 EHAA O=S(=O)(c1cccc(-c2nc3ccccc3s2)c1)N1CCCC1 612813 JAWUUBUGWLDGKY-UHFFFAOYSA-N 344.461 3.748 0 50 EHAA O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NC1CCCC1 2777008 JBXGAAXQNYIERA-UHFFFAOYSA-N 349.784 3.882 0 50 EHAA O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)c1ccc(Cl)cc1 2797756 LOQNOQDRTAGPQV-UHFFFAOYSA-N 347.205 3.886 0 50 EHAA Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1-n1cccc1 4284331 UWZYJXNITNJTJB-UHFFFAOYSA-N 325.368 3.685 0 50 EHAA CCCCc1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1 5015907 OVSRPUWUTOOIMW-GOSISDBHSA-N 337.423 3.791 0 50 EHAA O=C(Nc1nc[nH]n1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6000080 OEJMEHOCZSELBD-UHFFFAOYSA-N 349.781 3.926 0 50 EHAA Cc1cc(Br)ccc1NC(=O)Cn1cnc2ccccc21 9096418 POZOPVGFDIRXFO-UHFFFAOYSA-N 344.212 3.746 0 50 EHAA CC(=O)OC1=CS[C@H]2c3ccccc3C(=O)N2Cc2ccccc21 12351785 SWFSKCLBWLYRRZ-IBGZPJMESA-N 337.400 3.950 0 50 EHAA CC(C)N(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1 12382445 UDZHEAUKAGZWER-UHFFFAOYSA-N 327.409 3.849 0 50 EHAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2ccccn2)C1 13594224 NRHPVURZBQQKGA-HNNXBMFYSA-N 326.465 3.898 0 50 EHAA c1ccc(Cc2noc(-c3ccc(N[C@H]4CCSC4)nc3)n2)cc1 14964530 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EHAA Cc1cnc(CNC(=O)c2sc3cccc(F)c3c2Cl)cn1 91645637 DCWRDDJOWSDBBD-UHFFFAOYSA-N 335.791 3.722 0 50 EHAA O=C1CCC(c2ccccc2)(c2ccccc2)CN1C[C@@H]1CCCO1 91690092 VBEWLFOECFXLMG-FQEVSTJZSA-N 335.447 3.774 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 92107902 NIIHSIPHEDFMAI-ZDUSSCGKSA-N 349.837 3.644 0 50 EHAA CCc1nccn1CCNC(=O)Nc1ccc2c(c1)cc(C)n2CC 96131645 KMMWBWMDVKCLJL-UHFFFAOYSA-N 339.443 3.550 0 50 EHAA CCOc1ccc(N2C(=O)C[C@H](Cc3cc(C)cc(C)c3)C2=O)cc1 100548044 KCBSMZWAMPHSID-KRWDZBQOSA-N 337.419 3.824 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NCc1ccc(Cl)cc1)[C@H]2C(=O)O 101405471 USUOWUCBPCDFAH-SRABZTEZSA-N 347.842 3.649 0 50 EHAA Cc1nccc(N2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 106955693 UWUVCPAUYBHERO-LJQANCHMSA-N 342.462 3.661 0 50 EHAA c1cc(CN2CCCCC2)cc(-c2noc([C@@H]3C[C@H]4CC[C@H]3O4)n2)c1 110593063 RCFGNZPVCJDRMX-KZNAEPCWSA-N 339.439 3.757 0 50 EHAA O=C(Nc1ccccc1C(F)(F)F)N1CC[C@@H]2OCCC[C@@H]2C1 130355647 OOLSGSPJJRFWDG-RISCZKNCSA-N 328.334 3.738 0 50 EHAA COC(=O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1ccco1 136719030 WKQTWNVLHDQTOB-UHFFFAOYSA-N 336.269 3.938 0 50 EHAA Cc1cccc(-c2ccc(CNC(=O)[C@H]3CCn4ccnc4C3)cc2)c1 161762402 JVKPWOMJGDAUCL-FQEVSTJZSA-N 345.446 3.737 0 50 EHAA COCc1noc(CN2CCCCC[C@@H]2/C=C/c2cccs2)n1 181959182 YRKOYEQLMBSWOG-MYSGNRETSA-N 333.457 3.736 0 50 EHAA Cc1ccccc1-c1ncc(CN2CCC3(CC2)COC(=O)O3)s1 215168269 PIYRZUWCKMNINR-UHFFFAOYSA-N 344.436 3.620 0 50 EHAA CC[C@H](NC(=O)C(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1 239359561 AESBBTDYKQTRKS-RBUKOAKNSA-N 336.435 3.521 0 50 EHAA COc1ccccc1[C@H]1C[C@H]1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 242389610 ZYTUZJMSYCDFLF-WYECTOGVSA-N 325.452 3.836 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 245226726 JQGWOWURTIHLPQ-HQZQWKOLSA-N 341.410 3.911 0 50 EHAA Cc1ccc(C)n1CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 253414259 WXPVNCODZHXXGD-SFHVURJKSA-N 336.439 3.735 0 50 EHAA CN(C(=O)Nc1cn(C)nc1C(F)(F)F)[C@H]1CCc2ccccc21 331687294 VUKHAWMMIZPUNY-ZDUSSCGKSA-N 338.333 3.590 0 50 EHAA O=C(c1ccnc(O)c1)N1CCC[C@@]2(CCCCc3ccccc32)C1 370496330 NNCMSSXIIWFYAG-NRFANRHFSA-N 336.435 3.688 0 50 EHAA OC[C@H]1CN(c2ncccc2C(F)(F)F)CC[C@H]1c1ccccc1 376263270 WSILGHGFNFJRDY-CABCVRRESA-N 336.357 3.703 0 50 EHAA Cc1cc(C)n(CCC(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)n1 409414792 OIYPLIOKRHUTBD-SFHVURJKSA-N 336.439 3.565 0 50 EHAA CC(C)c1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@@]2(F)c2ccccc2)no1 412142786 BZGUSZQTMVSBTN-ZRGWGRIASA-N 343.402 3.741 0 50 EHAA CCn1cc(CN(CC(C)C)C(=O)NCc2ccc(C)cc2)cn1 426548464 GSYZJQXXHBFDKG-UHFFFAOYSA-N 328.460 3.579 0 50 EHAA COCC1(CNC(=O)c2cccc(-c3ccc(OC)cc3)c2)CCC1 824347347 XBEXDKVKYMODTN-UHFFFAOYSA-N 339.435 3.909 0 50 EHAA COc1cccc([C@H]2CCN(c3ccc(C(C)C)nn3)C2)c1OC 824521380 RXNXNAWOSQVGPG-AWEZNQCLSA-N 327.428 3.611 0 50 EHAA Cc1ccccc1-n1cc(CN2CCC(Oc3ccncc3)CC2)cn1 825235315 VQMLNNRXBMSMSE-UHFFFAOYSA-N 348.450 3.619 0 50 EHAA CC(C)c1ccc(CNC(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1 1468230114 LGCZIRHYSBAYJR-SCLBCKFNSA-N 340.414 3.764 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CCCc3ccccc3)C[C@H]2C1 1529111338 VOLWKZHAVXLQBT-FGYAAKKASA-N 328.500 3.587 0 50 EHAA CC[C@H](CNc1noc(-c2ccccc2)c1C(=O)O)N1CCCCC1 1704312369 QHBYFFURCWWWRZ-OAHLLOKOSA-N 343.427 3.716 0 50 EHAA O=C(CC1CCCC1)N1[C@H]2CC[C@@H]1[C@@](CO)(Cc1ccccc1)C2 1857676673 KWUPQBXUFFYKIP-ZVDOUQERSA-N 327.468 3.551 0 50 EHAA COCCN1CC[C@H](CN(C)c2nc3cc(C(C)(C)C)ccc3o2)C1 1857681439 FENMERRYASBLJT-OAHLLOKOSA-N 345.487 3.530 0 50 EHAA O=C(O)Cc1ccc(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)cc1 1875268950 XTOJOVGDRMTGAE-OAHLLOKOSA-N 343.345 3.555 0 50 EHAA O=C1CCCN1Cc1ccc(-c2nnc(C3CCCCC3)o2)cc1 2325722922 UVFKHFYYEUEYFR-UHFFFAOYSA-N 325.412 3.907 0 50 EHAA Clc1ccc2nc(CSc3nc4cncnc4s3)cn2c1 2325824259 WFSKKBAOOHUWHR-UHFFFAOYSA-N 333.829 3.680 0 50 EHAA C[C@H]1C[C@@H](C)C[C@H](NC(=O)NCc2n[nH]c3ccc(Cl)cc23)C1 2325843050 RPDPYFCELHOEGO-PJXYFTJBSA-N 334.851 3.840 0 50 EHAA Brc1ccc(C2CN(Cc3cccc4nonc34)C2)cc1 2325856434 POMBCEQVNXLEKU-UHFFFAOYSA-N 344.212 3.585 0 50 EHAA O=C(O)[C@@H]1Cc2ccccc2N(C(=O)CCC23CCC(CC2)C3)C1 2325874481 NYAZJCBPOSDIMB-CZDRUDQFSA-N 327.424 3.637 0 50 EHAA CCc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2C)C1=O 121797 PNKSKSVKSDRVDM-UHFFFAOYSA-N 340.810 3.993 0 50 EHAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 195249 DBUKZJAFSPINOZ-ZDUSSCGKSA-N 343.210 3.527 0 50 EHAA Cc1ccc(C)c(N2CCN(C(=S)Nc3ccccc3)CC2)c1 282202 YUPFXZHZLPRJIF-UHFFFAOYSA-N 325.481 3.822 0 50 EHAA COc1ccccc1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 462155 HBBLAXQDNKZPBF-UHFFFAOYSA-N 333.815 3.822 0 50 EHAA COc1ccc(N[C@@H](c2ccc(O)cc2)P(=O)(OC)OC)cc1 2495534 LJSXMXVXPSEHGB-MRXNPFEDSA-N 337.312 3.997 0 50 EHAA O=C(O)C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccco1 2882802 JKXCYTYNXQEUPJ-QGZVFWFLSA-N 349.386 3.744 0 50 EHAA Cc1cc(OCC(=O)Nc2nccs2)cc(C)c1Br 3000649 HFHCFVOSTTYNFM-UHFFFAOYSA-N 341.230 3.540 0 50 EHAA COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1OC 4740796 QETHSVXWASTESG-UHFFFAOYSA-N 329.396 3.845 0 50 EHAA O=C(NC1CCCCC1)C1CCC(C(=O)NC2CCCCC2)CC1 6700671 NZEOICMEPDOJKB-UHFFFAOYSA-N 334.504 3.691 0 50 EHAA O=C(NCCC1=CCCCC1)c1ccc(-n2cnnc2)cc1Cl 6701235 OXFRLGGENPUPQF-UHFFFAOYSA-N 330.819 3.541 0 50 EHAA COc1ccc(Cl)cc1-c1nc(-c2ccc3c(c2)OCO3)no1 6703980 OTLYRCMLRWKWBT-UHFFFAOYSA-N 330.727 3.794 0 50 EHAA O=c1cc(-c2ccccc2)nc(Nc2cccc(Br)c2)[nH]1 8844076 UBAKSTRSUQGSHV-UHFFFAOYSA-N 342.196 3.943 0 50 EHAA Cc1ccc(Oc2ncccc2CNC2CCOCC2)c(F)c1F 12460151 QSAVKVAJXZJKOQ-UHFFFAOYSA-N 334.366 3.729 0 50 EHAA CCOc1c(Cl)cc(CN[C@H](C)[C@@H](O)c2ccccc2)cc1OC 19871843 XSOXWLLLSNOJGJ-FZKQIMNGSA-N 349.858 3.959 0 50 EHAA CCC(CC)n1nc(C)cc1NC(=O)c1c(C)cc(C)n(CC)c1=O 55089456 WLFPJZJYOIDOLJ-UHFFFAOYSA-N 344.459 3.603 0 50 EHAA COc1ccc([C@H](C)NC(=O)c2ccc(NC(C)=O)c(C)c2)cc1F 67432584 OIRJAFALOXAJCW-LBPRGKRZSA-N 344.386 3.592 0 50 EHAA C[C@H](c1cc2ccccc2[nH]1)N(C)CCC(=O)Nc1nccs1 67821488 MZRHBFDHISHQQW-GFCCVEGCSA-N 328.441 3.646 0 50 EHAA c1cncc(CO[C@@H]2CCCN(c3nccc(C4CCCC4)n3)C2)c1 71661363 JTYPXRJAACFMTA-GOSISDBHSA-N 338.455 3.715 0 50 EHAA CCn1c(-c2nccn2[C@@H](C)Cn2nc(C)cc2C)nc2ccccc21 71749751 NYAJFLORHIAJIX-INIZCTEOSA-N 348.454 3.994 0 50 EHAA COc1nc2c(cc1CN[C@@H](C)CC(C)C)C(=O)N(C1CCCC1)C2 71774462 ZZKCLXSNLOLMPJ-AWEZNQCLSA-N 345.487 3.513 0 50 EHAA CSc1ccc(CN2CCC[C@H](OCc3cccnc3)C2)cc1 72162690 UIQWCJLSCFPRKU-SFHVURJKSA-N 328.481 3.985 0 50 EHAA Cc1cccnc1CN1CCN(Cc2c(Cl)ccc(C)c2F)CC1 72166668 TVEMADLCBHSOEH-UHFFFAOYSA-N 347.865 3.809 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)ccc1F 82109246 DKGBNTXZVDXYJX-KRWDZBQOSA-N 341.430 3.760 0 50 EHAA CCCc1cc(C(=O)N2CCCC[C@@H]2CCn2cccn2)cs1 91690357 IXDQATWLGLJWJD-MRXNPFEDSA-N 331.485 3.982 0 50 EHAA O=c1c(C(F)(F)F)cccn1Cc1cncn1C1CCCCC1 95369087 OBQALPXQGVEGQN-UHFFFAOYSA-N 325.334 3.617 0 50 EHAA O=C([C@H]1CCOC1)N1CCCC(c2ccccc2)(c2ccccc2)C1 95499058 CEHROPICVRGJLA-SFHVURJKSA-N 335.447 3.632 0 50 EHAA CCCCn1ccnc1C1CCN(C(=O)CCC(F)(F)F)CC1 95503258 PQKLLUCPQVPBDD-UHFFFAOYSA-N 331.382 3.732 0 50 EHAA FC(F)(F)c1cccc(-n2nc(C3CC3)nc2C[C@H]2CCOC2)c1 96150249 QPPSTZDUZQGTPQ-LLVKDONJSA-N 337.345 3.743 0 50 EHAA CC(=O)c1cc(C(=O)N(Cc2ccncc2)Cc2ccco2)cs1 97797714 CBLGTIKNUONPTD-UHFFFAOYSA-N 340.404 3.781 0 50 EHAA CCc1nc(C)c([C@@H](C)N(C)C(=O)Cc2noc3ccccc23)s1 120054154 LVQNVZKHDMZFFY-GFCCVEGCSA-N 343.452 3.917 0 50 EHAA O=C(c1[nH]nc2c1CCCC2)N1CCC[C@@H]1c1cccc(Cl)c1 127937318 UGVWHEHANHBWPM-MRXNPFEDSA-N 329.831 3.919 0 50 EHAA CCC1(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)CCCC1 157025656 KTDVZCTWFYZSRO-UHFFFAOYSA-N 329.419 3.906 0 50 EHAA CN(C(=O)c1cc(S(C)(=O)=O)cs1)c1cccc2ccccc12 162404287 CYRDSPAQOHSBQX-UHFFFAOYSA-N 345.445 3.581 0 50 EHAA COCCN(CC(F)(F)F)C(=O)[C@@H](C)c1cc2ccccc2o1 176263402 LMCOOMSULNXRAH-NSHDSACASA-N 329.318 3.574 0 50 EHAA CC(C)c1nc([C@H]2CCCN2C(=O)N[C@@H](C)c2cccc(O)c2)no1 177516421 QECUOCMQMMCEJS-SWLSCSKDSA-N 344.415 3.506 0 50 EHAA CN(C(=O)CCc1cc(Cl)cs1)c1nc2ccccc2n1C 183705057 JWCITRCFAXFGKF-UHFFFAOYSA-N 333.844 3.884 0 50 EHAA O=C(c1cccnc1C(F)(F)F)N1CCS[C@H]2CCCC[C@H]21 188970359 IHFYDPLVBMYDOE-NEPJUHHUSA-N 330.375 3.601 0 50 EHAA COc1cccc2c1CC[C@H](NCc1ccn(C3CCCC3)n1)C2 192445886 UHDXMPLCSFLLGK-INIZCTEOSA-N 325.456 3.654 0 50 EHAA c1ccc(COc2ccc(CN3CCC[C@@H](c4ncn[nH]4)C3)cc2)cc1 215546912 ZFMPYIRTMIRBFL-LJQANCHMSA-N 348.450 3.763 0 50 EHAA COc1ccc([C@H](C)N(C)C(=O)c2sc(C)cc2OC)c(OC)c1 215806700 ARWAFAKXSMOMGJ-LBPRGKRZSA-N 349.452 3.916 0 50 EHAA CCCn1ccnc1CN1CCC[C@H]1c1ccc(CN(C)C)cc1 216202960 MRIJCZBOSRZRLJ-IBGZPJMESA-N 326.488 3.692 0 50 EHAA CCO[C@H](C)c1noc(COc2ccnc(-c3cccc(F)c3)c2)n1 225824337 XTJJVMVVNUNDOY-GFCCVEGCSA-N 343.358 3.947 0 50 EHAA COc1ccc(-c2cc(C(=O)N3CC[C@@H](N)C[C@@H]3C)sc2C)cc1 237405111 MMKCNJJZBXDGAV-SWLSCSKDSA-N 344.480 3.684 0 50 EHAA CC(C)n1ccc(CN2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@H]32)n1 239352118 ABCNLPOWSXEZBN-NXHRZFHOSA-N 347.503 3.939 0 50 EHAA CCC(CC)n1nc(C)cc1C(=O)N[C@H]1COc2ccc(C)cc21 252537566 LOQGZEFPLGYEQH-INIZCTEOSA-N 327.428 3.725 0 50 EHAA CCc1nc(C)cc(NC[C@@H](c2ccc(OC)cc2)N2CCCC2)n1 253419515 ZNXHHSLFCKEMEM-SFHVURJKSA-N 340.471 3.605 0 50 EHAA CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253501597 MDCCMZGGNCMFPQ-KNPSMPPGSA-N 346.511 3.876 0 50 EHAA biogenic O=C(c1cccs1)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 280245108 YEWGGPBIMZTDOF-MFKMUULPSA-N 341.354 3.715 0 50 EHAA C[C@@H]1COc2ccccc2CN1C(=O)CCc1ncc(C(C)(C)C)o1 282302319 MBSSCDGHWFETPH-CQSZACIVSA-N 342.439 3.714 0 50 EHAA Cc1cc2nc(CCC(=O)NCCCOC3CCCC3)[nH]c2cc1C 299759049 GZHUOMINLQWLKA-UHFFFAOYSA-N 343.471 3.578 0 50 EHAA CC(C)c1nc(CCNC(=O)Nc2ccc3c(c2)C[C@@H](C)O3)cs1 299760226 DOLLTAKKBPVLOO-GFCCVEGCSA-N 345.468 3.954 0 50 EHAA CN(C(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C)[C@H]1COC[C@@H]1O 299796463 NLDUVOULPIDDRL-IRXDYDNUSA-N 348.487 3.505 0 50 EHAA Fc1ccc2nc(CN3CC4(CCOCC4)[C@H]3C3CC3)sc2c1 354412724 QKJLPZDYEWCXAW-QGZVFWFLSA-N 332.444 3.826 0 50 EHAA CC1(C)[C@H](c2ccccc2)CCN1c1ccc2nnc(C(F)F)n2n1 420643798 QXFVFAHHDGTGBH-ZDUSSCGKSA-N 343.381 3.834 0 50 EHAA Cc1cnc([C@H](C)NC(=O)NCc2cccc(OC3CC3)c2F)s1 660810222 XJCHCYJORMATHQ-NSHDSACASA-N 349.431 3.692 0 50 EHAA CN1CCCCC[C@H]1c1nc(-c2ccco2)nn1CC(F)(F)F 670469515 STDPUAODFJPPIT-NSHDSACASA-N 328.338 3.647 0 50 EHAA O=C(NCc1nnc(C2CC2)s1)c1ccnc2cc(Cl)ccc12 822815759 MEGLDHZCFYIPFR-UHFFFAOYSA-N 344.827 3.547 0 50 EHAA O=C(OC[C@H]1CC12CCOCC2)c1cccc(Oc2ccccn2)c1 870237637 SBIBOLMIRNKZGD-MRXNPFEDSA-N 339.391 3.847 0 50 EHAA COc1ccc(NC(C)(C)C(=O)NCCc2sccc2C)cc1 952966733 GBSZRTLRIMXLSV-UHFFFAOYSA-N 332.469 3.615 0 50 EHAA CC(C)(CNC(=O)N[C@H]1C[C@H](c2ccccc2F)C1)C1=CCOCC1 1340106353 SEEZOIZYHKJICC-KOMQPUFPSA-N 346.446 3.744 0 50 EHAA Cc1nc2cc(C(=O)N(C)CCc3scnc3C)ccc2s1 1506397867 ZLAMBOAVVMUGLL-UHFFFAOYSA-N 331.466 3.684 0 50 EHAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)CCc1ccc(F)c(F)c1)C2 1704299640 SIKNCLAXJCGXFP-MJGOQNOKSA-N 337.410 3.705 0 50 EHAA c1coc(-c2ncc(-c3nccn3-c3ccc4c(c3)COC4)cn2)c1 1772815700 TXPMUADYJYUTNE-UHFFFAOYSA-N 330.347 3.620 0 50 EHAA Cc1csc(-c2cnc(C=Cc3ccnn3CC(C)C)nc2O)n1 1857529561 LLXBKFNHUYEMIG-UHFFFAOYSA-N 341.440 3.637 0 50 EHAA CCn1cccc1C(=O)N[C@@H]1CCCCN(CC2CC3(CCC3)C2)C1 1875406595 HVZAJUXXPBDPLR-GOSISDBHSA-N 343.515 3.673 0 50 EHAA Cc1cnnc(-c2ccc(C(=O)N[C@H](C)c3cccnc3)cc2)c1C 2356153856 XSLXVYHZPLMGFO-OAHLLOKOSA-N 332.407 3.646 0 50 EHAA c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 185439 UMVZIYQNOLOHNI-UHFFFAOYSA-N 338.459 3.596 0 50 EHAA biogenic COc1ccccc1N1CCN([C@@H](C)Cc2ccc(F)cc2)CC1 214060 RBMRYLVZIIYZOZ-INIZCTEOSA-N 328.431 3.588 0 50 EHAA O=C(CN1C(=O)c2cccc3cccc1c23)NCCC1=CCCCC1 382671 XHGZAAOBNDWELV-UHFFFAOYSA-N 334.419 3.807 0 50 EHAA Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)ccc1Br 402026 GBXVFMOXCSZQBR-NWDGAFQWSA-N 340.217 3.587 0 50 EHAA CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1 525160 SCRVMDVFYJBYSR-UHFFFAOYSA-N 336.424 3.529 0 50 EHAA C[C@@H](OC(=O)CCCC(=O)Nc1ccccc1)C(=O)c1ccccc1 2814012 QDQIRIIGHPILRK-OAHLLOKOSA-N 339.391 3.610 0 50 EHAA Cc1c(Cc2ccccc2)sc(NC(=O)C(C)(C)C)c1C(N)=O 2884972 CERAMFLZAAUZAB-UHFFFAOYSA-N 330.453 3.731 0 50 EHAA Cc1n(CC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2ccccc2[n+]1C 3878717 NWAPEPJZJARYHX-XAUMDUMWSA-N 343.491 3.778 0 50 EHAA Nc1nc2ccccc2n1CCCOc1ccc(Br)cc1 4741777 AWLKMCHZCZQCKC-UHFFFAOYSA-N 346.228 3.850 0 50 EHAA COc1cccc(CNC[C@@H]2CCCO2)c1OCc1ccc(F)cc1 5019155 PXDAJQVGPZMSMR-SFHVURJKSA-N 345.414 3.682 0 50 EHAA CCCSc1ccccc1C(=O)N1CCC[C@H](C(=O)OCC)C1 6703079 DAHZEDGMYHOSHF-AWEZNQCLSA-N 335.469 3.604 0 50 EHAA CC[C@@H](C)c1ccc([C@@H](C)NC(=O)C2CCN(C(C)=O)CC2)cc1 6727064 LYWHNFLXHJJYDC-HUUCEWRRSA-N 330.472 3.636 0 50 EHAA COc1ccccc1-c1cc(=O)n2nc(C)c(-c3ccccc3)c2[nH]1 9483738 JJLBPRLABPNPCD-UHFFFAOYSA-N 331.375 3.674 0 50 EHAA O=C(Nc1nccs1)c1ccc(-n2nncc2-c2ccccc2)cc1 11689898 GUVBEVXLCRMOSQ-UHFFFAOYSA-N 347.403 3.643 0 50 EHAA CCN(CC)C(=O)c1coc(COc2ccc(F)cc2Cl)n1 12051908 QVMLLKKUTDHKEZ-UHFFFAOYSA-N 326.755 3.528 0 50 EHAA COC[C@@H]1CCCCN1Cc1nc(-c2ccc(OC)c(C)c2)oc1C 12458119 ORDKWIFDDVEYBN-KRWDZBQOSA-N 344.455 3.968 0 50 EHAA O=C(Nc1ccc2c(c1)OCCO2)c1cc(Br)cs1 13326962 CTIAYKDLKQMSTE-UHFFFAOYSA-N 340.198 3.534 0 50 EHAA COC[C@H](C)n1ccnc1-c1ccc(-c2nc3ccccc3n2C)o1 71551847 FASGDNBDSIESEX-ZDUSSCGKSA-N 336.395 3.904 0 50 EHAA Cc1ccsc1-c1nccn1[C@H](C)c1nc(-c2ccccn2)no1 71747540 BNASKBVFZBSVEJ-GFCCVEGCSA-N 337.408 3.974 0 50 EHAA COc1cccc(-c2n[nH]cc2C(=O)N2C[C@H]3CC=C(C)C[C@H]3C2)c1 71767547 LBTZSGQUBVKCAS-CVEARBPZSA-N 337.423 3.514 0 50 EHAA CC[C@H]1CCCCN1C(=O)c1cccc(Oc2nccc(C)n2)c1 72437637 BMVNUIKCWHKBQP-INIZCTEOSA-N 325.412 3.982 0 50 EHAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)cc1 72474403 PSWDDYDXHZFCAH-MRXNPFEDSA-N 349.434 3.803 0 50 EHAA COC[C@H](C)C1CCN(Cc2cc(O)c3cc(F)ccc3n2)CC1 91645489 YFECFYIBVXTAQJ-ZDUSSCGKSA-N 332.419 3.574 0 50 EHAA Cc1ccc(OCCN(C)C(=O)c2cc(Cl)ncc2Cl)cc1 121661024 ASQSPKVCXXJFEV-UHFFFAOYSA-N 339.222 3.848 0 50 EHAA Cc1cc(=O)c(C(=O)N(Cc2ccccc2Cl)C2CCCC2)c[nH]1 174627563 ZVENYHOTJHNYJN-UHFFFAOYSA-N 344.842 3.922 0 50 EHAA CCCn1nccc1NC(=O)N1CC[C@H](CSc2ccccc2)C1 174697847 FWRDOSNXYNEUDE-HNNXBMFYSA-N 344.484 3.939 0 50 EHAA CCCc1cnc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)s1 180242203 QVSXJXWLCAYFDU-ZDUSSCGKSA-N 346.452 3.906 0 50 EHAA CN(C)C(=O)CC1CCN(Cc2ncc(-c3ccccc3)s2)CC1 182227615 YGRUCDHPCBZJGE-UHFFFAOYSA-N 343.496 3.500 0 50 EHAA COc1ccc(-c2cc(C(=O)N3CC[C@@H](N)C[C@H]3C)sc2C)cc1 237405175 MMKCNJJZBXDGAV-IUODEOHRSA-N 344.480 3.684 0 50 EHAA C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cccnc1 242087944 WAMVZSFOWDWUST-KNXALSJPSA-N 345.240 3.825 0 50 EHAA Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 247958745 NGIHOXKEIAEPBB-JSFFLRCESA-N 338.373 3.963 0 50 EHAA COC[C@@H]1CCCN(CCC(=O)Nc2c(C)cc(C)cc2Cl)C1 252489432 JRAOOIZSHRESHT-OAHLLOKOSA-N 338.879 3.644 0 50 EHAA COc1ccccc1CCC(=O)N(c1ccccn1)c1nccs1 253433317 VOLCTVMZZXMRFW-UHFFFAOYSA-N 339.420 3.844 0 50 EHAA Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3cc(C4CC4)no3)nc2c1 281618771 JZOJPRFVZYASSW-INIZCTEOSA-N 336.395 3.714 0 50 EHAA CCOC1CC2(CCN(Cc3ccc(OCC(F)F)cc3)C2)C1 289547832 IJUGAZGCXQSSCY-UHFFFAOYSA-N 325.399 3.722 0 50 EHAA O=C(O)C[C@@H]1CCCN(Cc2ccc(F)cc2Br)CC1 299746726 ZJTRMQHDECQRPS-LLVKDONJSA-N 344.224 3.665 0 50 EHAA NC[C@@H]1CCCCN1C(=O)Nc1ccccc1Oc1ccccc1F 299771747 XFAYVRLJCLTQEE-AWEZNQCLSA-N 343.402 3.963 0 50 EHAA CCc1noc(-c2cccc(NC(=O)N3CCC(F)(F)CC3)c2)n1 299779619 RDTIWNUXFTUJEA-UHFFFAOYSA-N 336.342 3.562 0 50 EHAA CS(=O)(=O)c1cccc(Br)c1NCc1cccs1 339969054 MSITZFOFBRSRJP-UHFFFAOYSA-N 346.271 3.526 0 50 EHAA CCC(CC)n1ncc(C(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)c1C 408520848 OUIRUJSTKKMMQM-IEBWSBKVSA-N 341.455 3.501 0 50 EHAA O=C(Nc1nc2cccnc2[nH]1)C1(c2c(Cl)cccc2Cl)CC1 426587093 HMRNJVRVNWGXKI-UHFFFAOYSA-N 347.205 3.935 0 50 EHAA CCOc1ccccc1-c1ccc2c(c1)OC[C@@H](N1CCCC1)[C@@H]2O 426602368 FZLCEYDUJOLJGU-WIYYLYMNSA-N 339.435 3.643 0 50 EHAA CCCN(C[C@H]1CCCO1)C(=O)NCCn1c(C)cc2ccccc21 426734175 WCDFJUPQBJVZCI-GOSISDBHSA-N 343.471 3.550 0 50 EHAA CC(C)(C)C[C@@H](NC(=O)N1CC(c2ccncc2)C1)c1cccnc1 534592850 XNOWFWUIXDLRIV-GOSISDBHSA-N 338.455 3.763 0 50 EHAA CCCC[C@@H](NC(=O)N1CCOc2ccccc2C1)c1cccnc1 534644863 RYNWXNKGLHEKTH-GOSISDBHSA-N 339.439 3.917 0 50 EHAA Cc1cccnc1[C@@H](C1CC1)n1cnc2cc(Cl)ccc2c1=O 584894751 RZNKCVXDQIRLIK-QGZVFWFLSA-N 325.799 3.753 0 50 EHAA O=C(Nc1ccc(F)c(F)c1)[C@@H](Sc1cnn[nH]1)c1ccccc1 827654445 LNGXFDUPPUGWQX-HNNXBMFYSA-N 346.362 3.555 0 50 EHAA CC(C)(c1ccc(NC(=O)NC2CC(C(=O)O)C2)cc1)C(F)(F)F 871656072 SCTLDYSTVFNTNC-UHFFFAOYSA-N 344.333 3.511 0 50 EHAA Cc1csc(Nc2ccc(NC(=O)c3cc(Cl)n(C)n3)cc2)n1 1443448724 LXFMBNQPKRNONC-UHFFFAOYSA-N 347.831 3.834 0 50 EHAA CCC(=O)N1CC(C)(C)[C@@H]1c1nccn1COCC[Si](C)(C)C 1456356528 FFTUNEXPJYVHHK-HNNXBMFYSA-N 337.540 3.515 0 50 EHAA Fc1cccc(C2(Cn3ccnc3-c3cnsc3)CCOCC2)c1 1857682785 SASBWVQNPUXNRG-UHFFFAOYSA-N 343.427 3.894 0 50 EHAA C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccc2c(=O)ccoc2c1 2325701129 DTTWRTVNJXWGMW-NSHDSACASA-N 343.329 3.904 0 50 EHAA C[C@@]1(NCc2coc(-c3ccccc3C(F)(F)F)n2)CCC[C@H]1O 2325798737 VALCAFSTQLOMSR-GDBMZVCRSA-N 340.345 3.754 0 50 EHAA c1csc([C@@H]2CN(Cc3ccn(C4CNC4)c3)Cc3ccccc32)c1 2325860162 ZYABQBYCPITQHI-HXUWFJFHSA-N 349.503 3.842 0 50 EHAA Cc1ccc(OCC(=O)Nc2ccccc2F)c(Br)c1 115742 BDHRXTWADGXJER-UHFFFAOYSA-N 338.176 3.914 0 50 EHAA COc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2)cc1 446223 PAQJHSYBSYCDAE-NSHDSACASA-N 334.213 3.949 0 50 EHAA CCOC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 579129 NOQDCAUYCQNVGD-UHFFFAOYSA-N 338.359 3.857 0 50 EHAA Cc1occc1C(=O)Nc1sc(C)c(-c2ccccc2)c1C(N)=O 1054193 XGQRKTCPSYYSMW-UHFFFAOYSA-N 340.404 3.976 0 50 EHAA COc1cccc(OCCCCOc2cc(C=O)ccc2OC)c1 2985771 XFTROPCXHCRMFL-UHFFFAOYSA-N 330.380 3.754 0 50 EHAA O=C(CCc1ccccc1)Nc1sc2c(c1C(=O)O)CCCC2 4155096 KHACIRHRQWTWII-UHFFFAOYSA-N 329.421 3.896 0 50 EHAA CCC(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)OCCO2 4550538 GEJAFHMDABUOIY-UHFFFAOYSA-N 345.782 3.956 0 50 EHAA CC(C)OCCCNc1ncc2c(n1)C[C@@H](c1cccs1)CC2=O 4741312 DALFSXOGIRDIEK-CYBMUJFWSA-N 345.468 3.678 0 50 EHAA COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl 4832513 GHEJAAXZTTXGRW-UHFFFAOYSA-N 340.162 3.953 0 50 EHAA COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ncccc1C 4970506 YOBQJEJERBPNJT-UHFFFAOYSA-N 334.441 3.631 0 50 EHAA COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccnc1 4973296 ARIJQMHRASUJHD-UHFFFAOYSA-N 346.346 3.546 0 50 EHAA CCCNc1cc(C)nc2c(-c3ccc(OC)c(OC)c3)c(C)nn12 5267069 INBNOJYITXPJJP-UHFFFAOYSA-N 340.427 3.852 0 50 EHAA O=C(N[C@@H](Nc1ccccn1)C(Cl)(Cl)Cl)c1ccccc1 19792351 PZMOFOSHQAISFK-CYBMUJFWSA-N 344.629 3.620 0 50 EHAA CC(C)=CCN1CCN(C/C(Cl)=C/c2ccccc2)C[C@@H]1CCO 19794575 KNIQHPQNZMHPLQ-STIKNRRDSA-N 348.918 3.601 0 50 EHAA COc1cc(NC(=O)N2CCC[C@H]2c2c(C)noc2C)cc(OC)c1 33270566 XDCDWTWJCNMKGQ-INIZCTEOSA-N 345.399 3.678 0 50 EHAA Cc1cc(NCCN(C)C)n2nc(-c3ccc(Cl)cc3)c(C)c2n1 40216984 XDHCDICVFYYNFV-UHFFFAOYSA-N 343.862 3.640 0 50 EHAA Cc1cc2ccccc2n1CCC(=O)N(C)CCC1CCOCC1 55341663 KDTRDLPEPKYWOK-UHFFFAOYSA-N 328.456 3.615 0 50 EHAA Cc1[nH]c2ccccc2c1CC(=O)N[C@H](C)c1cn2ccsc2n1 67675911 CQLBUXPITJFWTC-GFCCVEGCSA-N 338.436 3.605 0 50 EHAA O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](c1cccnc1)CC(O)=N2 71282603 HZYPAHFOAZXFBL-HNNXBMFYSA-N 340.427 3.980 0 50 EHAA Cc1cccc(CN2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)c1 72147486 OPYBJBJFANHNSK-UHFFFAOYSA-N 346.478 3.703 0 50 EHAA O=C(c1cc(C2CC2)n[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1 72474973 BGDBCZACLQHYIX-UHFFFAOYSA-N 345.830 3.624 0 50 EHAA Cc1cc(Cl)cc2c(N3CCC[C@]4(CN(C)C(=O)O4)C3)ccnc12 72479625 SFFTTWTXZCAPND-SFHVURJKSA-N 345.830 3.618 0 50 EHAA CSc1ccccc1CN1CCC2(CC1)CC(=O)N(CC(C)C)C2 91476158 QLPMPXPTMJEBRI-UHFFFAOYSA-N 346.540 3.879 0 50 EHAA Cc1ccccc1-c1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(C)C3)cc1 91493811 NJOHJDPVEMKIBN-YLJYHZDGSA-N 334.463 3.828 0 50 EHAA COC[C@H]1CCC[C@H]1NC(=O)c1c(C)c(C)nc2ccc(C)cc12 95518446 ZSCJEIOKROQNQQ-NVXWUHKLSA-N 326.440 3.705 0 50 EHAA Cc1nccc(C2CCN(C[C@H]3CCOc4ccccc4C3)CC2)n1 95522509 HLRQSTLCLRIVRU-KRWDZBQOSA-N 337.467 3.606 0 50 EHAA C[C@@H](c1cccc(-c2ncccc2C(=O)N2CCCCC2)c1)N(C)C 97784720 SKQATNRMZCFNEU-INIZCTEOSA-N 337.467 3.997 0 50 EHAA CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H](C)c2c(C)noc2C)C12CCCC2 110612912 XYRJGIDFTUWIPD-DAXOMENPSA-N 334.460 3.591 0 50 EHAA CC(C)c1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)no1 123414819 BBNYAOLJZYXZID-KRWDZBQOSA-N 341.455 3.535 0 50 EHAA Cc1nccn1-c1cncc(N[C@@H]2CCSc3ccc(F)cc32)n1 131067486 CUIHMAHYLGQSPG-CQSZACIVSA-N 341.415 3.759 0 50 EHAA O[C@H](C[C@H]1CCCCCN1c1ccc2nccnc2n1)c1ccccc1 133030801 CTWFIECHZLHLNR-IEBWSBKVSA-N 348.450 3.898 0 50 EHAA Cc1ccc(C(=O)NC2(c3cccc(Cl)c3)CCCC2)c(=O)[nH]1 152821313 VFSBYSNHAOYQCZ-UHFFFAOYSA-N 330.815 3.536 0 50 EHAA O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)[C@@H]1CCCOC1 192075260 WAEYWFPLWRAMDF-SNVBAGLBSA-N 347.764 3.891 0 50 EHAA O=C(c1ccncc1C(F)(F)F)N1CCC[C@H](C(F)(F)F)C1 193053036 ORBQXHIWNLZBPS-QMMMGPOBSA-N 326.240 3.515 0 50 EHAA CCNC(=O)c1cccc(C)c1OCc1nc(C)c2ccccc2n1 193584986 QSBZBIOJERSOAL-UHFFFAOYSA-N 335.407 3.575 0 50 EHAA O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1cc2c(Cl)cccc2[nH]1 230209765 ZIAOWARRTKNEFG-UGSOOPFHSA-N 345.874 3.816 0 50 EHAA biogenic CO[C@]1(C)CCCN(C(=O)c2sccc2Br)CC1 242106291 WIMQBPWTYFQQOL-CYBMUJFWSA-N 332.263 3.542 0 50 EHAA CCOc1cccc2[nH]cc(CC(=O)N3CC[C@]4(C)[C@H](C3)C4(F)F)c12 292889511 QHEOXKJLKHNQFG-MAUKXSAKSA-N 348.393 3.613 0 50 EHAA CCOC(C)(C)C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 299776440 BQKPBWYDSPBCTA-GOSISDBHSA-N 332.488 3.535 0 50 EHAA CC(C)c1noc([C@H](N[C@H](C)CCc2ccco2)C2CCOCC2)n1 328622289 IKEZLZRVAKRJIB-RHSMWYFYSA-N 347.459 3.865 0 50 EHAA C[C@@H](O)C[C@@H]1CCCN1C(=O)Nc1nc2c(s1)CCCC2(C)C 331806275 WMVGICKTULLOBO-NEPJUHHUSA-N 337.489 3.524 0 50 EHAA O=C(NCc1ccc(F)cc1F)c1ccc(CN2CCCCC2)cc1 348509151 GRBIBSORECZPLH-UHFFFAOYSA-N 344.405 3.881 0 50 EHAA c1cc(-c2noc(-c3c[nH]nc3-c3ccc4c(c3)OCO4)n2)cs1 351565804 YFRGVJKAIFHJOM-UHFFFAOYSA-N 338.348 3.584 0 50 EHAA CN(CCC(C)(C)C)S(=O)(=O)c1ccccc1Br 399877631 JDFZZTHEEBSDKI-UHFFFAOYSA-N 334.279 3.506 0 50 EHAA CC1(C)CN(c2cc(C(=O)N3CCCC3)ccn2)C[C@@H]1c1ccccc1 426552148 XRYZNFZXKKZBJS-LJQANCHMSA-N 349.478 3.948 0 50 EHAA C[C@H]1CN(C2CCOCC2)CCN1Cc1cccc(Cl)c1Cl 488656353 DRPMKYIEAUZTNQ-ZDUSSCGKSA-N 343.298 3.679 0 50 EHAA CC[C@]1(C)Oc2ccc(NCc3ccc(-n4cncn4)cc3)cc2O1 785547526 FXLRRXZKXBCUKA-LJQANCHMSA-N 336.395 3.777 0 50 EHAA CC(C)c1csc(CNC(=O)c2ccc(CN3CCCCC3)o2)n1 934857665 DQOFNHGNCGCQEU-UHFFFAOYSA-N 347.484 3.775 0 50 EHAA CCc1nc2cc(NC(=O)c3cc(C(F)F)nn3C)ccc2n1CC 952985711 CNGYLHWIXNTUAO-UHFFFAOYSA-N 347.369 3.542 0 50 EHAA Cc1oc(-c2cccs2)nc1-c1nccn1[C@@H]1CCCN(C)C1 1857673492 UKPVNMFMNQQWHF-CYBMUJFWSA-N 328.441 3.842 0 50 EHAA Oc1ncnc2c1CCN(c1nc(-c3ccccc3Cl)cs1)C2 1875361045 OGRFYGSNNYEXPP-UHFFFAOYSA-N 344.827 3.522 0 50 EHAA CC1(C)CCC[C@H](c2cccc(NCc3c[nH]c(=N)[nH]c3=N)c2)C1 2325872534 BVZCZASVOYBTMA-AWEZNQCLSA-N 325.460 3.598 0 50 EHAA O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccs1 114894 NIBRROFSNPOYPM-UHFFFAOYSA-N 345.493 3.865 0 50 EHAA CCOc1ccc(NC(=O)NC(C(F)(F)F)C(F)(F)F)cc1 198122 KJWMJYAYZFLGCZ-UHFFFAOYSA-N 330.228 3.700 0 50 EHAA biogenic O=C(NC1CCCCC1)c1ccc(S(=O)(=O)c2ccccc2)cc1 243052 PHQPQUWMZUXNDT-UHFFFAOYSA-N 343.448 3.582 0 50 EHAA CCOC(=O)c1c(N[C@H](C)c2ccccc2)c2ccccc2[nH]c1=O 271996 FHBWQNTXXMREGJ-CYBMUJFWSA-N 336.391 3.878 0 50 EHAA CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@H]1c1ccccc1 439599 GIXDRMQMUNQFSF-LAUBAEHRSA-N 334.419 3.955 0 50 EHAA COc1ccccc1C(=O)NC(=S)Nc1ccc2ccccc2c1 450637 NXQPBCAYGMYZCH-UHFFFAOYSA-N 336.416 3.975 0 50 EHAA COc1cccc(C(=O)COc2ccc3c(C)c(C)c(=O)oc3c2)c1 488980 QQVPLAJIROHEKM-UHFFFAOYSA-N 338.359 3.680 0 50 EHAA biogenic O=C(CN1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 522038 YGEFODJSZYFODN-CQSZACIVSA-N 345.493 3.583 0 50 EHAA Oc1ccc(Nc2nc(NC[C@@H]3CCCO3)c3ccccc3n2)cc1 572929 FWGCVDCPEJDAJG-HNNXBMFYSA-N 336.395 3.670 0 50 EHAA Cc1cccc(NC(=O)COc2ccc(Br)cc2C=O)c1 616701 QYXMPUNFBPAZLD-UHFFFAOYSA-N 348.196 3.588 0 50 EHAA O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccccc1 1387989 KSMCYJKXLRJDGF-UHFFFAOYSA-N 348.189 3.931 0 50 EHAA Cc1cccc(C)c1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1 1426035 XWBKBHGTUHRBSK-KRWDZBQOSA-N 337.423 3.938 0 50 EHAA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1nncs1 4750233 GCZSEMQVXQRYGS-GFCCVEGCSA-N 325.393 3.611 0 50 EHAA O=C(Cc1ccccc1)Nc1ccc(C(=O)NCc2ccccc2)cc1 4810736 XIMWYMHWOAXQHM-UHFFFAOYSA-N 344.414 3.798 0 50 EHAA Cc1ccnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1 6730819 SESRHZCQNVWXFB-UHFFFAOYSA-N 328.224 3.823 0 50 EHAA COc1ccc(C(=O)[C@H]2CCCN(Cc3cccc(C)n3)C2)c(C)c1 11873265 KNNYDXSOUIECEM-KRWDZBQOSA-N 338.451 3.802 0 50 EHAA CC[C@@H](C)N[C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 14989483 LBAWGNYBAXPYOM-WBVHZDCISA-N 326.488 3.994 0 50 EHAA Fc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)c(F)c1 19537652 DYLMCLFCOUFRHT-QPJJXVBHSA-N 328.406 3.796 0 50 EHAA CC[C@H](C)c1ccc(OCCOCCN2C[C@@H](C)O[C@H](C)C2)cc1 35349224 PCCPRLIMDXBZLG-RCCFBDPRSA-N 335.488 3.705 0 50 EHAA O=C(CCCOc1ccc(Cl)cc1Cl)NCc1ccncc1 37866334 QLESDYABGBOPDF-UHFFFAOYSA-N 339.222 3.864 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)N(Cc1ccco1)[C@@H](C)C(C)C 55254028 GYKWVQHTKBPVJV-HNNXBMFYSA-N 331.460 3.636 0 50 EHAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1CCCC[C@H]1CO 55270498 JNPCYWHLNCVDEI-ZDUSSCGKSA-N 333.815 3.895 0 50 EHAA CC(C)c1cc(C2CCN(C(=O)c3cc(C(C)C)no3)CC2)[nH]n1 67935026 ZJVGKVHPVWGIDO-UHFFFAOYSA-N 330.432 3.664 0 50 EHAA O=C(Cc1ccc(Cl)cc1F)NCc1ccc(-n2ccnc2)cc1 72119359 RHTISFSHWQLVSK-UHFFFAOYSA-N 343.789 3.524 0 50 EHAA CNc1nc(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cs1 72156402 YZDKOUBRGWSCNI-HNNXBMFYSA-N 327.457 3.707 0 50 EHAA O=C(c1ccc2occc2c1)N1CC[C@H](Cc2ccc(CO)cc2)C1 95359701 MRBUKSDKGXZVCQ-QGZVFWFLSA-N 335.403 3.630 0 50 EHAA CC(C)c1noc([C@@H]2CCCCN2C(=O)CCCN2CCCCC2)n1 95371203 HHGKNJRVUAFOAW-INIZCTEOSA-N 348.491 3.513 0 50 EHAA O=C1C[C@H](Cc2ccccc2)CN1Cc1cncn1C1CCCCC1 95506455 IZDBAHGFWDZTJH-SFHVURJKSA-N 337.467 3.980 0 50 EHAA CCCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21 100447910 IQXRVKPAGTURSD-UHFFFAOYSA-N 336.391 3.678 0 50 EHAA COc1cc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)ccc1F 131428079 YFQHPFRWFNQNOD-UHFFFAOYSA-N 344.386 3.990 0 50 EHAA CC(C)(C)OC(=O)Nc1ccccc1C(=O)OC[C@@]1(C)CCCO1 170609489 OKRFTIBIALCCEN-GOSISDBHSA-N 335.400 3.760 0 50 EHAA Cc1ccc(OCCCC(=O)Nc2ccccc2CC(=O)O)cc1C 170675926 DTUCIHZECZNNJO-UHFFFAOYSA-N 341.407 3.728 0 50 EHAA C[C@@H](NC1CCC(O)(c2cccnc2)CC1)c1cccc(F)c1F 186357027 KKTSTQSWOIRPPN-VZDIAYEVSA-N 332.394 3.841 0 50 EHAA O[C@@H](CNCc1ccc(Br)o1)c1ccc(Cl)s1 191241005 DJKQDMWJMBVRTO-QMMMGPOBSA-N 336.638 3.580 0 50 EHAA COC[C@H](NC(=O)Cc1noc2ccccc12)c1ccc(Cl)cc1 193530985 PPCSRBJSFIOGGW-INIZCTEOSA-N 344.798 3.528 0 50 EHAA Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CN(C)C(=O)OC(C)(C)C)C2)cc1 225620115 QIVQEMJYPVCYLP-WBVHZDCISA-N 346.471 3.566 0 50 EHAA C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccsc1 252452607 QWZVPRKFQCPYDC-WFASDCNBSA-N 344.436 3.641 0 50 EHAA Cc1cc(NC(=O)CN(Cc2ccc(C)s2)C2CCCC2)no1 252482332 DDBYBQBTAXVMIF-UHFFFAOYSA-N 333.457 3.736 0 50 EHAA CC(C)[C@H]1OCC[C@H]1C(=O)N(Cc1ccsc1)c1cccnc1 253429020 RUCNXKRHMCJIAX-IAGOWNOFSA-N 330.453 3.737 0 50 EHAA COc1cccc(-c2ccc(NC(=O)NC[C@H]3CCOC3)cc2)c1 299761656 XGYMZYKOIYLGCV-CQSZACIVSA-N 326.396 3.520 0 50 EHAA CN(CC1=Cc2cc(Br)ccc2OC1)Cc1ccoc1 352653612 YBSFIDVASRAUIK-UHFFFAOYSA-N 334.213 3.950 0 50 EHAA COc1ccc(Br)c(CNc2cnc3n[nH]c(C)c3c2)c1 361448149 XBQOKKOEXIKXEF-UHFFFAOYSA-N 347.216 3.650 0 50 EHAA Cc1cc([C@H]2CCCN2C(=O)NCCCc2nc(C)c(C)s2)on1 584903230 VSZHTVFKCPOGQA-CQSZACIVSA-N 348.472 3.536 0 50 EHAA C[C@@H]1c2ccc(F)cc2CCN1C(=O)CCc1ccc(C(=O)O)cc1 678992164 MLPWMQUVMMENHZ-CYBMUJFWSA-N 341.382 3.602 0 50 EHAA Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCC[C@H](C)C2)nn1C 822416744 ALARMLPFDYVRRT-LBPRGKRZSA-N 346.862 3.871 0 50 EHAA CCn1ccc(C(=O)Nc2cccc3c2OC(C)(C)C[C@@H]3O)c1C 885664329 QFAOYKOQQQQMCV-INIZCTEOSA-N 328.412 3.663 0 50 EHAA CC1CCN(c2cccc(NC(=O)c3cc(C(F)F)n(C)n3)c2)CC1 933320230 DKJWKHXOTYGETQ-UHFFFAOYSA-N 348.397 3.846 0 50 EHAA Cn1cc(/C=C/c2cc(C(=O)O)c3ccc(F)cc3n2)c(C(F)F)n1 1324016223 ZKIBQRZPIWMERE-DUXPYHPUSA-N 347.296 3.914 0 50 EHAA Cc1ccc(CC(=O)Nc2nnc(SC(C)C)s2)cc1F 1506398935 IBZJRMHMAQMIPE-UHFFFAOYSA-N 325.434 3.667 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)CCCc3ccc(F)cc3)C[C@H]2C1 1529145692 FJRYVRQSAOGHDM-TZRIAGMCSA-N 346.490 3.726 0 50 EHAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cc2cccc(C)c2o1 1857670973 JOMUUXYFTKLLFL-ZBQZNYHESA-N 327.380 3.599 0 50 EHAA O=C(CSc1ncccn1)Nc1cc(C(F)(F)F)ccc1Cl 40863 MNBCJNDKHUJOJO-UHFFFAOYSA-N 347.749 3.880 0 50 EHAA CCc1nc2ccccc2n1C[C@@H](O)COc1cccc(Cl)c1 243117 QHFSPAIIKVUVEU-CQSZACIVSA-N 330.815 3.692 0 50 EHAA Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)c1C 302580 FMZHHVUOWRQLEH-GOSISDBHSA-N 338.407 3.905 0 50 EHAA O=C(Nc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2ccccc2)C1 322591 QELUVYBHTMZNFT-QGZVFWFLSA-N 330.387 3.831 0 50 EHAA O=C1CS[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)cc1 423904 UNDXDEFMFNFZQI-MRXNPFEDSA-N 333.796 3.847 0 50 EHAA COc1ccccc1Cc1noc(COc2ccc(Cl)cc2)n1 443300 VQQFMXVJNZTAPV-UHFFFAOYSA-N 330.771 3.901 0 50 EHAA Cc1cc(C)cc(NC(=S)N2CCN(c3ccccc3O)CC2)c1 613523 DFEHUMZSEXIAEO-UHFFFAOYSA-N 341.480 3.528 0 50 EHAA O=C1C[C@H](c2ccccc2C(F)(F)F)c2cc3c(cc2N1)OCCO3 1060400 KSKWTIWIKZAVOE-LLVKDONJSA-N 349.308 3.951 0 50 EHAA Cc1ccc(C[C@H](C(=O)Nc2ccc(F)cc2)[C@@H](C)C(=O)O)cc1 2910433 BBRLINWIXHPXMR-DYVFJYSZSA-N 329.371 3.652 0 50 EHAA COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2[nH]1 3510475 NZSCDBRKFIYHOM-NSHDSACASA-N 327.409 3.691 0 50 EHAA C[C@@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1 4263212 OCWKRSVQUNLLTR-BZPMIXESSA-N 332.271 3.711 0 50 EHAA COc1ccc([C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1Cl 4487303 XXETZZOTNNPDDU-LLVKDONJSA-N 347.798 3.840 0 50 EHAA Cc1ccc(CNc2ccc(C(=O)N(C)C[C@@H]3CCCO3)cc2)cc1 55168737 LFOHPFHZHOCTBZ-FQEVSTJZSA-N 338.451 3.858 0 50 EHAA O=C(CCCc1nc2ccccc2s1)N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 247766812 LJGBCGULOVQMOJ-WFTHSTBKSA-N 326.465 3.876 0 50 EHAA CCCc1cnc(C)nc1N1CCN(Cc2cccc3[nH]ccc23)CC1 67834169 NBIBZEXXPSDNCL-UHFFFAOYSA-N 349.482 3.541 0 50 EHAA CCOC1CC2(CCN(Cc3cnc(-c4ccccn4)s3)C2)C1 348880861 WBMDPDYKEOWGFA-UHFFFAOYSA-N 329.469 3.596 0 50 EHAA CCCO[C@@H]1CCCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)C1 67110292 DBAFLEQVJHVEIA-LJQANCHMSA-N 341.455 3.520 0 50 EHAA CN1CCC(N(Cc2ccco2)C(=O)c2coc3ccccc23)CC1 253425473 MHXGGUZMGOGCEL-UHFFFAOYSA-N 338.407 3.762 0 50 EHAA CC(C)Oc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 4488792 SUWZTHGPICCDLN-CQSZACIVSA-N 325.364 3.677 0 50 EHAA CCN(Cc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1 71754812 KKLIDRCUQZCBDU-UHFFFAOYSA-N 328.397 3.852 0 50 EHAA Cc1nc2ccccc2nc1CN1CCC[C@H](OCc2cccnc2)C1 72158457 VCUQGJVJALGQNA-SFHVURJKSA-N 348.450 3.514 0 50 EHAA Cc1ccc(/C=C/CC(=O)N2CC[C@@H](OCc3ccncc3)C2)cc1 364109133 ANPNJJPAQIVXGM-ZOXCZHJPSA-N 336.435 3.611 0 50 EHAA CC(=O)N[C@@H]1CN(Cc2cccc(-c3ccco3)c2)C[C@H]1C(C)C 77319719 WSZFOJCOOSQLPX-RBUKOAKNSA-N 326.440 3.539 0 50 EHAA C[C@@H](NC(=O)C12CCCN1CCC2)c1ccccc1C(F)(F)F 367979152 XBDPPAVSVOPXAJ-GFCCVEGCSA-N 326.362 3.511 0 50 EHAA COc1cccc(SCC(=O)N2CCC[C@H](C(F)(F)F)C2)c1 128831893 HTJLWLKSXIWOCN-NSHDSACASA-N 333.375 3.588 0 50 EHAA Cc1n[nH]c2ncc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)cc12 126530258 NFJANCLXRSJBBS-ZJUUUORDSA-N 326.322 3.574 0 50 EHAA c1ccc2c(c1)CCOC21CCN(Cc2ccc3c[nH]nc3c2)CC1 453576508 QKDVGOXVSQNGFU-UHFFFAOYSA-N 333.435 3.627 0 50 EHAA Cn1nccc1CCC(=O)N[C@H](c1cccs1)C1CCCCC1 215302483 WRTVBVLVDVPLNC-SFHVURJKSA-N 331.485 3.852 0 50 EHAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1O 72117699 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SFDCOHAJCJDOFF-UHFFFAOYSA-N 331.384 3.782 0 50 EHAA CCC(=O)Nc1cccc(C(=O)OCC2(C)Cc3ccccc3C2)c1 1875334983 NSYFZQPGOKMHNK-UHFFFAOYSA-N 337.419 3.997 0 50 EHAA CCn1c([C@H](C)Nc2ncncc2Br)nc2ccccc21 274583668 AVPDVXNVDKVTAV-JTQLQIEISA-N 346.232 3.782 0 50 EHAA COC(=O)c1c[nH]c(SCc2csc(Cc3ccccc3)n2)n1 170617988 WVELIAQDJFKZHK-UHFFFAOYSA-N 345.449 3.536 0 50 EHAA Cc1c([C@@H](C)NC(=O)Nc2cc(Cl)cc(Cl)c2)cnn1C 5041609 IRJZMQAXEDEWDL-MRVPVSSYSA-N 327.215 3.918 0 50 EHAA CCc1nnc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)s1 11907425 XDIIFCMASYFVGR-SNVBAGLBSA-N 344.465 3.768 0 50 EHAA O=C(CC[C@H]1CCCN(Cc2c(F)cccc2Cl)C1)NC1CC1 11999630 BAAWBXBRAJQFTI-CYBMUJFWSA-N 338.854 3.750 0 50 EHAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)c2ccc(C=O)cc2)c1C 12709903 FEIWNWPUBGJMQN-HNNXBMFYSA-N 347.418 3.793 0 50 EHAA O=C(C[C@H](c1ccccc1)c1ccccc1F)N1CCC(CO)CC1 14977690 LNRVYXKETMHXJC-LJQANCHMSA-N 341.426 3.579 0 50 EHAA Cn1ccnc1SCC(=O)n1c2c(c3ccccc31)CCCC2 199011 BHFYXLAZRHJZRN-UHFFFAOYSA-N 325.437 3.686 0 50 EHAA CCCCCCCCCCCC(=O)O[C@@H](C)C(=O)O[C@H](C)C(=O)O 111862923 AOHBGMDQHXJADT-CABCVRRESA-N 344.448 3.855 0 50 EHAA O=C(Nc1c(F)cccc1-n1cccn1)[C@@H]1CCOC2(CCCC2)C1 906608664 PJTYURKDQHTGDE-CQSZACIVSA-N 343.402 3.689 0 50 EHAA COc1cccn2ncc(C(=O)N(Cc3ccco3)C3CCCC3)c12 930482600 XQSJYUXRYIMCST-UHFFFAOYSA-N 339.395 3.521 0 50 EHAA Cc1nccn1-c1ccc(NC(=O)c2ccc(F)c3occc23)cn1 1136256237 SFOREUPBROZKHI-UHFFFAOYSA-N 336.326 3.713 0 50 EHAA CCOC(=O)c1sc(NC(=O)c2cc3ccccc3o2)nc1C 34472 XXADPKJLXKKTIG-UHFFFAOYSA-N 330.365 3.627 0 50 EHAA Cn1ccc(C2CCN(Cc3ccc(-c4ccccc4)cn3)CC2)n1 2325815738 NEMUCSKEALMTNT-UHFFFAOYSA-N 332.451 3.862 0 50 EHAA CC(C)c1ccc(-n2cc(O)c(C(=O)OCc3cncs3)n2)cc1 2325855768 OFBCQSJYOPNDLN-UHFFFAOYSA-N 343.408 3.515 0 50 EHAA COc1cc(C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OC 363005 ACEYLXRHCTVXCJ-UHFFFAOYSA-N 335.787 3.927 0 50 EHAA CSc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)C 1075562 CZBZFLHCGTYBPD-UHFFFAOYSA-N 328.437 3.799 0 50 EHAA CCCCSc1nnc2c(n1)O[C@H](C)N(C(C)=O)c1ccccc1-2 2488876 XOGPJRNZARWTDW-GFCCVEGCSA-N 344.440 3.522 0 50 EHAA CCCOc1ccc(C(=O)Nc2snc(C)c2C(=O)OCC)cc1 6636268 KIHBSXMZNFQKNU-UHFFFAOYSA-N 348.424 3.669 0 50 EHAA O=C(c1cccc(F)c1)N1CC[C@H]2[C@H](CCCN2Cc2ccco2)C1 12149426 CHULGTXUMMQQRV-APWZRJJASA-N 342.414 3.545 0 50 EHAA CSc1ncc(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)cn1 12203591 RVKNQMAFWFDQKT-UHFFFAOYSA-N 340.452 3.535 0 50 EHAA Fc1ccc([C@H](c2ccc(C(F)(F)F)cc2)N2CCNCC2)cc1 22121251 KDUNGCWAFFIALD-KRWDZBQOSA-N 338.348 3.839 0 50 EHAA Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C(C)C)cc2)no1 33086920 ZKYSIQUEVMZEEA-QGZVFWFLSA-N 334.441 3.632 0 50 EHAA CC(C)n1cc(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)cn1 55401387 SPPUJGYDMBFAGR-LJQANCHMSA-N 331.435 3.784 0 50 EHAA OCCCN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 67541395 WHWBAVLAYZBWOE-UHFFFAOYSA-N 348.446 3.595 0 50 EHAA CN(Cc1ccccc1)c1ncccc1CNc1ccc(Cl)nn1 67967727 LPEBIXFJJIRILT-UHFFFAOYSA-N 339.830 3.774 0 50 EHAA OCc1ccc(-c2cc(NC3CCCC3)nc3[nH]ccc23)c(CO)c1 72147307 VCPBRFHSUMHZCB-UHFFFAOYSA-N 337.423 3.569 0 50 EHAA Cc1nc(CC(=O)N(C)Cc2cnc(-c3ccccc3)s2)cs1 72462770 CNGAINZHHOXFSH-UHFFFAOYSA-N 343.477 3.776 0 50 EHAA Fc1cc(Cl)cnc1N1CCCN(Cc2cccs2)CC1 79295678 GNLPIPCCIVXBAY-UHFFFAOYSA-N 325.840 3.648 0 50 EHAA CC(C)Cc1cc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2)n(C)n1 82155810 XGZWSZQRZWSZGT-CQSZACIVSA-N 345.874 3.902 0 50 EHAA CCn1nc(CC(C)C)cc1C(=O)N1CCCC[C@H]1c1cc(C)on1 91350787 QKRBEZVSPBWNCU-KRWDZBQOSA-N 344.459 3.765 0 50 EHAA CN(C)[C@H]1CCN(Cc2cccc(Cl)c2Cl)C[C@H]1CCCO 91475712 CLRMSTQURDMHBQ-CJNGLKHVSA-N 345.314 3.518 0 50 EHAA FC(F)(F)Oc1ccc(CN2CCC3(CCOCC3)CC2)cc1 97594748 DABQLGQCONRDFN-UHFFFAOYSA-N 329.362 3.978 0 50 EHAA CC(C)c1nccc(CN2CCCN(CC3CC3)[C@@H](C(C)C)C2)n1 107022075 OAYHYHWQWLIFOQ-LJQANCHMSA-N 330.520 3.542 0 50 EHAA CCOc1ccc([C@@H]2CCCN2C(=O)c2[nH]nc3c2CCCC3)cc1 119789398 PCQUNUAPTFMLFB-SFHVURJKSA-N 339.439 3.665 0 50 EHAA O=C(NC[C@H]1CCCCO1)c1cc(-c2ccco2)nc2ccccc12 141766429 KBKIYNZETVRVBS-CQSZACIVSA-N 336.391 3.794 0 50 EHAA Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(N2CCCC2)nc1 151038518 XTYPRESWIWBKND-IBGZPJMESA-N 337.467 3.994 0 50 EHAA CS[C@H]1CCCCN(C(=O)Nc2cnn(-c3ccccc3)c2C)C1 157186394 QKEJAQDNEAMOAP-INIZCTEOSA-N 344.484 3.930 0 50 EHAA COc1cc(N[C@@H]2CCCN(Cc3ncc(C)s3)C2)cc(OC)c1 180608012 RJWPDSYVHGCPRZ-CQSZACIVSA-N 347.484 3.545 0 50 EHAA CC[C@H]1Cc2ccccc2CN1C(=O)c1c[nH]c2ccccc2c1=O 183852277 AXABQKQVEMLNOZ-INIZCTEOSA-N 332.403 3.505 0 50 EHAA COC(=O)[C@@H](N[C@H](C)c1cc2ccccc2s1)c1cccnc1 184361088 PSGOLMIKYXLFNE-PXAZEXFGSA-N 326.421 3.861 0 50 EHAA Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CCCO[C@H]1CC(C)C 187510226 LTBPPPGGMHUPMZ-MOPGFXCFSA-N 328.456 3.729 0 50 EHAA C[C@H](N[C@H](C)c1nnnn1C)c1ccc(Oc2ccccc2)c(F)c1 189784331 OXRLJFKKIQXDFX-QWHCGFSZSA-N 341.390 3.553 0 50 EHAA Cc1nc(CN2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)oc1C 225398311 UOXOTXYDTHHZFR-DOMZBBRYSA-N 340.345 3.618 0 50 EHAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]1c1ccc(F)cc1 241383482 MVQCVWQGAPPGDT-XSLAGTTESA-N 325.383 3.610 0 50 EHAA Cc1nn(C(C)C)cc1CN1CCC(O)(c2ccccc2Cl)CC1 242047970 VRQQZELETJEHMT-UHFFFAOYSA-N 347.890 3.909 0 50 EHAA Cc1nc(N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)c2ccccc2n1 243892639 AJUYDWRBRSTDGT-IIYDPXPESA-N 325.437 3.924 0 50 EHAA C[S@](=O)Cc1ccccc1NC(=O)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 248395095 ITQQJLOZBLPQPI-BPOTVZKWSA-N 346.496 3.511 0 50 EHAA Cc1ccc(C)c([C@H]2CN(Cc3ccc(C(=O)O)cc3)[C@H](C)CO2)c1 263579203 UHPPESLWHSPOJA-OXQOHEQNSA-N 339.435 3.964 0 50 EHAA CCc1nn2c(c1C(=O)NCc1ccccc1)N[C@H](c1ccccc1)C2 263619069 WSXQYFLFMXWHHZ-SFHVURJKSA-N 346.434 3.542 0 50 EHAA C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 280067135 XEXMSHAMZURLJV-YQQAZPJKSA-N 341.451 3.945 0 50 EHAA CC1(C)CCC(NC(=O)c2ccnn2C2CCCC2)(C(=N)O)CC1 328801572 AGHZCCHSEDFUAC-UHFFFAOYSA-N 332.448 3.602 0 50 EHAA O=C(c1cccc(O)n1)N(Cc1ccccc1F)C1CCCCC1 339948868 STUIUHTXTITNRX-UHFFFAOYSA-N 328.387 3.901 0 50 EHAA CC1(C)C[C@H](c2noc(-c3ccc(N4CCCC4=O)cc3)n2)CCO1 351187659 MQLHTEPMGOFFCG-CQSZACIVSA-N 341.411 3.536 0 50 EHAA Cc1ncccc1-c1noc([C@@H](C)[C@@H]2OCCc3sccc32)n1 426569922 GHPIBOACEREBSM-BONVTDFDSA-N 327.409 3.919 0 50 EHAA O=C(Cn1ncc2ccccc21)NC[C@@H]1CCCC[C@H]1C(F)(F)F 482205100 DZUSDJGPYAUQNT-GXTWGEPZSA-N 339.361 3.521 0 50 EHAA OC[C@H](N[C@@H]1COC2(CCC2)C1)c1ccc(Cl)cc1C(F)(F)F 657999309 HEPKGFXHRPJADV-FZMZJTMJSA-N 349.780 3.693 0 50 EHAA c1cnc2nccc(N3CCC(c4ncc5n4CCCC5)CC3)c2c1 872524566 HKDALAOLBKGKCP-UHFFFAOYSA-N 333.439 3.547 0 50 EHAA CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C[C@@H]1C[C@]12CCOC2 886280424 DVPNDCJXOMGMCR-IEZWGBDMSA-N 335.875 3.919 0 50 EHAA Cc1cc(CN[C@](C)(C(=O)O)c2ccc(Cl)c(Cl)c2)sn1 901746867 ZVONCHIHCVAJIT-AWEZNQCLSA-N 345.251 3.848 0 50 EHAA COc1nscc1CN(C)Cc1ncc(-c2ccccc2F)o1 952995597 QXTNTYHLJBZCLC-UHFFFAOYSA-N 333.388 3.578 0 50 EHAA Cc1ccc2nc(CCN[C@@H]3CCN(c4ccccc4)C3)[nH]c2c1C 1506430413 AVAJWGOENJEKLF-QGZVFWFLSA-N 334.467 3.591 0 50 EHAA Cc1cc(NCC(=O)N2CCCC2)c2ccc(C(F)(F)F)cc2n1 1704300765 WATCFQYEWLNZRS-UHFFFAOYSA-N 337.345 3.596 0 50 EHAA CCOc1ccc([C@H](C)Nc2ncc(F)c(N(C)C)n2)cc1OCC 1772702332 ROOLAQRTLQOIDB-LBPRGKRZSA-N 348.422 3.652 0 50 EHAA c1cnc2ccc(-c3nccn3[C@H]3CCOC4(CCOCC4)C3)cc2c1 1857686764 GOHNOBBKXRVQHI-SFHVURJKSA-N 349.434 3.999 0 50 EHAA FC1(F)CCOC[C@H]1CSc1n[nH]c(CCC2CCCC2)n1 1875304288 GCFIKEJXMBWSIA-LBPRGKRZSA-N 331.432 3.691 0 50 EHAA COCCOc1ccnc(Nc2ccc3nc(C4CC4)sc3c2)n1 1875319597 JRRRARYQMBDMAY-UHFFFAOYSA-N 342.424 3.733 0 50 EHAA O=C(c1c[nH]c2ncc(-c3ccc4c(c3)NCCOC4)cc12)C1CC1 2325802046 DRFFCVAWUZFCGA-UHFFFAOYSA-N 333.391 3.765 0 50 EHAA COc1cc(/C=C/C(=O)N2CCCCCCC2)cc(OC)c1OC 153 MDGVCMGGLSOVIQ-MDZDMXLPSA-N 333.428 3.518 0 50 EHAA in-man CCN1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 27928 IQMUEHFABBEKGN-UHFFFAOYSA-N 343.858 3.734 0 50 EHAA CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)O)cc12 44640 FKZWOGDCHZTJPO-UHFFFAOYSA-N 340.331 3.740 0 50 EHAA biogenic CC1(C)CC(=O)c2sc(NC(=O)Cc3ccc(F)cc3)nc2C1 204293 QSTLULYIVPXULJ-UHFFFAOYSA-N 332.400 3.619 0 50 EHAA C[C@H]1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 235783 TVTSHWPJYDRBFG-LBPRGKRZSA-N 336.420 3.981 0 50 EHAA COc1cc(C=O)ccc1OCC(=O)Nc1ccccc1C(C)C 467628 NZLAFNPWUCQXOG-UHFFFAOYSA-N 327.380 3.649 0 50 EHAA S=C(NCCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 610225 QQRRAJBWSBUKGW-UHFFFAOYSA-N 334.828 3.598 0 50 EHAA CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 5476481 VDWNGDBIYFGSNB-AWEZNQCLSA-N 341.407 3.987 0 50 EHAA CCCCO[C@@H](NC(=O)c1ccccc1O)C(Cl)(Cl)Cl 5821529 NHTFLYKPEGXOAN-GFCCVEGCSA-N 340.634 3.635 0 50 EHAA in-vitro CCOC(=O)C1CCN(CCCOc2ccc(Cl)c(C)c2)CC1 6729110 JYHJNBQUBRWUQD-UHFFFAOYSA-N 339.863 3.692 0 50 EHAA CCOc1ccccc1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 6741633 XJFBZMPVFUMSQJ-CYBMUJFWSA-N 329.396 3.594 0 50 EHAA CCc1ccccc1NC(=O)COCc1cc(-c2ccco2)on1 6876660 OFXVYFQIURTEOK-UHFFFAOYSA-N 326.352 3.652 0 50 EHAA CO[C@H]1CCCN(C(=O)CC2c3ccccc3CCc3ccccc32)C1 11718015 IOGOXKQEGOKHAV-IBGZPJMESA-N 349.474 3.945 0 50 EHAA CC(C)(C)c1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)no1 12381600 WYUXLTPHPMYQGA-UHFFFAOYSA-N 334.244 3.920 0 50 EHAA CC(C)CC(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1 12382068 MRXBBECLBDTQNQ-UHFFFAOYSA-N 329.271 3.684 0 50 EHAA CCc1ccc(O[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1 12404305 CUOXWAPXQNDIRT-CYBMUJFWSA-N 326.396 3.613 0 50 EHAA O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 19620057 KSQYRIQHSOTFIS-UHFFFAOYSA-N 349.261 3.951 0 50 EHAA COc1cccc([C@@H]2c3cc(OC)c(OC)cc3CNC2(C)C)c1 39347022 KQXZYSHVPPBVCM-LJQANCHMSA-N 327.424 3.726 0 50 EHAA Cc1ccc(CN(C)C(=O)C2CCN(Cc3ccccc3)CC2)cc1 44940570 ZPBNKPPZMQFDQY-UHFFFAOYSA-N 336.479 3.866 0 50 EHAA CCc1cccc(NC(=O)CCC(=O)N(CC)Cc2ccc(C)o2)c1 55199096 ACORTJIMBBUOFH-UHFFFAOYSA-N 342.439 3.918 0 50 EHAA CCCc1cc([C@H]2CCCN2C(=O)NCCc2ccccc2)no1 64984943 YMPKBGDOTVLSAQ-GOSISDBHSA-N 327.428 3.716 0 50 EHAA CCN(CC)Cc1nnc2sc(/C=C/c3cccc(Cl)c3)nn12 65363523 LQBZITHSYONIIK-CMDGGOBGSA-N 347.875 3.851 0 50 EHAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cnc2ccccn12 72458276 BQXKNOYLBGFBBF-UHFFFAOYSA-N 348.431 3.730 0 50 EHAA O=C(c1ccccc1)[C@@H]1CCCN(C(=O)c2cccc(F)c2F)C1 77342983 TZPHFDPDYUHLCO-CQSZACIVSA-N 329.346 3.700 0 50 EHAA Cc1ccccc1SC1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 77356098 XRLOYBQTDLLYPE-UHFFFAOYSA-N 341.480 3.992 0 50 EHAA Cc1cc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)nc2ccccc12 77377854 WFFOHQMZNSNOBB-QFIPXVFZSA-N 349.478 3.915 0 50 EHAA Cc1ccc(OC[C@@H]2CCCN(C(=O)c3ncoc3C3CC3)C2)cc1 77485524 HNJXMJVOHXDBFE-OAHLLOKOSA-N 340.423 3.792 0 50 EHAA CC(C)n1cc(C(=O)N(C)Cc2nc(-c3ccccc3)cs2)cn1 77535016 ZIXJRJZCEBRKON-UHFFFAOYSA-N 340.452 3.860 0 50 EHAA Cc1cc2c(cc1-c1cn([C@H](C)CCc3ccco3)nn1)OCO2 91650687 NQJFDVRBPDKTCH-CYBMUJFWSA-N 325.368 3.769 0 50 EHAA Cc1nc([C@@H](C)N(C)C(=O)c2c[nH]nc2-c2ccccc2)c(C)s1 91873366 NXAIDDUCSKEBQB-LLVKDONJSA-N 340.452 3.983 0 50 EHAA COc1ccc(OC)c([C@H](C)NC(=O)Nc2ccc3c(c2)COC3)c1 92164522 MUYYJSIACOLBQI-LBPRGKRZSA-N 342.395 3.617 0 50 EHAA Cc1nc(CNC(=O)C[C@H](c2ccccc2)c2ccccn2)cs1 95510813 PWFYOTKBMSWFKA-QGZVFWFLSA-N 337.448 3.685 0 50 EHAA CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1cc(F)ccc1F)[C@H]2C(=O)O 101710274 KAEWQPOVWLJIJJ-XYPYXGAPSA-N 335.350 3.597 0 50 EHAA COc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)c1 101863574 GZQKRINTNABBQA-QGZVKYPTSA-N 349.430 3.877 0 50 EHAA COCCOc1ccccc1NC(=O)N1CC[C@H](c2ccccc2)C1 120874426 PKBIPVSSSPVBAO-KRWDZBQOSA-N 340.423 3.733 0 50 EHAA O=C(OCCc1ccccc1C(F)(F)F)c1cccc2cn[nH]c12 170621933 DJOQCQWZEZGLQZ-UHFFFAOYSA-N 334.297 3.981 0 50 EHAA COc1ccc(C)c2c1N(C(=O)CO[C@@H]1CCCC[C@@H]1C)CCC2 170626335 CNCPSMJCAXJCMF-DOTOQJQBSA-N 331.456 3.878 0 50 EHAA CCNC(=O)c1ccc(C)c(NC(=O)c2cc(C)c(OC)c(C)c2)c1 179762022 VAZAUNIIIDVGQN-UHFFFAOYSA-N 340.423 3.622 0 50 EHAA C[C@@H](NCc1ccc(Cl)cn1)c1cccc(N2CCCC2=O)c1 182118239 BRPCRRLPRXLQGC-CYBMUJFWSA-N 329.831 3.713 0 50 EHAA Cc1ncsc1CCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 182855675 MQCFISJGZKJLKW-GFCCVEGCSA-N 344.406 3.546 0 50 EHAA CC(C)[C@@H](NC(=O)C[S@@](=O)c1cccs1)c1ccc(F)cc1 194615824 RWZQIIUCWGJBJK-OPAMFIHVSA-N 339.457 3.508 0 50 EHAA CCN(C[C@H]1CCCCO1)C(=O)c1ccc(N2CCCCC2)cc1 219688332 HFYRUTAUUFPVIR-LJQANCHMSA-N 330.472 3.708 0 50 EHAA Cc1ccccc1[C@@]1(O)CCN(C(=O)c2ccccc2C(F)(F)F)C1 223184954 URUHSTZOURNZQX-GOSISDBHSA-N 349.352 3.748 0 50 EHAA CCCCc1c(C)nc2nc(SC3CC(OCC)C3)nn2c1C 253433032 QYXUKQTYRWOLPB-UHFFFAOYSA-N 334.489 3.743 0 50 EHAA CC(C)(C(=O)Nc1ncc(C2CCNCC2)s1)c1ccccc1 262044548 LVFNXHDWHCKWQR-UHFFFAOYSA-N 329.469 3.526 0 50 EHAA O=C1CCCN1Cc1ccc(CNc2cc(C(F)(F)F)ccn2)cc1 267337261 CSWAQYZUQITWSH-UHFFFAOYSA-N 349.356 3.835 0 50 EHAA O=C(NCCc1cccs1)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 273378627 YNIDYRRLHZYTJI-RDJZCZTQSA-N 348.443 3.649 0 50 EHAA CCn1ccnc1[C@@H]1CCCCN1C(=O)NCc1sccc1C 281373015 COVSOFLDPQHLST-AWEZNQCLSA-N 332.473 3.710 0 50 EHAA O=C(Nc1ncc(C2CCCCC2)s1)[C@@H]1CCn2cncc2C1 371729128 YEHFJKYIYXVYIS-CYBMUJFWSA-N 330.457 3.588 0 50 EHAA Cc1ccc(S(=O)(=O)CC(=O)C(C)(C)c2ccccc2)cc1C 475892994 RRARXWWVWPLUOX-UHFFFAOYSA-N 330.449 3.624 0 50 EHAA COc1cc(C(=O)Nc2cccc3c2OC(C)(C)C[C@H]3O)ccc1F 885654570 RKGQPFSMSOFPTI-OAHLLOKOSA-N 345.370 3.681 0 50 EHAA Cc1cc2nc(O)[nH]c2c(NC(=O)CCc2ccc(F)c(F)c2)c1C 952861731 JOMUNJZSRQZYJH-UHFFFAOYSA-N 345.349 3.735 0 50 EHAA O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(-c2cnc[nH]2)c1 952985975 CGYOHNLTADHSPM-UHFFFAOYSA-N 331.379 3.524 0 50 EHAA COc1ccc2c(NC(=O)[C@@H](C)Sc3ccc(F)cc3)n[nH]c2c1 1139541576 TUNLQQVCCOMDSF-SNVBAGLBSA-N 345.399 3.830 0 50 EHAA Cc1cc(=O)c(C(=O)N(C)[C@H](C)c2ccc3ccccc3c2)cn1C 1506402291 MXUCQAXBOBXGAB-OAHLLOKOSA-N 334.419 3.680 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)c3cc4ccccc4o3)C[C@H]2C1 1529159436 QOXXDVJEKFEWTA-WNKDZCFJSA-N 326.440 3.624 0 50 EHAA O=C(C[C@@H]1CCNC[C@@H]1F)N1CCc2cc(-c3ccccc3)ccc21 1875267310 PJUBBJJJCIKWJJ-HKUYNNGSSA-N 338.426 3.580 0 50 EHAA Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@]2(C(=O)O)CCC[C@H]12 1875268957 NVONUMQNOAWOAT-SCLBCKFNSA-N 348.468 3.579 0 50 EHAA C[S@@](=N)(=O)c1cccc(C(=O)NCc2cc3c(s2)CCCC3)c1 1875279140 QXSSNUYCFRMKBX-HSZRJFAPSA-N 348.493 3.592 0 50 EHAA Cc1nc(CN2CCC[C@@H](NC(=O)C3(C)CCCC3)CC2)cs1 1875302889 LFDOJLXADPVCQE-OAHLLOKOSA-N 335.517 3.503 0 50 EHAA CC(C)c1ccc(C(C)(C)NC(=O)NC[C@H]2COC(C)(C)CO2)cc1 1875353797 GLCKQHBITQOPKV-KRWDZBQOSA-N 348.487 3.538 0 50 EHAA Cc1cc(=NC(CCc2ccccc2)CCc2ccccc2)[nH]c(=N)[nH]1 2325824823 RLAKVPLNEZQBOT-UHFFFAOYSA-N 346.478 3.666 0 50 EHAA Cc1c(-c2ocnc2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 2356148321 QVHXLHQEDGFJMO-UHFFFAOYSA-N 345.402 3.730 0 50 EHAA O=C(N[C@@H]1CCSC1=O)[C@@H](Sc1ccccc1)c1ccccc1 182266 ZWYSXTKPLRQRTI-CVEARBPZSA-N 343.473 3.668 0 50 EHAA Cc1ccn2cc(-c3ccc(I)cc3)nc2c1 281304 PUSZZVCZLDAPQX-UHFFFAOYSA-N 334.160 3.914 0 50 EHAA biogenic C[C@H](Cc1ccccc1)NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 372170 HSEOGIPENOJBJD-CYBMUJFWSA-N 343.814 3.539 0 50 EHAA O=C(O)c1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 397534 VSICLTFAVYHARZ-UHFFFAOYSA-N 331.371 3.904 0 50 EHAA CCOc1ccccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 433681 RQLQIXPSZAQCQN-UHFFFAOYSA-N 344.842 3.701 0 50 EHAA CC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)Cc1ccccc1 441244 JNYPRNRBNAQLFY-UHFFFAOYSA-N 345.402 3.836 0 50 EHAA O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(C(F)(F)F)c1 456325 UZLLONBOMLSZOA-VOTSOKGWSA-N 340.326 3.825 0 50 EHAA C[C@H](NC(=O)C[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 2972468 RJGAAWRYRIRHOU-CABCVRRESA-N 325.408 3.829 0 50 EHAA O=C1Nc2ccccc2/C1=C/NCc1ccccc1Br 3877186 DNZGVDZFLBPUMF-RAXLEYEMSA-N 329.197 3.532 0 50 EHAA COc1ccccc1-c1cc(C(=O)NCc2ccc(Cl)cc2)no1 3908021 UVAIWSFSLQBPLL-UHFFFAOYSA-N 342.782 3.934 0 50 EHAA CC(C)(C)SCCNC(=O)C1CCN(Cc2ccccc2)CC1 9062801 QGGCVUSUOOJOCG-UHFFFAOYSA-N 334.529 3.547 0 50 EHAA CN(C(=O)C1CCCC1)[C@H]1CCCN(CCCc2ccccc2)C1 11951705 KQSYXSBSVLWTNH-FQEVSTJZSA-N 328.500 3.732 0 50 EHAA Cc1ccc(N[C@@H]2CCCN(C(=O)c3scnc3C)C2)cc1C 12299381 DECOTBFFIJZJNP-MRXNPFEDSA-N 329.469 3.785 0 50 EHAA CC(=O)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 12406142 VRODVRNIBGOQFR-IBGZPJMESA-N 339.391 3.699 0 50 EHAA c1ccc(-c2n[nH]c3c2CN(Cc2ccc4c(c2)CCO4)CC3)cc1 15065230 ZBZLSGYJBONCGM-UHFFFAOYSA-N 331.419 3.570 0 50 EHAA Cc1cc(OCCCN2CCN(C)CC2)c(Cl)c(C)c1Cl 20639339 KRFSJOQDPQHUHA-UHFFFAOYSA-N 331.287 3.627 0 50 EHAA COc1ccc(CNc2nc(N3CCCC3)c3ccccc3n2)cc1 41148403 VLVJMRYHWIXRHC-UHFFFAOYSA-N 334.423 3.851 0 50 EHAA CCCc1[nH]nc2c1[C@@H](c1cc(Cl)cc(Cl)c1O)CC(=O)N2 67696141 CXMZPFXZLXVLGL-MRVPVSSYSA-N 340.210 3.849 0 50 EHAA COc1ccc2cc([C@H]3CN(c4ccnc(C)n4)CCO3)ccc2c1 71405786 QXMKURWYCUWTEA-LJQANCHMSA-N 335.407 3.525 0 50 EHAA c1cc(Cn2cccn2)cc(-c2nccn2-c2ccc3cn[nH]c3c2)c1 71759028 BOIAHWPHOGIFKE-UHFFFAOYSA-N 340.390 3.660 0 50 EHAA Cc1oc(-c2ccccc2Cl)nc1CN(C)Cc1nccn1C 72474436 LPIAOBJGTWPWJU-UHFFFAOYSA-N 330.819 3.669 0 50 EHAA CCCn1nccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 82097723 HUUKCNYEWHQMSH-UHFFFAOYSA-N 347.846 3.630 0 50 EHAA Cc1cccc(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)C[C@@H]2C)c1 82109598 VRAKRDKDBPKYMK-AWEZNQCLSA-N 342.826 3.526 0 50 EHAA CC(=O)Nc1ccc(-c2cn(CCc3sccc3C)nn2)cc1 82114441 FMCLORUDVWHDRX-UHFFFAOYSA-N 326.425 3.516 0 50 EHAA CC[C@H]1CCC[C@@H](NC(=O)c2sc(-c3ncccn3)nc2C)C1 128978067 ABXNEDVDEFXJPM-QWHCGFSZSA-N 330.457 3.607 0 50 EHAA CC(C)(C(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1Cl 131181666 BLLOCGXQKRAQDK-OAHLLOKOSA-N 344.842 3.693 0 50 EHAA CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@H](O)c1cccc(Cl)c1 133546098 JJINIPGECQTHHM-SFHVURJKSA-N 341.842 3.896 0 50 EHAA O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnnc1 133550089 GAUCPCGDLGISLF-UHFFFAOYSA-N 335.207 3.767 0 50 EHAA Cc1cc(F)cc(NCc2noc([C@@H]3COc4ccccc4O3)n2)c1 155047140 YFRNLEVCTLWMNK-INIZCTEOSA-N 341.342 3.642 0 50 EHAA CC(=O)c1oc2ccccc2c1NS(=O)(=O)Cc1cccc(F)c1 170609126 IMBBLZNIWKFWJD-UHFFFAOYSA-N 347.367 3.716 0 50 EHAA CN1CCCN(C(=O)CCCc2ccccn2)c2cc(Cl)ccc21 173541159 FHVLQGKCJHUFFR-UHFFFAOYSA-N 343.858 3.931 0 50 EHAA COc1cnccc1[C@@H](C)NC(=O)N1CCCC[C@@H]1c1nccs1 187491159 YIXLFNJYYHFDQW-TZMCWYRMSA-N 346.456 3.545 0 50 EHAA C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c(F)c2)c2cccnc2O1 188069152 PNKHGVKMHLUVRJ-VIFPVBQESA-N 340.276 3.667 0 50 EHAA CCO[C@@H]1C[C@@H](N(C)c2cc(CC)nc(-c3ccccn3)n2)C1(C)C 225383812 KPPXIEKDEVTCOE-IAGOWNOFSA-N 340.471 3.741 0 50 EHAA C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccnc(C(=O)O)c1 237687496 AKGIIJUHQWTYLW-NWDGAFQWSA-N 346.814 3.697 0 50 EHAA Cc1[nH]c2c(C(=O)N3CCC[C@@H](CCC(=O)O)C3)cccc2c1C 237724166 MERUNZJNXFVLAM-AWEZNQCLSA-N 328.412 3.502 0 50 EHAA COc1ccc(OCCCC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 242324393 ZAYZPPPEDHRMAP-YESZJQIVSA-N 331.456 3.939 0 50 EHAA CCOc1ccc(NC(=O)Nc2ccc(-n3cccn3)cc2C)cn1 252481776 CRSFDFWMGKWIBO-UHFFFAOYSA-N 337.383 3.618 0 50 EHAA Cc1cc([C@@H]2CCCN2CCC(=O)Nc2ccc3c(c2)CCC3)on1 252496993 PXFSFCUIIWHBBB-SFHVURJKSA-N 339.439 3.637 0 50 EHAA OC1(c2nc(-c3ccc(COCC(F)(F)F)cc3)no2)CCCC1 275705393 KGTRWWNVLSWLHF-UHFFFAOYSA-N 342.317 3.577 0 50 EHAA COCC[C@H](NCc1nnc(C)o1)c1ccc(Cl)c(Cl)c1 284719760 JNELSMUHBFFTOW-ZDUSSCGKSA-N 330.215 3.552 0 50 EHAA c1ccc(-c2cc3c(N4CCc5[nH]ncc5C4)ncnc3s2)cc1 301114073 SWPSFLGJAWFCAZ-UHFFFAOYSA-N 333.420 3.644 0 50 EHAA C[C@H]1CC(c2noc(CCS(=O)(=O)C3CCCC3)n2)C[C@H](C)C1 328593765 GJELLVINDXKUMH-CHWSQXEVSA-N 340.489 3.509 0 50 EHAA CC[C@]1(C)CN(C(=O)Nc2ccc(Cl)cc2-n2cccn2)CCO1 332064914 RZVPSUFIQWTPIF-QGZVFWFLSA-N 348.834 3.559 0 50 EHAA Cn1cnc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c1 340141475 VZSBNHQGUHLENP-UHFFFAOYSA-N 328.759 3.513 0 50 EHAA Cc1ccc(OC(F)F)c(CNC(=O)c2ccc([C@@H](C)N)cc2)c1 423254963 ADDOHWINDCVJRK-GFCCVEGCSA-N 334.366 3.546 0 50 EHAA COc1cccc([C@H]2CCCN2C(=O)c2onc3c2CCCC3)c1 426370854 VWGYWVOUFUUQMH-QGZVFWFLSA-N 326.396 3.539 0 50 EHAA COc1cccc(Cn2cnc3sc(C)c(C)c3c2=O)c1Cl 657215705 BBWNYOXHCMGDDA-UHFFFAOYSA-N 334.828 3.785 0 50 EHAA CC1(C)[C@@H](CNC(=O)NCc2cccc(-c3cccnc3)c2)C1(F)F 661033155 HOWLESRAMMGDBM-MRXNPFEDSA-N 345.393 3.839 0 50 EHAA Cc1noc([C@@H](C)S(=O)(=O)C2CCC(c3ccccc3)CC2)n1 871635551 GBLNQDBGNGKUIU-UWTIGNOOSA-N 334.441 3.580 0 50 EHAA COc1ccc(CN2CCC[C@H](c3nnc(C)o3)[C@@H]2C)cc1Cl 886077499 BAXMYAXHLWZEKR-FZMZJTMJSA-N 335.835 3.808 0 50 EHAA CCN1CCCC[C@@H]1CNCc1cc2ccc(Cl)cc2nc1O 952971445 OIGVKRGCELWCBC-MRXNPFEDSA-N 333.863 3.558 0 50 EHAA CC[C@@H]1CCCCN1CC(=O)N(C)Cc1cccc(C(F)(F)F)c1 1506420711 JRGSYASGGVOKGP-MRXNPFEDSA-N 342.405 3.928 0 50 EHAA Cc1ccc(O)c(CN2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)n1 1565508832 KHTNRZYOUUMERY-KNQAVFIVSA-N 348.446 3.599 0 50 EHAA C/C(=C\C(=O)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F)C1CC1 1775956849 YSQPAIIPKNHMTI-NNBCDOKZSA-N 339.357 3.696 0 50 EHAA O=C(Nc1ccc(CC(F)(F)F)cc1)N[C@H]1CCOCC12CCC2 2325769481 IIUCSXLVPRPFNZ-AWEZNQCLSA-N 342.361 3.872 0 50 EHAA C[C@H]1CCC[C@@](NC(=O)c2cccc(F)c2C(F)(F)F)(C(=O)O)C1 2325812755 DXZAUMMDUNDISK-VFZGTOFNSA-N 347.308 3.608 0 50 EHAA Cn1cnnc1Sc1ccc(-c2ocnc2Cc2ccccc2)o1 2356138406 AJWUKNNSHBXLGR-UHFFFAOYSA-N 338.392 3.805 0 50 EHAA CC1(C)[C@@H](C(=O)Nc2ccccc2C(=O)O)[C@@H]1C=C(Cl)Cl 41900 BRFXGVVYPHCOTN-JOYOIKCWSA-N 328.195 3.915 0 50 EHAA C[C@@H](CC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1 302881 GBIYVRMLAVPJRR-INIZCTEOSA-N 326.415 3.668 0 50 EHAA Cc1ccccc1N(Cc1c(F)cccc1Cl)S(C)(=O)=O 382768 KNXDHDOUVRPDOZ-UHFFFAOYSA-N 327.808 3.754 0 50 EHAA O=C(NCCc1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 423599 SZYJGIYFYJWBGX-UHFFFAOYSA-N 326.783 3.968 0 50 EHAA O=c1[nH]c2c(s1)[C@H]1c3c(ccc4ccccc34)OC[C@@H]1CS2 2484967 MCQQCBMARNECTO-ZWNOBZJWSA-N 327.430 3.836 0 50 EHAA CCn1ncc(Cl)c1C(=O)Nc1ccc(Br)cc1C 2763184 XIODFITXYUYKFE-UHFFFAOYSA-N 342.624 3.880 0 50 EHAA CN1CCN(c2ccccc2NC(=O)c2ccc3ccccc3c2)CC1 4758679 QQELJIRNRWYISA-UHFFFAOYSA-N 345.446 3.844 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 5186653 AHRWWYGWQKBKBF-XZJWADLISA-N 330.468 3.982 0 50 EHAA biogenic COc1ccc(-n2c(COc3cccc(C)c3)n[nH]c2=S)cc1 5687814 HDOHNPZUXROXCK-UHFFFAOYSA-N 327.409 3.826 0 50 EHAA Cc1cccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c1C 6714615 VPYUYCSCMIJPRF-UHFFFAOYSA-N 327.403 3.797 0 50 EHAA CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(C)C)cc2)n1 11990569 OHRFQGAICCMJEI-UHFFFAOYSA-N 345.468 3.577 0 50 EHAA O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3ccccc3)N3CCC[C@@]123 12197890 BVOAFDUHJVYRTA-FUDKSRODSA-N 346.474 3.667 0 50 EHAA Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)cc1 20604347 XKEKUMIKHCXVKJ-UHFFFAOYSA-N 333.363 3.904 0 50 EHAA OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2ccc(F)cc2F)C1 44919225 XGEXOPMPFOEQNC-ZDUSSCGKSA-N 326.306 3.669 0 50 EHAA Cc1cccc(Cc2nnc(NC(=O)N(C)Cc3ccco3)s2)c1 48159241 GJTHAVDBUDXIGE-UHFFFAOYSA-N 342.424 3.694 0 50 EHAA Cc1nn(C)c(C)c1-c1ccnc(NCc2cccc(Cl)c2)n1 55060831 KGDOMVMQPLQQNS-UHFFFAOYSA-N 327.819 3.759 0 50 EHAA Oc1cccc2ccc(CN(Cc3ccccn3)C[C@H]3CCCO3)nc12 55402633 GUNFECCZEYAEBN-LJQANCHMSA-N 349.434 3.517 0 50 EHAA CC(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 67816933 NUNDTIWBASCJFV-UHFFFAOYSA-N 332.403 3.759 0 50 EHAA O=C(N1CC(c2ccccn2)C1)[C@]1(c2ccccc2)CC12CCCC2 72129503 ARGDRJHISJYBOT-JOCHJYFZSA-N 332.447 3.910 0 50 EHAA COC[C@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ccccn1 72419611 HNTRKSIMNYAJOE-SFHVURJKSA-N 345.406 3.591 0 50 EHAA COc1cccc([C@@H]2CCCN2C(=O)c2scc3c2OCCO3)c1 77487898 SVSJXHDWBJWPET-AWEZNQCLSA-N 345.420 3.505 0 50 EHAA COCC[C@]1(O)CCN(Cc2c(C)sc3ccccc23)C[C@H]1C 91476693 QRXILXVONSTFQI-AUUYWEPGSA-N 333.497 3.819 0 50 EHAA CC[C@@H](C(=O)NCc1csc(-c2cccc(C)c2)n1)n1cccn1 91562966 SMSUMWZRGOPVKJ-INIZCTEOSA-N 340.452 3.583 0 50 EHAA Cc1[nH]nc(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1Cl 97173288 KDVUFJYHVFCJKY-ZDUSSCGKSA-N 343.862 3.703 0 50 EHAA Cc1cc(NC(=O)N(C)CCC[C@H]2CCCO2)n(CCC(C)C)n1 97831195 ZPPYQHRNTXXUBN-INIZCTEOSA-N 336.480 3.661 0 50 EHAA CCCCC[C@@H](C)NC(=O)CNc1cc(Cl)ccc1NC(C)=O 178342876 JEFLDICMBRNELD-GFCCVEGCSA-N 339.867 3.795 0 50 EHAA Fc1ccc2c(c1)CCC[C@H]2Nc1ccc(N2CCOCC2)cn1 182886654 PEIPQIFPSHVLDB-GOSISDBHSA-N 327.403 3.547 0 50 EHAA CC(C)(C)OC(=O)CCC(=O)Nc1ncccc1-c1ccccc1 192350885 QZEHIWHDEUCIGP-UHFFFAOYSA-N 326.396 3.809 0 50 EHAA FC(F)(F)c1cccc(-c2noc([C@@H]3CCn4ccnc4C3)n2)c1 193154152 PVDKDXXPEDHWIF-LLVKDONJSA-N 334.301 3.682 0 50 EHAA C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCC[C@@H](O)C3)c2)C1 229179751 AFHRJTVTGRRWRP-ATZDWAIDSA-N 346.471 3.771 0 50 EHAA c1ccc(Oc2ccnc(N[C@H]3CCO[C@]4(CCSC4)C3)n2)cc1 239667909 BRXYABHUAZXSII-KBXCAEBGSA-N 343.452 3.736 0 50 EHAA CC(C)(C)[C@@H]1CCN(Cc2cccc(OCC(F)(F)F)c2)C[C@H]1O 252510848 CELKOTBIWUOQPF-HZPDHXFCSA-N 345.405 3.857 0 50 EHAA O=C(C1CCC(F)(F)CC1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 253415609 RIHINOHZTGDAQS-IAGOWNOFSA-N 337.410 3.927 0 50 EHAA CN(Cc1cscn1)[C@@H]1CCOc2ccc(Br)cc21 328588652 UGBSYIOLGRSPNK-CYBMUJFWSA-N 339.258 3.861 0 50 EHAA Cc1nc(NCCc2cn3c(n2)SCC3)c2c(C)c(C)sc2n1 329807005 OLVYWIDMSULFMO-UHFFFAOYSA-N 345.497 3.573 0 50 EHAA COCc1nc2n(n1)CCC[C@H]2NC1CCC2(CCCCC2)CC1 329807399 ABTUUMXYSDIUSO-MRXNPFEDSA-N 332.492 3.742 0 50 EHAA Cc1nc2ccc(NC(=O)N3[C@@H](C)[C@H](c4ccccc4)C[C@H]3C)cn2n1 333158526 GVEYNODYDXWSAX-QWQRMKEZSA-N 349.438 3.836 0 50 EHAA OC[C@]1(c2ccccc2)CCCN(c2cc(C(F)(F)F)ccn2)C1 337829804 VJTMJXRTZQXEHR-KRWDZBQOSA-N 336.357 3.631 0 50 EHAA CCN(CCSc1ccccc1)C(=O)NCc1cc(C2CC2)n[nH]1 426428402 UIUCYEWPZPMJJW-UHFFFAOYSA-N 344.484 3.611 0 50 EHAA CC[C@H](NC1CCN(c2cccc(OC)c2)CC1)c1cccnc1 534590688 LSHFPGUAJXJRHS-FQEVSTJZSA-N 325.456 3.800 0 50 EHAA Cc1cc(C)n(CCC(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)n1 747318530 KAWPNXULCKTENC-QGZVFWFLSA-N 348.450 3.829 0 50 EHAA C[C@H]1CN(C(=O)c2ccc(CSc3ccccn3)cc2)C[C@@H](C)O1 825031235 FQISZVUSGWKTOV-GASCZTMLSA-N 342.464 3.623 0 50 EHAA Clc1ccc(-c2nc(Cl)n(Cc3noc(C4CC4)n3)n2)cc1 864235465 YKTFGQCBWKTJTA-UHFFFAOYSA-N 336.182 3.561 0 50 EHAA COc1cccc([C@H]2CCN(Cc3nc(C(=O)O)cs3)C2(C)C)c1 903611348 KRZRVZQGKPAPJS-CQSZACIVSA-N 346.452 3.618 0 50 EHAA COc1cccc([C@H](C)N(C)Cc2cc(C(=O)O)ccc2OC)c1 1529118945 QJUVAAGKCSNISK-ZDUSSCGKSA-N 329.396 3.595 0 50 EHAA CC1=C(CCN2C[C@@H](O)[C@H](Cc3ccccn3)C2)C(C)(C)CCC1 1529145804 NEHWLQGPLVXFRY-YLJYHZDGSA-N 328.500 3.834 0 50 EHAA Cc1nc(Cc2c(Cl)cccc2Cl)nn1[C@H]1CCCC[C@@H]1O 1565527075 ZIOXKCPLZOCSNH-GJZGRUSLSA-N 340.254 3.960 0 50 EHAA CSc1ccc(Cl)c(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1 1772715665 JNQGFFYXGPPHED-LBPRGKRZSA-N 345.848 3.582 0 50 EHAA CCOc1cc(C)c(S(=O)(=O)Oc2cccc(C(C)=O)c2)cc1C 1776004683 ODNJMCSMHGWLOM-UHFFFAOYSA-N 348.420 3.672 0 50 EHAA Cc1cc(C[C@@H](C)n2ccnc2-c2nc3ccccc3nc2C)n[nH]1 1857688261 ZKLPLBXQLCVACX-CYBMUJFWSA-N 332.411 3.637 0 50 EHAA Cc1ccccc1[C@@H](C(C)C)N(C)CN1C(=O)C(=O)c2ccccc21 1875257897 IUBPTDRXJQMODX-LJQANCHMSA-N 336.435 3.811 0 50 EHAA C[C@@H]1CN(C(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)C(C)(C)CO1 1875260674 FFJKYSQQBZZGIS-VXGBXAGGSA-N 329.362 3.835 0 50 EHAA COCC1(c2noc([C@H](C)Oc3ccc(Cl)nc3)n2)CCCC1 1875265735 HYJUHZUZONJDHX-NSHDSACASA-N 337.807 3.716 0 50 EHAA C[C@@H]1CCN(C(=O)[C@H](CN)c2ccccc2Cl)[C@H]1c1ccccc1 1875316590 BMHWBGQQVAOHKN-LSBZLQRGSA-N 342.870 3.992 0 50 EHAA Cc1cc(CNc2cccc(-c3n[nH]c4c3COCC4)c2)cc(C)n1 2325774327 KEWIJNZNFTUGOQ-UHFFFAOYSA-N 334.423 3.773 0 50 EHAA CCOc1cc(CC[C@@H](C)O)ccc1OCc1csc2cncn12 2325801378 FLWBKTCGFYJNHQ-CYBMUJFWSA-N 346.452 3.687 0 50 EHAA Cc1ccoc1-c1nnc(N2CC[C@H](Cc3ccccc3)[C@@H]2C)n1C 2325839893 IIQGTJFMRUSAGH-DOTOQJQBSA-N 336.439 3.841 0 50 EHAA N=c1cc(N2CC[C@H](Oc3ccc(F)c(F)c3)C2)c2ccccc2[nH]1 2325858447 NNVLRAZRURJPON-ZDUSSCGKSA-N 341.361 3.583 0 50 EHAA O=C1c2ccccc2N[C@@]2(C(=O)Nc3ccccc32)N1C1CCCCC1 88726 SPGKWGZJJHKEHU-OAQYLSRUSA-N 347.418 3.692 0 50 EHAA Cc1c(C(=O)O)cc(-c2ccccc2)n1CCNC(=O)OC(C)(C)C 113823 RUFAECVCTWTIRV-UHFFFAOYSA-N 344.411 3.686 0 50 EHAA CCOc1cc(C(=O)Nc2nccs2)cc(OCC)c1OCC 117228 QLFXBYDOOGCSGL-UHFFFAOYSA-N 336.413 3.592 0 50 EHAA O=c1c(-[n+]2ccccc2)cc2[nH]c3ccccc3c2n1-c1ccccc1 318448 JUBAKYUQMLCVDH-UHFFFAOYSA-O 338.390 3.749 0 50 EHAA CCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2)c1 450476 ZSVFRZPEEXESRI-UHFFFAOYSA-N 334.828 3.866 0 50 EHAA O=C(COc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 461121 VBQVQXUJHUUSJI-UHFFFAOYSA-N 327.399 3.686 0 50 EHAA CCN(c1ccccc1)S(=O)(=O)c1ccc(Br)s1 470218 TZGQFPMHFWETNH-UHFFFAOYSA-N 346.271 3.726 0 50 EHAA C[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccccc3)C(=S)N12 486218 IGMQTKVSBWAGJG-YVEFUNNKSA-N 347.443 3.787 0 50 EHAA biogenic CC[C@H](C)NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2781374 ZZFIKQPIUVUFTC-YUMQZZPRSA-N 337.773 3.908 0 50 EHAA Cc1ccc(Cl)cc1-n1nnnc1C1(N2CCCC2)CCCCC1 4007080 MCHTXJYUPODYOH-UHFFFAOYSA-N 345.878 3.879 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(CO)[C@@H]3CC[C@@]12C 4546711 FIHWBGCIKMXLBI-ZPLOVTKXSA-N 330.468 3.696 0 50 EHAA Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 5050278 DIHABPMFIHOJAB-KRWDZBQOSA-N 336.435 3.912 0 50 EHAA CC(C)(C)C(=O)C[C@]1(C(F)(F)F)NN=C(c2ccccc2)S1 5379492 IXYLFVIGFFIRLB-AWEZNQCLSA-N 330.375 3.949 0 50 EHAA Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(C)C3=O 5561111 NMBYFZASVPUALW-MRXNPFEDSA-N 339.778 3.930 0 50 EHAA Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1CO2 5899913 CEXFNPVQRCFYMX-OAHLLOKOSA-N 329.197 3.950 0 50 EHAA CC(=O)c1c(C)nc2nc(SCc3ccccc3C)nn2c1C 6756269 KRRRALTVBRUTEY-UHFFFAOYSA-N 326.425 3.544 0 50 EHAA O=C(COc1ccc(F)cc1)Nc1ccc(Br)cc1F 9236958 AGTNOVYNLFYBGJ-UHFFFAOYSA-N 342.139 3.745 0 50 EHAA CC[C@@H](NC(=O)c1cn(Cc2ccccc2C)nn1)c1ccc(C)cc1 11841975 OOUCTEPOMNFACS-LJQANCHMSA-N 348.450 3.824 0 50 EHAA O=C(c1coc(COc2cccc(F)c2)n1)N1CCCCCCC1 11933512 WOMLIFHHINDKSK-UHFFFAOYSA-N 332.375 3.799 0 50 EHAA O=C(CC1=CCCCC1)N[C@@H]1CCCN(CCc2ccccc2)C1 11956282 FFWHCDRJURXMFX-HXUWFJFHSA-N 326.484 3.700 0 50 EHAA CC1(C)CC(=O)c2cnc(NC(=O)Nc3cccc(Cl)c3)nc2C1 12652495 OUVLHRITBQSTJL-UHFFFAOYSA-N 344.802 3.929 0 50 EHAA O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1N1CCCC1 13148551 ZFNMERSRARMBRA-UHFFFAOYSA-N 335.329 3.953 0 50 EHAA Cc1ncsc1CCNC(=O)c1ccc2oc(C(C)C)nc2c1 14961472 NVNSKJJZPJFZQB-UHFFFAOYSA-N 329.425 3.689 0 50 EHAA CCCCN[C@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl 24302903 MUPLFFQULYFMNT-CYBMUJFWSA-N 337.678 3.811 0 50 EHAA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cccc3cccnc23)C1 67758175 KKPKRRLPMWJVCF-MRXNPFEDSA-N 334.423 3.540 0 50 EHAA Cc1cc(C)nc(CN2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)n1 72122539 UTNYYDBDCZQFMV-QGZVFWFLSA-N 339.418 3.836 0 50 EHAA Cc1ccccc1[C@H](C(=O)NCc1ccc(F)cc1Cl)N(C)C 95499435 KSYCFQPXHIANKL-QGZVFWFLSA-N 334.822 3.707 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1ccco1)N1CCC(c2ncc[nH]2)CC1 95513193 YFMOLWXGDZSOCN-SFHVURJKSA-N 349.434 3.931 0 50 EHAA Cn1ccnc1-c1csc(NC(=O)CCCc2cccs2)n1 119173106 MJPAPMNMQZVERG-UHFFFAOYSA-N 332.454 3.567 0 50 EHAA O=C(Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1)[C@@H]1CCCCO1 127362517 FYGRJNPMEYLHBM-KRWDZBQOSA-N 339.370 3.877 0 50 EHAA COc1cccc2c1CCCCN2C(=O)c1cc(-c2cccnc2)on1 129030927 VXSJQHUGKOJLJT-UHFFFAOYSA-N 349.390 3.728 0 50 EHAA O=C(NCc1ccccc1Oc1ccccc1)[C@@H]1CCCc2[nH]ncc21 133807397 IOZLMJBPSPHWFX-QGZVFWFLSA-N 347.418 3.938 0 50 EHAA O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1c(O)cccc1F 133829888 QYQPYYSEXPZTTI-OAHLLOKOSA-N 341.342 3.511 0 50 EHAA CN(C)c1ccc(/C=C2\N=C(c3cc4ccccc4[nH]3)OC2=O)s1 174896476 XDABREARQKGDTD-GDNBJRDFSA-N 337.404 3.640 0 50 EHAA CCc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccccn2)cc1CC 179286660 OPRHYQLZQQQKDL-CQSZACIVSA-N 332.469 3.588 0 50 EHAA CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1CCC[C@H](N)C1 216528018 JVGFUBANCKELCT-MSOLQXFVSA-N 338.451 3.955 0 50 EHAA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2cncc3ccccc23)CC1 225557286 ZMOKMVITVBXRDU-JENIJYKNSA-N 349.478 3.710 0 50 EHAA COc1ccc(OCCCC(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 242324392 ZAYZPPPEDHRMAP-IXDOHACOSA-N 331.456 3.939 0 50 EHAA COCc1ccc([C@@H]2CCCN2[C@H]2CCc3ccccc3NC2=O)o1 248831915 INIZJUMRPLFTJS-ROUUACIJSA-N 340.423 3.516 0 50 EHAA CN(Cc1ccon1)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 268937573 RXPLMRIEAUHPLE-MRXNPFEDSA-N 341.411 3.653 0 50 EHAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1csc(C(C)=O)c1 299800508 XBPYQRSXHAMDCD-KRWDZBQOSA-N 343.448 3.696 0 50 EHAA CCn1cnc2c(NCc3ccc(Oc4ccccc4)nc3)ncnc21 346633610 XDPBAUHCEXNUSO-UHFFFAOYSA-N 346.394 3.646 0 50 EHAA COc1ccccc1[C@@H]1CCCN1C(=O)c1oc(C2CC2)nc1C 363914693 VVMFDYFYBLAGHE-HNNXBMFYSA-N 326.396 3.846 0 50 EHAA COCCc1nc2cc(NC(=O)c3ccc4ncccc4c3)ccc2o1 439984051 PMXJQELHHKFTDJ-UHFFFAOYSA-N 347.374 3.817 0 50 EHAA Cc1nc(C2CCN(Cc3cc(C4CCCCC4)no3)CC2)n[nH]1 670470250 JLSLBFBXYTUNCH-UHFFFAOYSA-N 329.448 3.528 0 50 EHAA O=C(N[C@H]1CC=C(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 685944989 NCPGXDCNFMQHSH-AWEZNQCLSA-N 349.386 3.699 0 50 EHAA Cc1noc(C(C)C)c1NC(=O)C[C@@H]1CC(=O)Nc2ccccc21 830200181 YJEPXMWZNCVWSJ-LBPRGKRZSA-N 327.384 3.561 0 50 EHAA CCN(CC)CCOc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1 863983285 DZCIBFAREXVIEQ-HNNXBMFYSA-N 345.487 3.863 0 50 EHAA CCCOc1cccc(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)c1 929546017 KGXRVLIPRONDFN-HNNXBMFYSA-N 342.443 3.620 0 50 EHAA CN1[C@H]2CC[C@@H]1CCN(C(=O)Nc1ccc(-c3cscn3)cc1)C2 1076137618 CLHCVSCYJDBOKD-CVEARBPZSA-N 342.468 3.511 0 50 EHAA O=C(Nc1ccc2n[nH]cc2c1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 1776002440 QAMVCCJGBMMPKN-SJLPKXTDSA-N 336.395 3.605 0 50 EHAA CCc1csc(Cn2ccnc2-c2cc(CN(C)C)cs2)n1 1857694236 GVNFCTWFEWWSMW-UHFFFAOYSA-N 332.498 3.740 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2CO)cc1C 1875279013 JSPNBMRTQRYWMT-UHFFFAOYSA-N 339.844 3.558 0 50 EHAA Cc1cc(Cl)cc(C(=O)N[C@H](C(=O)O)[C@H]2CCc3ccccc32)c1 1875344973 QLSSJOANTVPRBY-IRXDYDNUSA-N 343.810 3.561 0 50 EHAA CN(c1cc(Cl)nc([C@@H]2CCCO2)n1)[C@H]1C[C@@H]1c1ccccc1 2325761513 LGZRAUGMCUDOOJ-ILXRZTDVSA-N 329.831 3.974 0 50 EHAA CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 56906 UGNIYGNGCNXHTR-SFHVURJKSA-N 339.391 3.634 0 50 EHAA biogenic,in-vitro CCOC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1 292444 BSHARISZHOJTQM-UHFFFAOYSA-N 346.452 3.557 0 50 EHAA O=C(Cc1c(F)cccc1Cl)Nc1nnc(C(F)(F)F)s1 367275 MWAGLASWUVNDSE-UHFFFAOYSA-N 339.701 3.531 0 50 EHAA COc1ccccc1N1C(=O)C[C@@H](Sc2ccc(Cl)cc2)C1=O 451021 FBDORUOAINBBHY-OAHLLOKOSA-N 347.823 3.773 0 50 EHAA O=C1CCCC[C@H]1Oc1ccc2c3c(c(=O)oc2c1)CCCCC3 523799 QPCILIIUPIOWGM-GOSISDBHSA-N 326.392 3.952 0 50 EHAA Cc1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 4384019 KGMZHDLNBVOKSR-UHFFFAOYSA-N 346.419 3.559 0 50 EHAA O=C([C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1)N1CCCCCC1 4745255 JGFSFURNCWMKBO-QGZVFWFLSA-N 339.483 3.783 0 50 EHAA Cc1ccc([C@@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)OC3)cc1 6702032 HKRHFHSTRAWJDX-KRWDZBQOSA-N 333.387 3.635 0 50 EHAA c1ccc(CCCN[C@@H]2CCCc3c2cnn3-c2ccccn2)cc1 11665171 QVRXOFLEYGYXTJ-LJQANCHMSA-N 332.451 3.867 0 50 EHAA Cc1ccccc1CN1CCN(C/C=C/c2ccccc2)CCC1=O 12001420 QTSBIRTZIDCKKC-YRNVUSSQSA-N 334.463 3.743 0 50 EHAA Cc1ccccc1-n1ncc([C@H](C)NC(=O)COc2ccccc2)c1C 12431980 CYIPORNNVCQXGB-INIZCTEOSA-N 349.434 3.745 0 50 EHAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 12822264 JUMNDMNNZVEUNH-MRXNPFEDSA-N 330.428 3.517 0 50 EHAA in-vitro COc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1OC 13326305 JPZMTRZGGYIGTR-UHFFFAOYSA-N 347.239 3.652 0 50 EHAA O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccc2)CC1 20523139 GSABPYJJIVZIFT-UHFFFAOYSA-N 333.794 3.833 0 50 EHAA CN(C)[C@@H](CNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccco1 47648920 NVZPGGCINUPLOI-FAKMSMKASA-N 330.472 3.605 0 50 EHAA CCCCC(=O)Nc1ccc(NC(=O)CCn2cc(Cl)cn2)cc1 55199933 AUIOLUOEXXRYAS-UHFFFAOYSA-N 348.834 3.694 0 50 EHAA CCOc1ccccc1CN(CCCn1nc(C)cc1C)C1CC1 55360761 ACYLYTYJCXFFII-UHFFFAOYSA-N 327.472 3.953 0 50 EHAA Cc1ccc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)o1 61931499 ROCFOIBAEVAOLQ-UHFFFAOYSA-N 335.363 3.896 0 50 EHAA in-vitro Cc1cccc(CN(C(=O)Cc2c(C)nc3ccccn23)C(C)C)c1 63832471 KWSJIZYMUDOBEE-UHFFFAOYSA-N 335.451 3.931 0 50 EHAA Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCCN(Cc2ccco2)C1 67983180 WXNNUQJUWXEFGE-HNNXBMFYSA-N 346.858 3.883 0 50 EHAA CCCCc1nc(CN2CC[C@@H](n3nc(C)cc3C)C2)c(Cl)[nH]1 72153879 RHZAVZQUERWMMN-CQSZACIVSA-N 335.883 3.666 0 50 EHAA c1cnn(CC[C@@H]2CCCCN2Cc2ccc(-n3ccnc3)cc2)c1 77420141 JTGGINWIMFCGGS-IBGZPJMESA-N 335.455 3.514 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)N[C@H](CC(C)(C)C)c1cccnc1 82098572 MHNSSVZWAFSYNO-GOSISDBHSA-N 342.487 3.658 0 50 EHAA CC(C)c1nc(CCNC(=O)c2ccc(-c3cc[nH]n3)cc2)cs1 91644254 IZONYJZAIMRHNX-UHFFFAOYSA-N 340.452 3.629 0 50 EHAA CN(CCN1CCCCCC1)C(=O)Nc1ccc(F)cc1Cl 96148229 OMJITDSTUNBHNY-UHFFFAOYSA-N 327.831 3.819 0 50 EHAA CCc1cc(Cl)ccc1NC(=O)N(Cc1cnn(C)c1)C1CC1 96165954 RIEQVBGBHSRBPE-UHFFFAOYSA-N 332.835 3.832 0 50 EHAA Clc1cccc(COc2cccc(-c3nc4c([nH]3)CCNC4)c2)c1 97394182 DZXZWEAUFBULDV-UHFFFAOYSA-N 339.826 3.955 0 50 EHAA CC(=O)N1CCc2cccc(NCc3nc(-c4cccc(C)c4)no3)c21 122258882 HOFNXZVUFZUHNB-UHFFFAOYSA-N 348.406 3.566 0 50 EHAA Cc1cc(C)n([C@H](C)C(=O)Nc2ccn(-c3ccccc3Cl)n2)n1 123911003 LTYXQOFPMTUFQX-CYBMUJFWSA-N 343.818 3.539 0 50 EHAA Cc1ccc(S(=O)(=O)n2nc(C)c3c(Cl)c(C)ccc32)cc1 147001559 SAJGGRTWCRSPMW-UHFFFAOYSA-N 334.828 3.852 0 50 EHAA CC(=O)NCc1cccc(C(=O)N2CCCc3cccc(Cl)c32)c1 170613028 IOVNOEMETDZZDC-UHFFFAOYSA-N 342.826 3.569 0 50 EHAA CN(C)c1cccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 170639531 MZKOOSBXJOPPPJ-IBGZPJMESA-N 330.859 3.980 0 50 EHAA O=C(CCc1ccsc1)N1CCC[C@H]1C[C@H](O)c1cccs1 176241606 LQNUSMOSJIUUPH-GJZGRUSLSA-N 335.494 3.857 0 50 EHAA CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C(=O)O)co1 183808832 CDXFZUACJISQRN-UHFFFAOYSA-N 343.257 3.648 0 50 EHAA CC[C@H]1CN(C(=O)c2oc(CC(C)C)nc2C)c2ccccc2O1 188882124 OJHNSPQNJIEXTJ-AWEZNQCLSA-N 328.412 3.999 0 50 EHAA CCn1nc(C)c(NC(=O)NCc2c(Cl)cccc2OC)c1C 190109711 WNHXZZLKQISVGT-UHFFFAOYSA-N 336.823 3.504 0 50 EHAA COC(=O)C1CCC(Nc2cccc(NC(=O)c3ccoc3)c2)CC1 192447327 WPXNNGWDHQXHCX-UHFFFAOYSA-N 342.395 3.676 0 50 EHAA CN(Cc1ccccc1CN1CCCC1)C[C@@H]1CCOC(C)(C)C1 215081001 JDCICIYKVMCOKG-GOSISDBHSA-N 330.516 3.919 0 50 EHAA COc1cccc(-c2cccc(C(=O)NCCC[C@H]3CCOC3)c2)c1 223098642 JQTAXBRUSYMKDC-INIZCTEOSA-N 339.435 3.909 0 50 EHAA CCc1ccc(NC(=O)c2ccccc2S[C@H](C)C(N)=O)cc1F 225752977 CYFGFBQPYYELLS-LLVKDONJSA-N 346.427 3.606 0 50 EHAA O=C(O)C1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 243071501 ILKJHNXIZDGDII-UHFFFAOYSA-N 340.379 3.807 0 50 EHAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(-c2ccccc2)no1 247846605 PTHMDVFWWFEYJA-IPELMVKDSA-N 340.423 3.648 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2cc3cn[nH]c3cc2C)c(Cl)c1 252492661 MRUOFRUHRPMLSW-UHFFFAOYSA-N 335.816 3.634 0 50 EHAA O=C(CCn1ccc2ccccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O 253396047 KEHBWXPCFDVISV-DFQSSKMNSA-N 340.467 3.574 0 50 EHAA C[C@@H]1CCCCN1CCC1CCN(C(=O)C(C)(C)C(F)F)CC1 253421573 YGXKTWJVUVPQEY-CQSZACIVSA-N 330.463 3.781 0 50 EHAA C[C@]1(c2nc(-c3cccc(Oc4ccccc4)c3)no2)CCC(=O)NC1 253427144 GSUVEQNPZNEPML-FQEVSTJZSA-N 349.390 3.697 0 50 EHAA O=C(Nc1ncccc1-c1ccccc1)c1cc2c(cn1)OCCC2 253427277 OWPDWVUGBZAIMF-UHFFFAOYSA-N 331.375 3.721 0 50 EHAA C[C@H](O)CCSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 253432975 QLOHTNGWZMBNSF-ZDUSSCGKSA-N 343.427 3.936 0 50 EHAA Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2F)c1 253599775 UUHBCEFEYZSCEL-RYQLBKOJSA-N 341.430 3.515 0 50 EHAA C[C@H](NC(=O)C1SCCS1)c1nc(-c2ccccc2)cs1 270547072 YXJXGSYOQFUTFW-JTQLQIEISA-N 336.507 3.793 0 50 EHAA CCc1cc(C)c(C(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)o1 299745504 ZRGUESQIBWGMGQ-KSSFIOAISA-N 331.387 3.797 0 50 EHAA CCCC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1cccnc1 299781410 DPWYIIOUMURGGO-MRXNPFEDSA-N 326.396 3.514 0 50 EHAA O=C(Nc1ccccc1)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 299801204 WDMJBCDNMRGQSR-QUCCMNQESA-N 335.451 3.815 0 50 EHAA Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CC4CCC3CC4)c12 351694472 RBPOUNHLBZCBRF-KOHJWAIASA-N 325.412 3.717 0 50 EHAA O=C(Nc1ccccc1-n1ccnc1)[C@@H]1C[C@]12CCOc1ccccc12 356984528 SDYXAQWJHGWCMP-KKSFZXQISA-N 345.402 3.551 0 50 EHAA O=C(NCCCC[C@@H]1CCCO1)c1cccc(-c2ncccc2F)c1 426678171 SPNIKYULFVUWLK-QGZVFWFLSA-N 342.414 3.967 0 50 EHAA O=C(CCc1cccs1)NCc1c(C(=O)O)sc2ccccc12 676018239 DBOIMZIMRJIGKW-UHFFFAOYSA-N 345.445 3.910 0 50 EHAA COc1cccc(OC)c1C(=O)Nc1cccc(CN2CCCC2)c1 824795651 MZJSQPQTQSJZCP-UHFFFAOYSA-N 340.423 3.552 0 50 EHAA CO[C@@H](C(=O)Nc1scnc1C)c1ccccc1C(F)(F)F 934747992 UQEVCPPJNHJPKQ-LLVKDONJSA-N 330.331 3.797 0 50 EHAA COc1ccc2c(c1)C[C@@H](c1nnc(-c3ccccc3F)o1)CO2 1326483590 BRJQPXHVMBFKHF-GFCCVEGCSA-N 326.327 3.603 0 50 EHAA Fc1cccc([C@H]2CN(Cc3cccc(-c4cn[nH]c4)c3)CCO2)c1 1875340730 PDLJKGNREPVXFE-HXUWFJFHSA-N 337.398 3.789 0 50 EHAA CC(C)OCc1c(-c2nc([C@@H](N)C3CC3)no2)oc2ccccc12 2325705582 NPDFZXGVMORCLS-HNNXBMFYSA-N 327.384 3.818 0 50 EHAA CC[C@@H](C(=O)N=c1[nH]sc2nc(C)cc(C)c12)c1ccccc1 2356152539 OOJWJTNYIQAVTA-CQSZACIVSA-N 325.437 3.862 0 50 EHAA COc1ccc(OC)c([C@H](O)c2nc3ccccc3n2C(C)C)c1 84620 IOWBMUOTPSSDMZ-SFHVURJKSA-N 326.396 3.716 0 50 EHAA Cc1nnc(SCCC(=O)Nc2ccccc2C(F)(F)F)s1 110204 KBKYEOICHNVUAJ-UHFFFAOYSA-N 347.387 3.986 0 50 EHAA CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1 298061 RUGFDCGTNJCYJC-AWEZNQCLSA-N 342.826 3.894 0 50 EHAA CC[C@@H](C(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1 455718 VGLVNNUHMZBMOM-GOSISDBHSA-N 338.451 3.538 0 50 EHAA C[C@H](O)CN(Cc1cccc(Cl)c1)C(=S)Nc1ccccc1 528567 ZMZMFOMLBOGNPD-ZDUSSCGKSA-N 334.872 3.920 0 50 EHAA CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1OC)OC(=O)C2 544894 TVCJJESLKFUKOR-HXUWFJFHSA-N 342.391 3.681 0 50 EHAA CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)c2cccs2)cc1 4600858 RKQYFXQZQGKKLW-CQSZACIVSA-N 331.437 3.991 0 50 EHAA CCCN(CCC)C(=O)CCSCCC(=O)N(CCC)CCC 4894643 KRYUTYRBUPYMMJ-UHFFFAOYSA-N 344.565 3.797 0 50 EHAA CCOC(=O)C1CCN(CCCCOc2ccccc2Cl)CC1 6703192 LSPNLDVBYZFHFI-UHFFFAOYSA-N 339.863 3.774 0 50 EHAA Cc1csc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)n1 8014913 YPWAQDJCWJWWEY-UHFFFAOYSA-N 338.845 3.712 0 50 EHAA COC[C@@H]1CCCCN1Cc1nc(-c2ccc(OC)cc2)oc1C 11933937 CHAARZMQOXIAEJ-INIZCTEOSA-N 330.428 3.660 0 50 EHAA COC(=O)c1c(NC(=S)N2CCC[C@@H](C)C2)sc(C)c1C 17066868 CWMNENUSLLWVSO-SECBINFHSA-N 326.487 3.580 0 50 EHAA Fc1ccccc1OC1CCN(CCn2ncc3ccccc32)CC1 19228456 AHYSYDAYFWXADZ-UHFFFAOYSA-N 339.414 3.719 0 50 EHAA Brc1cccc(CN2CCN(C3CCCCC3)CC2)c1 19809248 NIUFRFULLABHHL-UHFFFAOYSA-N 337.305 3.899 0 50 EHAA Cc1c(CN2CC[C@@H](CNC(=O)c3ccco3)C2)oc2ccccc12 67587700 PHQPTRWOXJGJGZ-HNNXBMFYSA-N 338.407 3.586 0 50 EHAA OC[C@@]1(CCOc2ccccc2)CCCN(c2ccc(Cl)cn2)C1 67947946 LKAKRZWGQTYBLU-LJQANCHMSA-N 346.858 3.783 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O 69554625 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0 50 EHAA CCn1ccnc1CN(C)C(=O)Nc1ccc(C(F)(F)F)c(F)c1 299800269 WISVLDUYRDJKPW-UHFFFAOYSA-N 344.312 3.725 0 50 EHAA O=C(Cc1cccs1)Nc1cc(Cl)cnc1Br 304623914 XZZLQWLHYOELDJ-UHFFFAOYSA-N 331.622 3.740 0 50 EHAA CC(C)(C)c1ccc(SCC(=O)N2CCC[C@H]2c2ncon2)cc1 328592130 RLOFTLIKLIIQHQ-HNNXBMFYSA-N 345.468 3.823 0 50 EHAA O=C(c1cccc2c[nH]nc12)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 357096197 WLTMJNLENFJZNY-SFHVURJKSA-N 345.324 3.552 0 50 EHAA COc1ccc(Cn2cc(-c3cnn([C@@H]4CCCCO4)c3)cn2)cc1 426624791 QYWMMPQYTWQXSF-IBGZPJMESA-N 338.411 3.503 0 50 EHAA COc1ccccc1CNC(=N)NCCC(C)(C)c1ccccc1 849065160 YIWYAAHPJBGMNH-UHFFFAOYSA-N 325.456 3.677 0 50 EHAA Fc1ccc([C@@H](NCc2cn3ccsc3n2)C2CCOCC2)cc1 883177740 HKTSOFMDAKHUQR-QGZVFWFLSA-N 345.443 3.792 0 50 EHAA CCOc1ccc(F)c(NC(=O)N2Cc3ccc(OC)cc3C2)c1F 888093941 MUFJCLAGRBEAQE-UHFFFAOYSA-N 348.349 3.920 0 50 EHAA CCCc1cccc(CN2CC[C@H](c3ncc(C(=O)O)s3)C2)c1 905742391 ZJTOLOQVXXAQPA-HNNXBMFYSA-N 330.453 3.783 0 50 EHAA CCCCc1ncc(CN[C@@H](C)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)[nH]1 952963674 LHJIAQYTXGZTII-XRQSOVCCSA-N 331.504 3.562 0 50 EHAA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)C(=O)C1(C)CCCC1 952992538 PFUCOGBYHXGKQL-GFCCVEGCSA-N 343.393 3.503 0 50 EHAA Cc1ccc2[nH]cc(CCNC(=O)c3ccc(NCC4CC4)nc3)c2c1 1305274125 HYQAYHFMNSSAPV-UHFFFAOYSA-N 348.450 3.666 0 50 EHAA Cc1cc(N2CCC[C@]3(CCC(=O)N(C)C3)C2)c2cc(F)ccc2n1 1506414743 UHVVDAJRGGAWOY-HXUWFJFHSA-N 341.430 3.521 0 50 EHAA COC(=O)c1cnc(NC(=O)c2ccccc2OC2CCCC2)s1 1875257361 BYLGMJFBBKDVBB-UHFFFAOYSA-N 346.408 3.503 0 50 EHAA O=C(N[C@H]1CC12CCC2)c1ccc(-c2ccc3c(c2)OCCO3)s1 1875312099 HNWYLXCNCZWHMK-KRWDZBQOSA-N 341.432 3.859 0 50 EHAA COc1ccc2c(c1)CC[C@H]1[C@@H]2OCCN1C(=O)C1(F)CCCCC1 1875326900 KBYQOUWHBRWERL-ZWKOTPCHSA-N 347.430 3.582 0 50 EHAA Cc1ccc([C@H](O)c2cncc(-c3ccc4nc(O)n(C)c4c3)c2)cc1 1875337444 UOMVCQCRGJITNC-FQEVSTJZSA-N 345.402 3.731 0 50 EHAA CC(C)(C)OC(=O)NCc1cc2cc(Br)cnc2o1 1875354648 ZIMWEWXBLBITQK-UHFFFAOYSA-N 327.178 3.615 0 50 EHAA O=C(COc1ccc(I)cc1)c1ccccc1 144002 XXSNTMYVYFDZSJ-UHFFFAOYSA-N 338.144 3.553 0 50 EHAA COc1ccc(C2(CNC(=O)c3ccccc3)CCCC2)cc1OC 340622 SMMHUAXSCQRSQN-UHFFFAOYSA-N 339.435 3.946 0 50 EHAA Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 452647 KVNUBTYBQVGEFM-UHFFFAOYSA-N 330.236 3.780 0 50 EHAA Cc1cc(OC(F)F)ccc1NC(=O)Nc1ccc2c(c1)OCO2 609118 LUWBOFKWJAGDDJ-UHFFFAOYSA-N 336.294 3.969 0 50 EHAA Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3c(C)cccc3C)CC2=O)c1 1072342 UGYRKXQCOMESTE-KRWDZBQOSA-N 336.435 3.912 0 50 EHAA CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ncccc1C 4970494 IHTPMPJFVSXCTB-UHFFFAOYSA-N 340.832 3.551 0 50 EHAA Cc1ccccc1-c1cccc(NC(=O)N2C[C@H]3[C@H](CN(C)C)[C@H]3C2)c1 102519455 RWKGTNXOZIVPIJ-MZADTFQBSA-N 349.478 3.933 0 50 EHAA CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)OCCO2 8496648 YOUBCEZMDXUEPJ-MRXNPFEDSA-N 327.380 3.562 0 50 EHAA Cc1nnc([C@H](C)N2CCC[C@@H](COc3ccccc3Cl)C2)o1 245728876 AMBUDGJKUAXCDO-GXTWGEPZSA-N 335.835 3.883 0 50 EHAA CCc1cccc(NC(=O)CCC(=O)N(C)[C@H](C)c2nccs2)c1 55211756 QCKGTYUZTTWIKI-CYBMUJFWSA-N 345.468 3.644 0 50 EHAA COc1cccc(CNC(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)c1 64667184 WTYNKQBLRZWUQO-QGZVFWFLSA-N 343.427 3.853 0 50 EHAA Cc1ccc2[nH]c(=O)cc(C(=O)N(Cc3ccsc3)C3CC3)c2c1 65419918 YVIMUJZCYCTXBO-UHFFFAOYSA-N 338.432 3.703 0 50 EHAA CC(C)(C)c1cc(CN2CCc3[nH]cnc3[C@H]2c2ccsc2)[nH]n1 67490824 SSKYNVOPVGHQIJ-QGZVFWFLSA-N 341.484 3.640 0 50 EHAA Cc1n[nH]c([C@@H](C)Oc2cc3oc(=O)c(C)c(C)c3cc2Cl)n1 65530402 NFXHQXXBSBCKCU-SECBINFHSA-N 333.775 3.630 0 50 EHAA Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2n1 32089436 DJFCWPOVLDJNRV-UHFFFAOYSA-N 349.409 3.645 0 50 EHAA Cc1ccc(OC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)cc1 252486592 MBEFSNJBGOOYCR-NXHRZFHOSA-N 337.423 3.528 0 50 EHAA NC(=O)CC[C@@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 72158907 JRBIOCDECAORMW-HNNXBMFYSA-N 328.481 3.893 0 50 EHAA O=C(Nc1cccc(F)c1)Nc1ncn(Cc2ccccc2Cl)n1 5041370 VZZNZUVWSAYBMX-UHFFFAOYSA-N 345.765 3.763 0 50 EHAA O=C(Nc1ccc(F)c(C2CC2)c1)N1CCC[C@@H](c2ccn[nH]2)C1 253425719 DSFJNLVYQLFRGY-CYBMUJFWSA-N 328.391 3.838 0 50 EHAA CCN(Cc1noc(C)n1)C(=O)c1cc(C(F)(F)F)ccc1Cl 218823688 GEIOPHHJPZPLQG-UHFFFAOYSA-N 347.724 3.713 0 50 EHAA Cc1ccc([C@H]2CCCCCN2C(=O)NC2CCN(C3CC3)CC2)o1 155791132 GLJHJUWHZAGSJD-GOSISDBHSA-N 345.487 3.842 0 50 EHAA CC(C)c1cc(NC2CCN(Cc3ccco3)CC2)n2nccc2n1 72154306 KCYLWSNKKIWZBF-UHFFFAOYSA-N 339.443 3.522 0 50 EHAA Cc1ccc(CN(Cc2ccncc2)C(=O)[C@H]2CCCCO2)s1 216376133 QFJXRLWNYVEVRY-QGZVFWFLSA-N 330.453 3.549 0 50 EHAA CC(=O)c1cc(C(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)cs1 82106877 KXHLMRWFGGCMQC-OAHLLOKOSA-N 342.464 3.549 0 50 EHAA Cn1cnnc1CCn1ccnc1-c1cccc(Oc2ccccc2)c1 82097072 OAQPMNSHLWWSTQ-UHFFFAOYSA-N 345.406 3.714 0 50 EHAA CCN(CC)CCN(C)C(=O)Nc1cccc(-c2cccnc2)c1 96151578 QFHBSMOLVGGZEA-UHFFFAOYSA-N 326.444 3.554 0 50 EHAA CSc1cccc(CN(C)C(=O)c2cccc(CN(C)C)c2)c1 97730150 CGXTYMIAYIMMCT-UHFFFAOYSA-N 328.481 3.742 0 50 EHAA Cc1cccnc1N1CCN(C(=O)c2ccc3sccc3c2)CC1 91872264 QNGBTUZUWPMICR-UHFFFAOYSA-N 337.448 3.567 0 50 EHAA C[C@@H](c1ccon1)N(C)Cc1ccc(-c2ccc(C(=O)O)cc2)o1 97259358 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338.132 3.539 0 50 EHAA C[C@H](NC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1)c1ccncc1 6699820 GVIPDMMWUDCGLF-NWDGAFQWSA-N 338.329 3.745 0 50 EHAA c1ccc(SCc2nnc3sc(-c4cccnc4)nn23)cc1 6747666 JLOZAXVLBRFHKR-UHFFFAOYSA-N 325.422 3.540 0 50 EHAA CCN(C[C@H]1COc2ccccc2O1)C(=S)Nc1ccccc1 8682811 YCJKERKPMJNTNO-HNNXBMFYSA-N 328.437 3.545 0 50 EHAA COc1ccccc1OCC(=O)Nc1ccccc1OCC(C)C 8722975 DQLNAKVZLSWLMX-UHFFFAOYSA-N 329.396 3.748 0 50 EHAA CCOC(=O)CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 8972225 NEYNDFDTBMDURN-UHFFFAOYSA-N 348.468 3.503 0 50 EHAA CC(C)(CO)NC(=O)C[C@H](c1ccccc1)c1ccc(Cl)cc1 11771661 TXMYHWLKQZQJQT-QGZVFWFLSA-N 331.843 3.749 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1cccc(Cl)c1)N1CCOCC1 12315637 PZMNCDNYKYQCCG-SFHVURJKSA-N 329.827 3.721 0 50 EHAA CCCNC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)cc1 12404204 AAKDRPQGCDYYTF-GOSISDBHSA-N 340.423 3.623 0 50 EHAA C[C@@H]1CCc2c(C(=O)Nc3ccc4c(c3)OCCO4)csc2C1 13327510 OLZQVBURWBWEHZ-LLVKDONJSA-N 329.421 3.896 0 50 EHAA CC[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 16604844 PORRSOJOMYJBLL-NRFANRHFSA-N 336.479 3.961 0 50 EHAA Cc1nccn1-c1ccc(NC(=O)Cc2noc3ccccc23)cc1 20149404 NOBWVPCBTBEHBC-UHFFFAOYSA-N 332.363 3.503 0 50 EHAA O=C(c1ccccc1Cl)N1CCN(Cc2ccccc2Cl)CC1 20495056 XTDSQGZTUNWGHR-UHFFFAOYSA-N 349.261 3.951 0 50 EHAA CC(C)(C)CC(C)(C)NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 20607497 ZAMLLJBDYVIXFT-UHFFFAOYSA-N 345.409 3.722 0 50 EHAA CC(C)OC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 21788854 WMTXSUPGHBXDNF-UHFFFAOYSA-N 349.312 3.980 0 50 EHAA CCCCc1cn(C2CCN(C(=O)CC3CCCCC3)CC2)nn1 48200531 HVMVCTLQXVVWME-UHFFFAOYSA-N 332.492 3.755 0 50 EHAA c1ccc(C2(CNC3CCC4(CCNCC4)CC3)CCOCC2)cc1 67784303 KCPCJMKZTPAVAG-UHFFFAOYSA-N 342.527 3.637 0 50 EHAA O=C(O)C1(CCCc2ccccc2)CCN(Cc2ccccn2)CC1 71615122 FOLVDECZUMMRKC-UHFFFAOYSA-N 338.451 3.771 0 50 EHAA O[C@@H]1Cc2ccccc2C12CCN(Cc1ccc3[nH]ccc3c1)CC2 72145049 MUMZXJLSIQNACJ-OAQYLSRUSA-N 332.447 3.619 0 50 EHAA O=C([C@@H]1CC=CCC1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 72477426 IUHDMZZNKVENQJ-CQSZACIVSA-N 327.403 3.764 0 50 EHAA O=C(c1ccccc1)[C@@H]1CCCN(Cc2cnc(-c3ccco3)nc2)C1 72481257 QXJZUJXJFUVCSR-GOSISDBHSA-N 347.418 3.832 0 50 EHAA CC(C)n1cc(C(=O)N[C@H](c2ccncc2)c2ccc(F)cc2)cn1 77375035 ZLZMOLDFKVVPIZ-SFHVURJKSA-N 338.386 3.518 0 50 EHAA c1cc(-c2nc3ccccc3[nH]2)cc(-n2ccnc2-c2ncc[nH]2)c1 77489217 VXXFDBPDAKGEFW-UHFFFAOYSA-N 326.363 3.806 0 50 EHAA Cc1nc2cc(C(=O)N3CCCN(c4ccccc4C)CC3)ccc2[nH]1 82134023 XATIRRVTQSBBBT-UHFFFAOYSA-N 348.450 3.532 0 50 EHAA Cc1nc(N[C@@H](C)c2ccc3c(c2)OCCCO3)c2c(C)noc2n1 95386930 WZADDXSTARYFDA-JTQLQIEISA-N 340.383 3.569 0 50 EHAA Cc1cc([C@H]2CCCCN2C(=O)Nc2cc3c(cc2C)OCO3)no1 95501203 FGHJHNZIKPSUKW-OAHLLOKOSA-N 343.383 3.779 0 50 EHAA Cc1csc(CNC(=O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)n1 122113682 XJEQBJBMSVZHQI-GJZGRUSLSA-N 329.469 3.848 0 50 EHAA COc1ccc([C@@H]2CCCN2Cc2c[nH]nc2-c2cccnc2)cc1 155172868 CLNYOVWFOQANHQ-IBGZPJMESA-N 334.423 3.817 0 50 EHAA Cc1nc2ccc(N(C)C(=O)C[C@@H](N)c3ccccc3)cc2s1 170682457 BNMBYFCBIINAOI-OAHLLOKOSA-N 325.437 3.658 0 50 EHAA Cc1ccc(Cn2nccc2NC(=O)c2cc(F)c(F)cc2F)o1 178684877 FUUHCHXCJNATBL-UHFFFAOYSA-N 335.285 3.502 0 50 EHAA C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CC12CCNCC2 237409801 PWQRXHCGHWLNHS-BXUZGUMPSA-N 341.282 3.903 0 50 EHAA Cc1cc(NC(=O)N2CCC(N3CCCC3=O)CC2)cc(C)c1Cl 253430254 VWJXMPROLFEOHM-UHFFFAOYSA-N 349.862 3.576 0 50 EHAA Cc1nc(C)n(C[C@@H]2CCCN(Cc3ncc(C(C)(C)C)s3)C2)n1 253430385 WETVSQJYPMNGSK-OAHLLOKOSA-N 347.532 3.561 0 50 EHAA O=C(c1ccoc1C1CC1)N1CCC[C@H]1C[C@@H](O)c1cccs1 253430491 JOLCJPXQLRLJDA-DZGCQCFKSA-N 331.437 3.947 0 50 EHAA Cc1nc2c(C(=O)N3C[C@H](C)O[C@H](c4ccsc4)C3)cccc2o1 328588579 IZDBSGJVLSPGPS-ZBEGNZNMSA-N 342.420 3.800 0 50 EHAA Cc1noc2ncc(C(=O)N[C@H]3CC[C@H](c4ccc(F)cc4)C3)cc12 332944326 WKXDRNWUPOFMDL-BBRMVZONSA-N 339.370 3.736 0 50 EHAA COc1ccc2c(c1)[C@H](C)N(C(=O)c1csc(SC)n1)CC2 426403775 UHLSPSGCVRYMLF-JTQLQIEISA-N 334.466 3.633 0 50 EHAA Cc1nc([C@@H]2CCOC2)cc(=NCc2ccc(Cl)c(Cl)c2)[nH]1 426552371 SFTFGHARTRHZIB-GFCCVEGCSA-N 338.238 3.630 0 50 EHAA Cc1cccc(Cl)c1OCCNC1CCN(Cc2ccco2)CC1 1506408212 CHYFREXPUQAYAK-UHFFFAOYSA-N 348.874 3.874 0 50 EHAA CSc1cccc(CN(C(=O)[C@@H](C)Cn2cccn2)C(C)C)c1 1506424996 AXVKDUDHRCDGDE-HNNXBMFYSA-N 331.485 3.678 0 50 EHAA C[C@@H](C(=O)N1CCC(F)(c2ccccc2Cl)CC1)c1ncccn1 1775988151 PJWFDNYLYZUFHQ-CYBMUJFWSA-N 347.821 3.721 0 50 EHAA CCn1cnc(Cn2ccnc2-c2cnc(-c3ccccc3C)nc2)c1 1857740770 YWAJSRFBWYLYMM-UHFFFAOYSA-N 344.422 3.580 0 50 EHAA CC1(C)O[C@H]2C[C@H](Nc3ncnc4sc5ccccc5c34)C[C@H]2O1 1875324956 PKZSHOPCXDLLHA-UOJUARBOSA-N 341.436 3.939 0 50 EHAA CC(C)n1ncc2c1C[C@@H](N[C@H](c1ccccc1)C1(O)CCC1)CC2 1875369160 WYPARHPXVSGNSF-AZUAARDMSA-N 339.483 3.567 0 50 EHAA C=CC(=O)N(Cc1cccs1)C[C@H]1CCN(c2ccccc2)C1 1875375823 JHJQPQULXDFHSK-INIZCTEOSA-N 326.465 3.789 0 50 EHAA Cc1[nH]nc2ncc(CN3CC[C@H](c4cn(C)c5ccccc45)C3)cc12 2325720312 QCGIDPLSRDFKBF-INIZCTEOSA-N 345.450 3.748 0 50 EHAA CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc2n1CCN[C@@H]2C 2325857972 WIMFKYCEALULOM-MRXNPFEDSA-N 347.462 3.968 0 50 EHAA CCCN1CCC[C@]2(CCCN2Cc2cc3ccccc3o2)C1=O 2356133982 QSIRICGAOGHALP-FQEVSTJZSA-N 326.440 3.800 0 50 EHAA CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(O)cc3)n2)s1 4092534 LVRAAIKDYFGGMD-UHFFFAOYSA-N 346.437 3.983 0 50 EHAA CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(F)c1 7720275 HJEOWWFMMXYQCY-UHFFFAOYSA-N 345.761 3.801 0 50 EHAA COc1ccc(C)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C 225389574 PZPWCQDNRRDEFT-HNAYVOBHSA-N 341.455 3.817 0 50 EHAA Cc1nn(C)c(C)c1CN(C(=O)c1cc2ccccc2n1C)C(C)C 55211645 JQBYMKPJKZZBEQ-UHFFFAOYSA-N 338.455 3.579 0 50 EHAA O=C(Nc1ccccc1F)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 20277135 CJJHVMGAWWAAHV-MRXNPFEDSA-N 346.789 3.722 0 50 EHAA FC(F)(F)c1ccc(Cn2ccnc2-c2ccc3nonc3c2)cn1 67490165 SHFWUCNSPWGYRK-UHFFFAOYSA-N 345.284 3.548 0 50 EHAA C[C@H](O)CN1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 67872675 FKRSIJKMIDVRIN-HNNXBMFYSA-N 334.419 3.748 0 50 EHAA CCC(=O)N1CCC[C@@H]1c1nc(CC(C)C)nn1-c1ccccc1F 65460131 BTKKERMOLAKKQS-MRXNPFEDSA-N 344.434 3.678 0 50 EHAA Cc1cccc(Cn2ncc(C)c2NC(=O)CCOc2ccccc2)c1 63855349 JYSSLXLYKQFXJV-UHFFFAOYSA-N 349.434 3.956 0 50 EHAA C[C@@H](c1ccco1)N(C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 67447011 ZUKCCRNQBFLHEU-LBPRGKRZSA-N 343.358 3.554 0 50 EHAA CC(C)(C)OC(=O)N1CCOC[C@H]1c1nc(-c2cccnc2)cs1 328599405 ROTUBUXQHIYKQG-AWEZNQCLSA-N 347.440 3.514 0 50 EHAA c1ccc2oc(C3CCN(CCCO[C@@H]4CCCCO4)CC3)nc2c1 328586378 FVKDUSDTVPDZPM-LJQANCHMSA-N 344.455 3.941 0 50 EHAA COc1ccc(-n2ccnc2-c2ccc(O)c(Cl)c2)cc1OC 71315352 MFIBJBZIEIWGRV-UHFFFAOYSA-N 330.771 3.916 0 50 EHAA COc1ccc(F)c(F)c1-c1nccn1[C@@H](C)Cn1nc(C)cc1C 71747899 VCZRMOMVIXMNSN-ZDUSSCGKSA-N 346.381 3.911 0 50 EHAA Cc1cccc(S(=O)(=O)Nc2cccc(CN3CCCCC3)c2)c1 444040344 QHCWMZAONMMCKC-UHFFFAOYSA-N 344.480 3.782 0 50 EHAA Clc1ccc([C@@H]2CN(CCCn3ccnc3)CCO2)cc1Cl 71774573 MTFISSZFZCEBIA-INIZCTEOSA-N 340.254 3.654 0 50 EHAA C[C@H](Cc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1)C(=O)O 262752228 JKMRNODWTGDOOM-CYBMUJFWSA-N 341.411 3.514 0 50 EHAA Cc1ncc(C(=O)N2CCC(Sc3ccccc3C)CC2)c(C)n1 77422724 FGEOKLBUVIXZJY-UHFFFAOYSA-N 341.480 3.799 0 50 EHAA COc1ccc(CCCC(=O)N2CC(Oc3ccccc3C)C2)cc1 222626464 LYMIPUQQHZPXSM-UHFFFAOYSA-N 339.435 3.616 0 50 EHAA COCCC[C@@H]1CCCCN1C(=O)c1ccc(OC)c(Cl)c1 82138613 CDZAXZCDXAHCQO-AWEZNQCLSA-N 325.836 3.770 0 50 EHAA Cc1n[nH]c(C)c1CCCNC(=O)N(C)[C@@H]1CCCc2ccccc21 426486052 VYGVMQOPVOYXGJ-LJQANCHMSA-N 340.471 3.678 0 50 EHAA CCn1nc(C)c(CCNC(=O)c2ccc3oc(C)cc3c2)c1C 91907124 BDJMAZLXLBSLFQ-UHFFFAOYSA-N 325.412 3.547 0 50 EHAA CCOc1ccccc1OCCNCCCC(=O)c1ccccc1 96027173 RTDFXPZREQENMC-UHFFFAOYSA-N 327.424 3.717 0 50 EHAA CCCc1sc(C)nc1C(=O)N(C)C[C@@H]1CCCN2CCCC[C@H]12 253412925 SMFKKURWDOXJIO-JKSUJKDBSA-N 349.544 3.741 0 50 EHAA biogenic COc1cccc(CCC(=O)NCC2(N3CCCCC3)CCCC2)c1 670439139 LVSMQBLRCOQMDG-UHFFFAOYSA-N 344.499 3.543 0 50 EHAA CC(=O)CCC(=O)OCc1nc(-c2c(F)cccc2F)cs1 170617330 JJQJTSDTRMGMNY-UHFFFAOYSA-N 325.336 3.501 0 50 EHAA Cc1ccccc1-n1nc(C(=O)OCc2ccoc2C)c2c1CCC2 170626573 QQZHHHLICUVFJJ-UHFFFAOYSA-N 336.391 3.928 0 50 EHAA O=c1oc2ccc(F)cc2n1Cc1csc(Cc2ccccc2)n1 670853500 AMRHRGBQKAVFKW-UHFFFAOYSA-N 340.379 3.829 0 50 EHAA CCCn1nc(C)c(NC(=O)c2[nH]c3ccc(OC)cc3c2C)c1C 1529189506 PHJIJIBGWFHXCL-UHFFFAOYSA-N 340.427 3.961 0 50 EHAA O=C(O)c1c(NCC2CCOCC2)noc1-c1ccc(Cl)cc1 1704325607 NQNYAOQBKFICEU-UHFFFAOYSA-N 336.775 3.532 0 50 EHAA CCCCc1nc2cc(C(=O)N(CC)CCn3cccn3)ccc2o1 11873953 MNJDARRHEREAAW-UHFFFAOYSA-N 340.427 3.529 0 50 EHAA COc1cccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1 12651451 IRCOSSFAQARMQP-UHFFFAOYSA-N 329.249 3.513 0 50 EHAA Fc1ccc(-n2nnnc2COc2ccc(Cl)cc2Cl)cc1 13653557 JXXBIACMWKZRCE-UHFFFAOYSA-N 339.157 3.687 0 50 EHAA COc1cccc2c1OC[C@@H](n1ccnc1-c1ccncc1Cl)C2 1857729938 JPYPFIKBLPRWDV-ZDUSSCGKSA-N 341.798 3.783 0 50 EHAA O=C(O)C[C@H](c1ccccc1)C1CCN(Cc2cscn2)CC1 901600245 STWQPIFRYFYQTF-QGZVFWFLSA-N 330.453 3.614 0 50 EHAA CC(C)N(Cc1ccc(F)cc1)C(=O)c1n[nH]c2c1C[C@H](C)O[C@@H]2C 1875290715 ZJDZDTHHMUIHBY-QWHCGFSZSA-N 345.418 3.622 0 50 EHAA C[C@H](O)c1ccc(-c2noc(-c3cnc([C@H]4CCCO4)s3)n2)s1 1875298560 FMRRNDZOHGGGMM-DTWKUNHWSA-N 349.437 3.826 0 50 EHAA Clc1cccc(OCCc2nnc([C@H]3CCCOC3)o2)c1Cl 886084624 QVINARFCHMLAAQ-JTQLQIEISA-N 343.210 3.892 0 50 EHAA CC(C)Cc1c[nH]c(C(=O)NC(C)(C)c2cc(C(F)F)on2)c1 1775986516 DIMRJYZHLNOGAR-UHFFFAOYSA-N 325.359 3.804 0 50 EHAA COc1ccc(-c2ccnc(N[C@@H]3CCOc4ccccc4C3)n2)cc1 2325839735 CPYDCRULJBLKNJ-QGZVFWFLSA-N 347.418 3.958 0 50 EHAA O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCCCC1)C1CCCCC1 70419 WKPHCRCYCCBBPA-QZTJIDSGSA-N 334.504 3.691 0 50 EHAA Cc1nc(N[C@@H](CC(C)C)C(=O)O)c2c3c(sc2n1)CCCC3 237038 AHUGUMBYIFEESI-LBPRGKRZSA-N 333.457 3.790 0 50 EHAA CCc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1 316474 SEDXCEKJQVAZJO-UHFFFAOYSA-N 328.437 3.559 0 50 EHAA CCOc1ccccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 464026 DSEWLKFBYFELDS-UHFFFAOYSA-N 348.855 3.794 0 50 EHAA O=S(=O)(NCc1ccccn1)c1ccc(C2CCCCC2)cc1 796228 QVVCGVKXFJXZHX-UHFFFAOYSA-N 330.453 3.608 0 50 EHAA CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(C(=O)O)c2)cc1 1164987 OJEGCQLBJSIRGZ-ZDUSSCGKSA-N 327.380 3.916 0 50 EHAA Cc1ccc(CCC(=O)N2CCC[C@]3(CCc4cnc(C)nc43)C2)cc1 2356144136 KOFJOGDDQDZWTF-QFIPXVFZSA-N 349.478 3.533 0 50 EHAA CSc1nc(-c2ccccc2)nc(NC(=O)C(C)C)c1C(C)=O 2493195 HOOYMSMHALVFTG-UHFFFAOYSA-N 329.425 3.663 0 50 EHAA CC[C@]1(O)C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC(C)C 3876054 TUNMGCULOKMBNJ-MDKPJZGXSA-N 347.499 3.810 0 50 EHAA COc1ccc(OC)c(NC(=O)c2ccc(CN3CCCC3)cc2)c1 10339002 KIOLUDQNRACIIZ-UHFFFAOYSA-N 340.423 3.552 0 50 EHAA Cc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 10544160 MXPSBESLRRQZJN-MRXNPFEDSA-N 331.437 3.576 0 50 EHAA Cc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cnn1 225540123 JRGNUNNFVPXKEE-UHFFFAOYSA-N 336.376 3.907 0 50 EHAA Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(-c4ncn[nH]4)c3)C2)cc1 225643504 OUEVHXYWEPVMQJ-KXBFYZLASA-N 346.434 3.798 0 50 EHAA COc1cccc(CNCc2cnc(-c3cccc(C)c3)nc2)c1OC 55357730 XBYYDSNJBZTXSA-UHFFFAOYSA-N 349.434 3.759 0 50 EHAA CN1[C@H]2CCC[C@H]1CC(NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 247010960 WGDIBTHPGNQNNG-FJIDUMEYSA-N 332.875 3.575 0 50 EHAA CNc1ncccc1CN(Cc1cccnc1)Cc1ccccc1OC 55368638 YLSZODXNUXWUAF-UHFFFAOYSA-N 348.450 3.729 0 50 EHAA Cc1[nH]c2ccc(CNC3CCN(Cc4cccnc4)CC3)cc2c1C 55168515 JWRXJEBHMVUAAP-UHFFFAOYSA-N 348.494 3.934 0 50 EHAA CCc1cnc(C)nc1-c1cccc(-c2ccn(C[C@H](O)CC)n2)c1 20204308 MIMFUCQQWWYABB-GOSISDBHSA-N 336.439 3.649 0 50 EHAA CC(C)N1C[C@@H](c2ncc(-c3ccccc3C(F)(F)F)[nH]2)CC1=O 23379827 MYMBJRCQKWPJKI-NSHDSACASA-N 337.345 3.820 0 50 EHAA COc1ccc(C(=O)N2CCSC[C@H]2c2ccc(OC)cc2)cc1 20733364 TUIBPMIEYANJRP-SFHVURJKSA-N 343.448 3.634 0 50 EHAA CC(C)[C@@H]1C[C@H](Cc2nc(-c3cc[nH]c4nccc3-4)no2)CCO1 351164164 ZUHXBKUXMNNUHY-DOMZBBRYSA-N 326.400 3.558 0 50 EHAA CC(C)(C)c1cc(C(F)(F)F)c2c(n1)sc1c(O)nc(=O)[nH]c12 65361829 XPXFFPUZAIQYFH-UHFFFAOYSA-N 343.330 3.555 0 50 EHAA CC1(C)CCc2cc(CN3C[C@@H]4CCC[C@H]4[C@H]3C(=N)O)ccc2O1 329953395 NFQZJRAYQOEHMJ-JZXOWHBKSA-N 328.456 3.926 0 50 EHAA CC(C)(C)c1ncc(C(=O)N2CCC(Cc3ccccn3)CC2)s1 171611802 BORORYCPKMGLTB-UHFFFAOYSA-N 343.496 3.931 0 50 EHAA C[C@@H](C(=O)NC(C)(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2776868 VOFXXCJIIRGHJJ-ZETCQYMHSA-N 337.773 3.908 0 50 EHAA COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccc(F)cc3F)C2)c1 77489636 KUZWSGKRFYOIFY-LBPRGKRZSA-N 347.361 3.612 0 50 EHAA CCN(C(=O)c1ccc[nH]1)[C@@H](c1cccnc1)c1ccc2c(c1)CCO2 253426129 ITEBGOWWDXGEGL-HXUWFJFHSA-N 347.418 3.596 0 50 EHAA O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCSc2ccncc21 355634622 YFPAAGVQWAMVMF-MRXNPFEDSA-N 340.448 3.728 0 50 EHAA O=C(NCc1ccn(C2CCCC2)n1)N1CCc2ccc(Cl)cc21 152267906 LJPDNNITYZTPHA-UHFFFAOYSA-N 344.846 3.924 0 50 EHAA O=C(Cc1ccc(CO)cc1)N1CCCC[C@H]1c1ccc(F)cc1 77421191 GAHNRUHCULZECC-IBGZPJMESA-N 327.399 3.614 0 50 EHAA Cn1ccnc1[C@@H]1CCCN(Cc2ccc3c(c2)CC(C)(C)O3)C1 215469685 QEWOFKPRIGHRIQ-MRXNPFEDSA-N 325.456 3.513 0 50 EHAA CCC[C@]12CCCN1C(=O)N(C1CC(c3ccccc3OC)C1)C2=O 369143336 LKPAWECOUQDSLG-NODKNVJMSA-N 342.439 3.538 0 50 EHAA C[C@H](Nc1nc(-c2cccnc2)nc2c1cnn2C)C1=CCCCC1 72447305 XJPGCNZUWJINDG-ZDUSSCGKSA-N 334.427 3.726 0 50 EHAA Cc1cc(C)n(CCCC(=O)N(C)Cc2csc(C(C)C)n2)n1 218916490 KVESZAJSIRJBFF-UHFFFAOYSA-N 334.489 3.519 0 50 EHAA CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1csc(CCC(C)C)n1 229561292 FUWMITCYSFAKQE-ZWKOTPCHSA-N 349.544 3.707 0 50 EHAA COCCC[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 82147761 QKJYWVGJOFIMTJ-ZDUSSCGKSA-N 327.371 3.567 0 50 EHAA Cc1c(CNC(=O)[C@H](c2cccnc2)N2CCCC2)oc2ccccc12 95498147 ZUKMNJWSOYGNHF-FQEVSTJZSA-N 349.434 3.590 0 50 EHAA CCOc1ccccc1OCCNCCCCOc1ccccc1 96027023 WCKDXAKZGWMFMH-UHFFFAOYSA-N 329.440 3.913 0 50 EHAA O=C1C[C@@H](c2ccco2)c2c(ccc(C(=O)c3ccccc3)c2O)O1 253402037 FZNZVYLCBYHDJO-AWEZNQCLSA-N 334.327 3.657 0 50 EHAA biogenic COC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253595900 KLFNSLGQRNVSJM-QVTLWMPQSA-N 346.467 3.566 0 50 EHAA Nc1cc(OC(F)(F)F)c(Br)cc1Br 263625115 WXFMYXSHIMFVSR-UHFFFAOYSA-N 334.917 3.692 0 50 EHAA CCCOc1c(Cl)cccc1NC(=O)N1CCC2(CCO2)CC1 299799338 QWLBHKOLAHGUIO-UHFFFAOYSA-N 338.835 3.916 0 50 EHAA O=C(Nc1cccc(Cn2cncn2)c1)c1cc(C(F)F)ccc1F 1351135825 UVATUCUOPFXYGY-UHFFFAOYSA-N 346.312 3.655 0 50 EHAA C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 269944522 UONVWHJJCQEHCB-ONGXEEELSA-N 335.753 3.734 0 50 EHAA COCCO[C@H]1CCN(C(=O)Nc2cc(Cl)c(C)cc2Cl)C1 186726525 CGMHGQGEYZKMLO-NSHDSACASA-N 347.242 3.571 0 50 EHAA CCN(C(C)=O)c1nc(CN2Cc3ccccc3C3(CC3)C2)cs1 186199900 NWIGZGUARXORET-UHFFFAOYSA-N 341.480 3.563 0 50 EHAA Cc1ncsc1C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C 187095892 GKYGUEAUKAJEML-HZMBPMFUSA-N 336.844 3.707 0 50 EHAA CC(=O)c1cc(Br)cc(F)c1OCc1c(C)noc1C 170594134 QQTACJJMIHZGKX-UHFFFAOYSA-N 342.164 3.975 0 50 EHAA C[C@H]1CCC[C@H](CC(=O)NCC2(N3CCSCC3)CCCC2)C1 170608315 RKPTXYMUJQEMHJ-IRXDYDNUSA-N 338.561 3.681 0 50 EHAA CCc1cccc(OCCCN(C)C[C@@H]2CCC(=O)N(C(C)C)C2)c1 1775983578 NQKOGAKGAXFWEQ-IBGZPJMESA-N 346.515 3.597 0 50 EHAA O=C(NC(C(=O)N1CCCCC1)=C1CCCCC1)c1ccccc1 5050061 DATSIIHBHUWRRS-UHFFFAOYSA-N 326.440 3.647 0 50 EHAA Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 12459333 WQSXJGDZHFODNQ-INIZCTEOSA-N 340.398 3.625 0 50 EHAA O=C(NC[C@H]1CCCNC1)OCC1c2ccccc2-c2ccccc21 12649492 WZHGXXJVKXQRNU-HNNXBMFYSA-N 336.435 3.525 0 50 EHAA CN(C)CC[C@@]1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 13491921 HIVBATDUVFEJFZ-IBGZPJMESA-N 329.827 3.900 0 50 EHAA in-vitro COc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O 15010559 MVBMLVAVCGJHCY-WJDWOHSUSA-N 325.389 3.932 0 50 EHAA CCCN1CCC(NC(=O)[C@H](C)Oc2ccccc2C(C)C)CC1 16604306 CVIDXSVKBVNXKP-INIZCTEOSA-N 332.488 3.568 0 50 EHAA CC(C)Cc1noc(-c2ccc(N(C)CCC3CCOCC3)nc2)n1 19853146 WBGXEUCSUBAORK-UHFFFAOYSA-N 344.459 3.583 0 50 EHAA C[C@@H]1CC[C@@H](NC(=O)NCc2cccc(N(C)C)n2)c2ccccc21 162678668 MKVUWAOPJVPRNF-RDTXWAMCSA-N 338.455 3.585 0 50 EHAA CC(C)(C)n1cc(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)nn1 344639505 YKHXTBUJWLQIFF-SNVBAGLBSA-N 338.864 3.555 0 50 EHAA O=C(c1cnn(C2CCC2)c1)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 827784842 WWQJLYZDQJONLS-CQSZACIVSA-N 349.438 3.504 0 50 EHAA O=C([C@H](NCc1cncc2ccccc12)c1ccccc1)N1CCCC1 1875257059 SIZZHOLFIKQXHW-OAQYLSRUSA-N 345.446 3.688 0 50 EHAA CC(C)c1oncc1NS(=O)(=O)c1cccc(C(C)(F)F)c1 1875280876 DRWAUMFGVLKMAP-UHFFFAOYSA-N 330.356 3.711 0 50 EHAA CC[C@H](c1nc(-c2cccc(C(C)(F)F)c2)no1)N1CCCC1=O 896458503 NKMIIHJBWOWKNE-CYBMUJFWSA-N 335.354 3.922 0 50 EHAA CC(C)[C@@]1(C(=O)O)C[C@@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 899785182 FIHWJMFLFXCTLY-APWZRJJASA-N 340.379 3.559 0 50 EHAA Cn1nc(CN2CC[C@@H](c3ccc(F)c(F)c3)C2)cc1-c1ccco1 2325856205 FUEXMSNTFJLXMR-CQSZACIVSA-N 343.377 3.948 0 50 EHAA Cc1cc(Br)ncc1CNCc1ccc2[nH]ccc2c1 2325856456 QEISIHOFQMVREE-UHFFFAOYSA-N 330.229 3.924 0 50 EHAA CC(=O)c1ccc(NC(=O)CCC(=O)Oc2ccc(C)cc2)cc1 142345 DNMRLGSEJIOMAX-UHFFFAOYSA-N 325.364 3.522 0 50 EHAA COc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc(OC)c1 318852 DWMHPIFIBGYLLV-UHFFFAOYSA-N 349.814 3.992 0 50 EHAA CCN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 319232 MVFYXVNNDVVESH-JOCHJYFZSA-N 345.398 3.667 0 50 EHAA O=C(Nc1ccccc1)c1ccccc1N1C(=O)c2ccccc2C1=O 368073 NGMSRBZQJRKFMB-UHFFFAOYSA-N 342.354 3.740 0 50 EHAA Cc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)s1 441565 SCGFPNJZFDXMSR-ZCFIWIBFSA-N 332.212 3.559 0 50 EHAA CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 468011 HZORRVZAOUYKOH-UHFFFAOYSA-N 337.206 3.995 0 50 EHAA CCOC(=O)c1ccc(COC(=O)c2ccc3ccccc3c2O)o1 529172 IYFCUPZEKHJJCR-UHFFFAOYSA-N 340.331 3.672 0 50 EHAA C[C@@H]1CCc2nc(NC(=O)COc3ccc(Cl)cc3)sc2C1 567844 TYQHZBNOXPJRLW-SNVBAGLBSA-N 336.844 3.939 0 50 EHAA O=C(CSc1nc2ccccc2[nH]1)Nc1nc2c(s1)CCCC2 1301792 FJBCNOLOEMIEQU-UHFFFAOYSA-N 344.465 3.629 0 50 EHAA Clc1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1 2169663 MENNODCZKYSQQN-UHFFFAOYSA-N 333.802 3.864 0 50 EHAA CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)O 2517124 UGZIQCCPEDCGGN-LLVKDONJSA-N 334.199 3.514 0 50 EHAA in-vitro CCCCc1ccccc1NC(=O)c1c(Br)cnn1C 2763970 HVRDZPLNDXUPOY-UHFFFAOYSA-N 336.233 3.778 0 50 EHAA O=C(CSc1ccc(F)cc1)Nc1ccc(Cl)c(C(=O)O)c1 4842719 CDSLCVMWQZRKRT-UHFFFAOYSA-N 339.775 3.908 0 50 EHAA O=C(Nc1ccc(-c2nnc(S)o2)cc1)c1ccccc1Cl 7002571 UPOCGELARMZZHE-UHFFFAOYSA-N 331.784 3.931 0 50 EHAA COc1cccc(CC[C@H]2CCCN(C(=O)c3ccc(OC)o3)C2)c1 12707059 DSCAPWCJJPXEJH-MRXNPFEDSA-N 343.423 3.782 0 50 EHAA CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 13327593 GRPRAWRQLPBPSN-UHFFFAOYSA-N 338.407 3.574 0 50 EHAA Cc1nc(NCc2c(F)ccc(F)c2F)sc1-c1ccn(C)n1 14988690 WJWNPOSOPQULDQ-UHFFFAOYSA-N 338.358 3.881 0 50 EHAA COc1ccc(OC)c2nc(N3CCCC3)c(CNCC(C)C)cc12 15072900 AQOQQJUQOPMCRJ-UHFFFAOYSA-N 343.471 3.598 0 50 EHAA COc1ccccc1-c1n[nH]c2c1CN(C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 19790846 JSYHVEIWFWCRKC-ARFHVFGLSA-N 335.451 3.656 0 50 EHAA OCC[C@H]1CN(CCCc2ccccc2)CCN1CC1CCCCC1 20202081 GXLREAWVTLVBTM-QFIPXVFZSA-N 344.543 3.568 0 50 EHAA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(C)s1 22108304 IREVKIOSUUKWCR-DHDCSXOGSA-N 326.377 3.561 0 50 EHAA O=C(OCc1ccccc1)N1CCC2(CC1)CNc1ccc(F)cc12 51943414 WDSMLORPPZVYNH-UHFFFAOYSA-N 340.398 3.922 0 50 EHAA Cc1ccc(-c2nnc(CN3CCCC[C@@H]3c3ccccn3)o2)n1C 72120940 WFWHTVBAIZWXIP-MRXNPFEDSA-N 337.427 3.506 0 50 EHAA CSc1ccc(CN2CCCN(Cc3cccnc3)CC2)cc1 72162659 XFMMOUPENMZVLL-UHFFFAOYSA-N 327.497 3.511 0 50 EHAA CC(C)c1nccc(-c2nccn2Cc2cnn(-c3ccccc3)c2)n1 72168403 HWYZPODLVDKBAX-UHFFFAOYSA-N 344.422 3.698 0 50 EHAA Cc1ccc2oc(C(=O)N3CC(N4CCCC[C@@H]4C)C3)c(C)c2c1 77377217 NIXRCKBFBOBEAB-AWEZNQCLSA-N 326.440 3.748 0 50 EHAA Cc1cc(N2CCN(C(=O)c3ccc4oc(C)cc4c3)CC2)cc(C)n1 77390256 XCWLXDQEVAIRDP-UHFFFAOYSA-N 349.434 3.715 0 50 EHAA CCN(Cc1cccc2c1oc1ccccc12)[C@H]1CCS(=O)(=O)C1 77424670 SHYKFMUBRLHEJB-HNNXBMFYSA-N 343.448 3.595 0 50 EHAA O=C(CCc1ccc(-c2cccs2)o1)N1CCC[C@]2(CCOC2)C1 91575409 YHNRPHJATHVOIH-IBGZPJMESA-N 345.464 3.970 0 50 EHAA CC(=O)c1cccc(-c2ccc(NC(=O)N(C)CCN(C)C)cc2)c1 96138451 MUSVPKNTLPLJAQ-UHFFFAOYSA-N 339.439 3.582 0 50 EHAA CCCC[C@H]1C=CCN1C(=O)Nc1ccc2c(c1)oc(=O)n2CC 97324010 ABPHFPWBVUQHPD-AWEZNQCLSA-N 329.400 3.577 0 50 EHAA CNc1cc(C(=O)N[C@@H](c2cccnc2)c2cc(C)ccc2C)ccn1 97634997 XFPZNPFCVVZXGZ-FQEVSTJZSA-N 346.434 3.655 0 50 EHAA O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1coc2ccccc12 113155528 XUTNGRCLZMJKPE-CQSZACIVSA-N 338.382 3.828 0 50 EHAA Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1Br 118783920 AJSSJSOFUNJLOX-UHFFFAOYSA-N 344.253 3.526 0 50 EHAA Cc1c([C@@H](C)NC[C@H](O)c2ccsc2)cnn1-c1ccc(F)cc1 154459112 NEFPEEXJAOESCB-XIKOKIGWSA-N 345.443 3.766 0 50 EHAA C[Si](C)(c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1 169818204 XIDWVHKAQRJJQM-UHFFFAOYSA-N 332.595 3.573 0 50 EHAA COC[C@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 179175270 ACFBAPNLYOHHQW-HNNXBMFYSA-N 341.304 3.962 0 50 EHAA FC(F)(F)c1ccc([C@@H]2CN(Cc3cncs3)CCO2)cc1 180775746 SIGKZSSILSSSCO-AWEZNQCLSA-N 328.359 3.735 0 50 EHAA O=C(c1cccc(-n2cccc2)c1)N1CCCCC[C@@H]1c1ncon1 184146825 WHIUIOOWEKEJPX-QGZVFWFLSA-N 336.395 3.618 0 50 EHAA O=C(NC[C@H](c1ccccc1)C1CCCC1)c1ccn(C(F)F)n1 219741471 GOJCFCCBTASXJR-OAHLLOKOSA-N 333.382 3.982 0 50 EHAA C[S@](=O)CCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 225395296 JZUIFAAMQHMWMD-FQEVSTJZSA-N 332.252 3.722 0 50 EHAA C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 229767193 JMGJKFSPPDAOHV-HNAYVOBHSA-N 333.435 3.733 0 50 EHAA CCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccc3c(ccn3CC)c1)C2 249688655 IIQMWCXNYMQNNB-LPHOPBHVSA-N 339.483 3.608 0 50 EHAA Cn1nc(-c2ccco2)cc1NC(=O)NCc1cccc(Cl)c1 252484431 FVVMOWAOGKFJJZ-UHFFFAOYSA-N 330.775 3.655 0 50 EHAA Cc1c(CN(C)CCC(=O)NCc2cccs2)[nH]c2ccccc12 252497604 QKRNPQNEVIHRSP-UHFFFAOYSA-N 341.480 3.676 0 50 EHAA Cc1nc2c(C(=O)N3CCC[C@H]3c3csc(C)n3)cccc2o1 253421634 ZPKVUECPGWHGRP-AWEZNQCLSA-N 327.409 3.878 0 50 EHAA CN1CCCN(C(=O)c2cccc([C@H]3CCOC3)c2)c2ccccc21 270630945 IOHYQPDTACQQHZ-SFHVURJKSA-N 336.435 3.677 0 50 EHAA CN(Cc1nccs1)[C@@H]1CC12CCN(Cc1ccc(F)cc1)CC2 275533246 DWSXLDOCIXIFMD-QGZVFWFLSA-N 345.487 3.769 0 50 EHAA Cc1ccc2c(c1)CN(Cc1c(C)nc3sccn13)C[C@H](C)O2 299766064 BIIJLRIZUKSXSN-ZDUSSCGKSA-N 327.453 3.796 0 50 EHAA CCc1ccc(-c2cc(C(=O)N3C[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3)[nH]n2)cc1 299803051 VNYKGQKEEXSXGW-USTZCAOPSA-N 335.451 3.757 0 50 EHAA O=C(Nc1cccc(CNc2ccc3nccnc3n2)c1)C1CCCC1 301103376 KWURXHQLHGKJTE-UHFFFAOYSA-N 347.422 3.766 0 50 EHAA CCC(CC)c1cc(CNC(=O)N2CCOC[C@H](C3CCC3)C2)on1 366223470 XYQSYZICIPSNIV-MRXNPFEDSA-N 349.475 3.536 0 50 EHAA COc1ccccc1CN(CC(C)C)c1cc([C@H]2CCOC2)ncn1 426526872 MVIQLEZJJOJCKL-KRWDZBQOSA-N 341.455 3.652 0 50 EHAA Cc1cnccc1C(=O)NCc1ccc(-n2cnc3ccccc32)cc1 471765481 BQZNFRHSBPWPHP-UHFFFAOYSA-N 342.402 3.659 0 50 EHAA C[C@H]1CCC[C@H](CNC(=O)NCc2cccc(-c3ccccn3)c2)O1 664501624 QKYOONZNJJLVCX-MAUKXSAKSA-N 339.439 3.505 0 50 EHAA C[C@@H](NC(=O)C1(N2CCCC2)CCCCC1)c1cc(F)cc(F)c1 826560509 RQKCDPPFUPDMID-CQSZACIVSA-N 336.426 3.941 0 50 EHAA Cn1ccc2c(-c3nc(-c4ccc(O)nc4)n(C(C)(C)C)n3)cccc21 828406960 FAEAGFNKMBJSAK-UHFFFAOYSA-N 347.422 3.959 0 50 EHAA O=C(O)c1csc(CN2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 872158060 ZDKSAZHLHNYPCM-QGZVFWFLSA-N 349.427 3.531 0 50 EHAA COC1(c2noc(C[C@@H](c3ccccc3)c3ncc[nH]3)n2)CCCC1 896183304 XLALBOKXNRUTLQ-HNNXBMFYSA-N 338.411 3.583 0 50 EHAA C[C@H](NCc1nccc2c1CCCC2)c1cnn(-c2ccccc2)c1 903185748 WNYGNHDLEMCBIS-INIZCTEOSA-N 332.451 3.997 0 50 EHAA CO[C@@H]1CCC[C@]12CCCN(Cc1cc3ccccc3nc1O)C2 1704299534 QLDLCBPQFPMWOL-UYAOXDASSA-N 326.440 3.722 0 50 EHAA CC(C)C[N@@]1C[C@@H]1COc1ccc2ncc(Br)cc2c1 1875381358 RTOBXEKIGRVXQZ-KUHUBIRLSA-N 335.245 3.716 0 50 EHAA COc1cccc([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[C@H]3CCCO3)C2(C)C)c1 1875392166 SLJQOVYGIAZGHF-AKHDSKFASA-N 343.467 3.605 0 50 EHAA O=C(N1C[C@@H]2CC[C@]2(C(F)(F)F)C1)[C@]1(c2ccccc2)CC1(F)F 1875395495 YZLADOPXZSFUIF-AEGPPILISA-N 345.311 3.764 0 50 EHAA Brc1ccc2c(CN3CC[C@H](c4ccon4)C3)c[nH]c2c1 2325788562 OVKVXQRKKHLWCE-NSHDSACASA-N 346.228 3.908 0 50 EHAA C[C@H](C(=O)N1CCCc2c(CN)cccc21)c1cn(C)c2ccccc12 2325795088 CXOUYVYVNOZJSK-HNNXBMFYSA-N 347.462 3.720 0 50 EHAA O[C@]1(c2ccccc2F)CCN([C@@H]2CCc3c(F)cc(F)cc32)C1 2325828026 WSDDWEDCVDHYST-RTBURBONSA-N 333.353 3.685 0 50 EHAA C[C@@H](c1ccsc1)N1CCN(c2cc(=N)[nH]c3ccccc23)CC1 2325856885 HGVMGVGTEUEWHM-AWEZNQCLSA-N 338.480 3.592 0 50 EHAA C[C@@H]1C[C@@H](C)CN(CCC(=O)Nc2ccc(Br)cc2)C1 257471 KYMDWKGHAZIHNA-CHWSQXEVSA-N 339.277 3.756 0 50 EHAA in-vitro CCOC(=O)Cc1nn(Cc2ccccc2)c(=S)c2ccccc12 439379 AHCWEVFJLPOLQB-UHFFFAOYSA-N 338.432 3.920 0 50 EHAA CCOc1ccc([C@H]2[C@H](C(=O)O)CCC(=O)N2C2CCCCC2)cc1 1394558 IGAXLNWFPCVKLI-MJGOQNOKSA-N 345.439 3.782 0 50 EHAA O=C(OCc1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 2863056 PZPCMSBNHMALAG-ZDUSSCGKSA-N 347.773 3.575 0 50 EHAA COc1cc(C(C)=O)ccc1OCCOc1cccc2cccnc12 4842663 QWQITDMPNFIBLY-UHFFFAOYSA-N 337.375 3.904 0 50 EHAA COc1ccc(C(=O)Nc2ccccc2N2CCCCC2)c(OC)c1 6701095 SVHGICOFMCUEHA-UHFFFAOYSA-N 340.423 3.946 0 50 EHAA O=C(CSc1ccccn1)Nc1nnc(C2CCCCC2)s1 6715123 XLLKHSYKDSOVBV-UHFFFAOYSA-N 334.470 3.712 0 50 EHAA CCOc1ccc2nc(NC(=O)c3c(CC)noc3C)sc2c1 9494191 URGDEEADRWAPEV-UHFFFAOYSA-N 331.397 3.806 0 50 EHAA O=C(CC1=CCCCC1)N[C@H]1CCCN(CCc2ccccc2)C1 11956285 FFWHCDRJURXMFX-FQEVSTJZSA-N 326.484 3.700 0 50 EHAA CC(C)n1c(SCC(=O)NC2CCCCCC2)nnc1C1CC1 13330488 AQPVUMXLZPATEN-UHFFFAOYSA-N 336.505 3.668 0 50 EHAA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)c2ccoc2)C1 14977046 LTHKNFTVTRNKJO-QGZVFWFLSA-N 335.407 3.909 0 50 EHAA Cc1ccc(Oc2ncccc2CNC2Cc3ccccc3C2)cn1 15064616 MCZOUMOANTXBFM-UHFFFAOYSA-N 331.419 3.834 0 50 EHAA c1ccc(CN2CCC(N3CCN(C4CCCCC4)CC3)CC2)cc1 19913690 TXLWUQIGUVELGC-UHFFFAOYSA-N 341.543 3.601 0 50 EHAA O=C(Nc1cccc(Cl)c1)N1CCN(Cc2cccc(F)c2)CC1 20437774 WKOIPIOADWNJMB-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2[nH]ncc2c1 20494079 RMUFKJFCWNIYPI-UHFFFAOYSA-N 336.178 3.887 0 50 EHAA CCCc1cc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)no1 35511391 ARCYOWXLYFMYSO-HNNXBMFYSA-N 343.383 3.725 0 50 EHAA CCOc1ccccc1CN(CC)Cc1ccc(S(C)(=O)=O)cc1 55281958 LHAIQEDBTCLKNC-UHFFFAOYSA-N 347.480 3.511 0 50 EHAA Cc1cccc(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)n1 65371896 YNPSOUYXCJTQEZ-OAQYLSRUSA-N 334.419 3.861 0 50 EHAA CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([C@@H]2CCCO2)s1 65408855 BPBGXLSIZXNVOY-AWEZNQCLSA-N 345.420 3.601 0 50 EHAA Cc1cc(N[C@@H](C)c2nc(CC(C)C)no2)nc(-c2cccnc2)n1 65526411 JQZKIQKHMYAZFU-ZDUSSCGKSA-N 338.415 3.602 0 50 EHAA CC(C)(C)NC(=O)CN1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 72137189 ROARYECCFRWSLV-HNNXBMFYSA-N 338.442 3.524 0 50 EHAA COc1coc(CN2CCC[C@@H](CCc3ccccc3C)C2)cc1=O 72163628 KSNASBLXUXOQLS-KRWDZBQOSA-N 341.451 3.802 0 50 EHAA Cc1cc(N2CCN(Cc3cccc(OC(F)F)c3)CC2)cc(C)n1 72440466 MQFGAFDYHCFSPD-UHFFFAOYSA-N 347.409 3.622 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c2ccc(C)c(C)c2n1 77376208 PODPFKYCFMPFAM-KRWDZBQOSA-N 348.450 3.661 0 50 EHAA CN(C)Cc1nc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cs1 82107589 DOIBNDSUXCUCCO-INIZCTEOSA-N 347.459 3.711 0 50 EHAA CCCc1cc(C(=O)N2CCC[C@@H](c3cccc(C)c3)C2)n(C)n1 82137722 SXZNBOZBJUYLTG-QGZVFWFLSA-N 325.456 3.701 0 50 EHAA CC(C)n1cnnc1CN(C)C(=O)c1ccc(Oc2ccccc2)o1 85533063 UWEWEBKVBMMDGM-UHFFFAOYSA-N 340.383 3.517 0 50 EHAA COCCC[C@]1(CO)CCCN(Cc2ccccc2C(F)(F)F)C1 91678910 UBNNXCKMYZHRJK-QGZVFWFLSA-N 345.405 3.707 0 50 EHAA CC[C@H](CNC(=O)Nc1cc(-c2ccccc2)ccc1OC)OC 96132072 SKVXKQNEQVRBSX-MRXNPFEDSA-N 328.412 3.909 0 50 EHAA Cc1cc(C(=O)N(Cc2ccccn2)Cc2ccc(C)s2)on1 97636490 KMZJTGLPFZXPBX-UHFFFAOYSA-N 327.409 3.591 0 50 EHAA O=C(C[C@@H]1CCOc2ccccc21)NCc1nc2ccccc2s1 117576283 UNSJPXSKUUZMIK-ZDUSSCGKSA-N 338.432 3.869 0 50 EHAA CC(C)(C)OC(=O)N1CCC(CN2CCc3ccccc3C2)CC1 163891804 SNNCPCFPJNCHFU-UHFFFAOYSA-N 330.472 3.692 0 50 EHAA CCO[C@@H]1C[C@@H](N[C@@H](C)C(=O)Nc2ccccc2)C12CCCCC2 170591962 JGAJRZVBPQLPCG-CGTJXYLNSA-N 330.472 3.731 0 50 EHAA O=C(COc1cccc(NCc2cccc3[nH]ccc23)c1)N1CCCC1 174591184 BZSVTJLBFMBSFB-UHFFFAOYSA-N 349.434 3.781 0 50 EHAA Cc1cccn(CC(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)c1=O 180807406 GMYDFSXHZSUJIF-CQSZACIVSA-N 344.842 3.562 0 50 EHAA CCN1CCCN(Cc2cnn(-c3ccc4ccccc4c3)c2)CC1 215568977 WVOOEJJIBXWCIF-UHFFFAOYSA-N 334.467 3.553 0 50 EHAA O=C(CCCc1c[nH]c2ccccc12)N1CC[C@@](O)(c2ccccc2)C1 219922396 ZVHJFRFOKMVCPP-QFIPXVFZSA-N 348.446 3.611 0 50 EHAA CCCN(C(=O)c1ccc(CN(CC)C(C)C)cc1)C1CCNCC1 236837573 SPEVGWCRQZUGEL-UHFFFAOYSA-N 345.531 3.521 0 50 EHAA Cc1sc([C@@H](C)NC(=O)CCCN)nc1-c1ccc(Cl)cc1 237556456 NYAWADFBQBMECJ-SNVBAGLBSA-N 337.876 3.688 0 50 EHAA CC[C@@H](NC(=O)c1ccnc(N2CCCC[C@H]2C)c1)c1ccncc1 241161293 JZRIDCKZOCGNDD-CRAIPNDOSA-N 338.455 3.737 0 50 EHAA O=C1[C@H]2[C@@H]3CCCC3=C3CCC[C@H]3[C@H]2C(=O)N1c1ccccc1F 245232674 ZYCOBXYJSKNSNP-DTDBQYNISA-N 325.383 3.842 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 257346552 QIVOTMOKECOCJC-QHBSWIKYSA-N 334.500 3.566 0 50 EHAA Cc1nc(C(=O)Nc2cccnc2Cl)nn1-c1cccc(Cl)c1 261490569 JOVBZHPIIFLZAR-UHFFFAOYSA-N 348.193 3.530 0 50 EHAA Cc1nn(C)c(C)c1NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 264724622 LSAWHNRRNKHGQP-UHFFFAOYSA-N 346.479 3.930 0 50 EHAA C[C@H](CC(=O)N1CCC[C@H]([C@@H](C)N)C1)c1ccccc1C(F)(F)F 269249267 FQULFCMFMSWKTK-MCIONIFRSA-N 342.405 3.785 0 50 EHAA CCc1noc(C)c1CN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 286070116 CVNCDOQUTPKOFZ-JKSUJKDBSA-N 346.431 3.507 0 50 EHAA CCc1nnc(CNCc2cc(Cl)ccc2OC(F)F)s1 289962518 YIJTWIFETPSFQD-UHFFFAOYSA-N 333.791 3.645 0 50 EHAA CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(C2CCCCC2)cc1 299768511 KXVXDQXBDWRDEM-ROUUACIJSA-N 332.444 3.660 0 50 EHAA Cc1scc(CCNC(=O)C2CCN(C3CCCC3)CC2)c1C 299791219 CDCADUGDBLWLQG-UHFFFAOYSA-N 334.529 3.678 0 50 EHAA O=C(c1cccnc1C(F)(F)F)N1CC[C@H](c2ccc(F)cc2)C1 328588627 LVEOAXHBMNEVSU-LBPRGKRZSA-N 338.304 3.869 0 50 EHAA C[C@H]1C[C@@H](C)C[C@H](c2noc(CCS(=O)(=O)C3CCCC3)n2)C1 328593767 GJELLVINDXKUMH-WDNDVIMCSA-N 340.489 3.509 0 50 EHAA FC(F)n1ccc(CNC[C@H]2CCCCN(Cc3ccccc3)C2)n1 353069274 FSASRGKTCKFQCG-QGZVFWFLSA-N 348.441 3.670 0 50 EHAA CC(C)C[C@@H](C(=O)N(C)C[C@@H]1CCCN2CCCC[C@H]12)n1cccc1 886024157 MFDNVVHRBFBNBY-ZCNNSNEGSA-N 345.531 3.798 0 50 EHAA Cc1cccc(C)c1CN(C)C(=O)NCc1ccc(C(C)(C)O)cc1 1335528138 URGDPLIDDRAXBV-UHFFFAOYSA-N 340.467 3.872 0 50 EHAA CO[C@H](C)c1nnc(NC(=O)c2cc3cc(C)ccc3nc2C)s1 1506398979 JAQQIIVTYKTMCP-LLVKDONJSA-N 342.424 3.663 0 50 EHAA O=C(Nc1ccc2n[nH]cc2c1)N[C@H]1CCO[C@@H](c2ccccc2)C1 1776002439 QAMVCCJGBMMPKN-FUHWJXTLSA-N 336.395 3.605 0 50 EHAA CC(C)S(=O)(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1 1776005251 FHACQHPUVCJPNC-UHFFFAOYSA-N 328.393 3.586 0 50 EHAA COc1ccc(C2(C(=O)N[C@H]3CCCCCC[C@@H]3O)CCCC2)cc1 1857681165 AXAOUZHFJQEAIL-OALUTQOASA-N 345.483 3.707 0 50 EHAA CCC[C@H](C)[C@H](C)NC(=O)c1nn(C(C)(C)C)cc1Br 1875307087 JXMHDQDKYZETIG-QWRGUYRKSA-N 344.297 3.955 0 50 EHAA O=C(NCCc1ccc2c(c1)COC2)c1ccc(-c2ccncc2)cc1 1875350030 YHCDKPFCDLZCFE-UHFFFAOYSA-N 344.414 3.751 0 50 EHAA CC1CCN(c2nc3nonc3nc2Nc2cccc(Cl)c2)CC1 67011 FDFURKLQZSNQHO-UHFFFAOYSA-N 344.806 3.646 0 50 EHAA CC(=O)n1cc(/C=C2\N=C(c3ccccc3)OC2=O)c2ccccc21 69766 SNVSWEBYYVWBGR-BOPFTXTBSA-N 330.343 3.646 0 50 EHAA CC[C@H](C)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 304442 QNZBKKZCSRIQLR-ZDUSSCGKSA-N 346.452 3.959 0 50 EHAA CC(=O)c1ccc(NC(=O)C(NC(=O)c2ccccc2)=C(C)C)cc1 340649 CLOSGINDYAPTTG-UHFFFAOYSA-N 336.391 3.552 0 50 EHAA CCN(CC)c1ccc(NC(=O)S(=O)(=O)c2ccc(C)cc2)cc1 443872 WZXFKPZKYABZKS-UHFFFAOYSA-N 346.452 3.847 0 50 EHAA COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1Cl 571910 YUISXHXSAZJGFE-UHFFFAOYSA-N 325.817 3.766 0 50 EHAA CC(C)(C)n1cc(C(=O)c2ccccc2OC(=O)c2ccco2)cn1 1395276 PLYLTOCWROZZMN-UHFFFAOYSA-N 338.363 3.681 0 50 EHAA COc1ccccc1OCCCn1c([C@H](C)O)nc2ccccc21 1926789 NSFQKILORBKJOY-AWEZNQCLSA-N 326.396 3.567 0 50 EHAA CCOc1ccc2nc(NS(=O)(=O)Cc3ccccc3)sc2c1 2851837 ICAYLWPSUVTAEL-UHFFFAOYSA-N 348.449 3.637 0 50 EHAA CC(C)(C)c1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1 2995280 AMWLWLVDKVXLFK-UHFFFAOYSA-N 329.415 3.861 0 50 EHAA O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 4523505 XMJBBSPXYYWVOW-ZJUUUORDSA-N 347.720 3.964 0 50 EHAA COc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 4965051 JADJKSNEHAEYAM-UHFFFAOYSA-N 345.439 3.867 0 50 EHAA O=C(NCCc1ccccc1)C1CCN(CC2CCCCC2)CC1 5872178 AXIWPYYJEBEDGX-UHFFFAOYSA-N 328.500 3.638 0 50 EHAA Cc1ccc2occ(CN3Cc4ccccc4O[C@H](C)C3)c(=O)c2c1 11999722 BDFGDTYUOAPMPK-OAHLLOKOSA-N 335.403 3.885 0 50 EHAA CCCCc1nc2cc(C(=O)N3CCCC[C@H]3COC)ccc2o1 12718995 BPRFDGYOZIQGGM-HNNXBMFYSA-N 330.428 3.812 0 50 EHAA COc1ccc2c(c1)c(/C=C/c1nc3ccccc3c(=O)[nH]1)c(C)n2C 13552878 ASODXVJKFUNORO-PKNBQFBNSA-N 345.402 3.902 0 50 EHAA biogenic CSc1ccccc1C(=O)N1CCO[C@@H](CCc2ccccc2)C1 15063752 SJSBCZIIBWEIFA-KRWDZBQOSA-N 341.476 3.882 0 50 EHAA C1CCCCCC2(CCCCC1)OC[C@@H](CN1CCOCC1)O2 19868003 AXTKPHAKXVXLKW-GOSISDBHSA-N 325.493 3.735 0 50 EHAA Cc1nc(-c2ccncc2)ncc1[C@H](C)NCc1nc2ccccc2[nH]1 20785211 ZTVBCGWICQGHOM-ZDUSSCGKSA-N 344.422 3.574 0 50 EHAA O=c1c2nnc3c(-c4ccccc4)cnn3c2ccn1C1CCCCC1 40388194 JRCLXWDYOGGFJS-UHFFFAOYSA-N 345.406 3.611 0 50 EHAA CC(C)(C)c1cn(C2CCN(C(=O)CC3=CCCCC3)CC2)nn1 48179621 QWTVTQLBAXNHEJ-UHFFFAOYSA-N 330.476 3.630 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)N(Cc1ccco1)[C@H](C)C(C)C 55254030 GYKWVQHTKBPVJV-OAHLLOKOSA-N 331.460 3.636 0 50 EHAA Cc1cc2ccccc2n1CCC(=O)NCc1snnc1C(C)C 55283787 MABUCOHYFHYTIT-UHFFFAOYSA-N 342.468 3.631 0 50 EHAA FCCn1cnc(-c2ccccc2)c1-c1ccc(-n2cncn2)cc1 65397334 PUPORUKYMIJTBX-UHFFFAOYSA-N 333.370 3.767 0 50 EHAA Cc1ccc2c(c1)[C@H](Cc1nc(C3CC3)nn1-c1ccccc1)C(=O)N2 65417600 NDVVNOCPIJQJFQ-KRWDZBQOSA-N 344.418 3.732 0 50 EHAA Cc1ccccc1-c1cc(O)c2c(c1)CN(CCc1cn[nH]c1)CCO2 67514003 PCCDKLPGDWVWMS-UHFFFAOYSA-N 349.434 3.528 0 50 EHAA COc1cc(CN2CCC[C@H](COc3ccc(F)cc3)C2)ccc1O 72152998 GACWKHPVVFQUIJ-INIZCTEOSA-N 345.414 3.831 0 50 EHAA COc1cnc(CN2CCC[C@@H](CCc3ccccc3F)C2)cc1O 72165586 FGQRADUSWQMHNK-HNNXBMFYSA-N 344.430 3.780 0 50 EHAA CCN(C(=O)c1cccc(CCC(C)(C)O)c1)[C@@H]1CCOC(C)(C)C1 72409414 LDGFYIKCEVRZNF-GOSISDBHSA-N 347.499 3.810 0 50 EHAA COCC[C@]1(O)CCN(Cc2cccc(-c3ccco3)c2)C[C@H]1C 91872219 NSIXVXQLSIZJOB-OXQOHEQNSA-N 329.440 3.556 0 50 EHAA COc1ccc(C(=O)N2CCC(c3nccn3C(C)C)CC2)cc1C 95520013 LJGQLWBZWFUKJX-UHFFFAOYSA-N 341.455 3.801 0 50 EHAA CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1cscn1 96163303 XNTZVFLLMUPQLY-LJQANCHMSA-N 339.464 3.949 0 50 EHAA Brc1cnc(N[C@@H](c2ccccc2)c2nccs2)nc1 109129419 PGLXTRFZTRMMAB-LBPRGKRZSA-N 347.241 3.897 0 50 EHAA O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@@H]1c1ncc[nH]1 120125020 NHRQUXDGKCYNJC-OAHLLOKOSA-N 328.803 3.912 0 50 EHAA CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc2ccccc2n1 124480539 YMOZQZRNJWPJKY-UHFFFAOYSA-N 347.462 3.959 0 50 EHAA O=C(N[C@@H]1CCCc2occc21)c1cccc(Oc2cnccn2)c1 134752912 AWBLHLVGIIGMKY-MRXNPFEDSA-N 335.363 3.669 0 50 EHAA COc1ccc([C@H]2CCN(c3nnc(-c4ccccn4)s3)C2)cc1 185571339 WTALCENJLOIXED-AWEZNQCLSA-N 338.436 3.603 0 50 EHAA O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@@H]1CCc1ccccc1 194461989 NIZVIEJOSZPQJN-LJQANCHMSA-N 349.478 3.919 0 50 EHAA Cc1cc(C(=O)N2CCC3(CCO3)CC2)c2cc(Cl)ccc2n1 215726003 IHAVMAQYYKOAFE-UHFFFAOYSA-N 330.815 3.592 0 50 EHAA CCn1nc(C)c([C@@H](C)NC(=O)c2ccccc2OC(F)F)c1C 223359271 BAQJKIVDEZBHSV-SNVBAGLBSA-N 337.370 3.612 0 50 EHAA O=C(c1ccccc1)N1CC[C@H](CN2CCCc3ccccc3C2)C1 225770491 LZPUVCVYPYOPEU-GOSISDBHSA-N 334.463 3.597 0 50 EHAA CC(C)c1nc(CCNC(=O)C2(c3ccc(Cl)cc3)CCC2)no1 244594233 DIVPIDJWHLVOOZ-UHFFFAOYSA-N 347.846 3.627 0 50 EHAA CC(C)c1nnc(N2C[C@H]3CC[C@@H](C2)N(Cc2ccccc2)C3)s1 248195500 PFEREIQECJMZTF-IRXDYDNUSA-N 342.512 3.762 0 50 EHAA Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(C(=O)O)cc2F)n1 262476264 XIIOTDLBWGMPHF-AWEZNQCLSA-N 348.399 3.656 0 50 EHAA O=C(Nc1nc(C2CCC2)cs1)c1ccncc1Br 277510333 FRKQULSALYRVPB-UHFFFAOYSA-N 338.230 3.820 0 50 EHAA O=C(C[C@H](Cc1ccccc1)c1ccco1)NC1(C(=O)O)CCCC1 299800071 ZPRYBRDVFUHLDW-INIZCTEOSA-N 341.407 3.510 0 50 EHAA Cc1ncsc1CN(Cc1cccc(Cl)c1)C[C@@H]1CCNC1 328635288 NGDQDHSTASHMCI-OAHLLOKOSA-N 335.904 3.717 0 50 EHAA Cc1ncc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)[nH]1 331513865 JJHAWRYJGKPJPR-UONOGXRCSA-N 337.345 3.803 0 50 EHAA C[C@H](Nc1ccc(COCCO)cc1)c1ccc(OC(F)F)cc1 424123814 LMJDOAAJQQELNA-ZDUSSCGKSA-N 337.366 3.970 0 50 EHAA Cc1noc([C@H](C)NC(=O)N(Cc2ccsc2)C2CCCC2)n1 584892085 MBFAHOUJRUBTMF-NSHDSACASA-N 334.445 3.655 0 50 EHAA Cc1cc(F)ccc1[C@@H]1CCCN1c1ccc2nnc(C3CC3)n2n1 649541470 PRNMUEWKOVLVJC-INIZCTEOSA-N 337.402 3.791 0 50 EHAA CN(CCC1(O)CCCC1)C(=O)C[C@@H](c1ccccc1)c1ccco1 823625647 OJSYKEGZIUMERQ-SFHVURJKSA-N 341.451 3.955 0 50 EHAA O=C(NCc1ccsc1)[C@H](c1ccc(F)cc1)N1CCCCC1 827647586 PDBYCPGAEWTPRI-KRWDZBQOSA-N 332.444 3.731 0 50 EHAA C[C@@H]1CC=CC[C@H]1NC(=O)NCC1(c2ccc(F)cc2)CCOCC1 892269083 KIHVFPDJQSYTSX-CRAIPNDOSA-N 346.446 3.528 0 50 EHAA O=C(C[C@@H](Cc1ccccc1)c1ccco1)NCc1ccc(CO)cc1 952992317 ZOTJCNVSRRYPMS-HXUWFJFHSA-N 349.430 3.805 0 50 EHAA COc1cc(CNC(=O)c2ccc(Cl)c3occc23)ccc1O 1294908441 WVEJEBCPZIMQTK-UHFFFAOYSA-N 331.755 3.730 0 50 EHAA Cc1c(CNC(=O)Nc2nn(C)c3ccccc23)oc2ccccc12 1467514361 MMYWIFFALFOGJQ-UHFFFAOYSA-N 334.379 3.950 0 50 EHAA CC(C)=CCN1CCC[C@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857720257 LKOAKNTUTXNLTK-FQEVSTJZSA-N 329.488 3.726 0 50 EHAA Cc1nc(CSC[C@H]2COc3ccc(Br)cc32)no1 1875282127 OHYMKZGADBDLTP-SECBINFHSA-N 341.230 3.550 0 50 EHAA NCc1ccccc1-c1ccc(C(=O)NCCC[C@H]2CC2(F)F)cc1 1875328306 KMVRBDRQXZCTMA-KRWDZBQOSA-N 344.405 3.978 0 50 EHAA C[C@H]1CCC[C@@H](C)N1CCN=c1[nH]c2c(s1)Cc1ccccc1-2 1875338713 IRSLKUQACDFHHK-OKILXGFUSA-N 327.497 3.811 0 50 EHAA CCc1cc2c(c(C(=O)N3CC(Cc4ccccc4C)C3)c1)OCC2 1875362757 RIACODOAXPKBRM-UHFFFAOYSA-N 335.447 3.807 0 50 EHAA Cc1ccc(N[C@@H](C)C2=Cc3ccccc3OC2)cc1N1CCNC1=O 2325773788 FELCRERFQNPPTL-HNNXBMFYSA-N 349.434 3.801 0 50 EHAA Cc1nc(CN2CCSc3c([nH]c4ccccc34)C2)n(C)c1C 2325788571 PEERJGKWGJBEDZ-UHFFFAOYSA-N 326.469 3.626 0 50 EHAA COc1cncc(COC(=O)c2coc3c(F)c(Cl)ccc23)c1 2325854925 AGLITZKNFFSIST-UHFFFAOYSA-N 335.718 3.986 0 50 EHAA O=C(NC(=S)NCc1ccccc1)c1ccc(Cl)cc1Cl 67502 RRZRXEZKUZWGAM-UHFFFAOYSA-N 339.247 3.798 0 50 EHAA CCN(CC)c1ccc(NC(=O)c2cncc(Br)c2)cc1 121140 KSIALZPYXZNNJA-UHFFFAOYSA-N 348.244 3.943 0 50 EHAA CC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 245311 HQSJBOHSTDPZFU-UHFFFAOYSA-N 334.158 3.997 0 50 EHAA S=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCOCC1 302655 GQAZHOXNRGTPPT-UHFFFAOYSA-N 347.867 3.927 0 50 EHAA COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F 479917 YVVFCMBRTOJFTA-UHFFFAOYSA-N 345.342 3.823 0 50 EHAA O=C(NCc1ccco1)c1ccc(-c2cc3ccccc3oc2=O)cc1 539657 ZNNUCOOATVROKC-UHFFFAOYSA-N 345.354 3.983 0 50 EHAA CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 612819 CQVCZJWMQNCECB-GOSISDBHSA-N 326.371 3.922 0 50 EHAA O[C@@H]1C[C@@H]2CCC[C@H](C1)N2Cc1c[nH]nc1-c1ccc(Cl)cc1 2356151944 IJAOUCZKIZWQKN-FVQHAEBGSA-N 331.847 3.608 0 50 EHAA CC[C@H](C)N(Cc1ccsc1)C(=O)c1ccc2c(c1)OCC(=O)N2 55182833 XKMHYUVJFVBDJB-LBPRGKRZSA-N 344.436 3.520 0 50 EHAA CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3ccn[nH]3)C2)c(F)c1 114905247 CGAOQYPIBNFDPL-ZDUSSCGKSA-N 346.406 3.748 0 50 EHAA Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N(C)C)cc1 21807459 ITXLAIJUOONEEH-IBGZPJMESA-N 349.434 3.683 0 50 EHAA CC[C@@]1(C)Oc2ccc(NC(=O)[C@H](C)c3c(C)n[nH]c3C)cc2O1 135271155 IWBSGQIXZKBLOQ-MGNBDDOMSA-N 329.400 3.666 0 50 EHAA CC(=O)N(C)c1ccc2c(c1)NC(=O)C[C@H]2c1cc(C)ccc1F 65421220 KJBALTGQHVRXRY-OAHLLOKOSA-N 326.371 3.591 0 50 EHAA COCCN(Cc1ccc(C)o1)C(=O)N[C@H]1CCCc2sccc21 136544992 BKLGSNQLRHKEID-INIZCTEOSA-N 348.468 3.885 0 50 EHAA CCCc1nnc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[nH]1 250222055 XUXFSVZTRMBUCC-HZSPNIEDSA-N 339.505 3.853 0 50 EHAA O=C(NCCCOC1CCCCC1)c1ccc2nc(S)oc2c1 118760877 AAOGDPVQTCEUST-UHFFFAOYSA-N 334.441 3.586 0 50 EHAA C[C@H](C(=O)NCc1ccc(O)c(Br)c1)c1cccs1 151525476 UWDCSUPMALTBPN-VIFPVBQESA-N 340.242 3.636 0 50 EHAA CO[C@H](c1ccc(F)cc1)c1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1 252551882 UJFADMNCVWDAQU-NFFDBFGFSA-N 333.407 3.878 0 50 EHAA O=C(Nc1nnc(C(F)F)s1)N[C@H]1CCCc2sccc21 122935772 LFFQSRZOJTZBGO-ZETCQYMHSA-N 330.385 3.736 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)Nc1cccc(OC)c1 6571425 ORQOQBZQOVCEAG-UHFFFAOYSA-N 336.438 3.661 0 50 EHAA Cc1ccnc(C2CCN(C(=O)c3c(C)oc4ccccc34)CC2)n1 364310163 VFRDYGIKZCGXRZ-UHFFFAOYSA-N 335.407 3.859 0 50 EHAA O=C(Cc1ccccc1O)N1CCC[C@H](CCc2ccc(F)cc2)C1 71746656 KZWULASKNKJNDR-QGZVFWFLSA-N 341.426 3.945 0 50 EHAA CC(C)c1nccc(CN(C)[C@@H](C)c2ccc3c(c2)OCCO3)n1 215732062 PVUCVQBCOWRHIF-AWEZNQCLSA-N 327.428 3.564 0 50 EHAA O=C(Nc1ccsc1Cl)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 376147729 IIWOAOZMBUJMKA-DGCLKSJQSA-N 340.807 3.880 0 50 EHAA O=C(COc1ccc(F)cc1F)Nc1cccc(CN2CCCC2)c1 78584424 HBHJNSRGGSPAEW-UHFFFAOYSA-N 346.377 3.578 0 50 EHAA CSc1cccc(F)c1C(=O)NCCc1nc2c(C)cccc2o1 241634613 PNTVZHMXCLLIQS-UHFFFAOYSA-N 344.411 3.970 0 50 EHAA Cc1ccsc1C(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 77300014 GTXNZTXNEWJPLQ-QGZVFWFLSA-N 329.465 3.512 0 50 EHAA CN(Cc1cccc2cnccc12)C(=O)[C@H]1CCc2ccccc2C1 77487021 NNTSITMTVNYDOP-SFHVURJKSA-N 330.431 3.998 0 50 EHAA Cc1cccc2[nH]c(C3CCN(Cc4ccc(CCN)cc4)CC3)nc12 72119513 XPGAVAZJLWCCPL-UHFFFAOYSA-N 348.494 3.752 0 50 EHAA CN(C)Cc1nc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cs1 82107588 DOIBNDSUXCUCCO-MRXNPFEDSA-N 347.459 3.711 0 50 EHAA Cn1ccnc1[C@@H]1CCCN(C(=O)CSc2ccc(Cl)cc2)C1 82126203 PKOARSCJDCJFSP-CYBMUJFWSA-N 349.887 3.572 0 50 EHAA Cc1oc2ccccc2c1CNC[C@@H]1CC(=O)N(Cc2ccccc2)C1 179058468 OKRDNHSOSIZSOP-SFHVURJKSA-N 348.446 3.880 0 50 EHAA COc1cccc([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)c1OC 49550592 IKMXTLJZPJPTNA-GFCCVEGCSA-N 329.400 3.779 0 50 EHAA O=C(c1cnn(-c2ccccc2)c1)c1ccc(Br)cc1O 328578968 CFZQYZPIOFGCPU-UHFFFAOYSA-N 343.180 3.571 0 50 EHAA Cc1cc(C)n(CCc2nc(-c3ccc4c(c3)OCCO4)cs2)n1 20605994 NIVAMLKXVNNJOL-UHFFFAOYSA-N 341.436 3.637 0 50 EHAA CC(C)[C@@H](C)NC(=O)N(Cc1ccncc1)Cc1ccc(F)cc1 426445185 XMSZLPPZFMLINV-OAHLLOKOSA-N 329.419 3.977 0 50 EHAA O=C(c1ccccc1Cl)N1CCC[C@H](c2nccn2CC2CC2)C1 95508321 IICMGJBNOJQNMB-HNNXBMFYSA-N 343.858 3.966 0 50 EHAA Cc1cccn2c(CC(=O)N3CCCCC[C@@H]3c3ccco3)cnc12 91625346 NXRNUZGNFVDTBD-QGZVFWFLSA-N 337.423 3.922 0 50 EHAA c1ccc(C[C@H]2CN(Cc3csc(-c4ccoc4)n3)CCO2)cc1 181563309 YWWBNHIKUNNZLR-SFHVURJKSA-N 340.448 3.847 0 50 EHAA Cc1nn2c(-n3ccnc3C)c3c(nc2c1-c1ccccc1)CCC3 95404885 CECYGZSDOZSVJK-UHFFFAOYSA-N 329.407 3.688 0 50 EHAA c1ccc([C@@H]2C[C@H](c3noc(C4CCOCC4)n3)[C@H]3CCCN23)cc1 299759478 SIHKASCXPPHCOJ-KSZLIROESA-N 339.439 3.657 0 50 EHAA CCN(C)C[C@@H](C)CNC(=O)c1cccc(-c2ccccc2F)c1 299785331 XTUNGZRRJOVDCW-HNNXBMFYSA-N 328.431 3.810 0 50 EHAA CCCSc1ccccc1NC(=O)NCc1cn2c(n1)SCC2 299765165 JNWZNERWTHGZFN-UHFFFAOYSA-N 348.497 3.813 0 50 EHAA Cc1nc(C)c(-c2cccc(C(=O)N(Cc3ccccn3)C3CC3)c2)[nH]1 584895346 QXTHHABYIMCIGS-UHFFFAOYSA-N 346.434 3.893 0 50 EHAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H](C)n1cc(Cl)cn1 1875253708 CYSGRZXDKLBISJ-RISCZKNCSA-N 335.835 3.829 0 50 EHAA CC(C)C[C@@H]1CC[C@@H](NC(=O)NCCc2nn(C)c3ccccc23)C1 1875354893 SFBCEISMZXXHSW-JKSUJKDBSA-N 342.487 3.630 0 50 EHAA O=C(NCCCSc1ccccc1)c1ccc(CN2CCCC2)o1 952980292 GERXAEUVZFUSEV-UHFFFAOYSA-N 344.480 3.788 0 50 EHAA Cc1c[nH]c2ccc(NC(=O)C[C@H](n3cccn3)C(F)(F)F)cc12 1775984771 NYGBFHJFOANHRD-AWEZNQCLSA-N 336.317 3.805 0 50 EHAA O=C(NCc1cccnc1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 275143351 QNQFKUARBNZYOI-ZCNNSNEGSA-N 335.451 3.949 0 50 EHAA Cc1cc2nccc(NC(=O)N[C@@H](C)c3c(F)cccc3Cl)n2n1 1477102238 MOQXSRZOHJKYMT-JTQLQIEISA-N 347.781 3.713 0 50 EHAA COCc1ccc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)o1 679582610 HVCRXQWXTPUCPE-SFHVURJKSA-N 329.444 3.905 0 50 EHAA CN(Cc1cccnc1)C[C@H]1CCN(Cc2cc3ccccc3o2)C1 190490887 HXAXNFOBONMIMR-GOSISDBHSA-N 335.451 3.782 0 50 EHAA CC(C)COc1ncccc1C(=O)N(c1ccccc1)[C@H]1CCOC1 192072997 WOTQSMPGZGERKA-KRWDZBQOSA-N 340.423 3.552 0 50 EHAA Cc1c(Cl)cccc1NC(=O)C[C@@H]1CNc2ccccc2NC1=O 1848442959 PXCSGJDANQDKQL-GFCCVEGCSA-N 343.814 3.657 0 50 EHAA CC(=O)c1ccc(OC[C@H](O)CN(Cc2ccccc2)C(C)C)cc1 5498149 AMABLECQHVLNJT-HXUWFJFHSA-N 341.451 3.540 0 50 EHAA O=C1N(CC2CCCCC2)CCC[C@]12CCN(Cc1ccco1)C2 12057697 ZKFVMTFCQUTPTQ-HXUWFJFHSA-N 330.472 3.674 0 50 EHAA Cc1ccccc1[C@H](CC(=O)N1CCC(CO)CC1)c1ccccc1 12746591 BKLQJUJOMVLKTO-OAQYLSRUSA-N 337.463 3.748 0 50 EHAA CCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C)s1 16622842 WMKBEEBZKLVVEH-UHFFFAOYSA-N 344.461 3.532 0 50 EHAA COc1ccc(/C=C2/SC(=O)N(CN3CCCCCC3)C2=O)cc1 19799618 UFESWHGAFUPYSI-FOWTUZBSSA-N 346.452 3.565 0 50 EHAA Cc1csc(CNC(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)n1 118566598 XCMISRRASVPSPM-LBPRGKRZSA-N 347.337 3.693 0 50 EHAA COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2cnn(C)c2)cc1 328587359 GYEVTQQTCIMXTA-HNNXBMFYSA-N 349.434 3.929 0 50 EHAA Cc1nc(C)c(C(=O)N(c2ccc(Br)cn2)C(C)C)o1 331132150 QNJYOWGCVYOEHA-UHFFFAOYSA-N 338.205 3.504 0 50 EHAA Cc1csc(-c2ccc(C(=O)N(CCN(C)C)C(C)C)cc2)n1 151810777 VFLGEHNKJWTKEQ-UHFFFAOYSA-N 331.485 3.531 0 50 EHAA COc1ccc(Cc2noc(C[C@@H]3CNc4ccccc43)n2)c(F)c1 904691515 XDAZBDOPVOSVMZ-CYBMUJFWSA-N 339.370 3.560 0 50 EHAA CCNCC1CCN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)CC1 911863858 JXNQDIXFQZYJTO-UHFFFAOYSA-N 341.499 3.927 0 50 EHAA CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccccc2F)NC(=O)N1 68659 ODLFWQIOLROIGB-QGZVFWFLSA-N 346.402 3.577 0 50 EHAA CCC[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3F)c2)C1 2325706631 QBHUXBMMYHUOFZ-ZDUSSCGKSA-N 333.382 3.803 0 50 EHAA CC[C@@H](NC[C@@H](CO)Cc1ccccc1C)C1Cc2ccccc2C1 2325842025 MPNBFUKSELPWMW-FDDCHVKYSA-N 337.507 3.929 0 50 EHAA C[C@@H](NCc1ccc2nsnc2c1)c1ccn(-c2ccccc2)n1 2325856440 PSONOUOEFICGEV-CYBMUJFWSA-N 335.436 3.728 0 50 EHAA Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)O)cc2)c1 87986 XOSYEAWJNJBWIF-UHFFFAOYSA-N 327.380 3.834 0 50 EHAA biogenic COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCC2 118496 YIWXSMMMFJXEGS-UHFFFAOYSA-N 335.812 3.929 0 50 EHAA COC(=O)c1ccc(OC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 148546 KYXAZALJZJCLNL-UHFFFAOYSA-N 348.782 3.728 0 50 EHAA Ic1cccc(Nc2ncnc3ccccc23)c1 151214 LCUWAJDEGKZDMI-UHFFFAOYSA-N 347.159 3.978 0 50 EHAA O=C(COC(=O)c1ccccc1F)c1ccc(Br)cc1 193129 IHLBMPXALSKGPK-UHFFFAOYSA-N 337.144 3.628 0 50 EHAA CC(C)Cc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 212567 SZBDPMQSRMLVQP-UHFFFAOYSA-N 329.465 3.632 0 50 EHAA CCOC(=O)c1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1 227852 HAHYXGAUOKBGHD-UHFFFAOYSA-N 341.407 3.806 0 50 EHAA S=C(NC1CCCCC1)N1CCN(c2cccc(Cl)c2)CC1 302326 QICRCKIOVQPMJI-UHFFFAOYSA-N 337.920 3.669 0 50 EHAA COc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 358981 DIWMXHFVDDGUQX-UUASQNMZSA-N 349.720 3.971 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)CSCc1ccccc1 443527 NIKZJNVEKZAUMB-UHFFFAOYSA-N 329.421 3.735 0 50 EHAA CC1(C)CC(=O)c2cnc(NC(=O)c3ccccc3Cl)nc2C1 534793 RVAYVKHLXLFVLV-UHFFFAOYSA-N 329.787 3.537 0 50 EHAA Cc1ccc(C)c(OCCCC(=O)Nc2ccc3c(c2)OCO3)c1 1779313 DKNHOJVCWQAPPM-UHFFFAOYSA-N 327.380 3.830 0 50 EHAA CCCOc1cccc(C(=O)Nc2sc(C)cc2C(=O)OC)c1 2751557 YWZKJNLCALAVPK-UHFFFAOYSA-N 333.409 3.884 0 50 EHAA O=C(NCCSc1ccccn1)c1ccc(Cl)cc1Cl 2985797 XRYNGYFVBDYCOA-UHFFFAOYSA-N 327.236 3.911 0 50 EHAA CCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2Cl)c2ccccc21 4784394 DAECDEKXNOVKNY-LJQANCHMSA-N 343.810 3.557 0 50 EHAA CCC(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)c(OC)c1 4888940 IHAJMOQCLRFRAN-UHFFFAOYSA-N 345.439 3.673 0 50 EHAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)N1CCCC1 6145351 RRFPZUWVKHTUAY-UHFFFAOYSA-N 346.477 3.994 0 50 EHAA Cc1ccc(CN/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 6300046 FIGUFHQJGHTYTP-WJDWOHSUSA-N 326.783 3.583 0 50 EHAA CCOc1ccccc1C(=O)NCCc1c[nH]c2ccc(OC)cc12 10146624 APCPLKMBYVVNDM-UHFFFAOYSA-N 338.407 3.548 0 50 EHAA Cc1nc2sccn2c1CN1CCC[C@H](Nc2ccc(F)cc2)C1 11819574 JTURJHJNPZBHPM-INIZCTEOSA-N 344.459 3.920 0 50 EHAA C/C=C(\C)CN1CC[C@@]2(CCCN(Cc3cccc(F)c3F)C2=O)C1 12195333 AUHZWIZHOOCUEG-IAILITGJSA-N 348.437 3.746 0 50 EHAA CCc1ccc([C@H]2C[C@@H](c3ccccc3C)n3nc(N)nc3N2)cc1 13131859 HCKGLSSUSCFFTE-MSOLQXFVSA-N 333.439 3.877 0 50 EHAA CCc1onc(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(C)c(C)c1 33087027 TZRQQCVVFHKIFH-MRXNPFEDSA-N 348.468 3.688 0 50 EHAA C[C@@H]1Cc2cccc3c(=O)c(C(=O)NC4CCCCCCC4)cn1c23 33088946 KLSPXFFZRNDNHQ-CQSZACIVSA-N 338.451 3.961 0 50 EHAA CSc1cccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 36717395 ULLKURUSXDLFGK-AWEZNQCLSA-N 336.457 3.747 0 50 EHAA CC[C@@H](C)Sc1ncc(-c2nc3cc(C(=O)OC)ccc3[nH]2)cn1 67934507 HIKOIIJWGBEAPA-SNVBAGLBSA-N 342.424 3.697 0 50 EHAA O=S(=O)(O)c1cccc(Nc2ccnc3cc(Cl)ccc23)c1 71770821 NZSGUYZDIYULJR-UHFFFAOYSA-N 334.784 3.879 0 50 EHAA O=C(NC1=CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1 71770876 DPNACOMMNOXPKC-UHFFFAOYSA-N 345.446 3.730 0 50 EHAA COCc1ncc(CN2CCC(Sc3ccccc3C)CC2)cn1 72440203 JVBVDVDBXFOPHU-UHFFFAOYSA-N 343.496 3.688 0 50 EHAA Cc1ccc(Oc2ccc(C(=O)NCc3ccc(F)cc3)cc2)nn1 72442281 HEYGHBSUHRYQTC-UHFFFAOYSA-N 337.354 3.646 0 50 EHAA Cc1ccccc1OC1(C(=O)O)CCN(C[C@@H]2CC=CCC2)CC1 72478537 XUYKAZGVABDEJM-QGZVFWFLSA-N 329.440 3.649 0 50 EHAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 82092682 DURQZZCWEDYWBF-SFHVURJKSA-N 336.439 3.758 0 50 EHAA Cc1ccc(CC(=O)N2CCC(c3nccn3CC3CC3)CC2)cc1 82147393 MPFGBUDBSDZCMI-UHFFFAOYSA-N 337.467 3.550 0 50 EHAA CC(C)(C)n1cc(-c2ccccc2O)c(NC(=O)C(F)(F)F)n1 95802941 HTADIAGLRHIHFF-UHFFFAOYSA-N 327.306 3.512 0 50 EHAA Cc1ccn2c(F)c(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)nc2c1 97551403 GTUZQTRCWJVSAX-BFUOFWGJSA-N 329.419 3.823 0 50 EHAA Cc1c[nH]nc1C1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1 97743050 GCZINEHPFYQDSV-UHFFFAOYSA-N 341.499 3.801 0 50 EHAA COC(=O)c1ccc(-c2cc(C(=O)OC)cc(C(F)(F)F)c2)cc1 97756938 INAZHFLUESQJIF-UHFFFAOYSA-N 338.281 3.946 0 50 EHAA CSCC[C@@H]1C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O 100817295 KDGUNUVKTAAEES-IAGOWNOFSA-N 325.433 3.713 0 50 EHAA O=C(CCN1CCCC[C@H]1c1cn[nH]c1)Nc1ccccc1Cl 114203032 CGBQOAWQQGGPEZ-INIZCTEOSA-N 332.835 3.619 0 50 EHAA O=C1CCCc2cc(NC(=O)[C@H]3CSc4ccccc43)ccc2N1 118223106 PNWWOIDSLFKIGY-HNNXBMFYSA-N 338.432 3.789 0 50 EHAA Cc1nc(CC(C)C)sc1C(=O)N(C)[C@@H]1CCCc2c1cnn2C 154947260 NXNIFKRPHYLGPG-CQSZACIVSA-N 346.500 3.533 0 50 EHAA CCCO[C@@H]1CCCN(C(=O)Nc2ccnn2[C@H](C)C2CC2)CC1 156574642 JLSZFUGHQRTLOE-GDBMZVCRSA-N 334.464 3.667 0 50 EHAA CCc1ccc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1 156587208 VMGDZSRHTDTSGS-UHFFFAOYSA-N 334.375 3.527 0 50 EHAA COc1ccccc1-c1nc(CN(C)C[C@H]2CCCOC2)cs1 158040431 XHEMWRXISZCPJC-CQSZACIVSA-N 332.469 3.677 0 50 EHAA C[C@H]1CC[C@@H](NC(=O)NCc2cccc(N(C)C)n2)c2ccccc21 162678808 MKVUWAOPJVPRNF-KBXCAEBGSA-N 338.455 3.585 0 50 EHAA C[Si](C)(c1ccc(Oc2ccccc2)cc1)c1ccccc1CO 169745270 VSNKGNQYWJYONJ-UHFFFAOYSA-N 334.491 3.794 0 50 EHAA in-vitro Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 174399071 OTATTZOIDQQXHO-IBGZPJMESA-N 334.423 3.783 0 50 EHAA CCOC(=O)c1ccsc1NC(=O)N1CCC[C@@H]1c1ccncc1 175136741 VAIYASWQFSLUPM-CQSZACIVSA-N 345.424 3.689 0 50 EHAA Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@H]1COc2ccccc21 189844599 BLNCPDUPCMYPAY-HNNXBMFYSA-N 335.325 3.806 0 50 EHAA Cc1cccc(OC[C@@H](C)NC(=O)c2ccncc2C(F)(F)F)c1 193064731 HWHWQEYPHQPNHC-GFCCVEGCSA-N 338.329 3.606 0 50 EHAA CC(C)c1nccc(CN(C)[C@H](C)c2ccc3c(c2)OCCO3)n1 215732108 PVUCVQBCOWRHIF-CQSZACIVSA-N 327.428 3.564 0 50 EHAA COc1ccc(CN(CC2CCC2)c2ccnc(C)n2)c(OC)c1 225751533 XJXBQNLMMCYJID-UHFFFAOYSA-N 327.428 3.609 0 50 EHAA Cc1ccc2nc(CNC(=O)N[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)cn2c1 229758629 QLBARBBSNIBOSL-AKCHCHLHSA-N 340.471 3.657 0 50 EHAA Cc1cc(C(=O)N(C)Cc2cn3c(n2)CCCC3)c2nccc(C)c2c1 239366977 AHCBITMXJGSCBU-UHFFFAOYSA-N 348.450 3.657 0 50 EHAA Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)c12 253396239 MIKFGQNPSNGWFX-QXAKKESOSA-N 340.467 3.561 0 50 EHAA O=C(C1CCC(F)(F)CC1)N1CCC[C@H]1C[C@H](O)c1ccccc1 253415610 RIHINOHZTGDAQS-IRXDYDNUSA-N 337.410 3.927 0 50 EHAA Cc1nc(-c2ccc([C@@H](C)N3CCOCC3)cc2)cc(C(C)C)n1 426635524 SJFMBJDAPCEOEI-OAHLLOKOSA-N 325.456 3.969 0 50 EHAA CC[C@@H](C)[C@H](NC(=O)Cc1cc2ccccc2c(O)n1)C(F)(F)F 451434927 UGOLQZMQZODLEW-BMIGLBTASA-N 340.345 3.576 0 50 EHAA CO[C@H]1CC[C@@H](C)N(c2nc(-c3cccnc3)nc3ccccc23)C1 866068885 CIFZOYMVEMFLKR-ZBFHGGJFSA-N 334.423 3.696 0 50 EHAA O=C(c1cc(F)cc2ccoc12)N(C[C@@H]1CCCO1)c1ccncc1 932681183 CJUPKIFRCIKILS-INIZCTEOSA-N 340.354 3.793 0 50 EHAA Cc1ccccc1-c1ccc(CN2CCNC(=O)C23CCCC3)cc1 1506399346 MMYROZQHAPFZGY-UHFFFAOYSA-N 334.463 3.907 0 50 EHAA C[C@@H](Oc1ccccc1)c1csc(NC(=O)c2ccnc(O)c2)n1 1940196576 TWXQKSPTGYSWNE-LLVKDONJSA-N 341.392 3.636 0 50 EHAA Cc1occ(C(F)(F)F)c1CCNCc1cccc2nsnc12 2325858134 AIFQCGHGSGUUFO-UHFFFAOYSA-N 341.358 3.944 0 50 EHAA COc1ccc(-c2ccc(CN3CCC[C@@H](OC)C3)cn2)cc1F 2356147770 OCJFBAATVFUKAK-MRXNPFEDSA-N 330.403 3.507 0 50 EHAA Cc1cc(O)c(NC(=S)NC(=O)c2cc3ccccc3o2)cc1C 359511 VUSROUYVUYDLMN-UHFFFAOYSA-N 340.404 3.882 0 50 EHAA COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Cc2ccccc2)c1 451064 KEWZTUOWSJBQDK-HUUCEWRRSA-N 327.424 3.760 0 50 EHAA FC(F)(F)c1ccc(Cl)c(NC(=S)NC[C@H]2CCCO2)c1 465445 FVGLPHHGNRAMOQ-SECBINFHSA-N 338.782 3.824 0 50 EHAA O[C@H](COc1ccc(Cl)cc1)Cn1cnc(-c2ccccc2)c1 608830 QLKXUPIGSHPNCO-INIZCTEOSA-N 328.799 3.643 0 50 EHAA Cc1c([C@H](C)NC(=S)Nc2ccccc2C(F)(F)F)cnn1C 609939 NLDYXIZUWKSHLL-VIFPVBQESA-N 342.390 3.795 0 50 EHAA CCOC(=O)N[C@H](Nc1ccc(F)cc1)C(Cl)(Cl)Cl 2194097 GHIZSQVPGHVOCP-VIFPVBQESA-N 329.586 3.680 0 50 EHAA COc1ccc(OC)c([C@@H](C)NC(=S)Nc2ccc(F)cc2)c1 2855632 NNVLMDQLCLSGNB-LLVKDONJSA-N 334.416 3.891 0 50 EHAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3[nH]c4c(F)cccc4c3C)C[C@H]21 2356170226 ZEMPZDDAFKBPCW-AGKSTNPPSA-N 344.430 3.629 0 50 EHAA O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1ccc(F)cc1 3911954 NPRKYBGGYPMOIQ-UHFFFAOYSA-N 327.384 3.947 0 50 EHAA O=[S@@](Nc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2 4821291 LVHRLDCWEUSXDO-RHVHHVRISA-N 333.453 3.502 0 50 EHAA O=C(Nc1ccccc1C(=O)Nc1nccs1)c1ccccc1F 4825820 LGHQHNDBAYPAKQ-UHFFFAOYSA-N 341.367 3.787 0 50 EHAA CC1(C)Cc2c(sc3nc(CCc4ccccc4)[nH]c(=O)c23)CO1 4911666 ZXWSVNONUKXVED-UHFFFAOYSA-N 340.448 3.621 0 50 EHAA COc1cc(C)c(S(=O)(=O)Nc2cc(C)ccn2)cc1C(C)C 4970555 DYGKTUBXXWRCOC-UHFFFAOYSA-N 334.441 3.631 0 50 EHAA O=C(C[C@H]1OCCc2ccccc21)NCc1nc2ccccc2s1 115006759 XLLFDRHCEHBFPT-MRXNPFEDSA-N 338.432 3.617 0 50 EHAA Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1)N(C)C 55441193 BSASZYICAZIMBK-KRWDZBQOSA-N 341.846 3.584 0 50 EHAA CC(C)C[C@@H](O)C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 55357906 KWQYMFMBKFHONV-LJQANCHMSA-N 345.462 3.835 0 50 EHAA COc1ccccc1CN(Cc1cccc(C)c1)C(=O)c1cncnc1 55042108 IHDUUSSERZSXAX-UHFFFAOYSA-N 347.418 3.636 0 50 EHAA Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)n1 10230892 LKVFNOFTQYHXDC-NSHDSACASA-N 344.465 3.822 0 50 EHAA Fc1ccc(C2=NN(c3ccccc3)CN(c3ccccc3)N2)cc1 43454397 FIOXWPUUZZXJJR-UHFFFAOYSA-N 332.382 3.976 0 50 EHAA CC(C)Cc1cc(-c2nn3c(-c4ccsc4)nnc3s2)[nH]n1 66087736 BITYCSYSJFJJRT-UHFFFAOYSA-N 330.442 3.503 0 50 EHAA CC(=O)Nc1ccc(CCNC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)cc1 361769901 UWPFVNDZQAPTNP-KBXCAEBGSA-N 345.487 3.702 0 50 EHAA CCCOc1ccc2ccccc2c1CN1CCO[C@H](CCOC)C1 215717838 SPPLENMBVGTPGY-GOSISDBHSA-N 343.467 3.866 0 50 EHAA Cc1ccc(C)c(-n2cc(CN(C)CCCO)c(-c3ccccc3)n2)c1 72409817 RCOWGXWNODMNFB-UHFFFAOYSA-N 349.478 3.970 0 50 EHAA CC(C)(C)c1noc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)n1 246503825 HWMFBHKUIPSIAH-HZPDHXFCSA-N 347.434 3.594 0 50 EHAA CC(=O)c1ccc(N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)nc1 245632838 VZXBSNOCHVGXJB-QZTJIDSGSA-N 328.387 3.516 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(-c2ccccn2)c1 263457720 BCWBKDLBPYZVGB-IHPCNDPISA-N 336.435 3.966 0 50 EHAA O=C(O)c1ccccc1CCC(=O)N1CCC(c2ccsc2)CC1 263581850 XSKAMJRXWZPXJR-UHFFFAOYSA-N 343.448 3.785 0 50 EHAA Cc1cccc(O[C@@H](C(=O)N(C)CCC2CCOCC2)C(C)C)c1 223909979 TUMDAJCTIFWAJX-LJQANCHMSA-N 333.472 3.674 0 50 EHAA Cc1nccn1CCC(=O)N1CCCC[C@@H]1CCc1cccs1 82137566 QZHBEULUMNOOTQ-MRXNPFEDSA-N 331.485 3.657 0 50 EHAA C[C@H](c1ccc(-c2ccc(-n3ccnc3)nn2)cc1)N1CCCCC1 426578730 ORGYYZUOKJVGDR-MRXNPFEDSA-N 333.439 3.876 0 50 EHAA CC(C)n1ccnc1[C@@H]1CCCN(C(=O)NCc2ccccc2F)C1 95377250 HFHRJSQKELBTAG-MRXNPFEDSA-N 344.434 3.692 0 50 EHAA COc1ccccc1-c1cc(C(=O)N[C@@H](C)C2=CCCCC2)[nH]n1 97463526 ZSFRXPUUGFINDQ-ZDUSSCGKSA-N 325.412 3.704 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1ccc2cccc(F)c2n1 91289016 YUFYHEPQEYETSP-GFCCVEGCSA-N 326.375 3.547 0 50 EHAA Cc1nc(-c2ccc(CNC(=O)C[C@H]3CCc4ccccc43)cc2)no1 91819685 ZSGISQDASJKKSP-GOSISDBHSA-N 347.418 3.781 0 50 EHAA Cc1ccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)c2cccnc12 96131090 IGKVTIYAWOIYGD-UHFFFAOYSA-N 335.411 3.678 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 253611232 AHRWWYGWQKBKBF-BUJXIGIDSA-N 330.468 3.982 0 50 EHAA O=C1Nc2ccccc2/C1=C/c1ccccc1I 33421098 IGTKYLFYBCCOAB-XFXZXTDPSA-N 347.155 3.784 0 50 EHAA CN1CCCCC[C@@H]1C(=O)NCC1(c2ccccc2F)CCCC1 299780013 JITTXDZQNFIMAR-GOSISDBHSA-N 332.463 3.628 0 50 EHAA Fc1ccccc1CCOc1cccc(CNC[C@H]2CCCO2)c1 299765331 MDMDSDCGGMOCRB-LJQANCHMSA-N 329.415 3.716 0 50 EHAA Cc1ccc2c(c1)cc(CN(CCCO)Cc1cccs1)n2C 828752898 IVEKZVAUKSLETK-UHFFFAOYSA-N 328.481 3.933 0 50 EHAA Cc1nccc(Oc2ccc(NC(=O)N[C@@H](C)c3ccncc3)cc2)n1 1875261237 BFYIHMZYZWNONL-ZDUSSCGKSA-N 349.394 3.855 0 50 EHAA O=C([C@@H]1CNCC12CCCC2)N1C[C@@H]2CCCC[C@]21c1ccccc1 1875336040 QRICURPLLGWKBL-IPJJNNNSSA-N 338.495 3.694 0 50 EHAA C[C@H](C(=O)c1c[nH]c2ncccc12)N1CCC=C(c2cccc(O)c2)C1 1875338930 QQHWBXQJBVVMEE-CQSZACIVSA-N 347.418 3.629 0 50 EHAA CC(C)c1cncc(NC(=O)c2nscc2Br)c1 888237081 QRCLJAGOMVLDRV-UHFFFAOYSA-N 326.219 3.676 0 50 EHAA Cc1cn(C2CCCCC2)nc1NC(=O)NC[C@@]1(C)CCCCO1 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348.450 3.970 0 50 EHAA O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(F)cc1F 12137886 GZGDOARKMWTHCL-HNNXBMFYSA-N 333.334 3.775 0 50 EHAA COC(C)(C)CNC(=O)c1csc2nc(-c3ccc(C)cc3)cn12 12316541 FFHUKSBDDYWALO-UHFFFAOYSA-N 343.452 3.526 0 50 EHAA CCOc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 16606423 BGBFQAIYASRSBA-UHFFFAOYSA-N 338.451 3.936 0 50 EHAA CN1c2cc(C(=O)Nc3ccccc3)ccc2C(=O)N2CCCCC[C@@H]21 169766113 PJVREQSLFCLVNJ-LJQANCHMSA-N 349.434 3.731 0 50 EHAA OC[C@]1(Cc2ccccc2)C[C@@H]2CC[C@H]1N2Cc1ccc2c(c1)CCO2 1857718532 JEDOKGAFMNKRML-WWNPGLIZSA-N 349.474 3.580 0 50 EHAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 130662348 YSVLFVLVDWJJSD-MOPGFXCFSA-N 348.446 3.973 0 50 EHAA CC1=CC[C@H](Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)CC1 901694594 PVWRYAJLNUPTBB-KRWDZBQOSA-N 342.439 3.534 0 50 EHAA Cc1nn(CC(=O)N(C(C)C)[C@@H](C)c2ccsc2)c2ncccc12 905967382 CXMMVMXCKVRUON-AWEZNQCLSA-N 342.468 3.799 0 50 EHAA O=C(Nc1ccnn1Cc1ccccn1)N1CCCCc2ccccc21 930584927 BGGQNNTVVMHZIQ-UHFFFAOYSA-N 347.422 3.701 0 50 EHAA O=C(NC1CC1)[C@H]1CCCN1Cc1cccc(-c2ccccc2F)c1 2325719104 CYHDNGRMXVWRCZ-HXUWFJFHSA-N 338.426 3.736 0 50 EHAA Cc1ccn(-c2ccc(CN[C@H]3CCCN(c4ccccc4)C3)cc2)n1 2325856172 DJAKMRBQQPKIPE-FQEVSTJZSA-N 346.478 3.939 0 50 EHAA Cc1nc([C@H](C)NCc2ccc3[nH]ccc3c2)nn1-c1ccccc1 2325859754 JKVHSZUQOQKKIU-AWEZNQCLSA-N 331.423 3.908 0 50 EHAA O=C(O)c1ccccc1-c1ccccc1C(=O)N1CCC(F)(F)CC1 864174865 VPWLHCZMWVNCDP-UHFFFAOYSA-N 345.345 3.923 0 50 EHAA COCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 149972 XCLOHZCVCLLZQN-UHFFFAOYSA-N 333.200 3.635 0 50 EHAA OCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 202786 YMPVGVPGXDITGS-UHFFFAOYSA-N 329.197 3.794 0 50 EHAA COc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1OC 261144 APOLMJNSRZYLLR-UHFFFAOYSA-N 333.343 3.658 0 50 EHAA O=c1c2ccccc2nc(Sc2ccccn2)n1-c1ccccc1 407450 IXNZAKFFQASKAU-UHFFFAOYSA-N 331.400 3.932 0 50 EHAA CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 1112352 OQCKICUAYHSSRX-AWEZNQCLSA-N 342.826 3.894 0 50 EHAA O[C@]12CCCC[C@@H]1[C@@H](c1ccc(F)c(Br)c1)NCC2 4031353 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CCC[C@@H](c1cccs1)n1cnc2sc3c(c2c1=O)CCNC3 65465507 RTAKEJVZQFGKLA-LBPRGKRZSA-N 345.493 3.555 0 50 EHAA CCCn1cnnc1Cn1ccnc1-c1ccc(OC)c2ccccc12 71707839 JSCCEJURQILLGE-UHFFFAOYSA-N 347.422 3.762 0 50 EHAA CC(C)=CCN1C[C@H]2CC[C@@H]1CN(Cc1cc(CN(C)C)cs1)C2 91738085 ANTLEGXXQKJRFO-PKOBYXMFSA-N 347.572 3.672 0 50 EHAA C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2F)CC[C@@]1(O)C1CC1 92003833 CKHMNMQPQRSSEN-BZNIZROVSA-N 331.353 3.827 0 50 EHAA Cc1cccnc1[C@H](NC(=O)c1cc(-c2ccccc2)on1)C1CC1 96130336 PVPMEFKOTFGCHE-LJQANCHMSA-N 333.391 3.926 0 50 EHAA O[C@@H](C[C@@H]1CCCCCN1c1ccc2nccnc2n1)c1ccccc1 133030586 CTWFIECHZLHLNR-HKUYNNGSSA-N 348.450 3.898 0 50 EHAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cccc(C(N)=O)c1 153230695 UDLAMVVEUJYSNH-GFCCVEGCSA-N 345.468 3.507 0 50 EHAA O=C1CCCc2ccc(NCc3nc(-c4ccsc4)no3)cc21 175150625 HBVOXLHPUWHPOU-UHFFFAOYSA-N 325.393 3.929 0 50 EHAA Cc1nn(C)cc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 189683263 OOYJEIKAIUJEGI-QMMMGPOBSA-N 327.215 3.918 0 50 EHAA CCOC(=O)C1(CNC(=O)CCc2ccc(Cl)s2)CCCC1 192259031 CIJYLEJBIHWOOG-UHFFFAOYSA-N 343.876 3.574 0 50 EHAA Cn1nc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)c2ccccc21 219535554 MIZWDPNOARLEPT-QGZVFWFLSA-N 348.450 3.596 0 50 EHAA CC(C)c1nnc([C@@H](C)NC(=O)CCCc2c[nH]c3ccccc23)o1 220686932 HEKNWDPTIMXBHO-CYBMUJFWSA-N 340.427 3.874 0 50 EHAA CSc1ccccc1C(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 225494498 GBDDBLFWNJTCFQ-CQSZACIVSA-N 339.819 3.664 0 50 EHAA Cc1ccncc1CNC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 241277737 LISUTRPWCXXSGN-KXBFYZLASA-N 347.865 3.965 0 50 EHAA Cc1cccnc1C[C@@H](C)N(C)CCC(=O)Nc1cccc(C)c1C 243885893 ADHFCFHTHMPTJK-QGZVFWFLSA-N 339.483 3.898 0 50 EHAA C[C@H](NC(=O)NC[C@H]1CCCO[C@H]1c1ccccc1)c1cccnc1 250159687 FHOONPAMCJABFX-IPELMVKDSA-N 339.439 3.610 0 50 EHAA CC(=O)Nc1ccc(C)c(C(=O)N(C)Cc2ccc(C)c(F)c2)c1 252497213 QBPDHADBKOYYRZ-UHFFFAOYSA-N 328.387 3.673 0 50 EHAA COc1cccc(C(=O)N[C@@H](c2nc3ccccc3n2C)C(C)C)c1 252533218 GGTLVBGXTAZFFG-GOSISDBHSA-N 337.423 3.709 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(-c2cccs2)on1 261835536 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Cc1cccc(Oc2ccc(C(=O)N[C@H](C)c3n[nH]c(C)n3)cc2)c1 670468337 ZAAMEGJMBJBNOG-CYBMUJFWSA-N 336.395 3.705 0 50 EHAA CCn1ccnc1[C@@H]1OCC[C@H]1CNC(=O)C=C1CCC(C)(C)CC1 855765104 CQLGIEDEZNTRLN-FUHWJXTLSA-N 345.487 3.623 0 50 EHAA CCc1ccc([C@H]2COCCN2C(=O)Nc2c(C)ccnc2CC)o1 934472866 UKEFXXWJBPJQCB-MRXNPFEDSA-N 343.427 3.713 0 50 EHAA C[C@@H](NC(=O)NCc1nc2c(s1)CCCC2)c1ccc(F)cc1 1342383447 JXUHUQDSJLSMPC-LLVKDONJSA-N 333.432 3.721 0 50 EHAA C[C@@H](C(=O)N1CCC[C@H](c2cccnc2)C1)c1ccc(F)cc1F 1350443276 IUXDNAPDANBGFL-HIFRSBDPSA-N 330.378 3.870 0 50 EHAA COc1cccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1 1472786785 VCPTWBHIUDMLOJ-MRXNPFEDSA-N 335.407 3.896 0 50 EHAA CCCCC[C@H]1C=C[C@@H]2[C@H](O)C[C@H](O)[C@@H]2CC=CCCCC(=O)O1 1500979101 UTLCNJREJFJDLH-XCDZQEORSA-N 336.472 3.523 0 50 EHAA O=C(N[C@H]1CCc2c(Cl)cccc21)c1cnc2c(c1)C(=O)CCC2 1857531476 ZOCJTWNPFXFPFW-KRWDZBQOSA-N 340.810 3.671 0 50 EHAA C[C@H]1CN(C(=O)CCc2ccccc2CN)Cc2c(Cl)cccc21 1875287312 DMTQEJMHGHMURF-AWEZNQCLSA-N 342.870 3.877 0 50 EHAA Cc1ccc(NC(=O)OC(C)(C)C)c(OC[C@@H]2C[N@@]2CC2CC2)c1 1875383733 AGOYGIRQUFUSJR-YCRPNKLZSA-N 332.444 3.815 0 50 EHAA Cc1cccc(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2F)n1 1875388240 SEDAOBYLOYHIAS-AWEZNQCLSA-N 331.366 3.907 0 50 EHAA CCCC1(C(=O)NC[C@H](C)CNC(=O)[C@@H]2CCC[C@@H](C)C2)CCC1 2325793052 DJSPSNFACMJLNF-BRWVUGGUSA-N 336.520 3.652 0 50 EHAA O=C(NCCc1c[nH]c2cccnc12)c1ccc(Oc2ccccc2)o1 2325824346 YXQWDBTUEUBHOM-UHFFFAOYSA-N 347.374 3.921 0 50 EHAA Cn1ccc(C2CN(C(=O)Nc3ccccc3-c3cccs3)C2)n1 2325825007 ZAAOTNKAUMBHAN-UHFFFAOYSA-N 338.436 3.780 0 50 EHAA CC(=O)N(C)c1ccc(NC(=O)c2cccc(Br)c2)cc1 31022 PZSMSTKLLOJSIS-UHFFFAOYSA-N 347.212 3.684 0 50 EHAA Brc1cccc(CSc2nnnn2-c2ccccc2)c1 33477 DXQZBBWZZXLDNG-UHFFFAOYSA-N 347.241 3.717 0 50 EHAA O=C(O)c1cc(Cl)cn(Cc2c(Cl)cccc2Cl)c1=O 169895 VGKXLEJSDBNNBG-UHFFFAOYSA-N 332.570 3.555 0 50 EHAA O=C(NCc1ccc(CNC(=O)c2ccccc2)cc1)c1ccccc1 227135 PYQANETVRUWJJA-UHFFFAOYSA-N 344.414 3.547 0 50 EHAA CC(C)c1ccc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 302910 VATRAHIJCSTEDX-UHFFFAOYSA-N 332.488 3.614 0 50 EHAA CC[C@@H](Sc1nnc(C)s1)C(=O)Nc1ccc(C(C)=O)cc1 359957 FSJTYNVCEQJURJ-CYBMUJFWSA-N 335.454 3.559 0 50 EHAA O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cc(F)ccc1F 374236 ZWCZBZZEGKEMHI-UHFFFAOYSA-N 345.271 3.696 0 50 EHAA CCc1ccc(OCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 858889 ITJPCERZSQNSJX-UHFFFAOYSA-N 349.814 3.937 0 50 EHAA CCOC(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1 1741614 HEBDWBCMYBFGHJ-UHFFFAOYSA-N 326.352 3.710 0 50 EHAA Cc1ccc(C[C@]2(C(=O)O)CCCN(C(=O)OC(C)(C)C)C2)cc1 2513082 OROZSQNPVNQUHJ-LJQANCHMSA-N 333.428 3.639 0 50 EHAA CC(=O)c1c(C)n(CC(=O)N2CCc3ccccc32)c2ccccc12 2876070 IHAUDPGCPZVCCO-UHFFFAOYSA-N 332.403 3.742 0 50 EHAA CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 2972814 ADOVSKROJYNNLX-UHFFFAOYSA-N 327.380 3.904 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1 4841281 AZYJXRGLGBNRHF-UHFFFAOYSA-N 336.435 3.802 0 50 EHAA Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)OC3)cc1 10110156 ZEBIVQYZVFYEKS-UHFFFAOYSA-N 331.437 3.647 0 50 EHAA CC1CCN(C(=O)C[C@@H](c2ccc(O)cc2)c2cccc(O)c2)CC1 11663183 SPHYIFDYSRRMLH-FQEVSTJZSA-N 339.435 3.878 0 50 EHAA COCCN1CCC[C@@]2(CCN(Cc3cc4ccccc4s3)C2)C1 11816237 PJGGMAGHNIDVNI-HXUWFJFHSA-N 344.524 3.836 0 50 EHAA O=C(N[C@H]1CCCN(CC2CCCCC2)C1)c1ccc(F)c(F)c1 12707180 LETWKTZAWAAEJI-INIZCTEOSA-N 336.426 3.739 0 50 EHAA Brc1ccc(C2=C[C@H](c3ccco3)N3N=NNC3=N2)cc1 13123052 ABMQAURIRUUZLZ-GFCCVEGCSA-N 344.172 3.681 0 50 EHAA C[C@H](CO)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 15077414 UNAHXPYSTLCMJS-MRXNPFEDSA-N 348.446 3.594 0 50 EHAA CCCN1CCC(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)CC1 16604304 CVIDXSVKBVNXKP-MRXNPFEDSA-N 332.488 3.568 0 50 EHAA CC1=CC[C@@H]2C(=O)N(c3ccc(C)c(Br)c3)C(=O)[C@H]2C1 18177542 OTPBGHCPUQNBFB-STQMWFEESA-N 334.213 3.603 0 50 EHAA CC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@H](C)[C@@H]1OC(=O)[C@H]1C 25722823 WOISDAHQBUYEAF-QIQXJRRPSA-N 338.488 3.769 0 50 EHAA biogenic,in-vitro CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CC(=O)O)c1ccccc12 35571284 FARYIPWNEVTXDV-AWEZNQCLSA-N 345.439 3.917 0 50 EHAA Cc1ccc(C(=O)N2CCCN(CC3CC3)[C@@H](C(C)C)C2)c(F)c1 71388770 PZGDOYCRPONSDY-LJQANCHMSA-N 332.463 3.717 0 50 EHAA c1ccc(CCCc2noc(-c3ccc(-c4cn[nH]c4)nc3)n2)cc1 72163672 VCGKYXRYTQIDML-UHFFFAOYSA-N 331.379 3.697 0 50 EHAA Cn1ccnc1CC[C@H]1CCCCN1Cc1cnn(-c2ccccc2)c1 77378093 KFLNSVUSVVVLRZ-LJQANCHMSA-N 349.482 3.593 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N3CCOC4(CCCC4)C3)c2c1 77407162 NPKVERDFIAKUJU-UHFFFAOYSA-N 338.451 3.891 0 50 EHAA Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3csc(C)n3)[nH]c2c1 77460072 WCWMOCPRWLGNFR-INIZCTEOSA-N 340.452 3.542 0 50 EHAA Cc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3nonc3C)oc2c1 91665629 RZLYKFMGVNUVLV-CQSZACIVSA-N 325.368 3.718 0 50 EHAA Cc1ncsc1CN1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1 91848227 CCBSGZKALPKOJC-IBGZPJMESA-N 347.528 3.599 0 50 EHAA CC(=O)c1ccc(OCc2noc(-c3scnc3C)n2)c(Cl)c1 119469582 VEUCCDSYXUOYAC-UHFFFAOYSA-N 349.799 3.937 0 50 EHAA CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc(F)c(Cl)c1)C2 125693346 YUSNJIDFOKUKSB-UHFFFAOYSA-N 335.810 3.535 0 50 EHAA CCN(CCNc1ncnc2c1oc1ccccc12)CC(F)(F)F 170618754 KMDFZYWYZDMHGB-UHFFFAOYSA-N 338.333 3.672 0 50 EHAA C[C@H](Cc1ccsc1)N(C)C(=O)NC1CCN(C(C)(C)C)CC1 175983357 PGTPQFMIZNYFHB-CQSZACIVSA-N 337.533 3.583 0 50 EHAA CC[C@H](NC(=O)N1CCC[C@H]1c1noc(C(C)C)n1)c1ccncc1 177556676 MQCRGZYFIKOWSI-GJZGRUSLSA-N 343.431 3.586 0 50 EHAA c1cc(CN2CCC[C@H](c3nnc4ccccn34)C2)c2cc[nH]c2c1 179781642 BTNMRJAZICHYHX-INIZCTEOSA-N 331.423 3.590 0 50 EHAA CCn1nc(C)c(NC(=O)N2CCc3c(C)cc(C)cc3C2)c1C 187377072 IIOHGYYYVRJEKQ-UHFFFAOYSA-N 326.444 3.727 0 50 EHAA CC(C)COc1ccc(CNC(=O)[C@H]2CCCc3cccnc32)cc1 194098483 PGMYNPGFERTQKQ-IBGZPJMESA-N 338.451 3.853 0 50 EHAA CCNc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccccc2OC)s1 215810992 FIEJPOAOFOMUQY-CQSZACIVSA-N 345.468 3.869 0 50 EHAA c1cncc(COC2CCN(Cc3nc4c(s3)CCCC4)CC2)c1 216166193 HNHZYTRWRHRQTQ-UHFFFAOYSA-N 343.496 3.598 0 50 EHAA COc1ccc(CN(Cc2ccncc2)C[C@@H]2CCCO2)cc1Cl 216260339 BAOZSYFXIPAQQY-KRWDZBQOSA-N 346.858 3.925 0 50 EHAA C[C@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)c1ccc(-c2cccnc2)cc1 245338832 OTYAPHMHWLVDOD-YZVOILCLSA-N 339.439 3.676 0 50 EHAA C[C@@H]1SCCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)[C@@H]1c1ccccc1 252005835 OOZHRSFAYMRUTF-FZDIXFNVSA-N 338.476 3.890 0 50 EHAA CNC(=S)N1N=C(c2cccc(C)c2)C[C@H]1c1ccc(OC)cc1 252500933 TZTQKSLZKAJZAU-SFHVURJKSA-N 339.464 3.659 0 50 EHAA Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(F)c3)c2C)c(C)c1 263618851 VUPHVXBCQJKASQ-UHFFFAOYSA-N 338.386 3.892 0 50 EHAA CSCCNC(=O)c1cc(Cc2cccc3ccccc23)no1 299757549 JLTWIYFHRDPLSP-UHFFFAOYSA-N 326.421 3.511 0 50 EHAA O=C(Nc1ncccc1OC(F)F)[C@H]1CC[C@@H](c2ccccc2)O1 367967222 CQSWCIMLWZHOGN-GXTWGEPZSA-N 334.322 3.542 0 50 EHAA Cc1nc(CN[C@H]2CCOc3c(Br)cccc32)oc1C 374304404 YPWFONRALLXZBF-ZDUSSCGKSA-N 337.217 3.667 0 50 EHAA O=C(Cc1ccccc1C(=O)O)N[C@@H](C1CCCCC1)C(F)(F)F 668301040 BPLJLBKQKPBWFM-HNNXBMFYSA-N 343.345 3.555 0 50 EHAA CC(C)n1cc2c(n1)[C@@H](Nc1ccc(C(F)(F)F)nn1)CCC2 780396374 CBOBFKVNPHQIES-NSHDSACASA-N 325.338 3.762 0 50 EHAA COC(=O)Nc1cccc(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1 803543669 CTGBMFRMTVQTGD-HZPDHXFCSA-N 330.428 3.720 0 50 EHAA CC(C)Cc1ccc(CN2CCCC[C@@H]2CN2CCOCC2)s1 821459800 GIHDOMYDANUVNH-QGZVFWFLSA-N 336.545 3.633 0 50 EHAA N[C@H]1C[C@](c2ccccc2)(c2nc(-c3ccc(Cl)s3)no2)C1 904690958 SUMPZZFXKYGBBO-SXUIPJSXSA-N 331.828 3.859 0 50 EHAA Cc1csc2ncnc(NC[C@]3(c4ccccc4)C[C@H](O)C3)c12 905015457 VSZMBTMMIAFJFK-PPUGGXLSSA-N 325.437 3.504 0 50 EHAA COc1c(C)cnc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)c1C 952970771 PTTBENBEXSLCGZ-UHFFFAOYSA-N 342.483 3.930 0 50 EHAA CCN(C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)cc1)C1CC1 952993841 RZUPSCPWQNMQJK-UHFFFAOYSA-N 339.395 3.594 0 50 EHAA Cc1cccc(CN(CC[C@H]2CCS(=O)(=O)C2)C2CCCCC2)c1 1529189738 WNOGCMGLMFYDRG-SFHVURJKSA-N 349.540 3.955 0 50 EHAA CCCc1cnc(C)nc1N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 1704303943 JOMUKSVNUOXLEE-KRWDZBQOSA-N 347.484 3.704 0 50 EHAA COc1ccc(-c2cc3ncnc(NC[C@H]4CCOC4)c3s2)cc1 1875255597 QHMWKGUCSOUXPY-GFCCVEGCSA-N 341.436 3.815 0 50 EHAA COc1cc(C)c(-c2nc(NC(=O)[C@H]3CCCO3)sc2C)cc1C 1940197941 CQVJTRVYNQHTMS-CQSZACIVSA-N 346.452 3.861 0 50 EHAA O=C(/C=C/c1ccncc1)OCCCCCn1cnc2ccccc21 2325729123 PVZZHKVVHWJTEH-CMDGGOBGSA-N 335.407 3.858 0 50 EHAA C[C@H](NCc1ccc(-c2cnn(C)c2)cc1)c1ccc2c(c1)OCO2 2325740403 DFUPMVWCVAGYHJ-AWEZNQCLSA-N 335.407 3.667 0 50 EHAA N[C@@]1(c2ccccc2)CCN(C(=O)c2cc(-c3ccccc3)ns2)C1 2325856252 HPHPPJNSXQTVTF-FQEVSTJZSA-N 349.459 3.510 0 50 EHAA C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)c1ccccc1 38000 DLBQSKMMKHAKHC-ZDUSSCGKSA-N 334.371 3.932 0 50 EHAA biogenic O=C(COc1ccc(F)cc1)Nc1nc(-c2ccccc2)cs1 307000 BQZGZRPCWJZKTI-UHFFFAOYSA-N 328.368 3.967 0 50 EHAA COc1ccc(C)cc1NC(=O)c1ccc(OC(F)F)c(OC)c1 375173 CIVIKSHBXMNFNI-UHFFFAOYSA-N 337.322 3.866 0 50 EHAA CC1=C(C(=O)Nc2cc(C)ccc2C)[C@@H](c2cccs2)NC(=O)N1 460065 YUXIHIYRHWYKEX-MRXNPFEDSA-N 341.436 3.632 0 50 EHAA COc1cccc(C(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2C)c1 488751 LNZJMUHNARCMOS-UHFFFAOYSA-N 338.359 3.946 0 50 EHAA biogenic CC(C)NC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 614809 DMTGXHUZBFHITC-UHFFFAOYSA-N 338.382 3.536 0 50 EHAA CCOc1ccc(Br)cc1C(=O)NC1CCCCC1 616297 HGGNXJVDFXAQMV-UHFFFAOYSA-N 326.234 3.910 0 50 EHAA CC(C)NC(=O)c1sc2nc(-c3ccc(F)cc3)ccc2c1N 804060 SXHUTEHPEGFNIJ-UHFFFAOYSA-N 329.400 3.823 0 50 EHAA Cc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 1601368 LETDRANQSOEVCX-UHFFFAOYSA-N 329.829 3.833 0 50 EHAA in-vitro O=C(Nc1ncn(Cc2c(F)cccc2Cl)n1)c1ccc(F)cc1 2794535 CYPVEVHHQZRXBE-UHFFFAOYSA-N 348.740 3.510 0 50 EHAA CCOC(=O)[C@H]1CCCN([C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 4021244 GEVHASPEKHFKMQ-ZFWWWQNUSA-N 343.389 3.912 0 50 EHAA Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(C)C3=O 4838021 BBUVZXARBULUMO-QGZVFWFLSA-N 337.350 3.724 0 50 EHAA CCOC(=O)C1CCN(C(=O)CCc2ccc(C(C)C)cc2)CC1 10362837 NXLLBBLJDWXMFM-UHFFFAOYSA-N 331.456 3.544 0 50 EHAA CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(NC(C)=O)c1 12404197 AVMKVCBLMPKFNS-GOSISDBHSA-N 326.396 3.750 0 50 EHAA O=C(Nc1cccc2ccccc12)N1CCN(Cc2ccccn2)CC1 13325059 KREODEHJBXXQGI-UHFFFAOYSA-N 346.434 3.585 0 50 EHAA CCOC(=O)[C@@H]1CCCN(c2cc(C)c3ccc(Cl)cc3n2)C1 23634314 BABMYYWLLKWGJI-CYBMUJFWSA-N 332.831 3.976 0 50 EHAA COc1ccccc1CN(Cc1cccnc1)Cc1nccs1 55053028 ICMSSMSIHOFPGV-UHFFFAOYSA-N 325.437 3.749 0 50 EHAA CCc1nc(C)c(C(=O)N(C)Cc2cccc3ncccc23)s1 65370275 UJJKWBLQIKYOLT-UHFFFAOYSA-N 325.437 3.834 0 50 EHAA Cc1noc(C)c1CN1CCC[C@@H](C(=O)CCc2ccccc2)C1 72141912 MUYLAWZHTAJNHB-GOSISDBHSA-N 326.440 3.705 0 50 EHAA COc1ccc(NC(=O)c2ccc(Oc3ccc(C)nn3)cc2)cc1 72446732 QOYMAUOFYPQYCZ-UHFFFAOYSA-N 335.363 3.838 0 50 EHAA Cc1cc(N2CCC[C@@H](Cn3ccnc3)C2)nc(-c2ccccc2)n1 77356709 LDAZCXIBNAZZKN-KRWDZBQOSA-N 333.439 3.565 0 50 EHAA Cc1nccc(-c2ccccc2)c1C(=O)N1CCCC[C@H](N(C)C)C1 82126098 UNWXNTSNAGKXMP-SFHVURJKSA-N 337.467 3.613 0 50 EHAA Cc1c(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cccc1-n1cccc1 95507401 DGBQZWRAZAJEDO-INIZCTEOSA-N 349.438 3.920 0 50 EHAA CC[C@@H](CNC(=O)Nc1cc(-c2ccccc2)ccc1OC)OC 96132071 SKVXKQNEQVRBSX-INIZCTEOSA-N 328.412 3.909 0 50 EHAA Cc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1C 101195963 USFSYIBIBLMJRR-QGZVFWFLSA-N 337.814 3.999 0 50 EHAA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CNCCO 118917473 GLWKVBMAXIHLJD-DHGBTQKMSA-N 349.559 3.732 0 50 EHAA CC(C)c1cc(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)no1 121986150 NHKVWCBOADZUMC-UHFFFAOYSA-N 341.455 3.535 0 50 EHAA O=C1C[C@@H](c2noc(-c3ccc(F)cc3)n2)CN1C1CCCCC1 169764638 HEDMALXSVNQKNU-CYBMUJFWSA-N 329.375 3.524 0 50 EHAA CCS(=O)(=O)Nc1ccc(N[C@H](C)c2ccccc2OC)cc1C 170592559 IZEVGGBXVPBDHN-CQSZACIVSA-N 348.468 3.938 0 50 EHAA CCc1n[nH]c(NCc2cc(F)c(F)c(F)c2)c1Br 170618580 RUGFBIJLYZHALI-UHFFFAOYSA-N 334.139 3.764 0 50 EHAA CC(C)(C)c1ncc(NC(=O)N2CCC[C@@H]2c2ccncc2)cn1 171317612 MWFNSYHNLYULPB-OAHLLOKOSA-N 325.416 3.538 0 50 EHAA CCS[C@H]1CCC[C@@H](NC(=O)N(Cc2ccccn2)C2CC2)C1 175896211 AGQMQWFNNDEOJZ-PBHICJAKSA-N 333.501 3.820 0 50 EHAA COC[C@@H](NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 179175283 ACFBAPNLYOHHQW-OAHLLOKOSA-N 341.304 3.962 0 50 EHAA O=C([C@@H]1CCc2ccccc21)N1CCCN(Cc2cccs2)CC1 215354740 KYINKJMIFGSBMW-LJQANCHMSA-N 340.492 3.512 0 50 EHAA Cc1c(CN2CCCN(Cc3ccccn3)CC2)oc2ccccc12 215731851 ZFDWTZYHRHDJQA-UHFFFAOYSA-N 335.451 3.844 0 50 EHAA C[C@@H](C(=O)N1[C@@H](C)CCC[C@H]1C)N1CC=C(c2ccc(O)cc2)CC1 241326135 LZMNIUSXWXUGHX-BBWFWOEESA-N 342.483 3.659 0 50 EHAA Cn1cc(C2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)cn1 241383494 MVSYBEFBDXUQIC-RYQLBKOJSA-N 329.488 3.733 0 50 EHAA CO[C@@]1(C)CCCN(C(=O)c2ccc(F)cc2C(F)(F)F)CC1 241961318 URKACPLKSMSOJS-HNNXBMFYSA-N 333.325 3.876 0 50 EHAA C[C@H](NC(=S)N1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1)c1ccccc1 242047981 VRTMGQLBDBUGCZ-VXNCWWDNSA-N 345.556 3.959 0 50 EHAA O=C1[C@@H]2C=CO[C@@H]2[C@@H]2c3ccccc3CC[C@H]2N1Cc1ccccc1 247710692 JCGKMYFDJWLEOE-NCYKPQTJSA-N 331.415 3.656 0 50 EHAA COc1cc(N2CCOC(C)(C)C2)ccc1N[C@H]1C[C@H](C)O[C@H](C)C1 252511492 HHGVACGMAFAVDY-MUJYYYPQSA-N 348.487 3.678 0 50 EHAA Cc1cnc([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)s1 253427092 FGNJYPOUTZAKOX-ZDUSSCGKSA-N 346.500 3.502 0 50 EHAA Cc1oc(CN(C)C(=O)C2(c3cccc(F)c3)CCC2)cc1C(=O)O 299747807 FDORBVKGTYZXTM-UHFFFAOYSA-N 345.370 3.506 0 50 EHAA Cc1n[nH]cc1CN(C)C(=O)Nc1cccc(OC2CCCC2)c1 299781057 DTOWFFSPAVRTFA-UHFFFAOYSA-N 328.416 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3.785 0 50 EHAA Cc1ccsc1-c1nccn1Cc1noc(Cc2ccccc2)n1 72448061 UGMNZCHXERRPPQ-UHFFFAOYSA-N 336.420 3.942 0 50 EHAA CN(C)C(=O)c1ccc(N2CCC[C@@H](CCc3ccccc3)C2)nc1 72481397 AYHLMYBWJBLTCK-SFHVURJKSA-N 337.467 3.633 0 50 EHAA Cc1cc([C@H]2CCCN2Cc2nnc(-c3cccc(F)c3)o2)on1 75640499 IYGMRPJVPDZTBJ-CQSZACIVSA-N 328.347 3.509 0 50 EHAA c1[nH]c(CC2CCCC2)nc1CN1CCCC[C@H]1CCN1CCCC1 77505509 GRZRUDPRBVEAHF-FQEVSTJZSA-N 344.547 3.983 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)N[C@H](C)Cc3cncs3)c2c1 77541214 GLXSYJRGIQFJTH-CYBMUJFWSA-N 339.464 3.978 0 50 EHAA CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@@H]1CCc2ccccc21 82166625 HISUBRUMCYGANR-HXUWFJFHSA-N 349.409 3.700 0 50 EHAA CCCO[C@H]1CCCN(C(=O)Nc2cc(-c3ccccc3)nn2C)C1 96162188 RKUFCHWHRRIPRL-INIZCTEOSA-N 342.443 3.510 0 50 EHAA COc1ccc(NC(=O)N2CCCN(C3CCCCC3)CC2)c(F)c1 96164824 ZGFXNEHTEQMTOO-UHFFFAOYSA-N 349.450 3.707 0 50 EHAA COc1ccc([C@H]2CCCN2C(=O)Nc2ccncc2F)cc1OC 184228925 KOBHSJRSTIGIFN-OAHLLOKOSA-N 345.374 3.607 0 50 EHAA Cn1nccc1/C=C(\Cl)c1nc2cc(Br)ccc2[nH]1 187580597 ASCFOAVXBVXQAI-YFHOEESVSA-N 337.608 3.796 0 50 EHAA CCOc1cccc2[nH]cc(CC(=O)N[C@H]3CC34CCCCC4)c12 189712658 PUNVWKBQDFENSV-KRWDZBQOSA-N 326.440 3.948 0 50 EHAA O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccc[nH]1 193163523 KFUVOGHIXAXKBQ-UHFFFAOYSA-N 327.771 3.894 0 50 EHAA COc1ccc(-c2ccc(CN3CCN4CCCC[C@@H]4C3)o2)cc1 216282078 NIKDFKMJBRWTJV-QGZVFWFLSA-N 326.440 3.625 0 50 EHAA O=C(NCc1ncnn1-c1ccccc1)c1ccc(Cl)c(Cl)c1 225608702 UHPXWVWLDLNSCT-UHFFFAOYSA-N 347.205 3.504 0 50 EHAA COC(=O)/C(=C\c1cccc(C(F)(F)F)c1)NC(=O)OC(C)(C)C 230843223 IOYDWMDCGMTLSG-FMIVXFBMSA-N 345.317 3.744 0 50 EHAA COc1ccc2nc(NC(=O)c3nc(Cl)sc3C)sc2c1 239636976 BHWUGPPVQPZXQQ-UHFFFAOYSA-N 339.829 3.976 0 50 EHAA C[C@H]1CCN(c2nnc(C3CC3)n2C[C@H]2CCCCO2)CC1(C)C 240225354 DHJARAWFGKVSGV-GOEBONIOSA-N 332.492 3.597 0 50 EHAA Cc1cc([C@@H]2CCCN2CC(=O)Nc2nc(C(C)(C)C)cs2)no1 244602039 DWQFOJGQAYXXCG-ZDUSSCGKSA-N 348.472 3.513 0 50 EHAA Cc1cnc(NC(=O)c2ccc3ncoc3c2)c(Br)c1 252497246 QCEXMZLZPNHXQQ-UHFFFAOYSA-N 332.157 3.546 0 50 EHAA CC1(C)CCc2ccccc2[C@@H](NCC2CCS(=O)(=O)CC2)C1 253433546 YCHMHZBNGPYJSS-SFHVURJKSA-N 335.513 3.505 0 50 EHAA Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 266786929 HRJWDCZCCXULME-INMHGKMJSA-N 344.459 3.603 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1ccc(C(C)(C)C)s1 331576129 JEDUIACPHGPXJO-ZDUSSCGKSA-N 347.484 3.599 0 50 EHAA Cc1oc2ccccc2c1CNC(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 332838725 AQCMHHXIFWUPHE-ZWKOTPCHSA-N 342.439 3.840 0 50 EHAA Cc1nc(C(C)(C)C)sc1C(=O)N(C)Cc1cnc(C(C)C)nc1 337714847 GVGCJODNTGUIMK-UHFFFAOYSA-N 346.500 3.935 0 50 EHAA CSC1(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)CCC1 345419527 REEGDIPGFOLQCO-UHFFFAOYSA-N 335.444 3.533 0 50 EHAA Cc1cccc(C2(NC(=O)c3occ4c3CCOC4)CCCC2)c1 375664049 MDLAJSVLLTYRBP-UHFFFAOYSA-N 325.408 3.860 0 50 EHAA O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1c[nH]nc1-c1ccc(F)cc1 463992253 TVZGPIIDKOTDCZ-QAPCUYQASA-N 335.382 3.577 0 50 EHAA C[C@H](CC(=O)Nc1ccccc1CN1CCOCC1)CC(C)(C)C 614996717 XZSYNLMWMWDOID-MRXNPFEDSA-N 332.488 3.920 0 50 EHAA O=C(NCc1cccc(Cl)c1Cl)c1nnc(O)c2ccccc12 642006681 DVTAMCZXBFEWGH-UHFFFAOYSA-N 348.189 3.572 0 50 EHAA COC(=O)Nc1ccc(CCNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 737594097 FRLVCVKMMDRRMR-SJORKVTESA-N 344.455 3.762 0 50 EHAA Cc1cccc(C)c1N[C@H](C)C(=O)NCCCCN1CCCCCC1 820631923 FGBYYVYXWVWHDK-LJQANCHMSA-N 345.531 3.876 0 50 EHAA OC[C@@H]1CCC[C@@H](Nc2nc(-c3cccnc3)nc3ccccc23)C1 840386575 QFBFMDRHPIYBSR-GDBMZVCRSA-N 334.423 3.655 0 50 EHAA CCc1nccn1C[C@@H](C)NCc1c[nH]nc1-c1ccc(Cl)cc1 1506427693 ZCSCKKFHPWZZCM-CYBMUJFWSA-N 343.862 3.667 0 50 EHAA CC(C)(C)c1csc(CNc2ncccc2C(=O)N2CCCC2)n1 1704313384 MFAQFZXJCQFPLT-UHFFFAOYSA-N 344.484 3.684 0 50 EHAA C[C@@]1(O)CCOC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 1704315894 QHGVJTGYYNXDML-MRXNPFEDSA-N 343.389 3.601 0 50 EHAA O=C(N[C@H]1CCCCCC[C@@H]1O)c1cccc(-c2ccc(O)cc2)c1 1857677092 WWOIJWJYNAWJPB-PMACEKPBSA-N 339.435 3.873 0 50 EHAA CC(C)n1cnnc1[C@H](C)n1ccnc1-c1cccc2ncccc12 1857683601 XTIZZFZFAKPICH-AWEZNQCLSA-N 332.411 3.880 0 50 EHAA Cc1ccc2ncccc2c1-c1nccn1C[C@@H]1CC2CCN1CC2 1857692608 MHWSQLOAIJXNMA-KRWDZBQOSA-N 332.451 3.891 0 50 EHAA Cc1cc(-n2nc([C@@H](C)O)nc2C2CC2)nc2cc(Cl)ccc12 1875246383 PDHMWCUKUHKQMS-SNVBAGLBSA-N 328.803 3.708 0 50 EHAA Cc1nc(-c2cccc(NCc3cn(C)nc3C(F)F)c2)[nH]c1C 1875284013 JNSGSJYWJWIZGB-UHFFFAOYSA-N 331.370 3.977 0 50 EHAA COc1ccc2nc(C(F)(F)F)[nH]c(=N[C@@H]3CC[C@@H](C)C3)c2c1 1875357785 WSIZLHZXGJEMIK-NXEZZACHSA-N 325.334 3.680 0 50 EHAA CC1=C(C(=O)N2CCC[C@@H]([C@@H]3CCN(C(=O)CC(C)C)C3)C2)CCC1 1875358474 XNDBXRQJORLVNN-QZTJIDSGSA-N 346.515 3.620 0 50 EHAA Fc1cc(F)c2c(c1)[C@@H](Sc1nnnn1-c1ccccc1)CC2 2325701147 VPQQIXFVLGSCQV-HNNXBMFYSA-N 330.363 3.720 0 50 EHAA COc1ccc(-c2ccc(=O)n(Cc3c(F)cccc3Cl)n2)cc1 264037 UCSMNYUVUXWFEY-UHFFFAOYSA-N 344.773 3.760 0 50 EHAA Cc1ccc(C(=O)COC(=O)c2ccc(Br)cc2)cc1 288966 LUTBIAKLZYUXKE-UHFFFAOYSA-N 333.181 3.797 0 50 EHAA biogenic CCN1C(=O)c2ccc(-c3nc4cc(Cl)ccc4o3)cc2C1=O 367757 NMJWLCMPVNEENP-UHFFFAOYSA-N 326.739 3.764 0 50 EHAA CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 465092 HWQPZVGGVABGDL-AWEZNQCLSA-N 326.396 3.668 0 50 EHAA CN(C)c1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 532690 ACINZWUJXQERNG-UHFFFAOYSA-N 349.463 3.951 0 50 EHAA CC(C)(C)C(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12 614806 RVUYFYNIENPZIO-UHFFFAOYSA-N 338.407 3.780 0 50 EHAA CCOC(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 614952 WKGOQBDQPOQPMK-UHFFFAOYSA-N 335.762 3.837 0 50 EHAA Cc1cc(C)n2nc(C(=O)Nc3ccc(Cl)cc3Cl)cc2n1 2749218 YEOPGVZYWRPBQX-UHFFFAOYSA-N 335.194 3.905 0 50 EHAA COc1cc(C(=O)Nc2ccc(Cl)cc2C)cc(OC)c1OC 3553956 IMZPUHAYJAWGCM-UHFFFAOYSA-N 335.787 3.927 0 50 EHAA COc1cc2c(c(OC)c1)[C@H](c1ccccc1OC(C)C)CC(=O)N2 4488829 WSOOYEKZDXEFIA-HNNXBMFYSA-N 341.407 3.965 0 50 EHAA COc1ccc(Cl)cc1NC(=O)c1cc2ccccc2oc1=N 6761826 SFPABMNNKUWQCU-UHFFFAOYSA-N 328.755 3.827 0 50 EHAA CC(C)Cc1noc(-c2ccc(N[C@@H](C)Cc3cccnc3)nc2)n1 15064335 CXRDZEDSHLTPNE-AWEZNQCLSA-N 337.427 3.768 0 50 EHAA Cc1cc(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)cc(C)c1Cl 15685045 DRPZDBYGBLRKOR-BZUAXINKSA-N 325.880 3.959 0 50 EHAA Cc1nn(C)c(C)c1CNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 18166487 HHAWPMIDPHDEPU-LGMBCPCJSA-N 329.488 3.650 0 50 EHAA O=C(c1ccc(Cl)cc1)[C@H](CN1CCOCC1)c1ccccc1 19642022 BQYJRVUFRKAHQR-GOSISDBHSA-N 329.827 3.639 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2F)cc1C 20252313 KSFJXYYBBZMIDV-SFHVURJKSA-N 340.398 3.686 0 50 EHAA CC(C)OCCCNC(=O)c1cccc(NCc2ccc(F)cc2)c1 55283061 DZAWRXHIWOQCBL-UHFFFAOYSA-N 344.430 3.983 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N2CCC[C@@H]2c2ccccn2)c1 72448271 AVEYEBWCJZKTJG-LJQANCHMSA-N 338.451 3.762 0 50 EHAA CN(C[C@H]1CCCCO1)c1cc(-c2ccc(F)cc2)nc2ccnn12 72477216 OKBLUOBAEFVACR-MRXNPFEDSA-N 340.402 3.541 0 50 EHAA O=S(=O)(c1c(F)cccc1F)N1CCCCC[C@@H]1c1ccco1 77286630 XWMVJAZJSKFYLY-CQSZACIVSA-N 341.379 3.864 0 50 EHAA Cc1c([C@@H](C)NC(=O)C(C)(C)n2cccc2)cnn1-c1ccccc1 91793241 IRBWVUVCQYZNJK-OAHLLOKOSA-N 336.439 3.595 0 50 EHAA Cc1[nH]c2c(F)cccc2c1CC(=O)N[C@@H]1COC2(CCCCC2)C1 91915184 BFYOXEIOCKRMNK-AWEZNQCLSA-N 344.430 3.766 0 50 EHAA Cc1cncc(NC(=O)N[C@H](CCO)c2ccc(C(C)C)cc2)c1 97514294 XOAPRNMKPSOBBX-GOSISDBHSA-N 327.428 3.759 0 50 EHAA FC(F)(F)c1ccn(-c2ccc(CNc3nc(C4CC4)no3)cc2)n1 119868336 GZXWAYWKRIKERX-UHFFFAOYSA-N 349.316 3.764 0 50 EHAA CCO[C@H]1C[C@H](N(C)C(=O)c2cccc3c2ccn3C)C12CCCC2 170637052 YHVRNHURHBDIPM-OALUTQOASA-N 340.467 3.988 0 50 EHAA C[C@@H](NC(=O)[C@](C)(N)C1CC1)c1ccc(Oc2ccccc2)c(F)c1 170681258 SSKFGYRUBWWYTQ-ZUOKHONESA-N 342.414 3.923 0 50 EHAA COc1ccccc1/C(C)=C/C(=O)NCc1ncc(-c2ccccc2)[nH]1 171192985 UZEZABRQQNLNGV-NTCAYCPXSA-N 347.418 3.805 0 50 EHAA Cc1nn(-c2ccccc2)cc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C 181239558 ICQVEROZFGUBOO-BFUOFWGJSA-N 333.391 3.684 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(F)cc1F 183176635 MICIACXQABVSBR-QLJPJBMISA-N 348.397 3.912 0 50 EHAA CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cc3ccccc3o2)C1 190490862 HXAXNFOBONMIMR-SFHVURJKSA-N 335.451 3.782 0 50 EHAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1cc(Cl)ccc1OC 219827552 QWGNTHHFMKZHGH-UHFFFAOYSA-N 349.818 3.661 0 50 EHAA COc1ccc(C(=O)N2CCCN(C[C@@H](C)CC(C)C)CC2)cc1 225627275 CJOOAAHVTPUKAP-KRWDZBQOSA-N 332.488 3.525 0 50 EHAA FC(F)c1cccc(Br)c1I 238701986 CBMQECQKFLYDIY-UHFFFAOYSA-N 332.913 3.991 0 50 EHAA Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@H]3Cc4cccc(F)c4O3)C2)cc1 241795525 RZXAREXRLPQBEA-LSBZLQRGSA-N 339.410 3.842 0 50 EHAA Cc1ccsc1CN(Cc1noc([C@H]2CCCO2)n1)CC(C)C 244734738 NKZTXUYJRWTPHR-CQSZACIVSA-N 335.473 3.949 0 50 EHAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)N[C@@H](CCCO)c1ccccc1 246443251 DOXJTXMRGXZZNZ-XGXHKWSGSA-N 330.472 3.863 0 50 EHAA CCc1nc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)no1 247859822 ZFNBFZMYWLLBJU-MGPQQGTHSA-N 345.468 3.512 0 50 EHAA O=C(Nc1ccc(Cl)nc1)[C@@H](Cc1ccccc1)n1cccc1 253414923 ZBRVEALVCURNDA-MRXNPFEDSA-N 325.799 3.959 0 50 EHAA CN(C(=O)Cc1n[nH]c2ccccc12)[C@H]1CC[C@@H](C(F)(F)F)CC1 290738263 XDOGRSWAGDRCLW-TXEJJXNPSA-N 339.361 3.685 0 50 EHAA Cc1ccc(CC[C@@H](C)NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)o1 377892235 BMFYHDBLLAFLLY-CZUORRHYSA-N 330.432 3.569 0 50 EHAA CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCO[C@H](c2nccn2C)C1 408520835 ZRHXMLQLHXHXFS-SQNIBIBYSA-N 347.503 3.753 0 50 EHAA CCN(Cc1ccc(OC)cc1)C(=O)Cc1noc2ccc(F)cc12 414831862 QDEATZOUXVWZBZ-UHFFFAOYSA-N 342.370 3.567 0 50 EHAA NS(=O)(=O)c1cc(-c2ccccc2OC2CCCCC2)cs1 904750948 COCKHIYXBCASPP-UHFFFAOYSA-N 337.466 3.774 0 50 EHAA COc1cccc([C@@H](C)N(C)Cc2ccc(OC)c(C(=O)O)c2)c1 1506406984 HYLDJVCHVLCAHJ-CYBMUJFWSA-N 329.396 3.595 0 50 EHAA CC1=CC2(CCN(C[C@@H](C)Cc3ccc4c(c3)OCO4)CC2)OCC1 1704304442 RLYOJYZLPIRZMY-KRWDZBQOSA-N 343.467 3.795 0 50 EHAA NC1(c2noc(C=Cc3cccc(Br)c3)n2)CCCC1 1857530802 XTDOPYLOKIQQRH-UHFFFAOYSA-N 334.217 3.731 0 50 EHAA COc1ccc(CN2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cc1 1857709334 RLZWRJZUOLVVPU-NNWRFLSQSA-N 337.463 3.653 0 50 EHAA CN(C(=O)CCc1ncc(F)cn1)[C@H]1CCCC[C@H]1c1ccccc1 1875284497 XFCZIUSMVITKQR-ROUUACIJSA-N 341.430 3.733 0 50 EHAA N[C@H](C(=O)Nc1cnc(-c2cccc(F)c2)nc1)C1CCCCCC1 2325853860 DZNWBKUESNUHBG-KRWDZBQOSA-N 342.418 3.519 0 50 EHAA C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)CC[C@@H]1CCCN(C)C1 2325875239 KUAVNGHAIHKEKN-LLGFUMIMSA-N 328.500 3.938 0 50 EHAA CCCCc1nc(CN2CCC(OC(F)(F)F)CC2)c(Cl)[nH]1 2356140440 JDKAUDGOKYXVBQ-UHFFFAOYSA-N 339.789 3.907 0 50 EHAA CC[C@@H](C)Cc1nc(-c2ccnn2C(C)C)n(C2CCN(C)CC2)n1 2356145310 KVEUUDXEMUDEKC-OAHLLOKOSA-N 344.507 3.578 0 50 EHAA COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1 3767 DJEIHHYCDCTAAH-UHFFFAOYSA-N 339.347 3.653 0 50 EHAA in-man O=C1C(Cl)=C(Nc2ccccc2)C(=O)N1c1cccc(Cl)c1 122030 MSEAITVQOSYMLX-UHFFFAOYSA-N 333.174 3.776 0 50 EHAA COc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Br 171021 LVMFYFQGHFZRJN-UHFFFAOYSA-N 341.592 3.758 0 50 EHAA O=C(N[C@@H]1CCSC1=O)c1cc(-c2ccccc2)nc2ccccc12 183879 VLQNVUNIXQTCDX-QGZVFWFLSA-N 348.427 3.664 0 50 EHAA CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2)CC1 197045 VOIHGAVMVPVGTC-SFTDATJTSA-N 349.478 3.571 0 50 EHAA Nc1c(C(=O)NCc2ccccc2)sc(=S)n1-c1ccccc1 211075 OEVZPPUOOMVSGQ-UHFFFAOYSA-N 341.461 3.780 0 50 EHAA COc1cc(NC(=S)NCc2ccc(Cl)cc2)cc(OC)c1 306290 XVTWQEPZGLWELC-UHFFFAOYSA-N 336.844 3.844 0 50 EHAA COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccncc2)cc1 351424 IOGCOKFVONGSPT-UHFFFAOYSA-N 347.374 3.595 0 50 EHAA COc1ccc(/C=C/C(=O)Oc2cc(OC)ccc2C(C)=O)cc1 463281 YPUXXKLUJDALGA-IZZDOVSWSA-N 326.348 3.525 0 50 EHAA CCOc1ccccc1NC(=O)CCCOc1ccc(OC)cc1 1778193 UYRORROXCRAQQB-UHFFFAOYSA-N 329.396 3.892 0 50 EHAA O=C(O)c1ccc(OCCCCCOc2ccc(C(=O)O)cc2)cc1 2529752 ZYCRTOPQKAMKGM-UHFFFAOYSA-N 344.363 3.711 0 50 EHAA Cc1nc(N2CCC[C@H](C)C2)nc2c1C(=O)C[C@@H](c1ccco1)C2 9483744 XPVWTNBMFRKEBU-JSGCOSHPSA-N 325.412 3.527 0 50 EHAA CC[C@@H]1CN(Cc2cccc(OC)c2)Cc2cc(OC)ccc2O1 11881876 JMQHXMCEZJSAOD-QGZVFWFLSA-N 327.424 3.877 0 50 EHAA COc1ccccc1[C@@H](C)N(C)c1nncc(-c2ccc(F)cc2)n1 12711278 WUICFAYEJHPKMT-CYBMUJFWSA-N 338.386 3.884 0 50 EHAA Cc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)no1 13327284 SIUSQPRTVAWAER-UHFFFAOYSA-N 348.424 3.741 0 50 EHAA CCCc1ncc(CN[C@@H]2CCCN(CC3CCCCC3)C2)cn1 19228620 PAHPPMYYXYEKCS-LJQANCHMSA-N 330.520 3.563 0 50 EHAA Cc1ccccc1CN1CCN(C(=O)Nc2ccc(F)cc2F)CC1 20418545 MFTVTVPZOQOIHI-UHFFFAOYSA-N 345.393 3.623 0 50 EHAA Fc1cccc(Cl)c1-c1nn2c(-c3cccnc3)nnc2s1 40266220 AIZBAWLCJMXTPX-UHFFFAOYSA-N 331.763 3.707 0 50 EHAA Cc1noc(C)c1CN(C)C(=O)c1csc(-c2cccs2)n1 46408214 QURRQOPANFIUPV-UHFFFAOYSA-N 333.438 3.749 0 50 EHAA Cc1ccc(NC(=O)CC(=O)N(C)Cc2sccc2C)c(C)c1 55060571 YGHFBGYULIHNRH-UHFFFAOYSA-N 330.453 3.661 0 50 EHAA Cc1cnccc1-n1nc(C(C)C)nc1Cc1ccc(O)c(F)c1 65468657 QNKLMLHONCQWCL-UHFFFAOYSA-N 326.375 3.530 0 50 EHAA CCc1ccc(-c2nccn2CC(=O)Nc2cc(F)ccc2C)o1 67803220 CTSKENKEOCTAGT-UHFFFAOYSA-N 327.359 3.792 0 50 EHAA O=C(c1n[nH]cc1Cl)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71764437 ILCJQEGGOIMMHS-ZDUSSCGKSA-N 335.810 3.687 0 50 EHAA CC(C)c1nnc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)o1 72150652 PCUBRARVUNQHAI-CQSZACIVSA-N 329.379 3.546 0 50 EHAA CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(C(F)(F)F)cc2)C1 72366076 OFLVGTQESIIGGB-ZDUSSCGKSA-N 330.350 3.587 0 50 EHAA CCCc1cc(NCc2cc(-c3ccccc3)n[nH]2)n2nccc2n1 72434995 ZWLZJPNBDDKLEA-UHFFFAOYSA-N 332.411 3.684 0 50 EHAA Cc1cc(C)n(-c2ccc(C(=O)NCc3nc4ccccc4o3)cc2)n1 77322643 HRSKTWDFQCCBBA-UHFFFAOYSA-N 346.390 3.560 0 50 EHAA CC(=O)c1cccc(CN2CCCN(C3Cc4ccccc4C3)CC2)c1 77354508 FDOGQLIPIYBSQA-UHFFFAOYSA-N 348.490 3.564 0 50 EHAA COCCn1cncc1CN1CCCC[C@H]1CCc1cccs1 77420474 SXUVMAJINHNZNO-INIZCTEOSA-N 333.501 3.578 0 50 EHAA Cc1c(-c2nc(CC3CCN(C)CC3)no2)oc2c(F)cccc12 77485668 XKXWKIYFRXLJAL-UHFFFAOYSA-N 329.375 3.815 0 50 EHAA O=C(c1cn2cc(Cl)cnc2n1)N1CCCCC[C@@H]1c1ccco1 82106802 KBWCAMWGLYNCDD-CQSZACIVSA-N 344.802 3.733 0 50 EHAA CC(C)(C)NC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F 91636142 ZWHRVUITPCFETP-AWEZNQCLSA-N 348.397 3.626 0 50 EHAA CC(C)n1ccnc1CN1CCC[C@@H](c2cccc(C(=O)O)c2)C1 95384455 YEWKTIMTHWJWEP-QGZVFWFLSA-N 327.428 3.542 0 50 EHAA Cc1cscc1NC(=O)NCCCN1CCc2ccccc2C1 123900565 JCUSBDQTLVTHEG-UHFFFAOYSA-N 329.469 3.626 0 50 EHAA Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(C)(C)c1cccc(F)c1 134860230 AAPDEJQMLXSTRO-QGZVFWFLSA-N 343.446 3.817 0 50 EHAA CCCc1ncc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)s1 173079251 RQHQDICUTLNBMJ-AWEZNQCLSA-N 332.444 3.940 0 50 EHAA CC(C)c1noc(-c2ccnc(NC[C@H](O)c3cccc(F)c3)c2)n1 174703110 RMNFMBKUSQEIJA-HNNXBMFYSA-N 342.374 3.540 0 50 EHAA Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cc1O 180641414 VBAQMHXLXOVQJS-UHFFFAOYSA-N 347.374 3.600 0 50 EHAA Fc1ccccc1OCc1noc(C[C@@H]2OCCc3ccccc32)n1 188312395 KDSIXBUJQSIDTF-KRWDZBQOSA-N 340.354 3.644 0 50 EHAA COc1ccccc1CNc1ccc(C(=O)NCC(F)(F)F)cc1 195111406 ZFOYRKNRIBDJMU-UHFFFAOYSA-N 338.329 3.599 0 50 EHAA O=C(NC1CCCCC1)N(Cc1ccccc1)CC1CCNCC1 212374765 LNOPAJNGRAPFKZ-UHFFFAOYSA-N 329.488 3.531 0 50 EHAA CC(C)(C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1ccccc1 220492111 AGTKJMVMSFQZIQ-MANSERQUSA-N 327.468 3.674 0 50 EHAA CC[C@@H](NC(=O)C(=O)N[C@H](c1ccccc1)C1CC1)c1ccccc1 239359563 AESBBTDYKQTRKS-RTBURBONSA-N 336.435 3.521 0 50 EHAA Cc1ccc(C[C@H](NC(=O)[C@H](C)c2ccccn2)c2ccccn2)cc1 241739146 RAJXZCKKVZJGOY-UTKZUKDTSA-N 345.446 3.989 0 50 EHAA CC(C)c1cc([C@@H]2CCCN2CCC(=O)NCc2cccs2)no1 244708022 KMCHQOMJGIRHKX-INIZCTEOSA-N 347.484 3.703 0 50 EHAA CCc1nc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccc(C)s3)C2)no1 247859815 ZFNBFZMYWLLBJU-MCIONIFRSA-N 345.468 3.512 0 50 EHAA CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccnc1 248251765 MKSMCUCYOZBHKR-LSZYVWPRSA-N 344.842 3.731 0 50 EHAA C[C@@H]1CCOCCN1C(=O)Nc1cccc(Cl)c1Br 253431382 RLNMJQZCRBXDBC-SECBINFHSA-N 347.640 3.745 0 50 EHAA C[C@H]1CC[C@H](C(=O)O)CN1C(=O)CCc1ccc(Cl)c(Cl)c1 263209498 NIGHYRAISIOPNS-JQWIXIFHSA-N 344.238 3.638 0 50 EHAA Cc1nc(C)c([C@H](C)N(C)C(=O)CCc2c(C)noc2Cl)s1 264439780 PYIMWPRNBAOTIF-JTQLQIEISA-N 341.864 3.862 0 50 EHAA CO[C@@H]1CCC[C@H](CC(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)C1 280265664 VHEHSKRXUIACEE-YQVWRLOYSA-N 333.447 3.812 0 50 EHAA Cc1csc(C(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)c1Cl 287656571 BHWPDQGAZQMGPE-LBPRGKRZSA-N 341.782 3.629 0 50 EHAA O=C(Nc1ccc2[nH]ccc2c1)N1CCCC[C@@H]1CCn1cccn1 299787145 VKNPKAFWYBPLHM-QGZVFWFLSA-N 337.427 3.841 0 50 EHAA CC(C)Cn1cc(CN2[C@@H](C)[C@H](c3ccccc3)OC[C@H]2C)cn1 328593389 OOGHYNMDFYQIHA-FUHIMQAGSA-N 327.472 3.890 0 50 EHAA Cc1ccc(NS(=O)(=O)c2cnc3ccc(F)cc3c2)c(F)c1 328595857 HAUPDOKFDCSGAE-UHFFFAOYSA-N 334.347 3.622 0 50 EHAA CCn1cc([C@H]2OCCC[C@@H]2NC2CC(c3ccc(F)cc3)C2)cn1 328629222 HZHFZLOPTWURCW-OSXBXZONSA-N 343.446 3.798 0 50 EHAA Cc1nc(C)c(C)c(N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)n1 351293884 YLEKUBWLIAQTJE-GFCCVEGCSA-N 339.365 3.528 0 50 EHAA Cc1oc(CN(C)C(=O)c2csc3ccccc23)cc1C(=O)O 362746560 IRXVMXGOYHKRRU-UHFFFAOYSA-N 329.377 3.773 0 50 EHAA O=C(CC1CCNCC1)N1CCC[C@H]1c1nc(C2CCCCC2)co1 372098518 KRSKEORBIYTKOW-SFHVURJKSA-N 345.487 3.776 0 50 EHAA CC(C)(C)OC(=O)N1CCc2cc(N[C@@H]3CCCOCC3)ccc21 393427508 QNUHLBSWJQVDQR-OAHLLOKOSA-N 332.444 3.965 0 50 EHAA COC[C@@H]1CCCN(C(=O)c2ccc(-c3sc(C)nc3C)cc2)C1 426548494 JOKVLHITNFJOMO-OAHLLOKOSA-N 344.480 3.926 0 50 EHAA COC[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(F)c2F)cc1 426711967 BWUHNFWUZMVNKH-HNNXBMFYSA-N 331.362 3.883 0 50 EHAA O=C(NCCCn1ccc2ccccc21)[C@H](O)c1ccc(Cl)cc1 813368420 IMBCNEWRVOBFFH-GOSISDBHSA-N 342.826 3.535 0 50 EHAA CC[C@@H](NC(=O)N1CC=C(c2ccc(F)cc2)CC1)c1ncc(C)[nH]1 822650390 UQNSMHZKKNLAMX-QGZVFWFLSA-N 342.418 3.807 0 50 EHAA CC(C)CCOc1ccc(NC(=O)N2CCOCC[C@H]2C)cc1F 847253458 FJDVCHQGXSDLGO-CQSZACIVSA-N 338.423 3.893 0 50 EHAA CCn1ccnc1C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1(C)C 928390837 DQIYERZTJWTXFO-OAHLLOKOSA-N 331.847 3.965 0 50 EHAA CC(C)n1ccnc1C(=O)NCCc1c[nH]c2c(F)cc(Cl)cc12 1875316454 SIYHZIDGYYYIOR-UHFFFAOYSA-N 348.809 3.710 0 50 EHAA CCN(Cc1ccc(C(=O)Nc2cc(F)ccc2N)cc1)C1CC1 2325745472 FMBPSEPPIRJYKN-UHFFFAOYSA-N 327.403 3.645 0 50 EHAA Cn1ncc2ccc(-c3noc(-c4ccc5c(c4)CCC[C@@H]5N)n3)cc21 2325777168 JJRVGDLSOBVJKJ-KRWDZBQOSA-N 345.406 3.626 0 50 EHAA c1ccc([C@]2(NCc3cnc(-c4ccsc4)s3)CCNC2)cc1 2325825877 GFDVUDMOZOWHPQ-SFHVURJKSA-N 341.505 3.850 0 50 EHAA N[C@@H](CC1CCCCC1)C(=O)Nc1cnc(-c2cccc(F)c2)nc1 2325853540 SYJZAPKVPVPJNL-KRWDZBQOSA-N 342.418 3.519 0 50 EHAA COc1cc(NC[C@@H]2[C@H]3CCCCC[C@H]32)nc(C2CCOCC2)n1 2325865139 OSLHQGZYPNFZFQ-ZSHCYNCHSA-N 331.460 3.617 0 50 EHAA CCCN1CCC[C@@]2(CCCN2Cc2ccc(C)c(F)c2F)C1=O 2356139661 HDKICKJJAHQQMA-LJQANCHMSA-N 336.426 3.640 0 50 EHAA O=C(NCc1cccnc1)c1ccc(COc2ccc3c(c2)CCC3)o1 46838 ZNDMXWACGLNQAS-UHFFFAOYSA-N 348.402 3.672 0 50 EHAA O=S(=O)(c1ccccc1)n1ccc2cc(Br)ccc21 158568 XUKSXJWRFMTAPZ-UHFFFAOYSA-N 336.210 3.641 0 50 EHAA in-vitro CCc1cc(C(=O)O)c(NC(=O)/C=C/c2ccc(OC)cc2)s1 266489 OURUQWHDCYXNFZ-RMKNXTFCSA-N 331.393 3.669 0 50 EHAA COC(=O)CCc1ccc(CCCc2ccc(C(=O)OC)cc2)cc1 391492 TZHUNFPSNAWPLP-UHFFFAOYSA-N 340.419 3.754 0 50 EHAA COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 465323 REZOEQWPKQJIEE-CQSZACIVSA-N 329.396 3.727 0 50 EHAA COc1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc(OC)c1 472245 NMXDSGICZSAKEY-LLVKDONJSA-N 335.787 3.763 0 50 EHAA O=C(CSCC(=O)N1CCCCC1)Nc1ccc2ccccc2c1 1124389 IVVMDWSKFRPHLI-UHFFFAOYSA-N 342.464 3.524 0 50 EHAA O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1COc2ccccc2O1 2873794 NIJPEWLTJQLGMQ-ZDUSSCGKSA-N 346.795 3.728 0 50 EHAA Clc1cccc(OCc2nc(-c3ccc4c(c3)OCO4)no2)c1 4744854 XNBGIQVAMLREFS-UHFFFAOYSA-N 330.727 3.698 0 50 EHAA Cc1ccc(C(=O)N/C(=C\c2ccccc2)c2n[nH]c(=S)[nH]2)cc1 4807701 BNYWXVOZAWQDHM-PTNGSMBKSA-N 336.420 3.704 0 50 EHAA CC(C)C[C@@H](NC(=O)c1ccccc1Cl)c1n[nH]c(=S)n1C 5817360 MBOVBROKXKCXHL-GFCCVEGCSA-N 338.864 3.648 0 50 EHAA CCOCCOc1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 10325569 YXDWFXFPXSFEBV-INIZCTEOSA-N 343.423 3.816 0 50 EHAA Cc1ccc2c(c1)N(CC(=O)Nc1cccc3ccccc13)C(=O)CO2 10682055 OCXMTUDXHZUPLX-UHFFFAOYSA-N 346.386 3.512 0 50 EHAA CSCCc1n[nH]c2c1CN(Cc1ccc(F)cc1Cl)CC2 19770608 DMQXVWDXZZRKMX-UHFFFAOYSA-N 339.867 3.666 0 50 EHAA O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1 27647183 SNTCRRMCALVGNL-UHFFFAOYSA-N 346.434 3.585 0 50 EHAA biogenic,in-vitro Cc1nnc(NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)s1 47939216 KZYQWHKDXFVSIK-UHFFFAOYSA-N 330.335 3.529 0 50 EHAA CN(Cc1nc(-c2ccccc2)no1)Cc1ccnc2ccccc12 55060467 DQSNQJUDZPLVPD-UHFFFAOYSA-N 330.391 3.917 0 50 EHAA CC[C@@H](C)N(Cc1cccnc1)C(=O)C(=O)Nc1ccccc1Cl 55402538 IHVBBNMLLRYHMY-CYBMUJFWSA-N 345.830 3.501 0 50 EHAA CC[C@H](COC)n1cnc(-c2ccccc2)c1-c1cnn2cccnc12 65535779 KFKMMSKMTPZXTC-MRXNPFEDSA-N 347.422 3.857 0 50 EHAA COc1ccc2cc([C@H]3CN(Cc4cscn4)CCO3)ccc2c1 71405788 YDTHLAPROGYETI-LJQANCHMSA-N 340.448 3.878 0 50 EHAA Cc1ncncc1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 77298331 VABXTMQFFDWUPJ-UHFFFAOYSA-N 333.391 3.850 0 50 EHAA CCSc1ccccc1NC(=O)c1ccc(Cn2cccn2)o1 79027736 AYDKELYOPOGSJU-UHFFFAOYSA-N 327.409 3.889 0 50 EHAA CC[C@H]1CN(C(=O)c2cc3cccc(Cl)c3n2C)CCN1C(C)C 91416809 GKSWCELAEIVZQK-HNNXBMFYSA-N 347.890 3.777 0 50 EHAA Cc1cc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c(=O)[nH]c1C 91575166 NKJLXPZOEZJKBJ-GOSISDBHSA-N 342.414 3.888 0 50 EHAA CC(C)(CNC(=O)N1CC=C(c2cccs2)CC1)N1CCCCC1 117956179 BRXKTSNFBMBOBP-UHFFFAOYSA-N 347.528 3.811 0 50 EHAA Cn1c(CN[C@H]2CCCSC2)nc2cc(C(F)(F)F)ccc21 150970624 MCSOOFWZKURKJG-NSHDSACASA-N 329.391 3.577 0 50 EHAA CC(=O)c1ccsc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 170594748 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337.398 3.827 0 50 EHAA Cc1ncsc1CCNC(=O)CSCc1ccccc1Cl 55403651 YRJJVZHTAWLKOM-UHFFFAOYSA-N 340.901 3.697 0 50 EHAA C/C(=C\c1ccco1)CN1CCC(c2nnc3n2CCCCC3)CC1 65381411 FGRRNDXUBMLSED-JQIJEIRASA-N 340.471 3.880 0 50 EHAA c1ccc(-n2nc(C3CC3)nc2CCc2cn3ccccc3n2)cc1 65431172 XNYZOPGLZOVRPR-UHFFFAOYSA-N 329.407 3.578 0 50 EHAA COc1cc(C(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)ccc1F 67432025 FDWLPPACNMTDTR-UHFFFAOYSA-N 345.418 3.701 0 50 EHAA CCN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 71315127 HZYWZDXIDBVOGU-UHFFFAOYSA-N 326.421 3.883 0 50 EHAA CCCc1n[nH]cc1C(=O)N1CCC[C@H](CCc2ccccc2F)C1 71764213 IJOUHFQATUBUKL-OAHLLOKOSA-N 343.446 3.986 0 50 EHAA Cc1ccc(C2=NN(CN3CCCCC3)C(=O)[C@H]3CCCC[C@H]23)cc1 71782586 AZBSOQZPYUMIOP-OALUTQOASA-N 339.483 3.791 0 50 EHAA Cc1ccccc1OC[C@H]1CCCN(C(=O)Cc2cccc(O)c2)C1 72424219 ORGBELNJQKFIBQ-SFHVURJKSA-N 339.435 3.561 0 50 EHAA COc1ccc(-c2nc3c(C)cccc3cc2CN2CC[C@@H](O)C2)cc1 72429626 XWLHUKNTZOMYQF-LJQANCHMSA-N 348.446 3.785 0 50 EHAA CN(Cc1cccc2cccnc12)C(=O)c1ccccc1[C@H]1CCNC1 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IDJDYAJQCDOMBL-UHFFFAOYSA-N 336.479 3.885 0 50 EHAA Cc1cc(=O)cc(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)o1 299768995 KZBFFTRBOQJUTM-INIZCTEOSA-N 339.391 3.515 0 50 EHAA CC(C)c1ccc(C[C@@H]2CCN(C(=O)CCc3cncn3C)C2)cc1 328586493 LEKDUJWCXZGFCE-SFHVURJKSA-N 339.483 3.567 0 50 EHAA Cc1noc([C@@H]2CC[C@H](CNCc3cc4cc(C)c(C)cc4o3)O2)n1 328642258 YJMZJVDGIUVJPP-WBVHZDCISA-N 341.411 3.751 0 50 EHAA CN(C)Cc1nc(C(=O)N[C@@H](CC(C)(C)C)c2cccnc2)cs1 670470292 XKAIHHCXCGADAC-AWEZNQCLSA-N 346.500 3.507 0 50 EHAA O=C(Nc1nc(C2CCC2)cs1)c1cccn1Cc1ccncc1 769193799 OXIMIEFTZCWBHI-UHFFFAOYSA-N 338.436 3.908 0 50 EHAA CC(=O)c1cc(CC(=O)N2CCCC[C@@H]2c2nccs2)cs1 827939746 ZTYLDULSYVBSHV-CYBMUJFWSA-N 334.466 3.704 0 50 EHAA Cc1c(NC(=O)c2ccncc2Cl)cccc1C(=O)NC(C)(C)C 828172274 UICYBMVGBXLMMU-UHFFFAOYSA-N 345.830 3.824 0 50 EHAA O=C(O)c1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)cc1Cl 902495243 YVNQQIVCNGBCJS-SJORKVTESA-N 331.799 3.658 0 50 EHAA O=C(c1cc(C2CC2)oc1C1CC1)N1CCC[C@@H](c2cc[nH]n2)C1 930780715 WTGPDVPABCRKJN-CQSZACIVSA-N 325.412 3.777 0 50 EHAA CC(C)c1nnsc1C(=O)Nc1ccccc1CN1CCCCC1 952868907 BZMAYCUBSKHYRB-UHFFFAOYSA-N 344.484 3.900 0 50 EHAA CC1(C)C[C@@H](C(=O)Nc2ccc(OCc3ccccc3)nc2)CCO1 1336290594 PVEKEDDOAPBSEZ-INIZCTEOSA-N 340.423 3.804 0 50 EHAA CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)Cc1ccc(CO)cc1 1506400134 ATVYPOFXZBEDCU-JOCHJYFZSA-N 337.463 3.548 0 50 EHAA C[C@@H]1CN(C)CC[C@H]1NC(=O)Cc1ccc(C2CCCCC2)cc1 1875267671 VOBCQKDVZSWVLY-OXQOHEQNSA-N 328.500 3.733 0 50 EHAA C[C@H]1CCCCN1C(=O)c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 29177 FFRPXIHFEUDATH-HOTGVXAUSA-N 328.456 3.716 0 50 EHAA COCc1cc(C)nc2sc(C(=O)c3ccc(F)cc3F)c(N)c12 89690 NFYATEINICGPKS-UHFFFAOYSA-N 348.374 3.843 0 50 EHAA COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(C(C)=O)CC2 206969 KHIAPCKDMQGBOL-IBGZPJMESA-N 345.826 3.851 0 50 EHAA biogenic Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)cc1 226865 BRZQPRHKSQMCSZ-VXGBXAGGSA-N 325.290 3.550 0 50 EHAA CC(=O)N(c1cccc(C)c1)[C@@H]1SC(=O)N(c2ccccc2)C1=O 973215 NELKCNYFCQOAKP-QGZVFWFLSA-N 340.404 3.574 0 50 EHAA COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)cc1Cl 1100496 VOSXGJDAFOSKSO-LLVKDONJSA-N 335.787 3.763 0 50 EHAA CCOc1ccc([C@]2(C)N(O)[C@@H](CC)C(c3ccccc3)=[N+]2[O-])cc1 1132104 ZDBDMQMQRXWMFY-AZUAARDMSA-N 340.423 3.741 0 50 EHAA O=S(=O)(c1ccc(Cl)cc1Cl)n1ccc2cccnc21 1406795 NRUAXCBWOVICTL-UHFFFAOYSA-N 327.192 3.580 0 50 EHAA Nc1c(C(=O)c2ccc(Cl)cc2)cnn1-c1cccc(Cl)c1 2522160 FBHOBUMKBLYHSY-UHFFFAOYSA-N 332.190 3.992 0 50 EHAA Cc1cccc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c1 2814117 MLXRGROXFRMLOZ-UHFFFAOYSA-N 329.444 3.653 0 50 EHAA Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)cc2C(=O)O)c1 2881591 BIUKFYYMNLKLGP-UHFFFAOYSA-N 333.771 3.673 0 50 EHAA CCCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)cc2)cc1 2984917 MBUBSOGRMUKDCK-UHFFFAOYSA-N 344.436 3.611 0 50 EHAA CCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 4030106 QRWQELPLYVFZGD-UHFFFAOYSA-N 340.423 3.564 0 50 EHAA Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1cccc(C)c1C)C(=O)N2 4115919 IKQANOOXZICCOW-GOSISDBHSA-N 337.423 3.682 0 50 EHAA CCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1 5262282 CQJJBJVYAOOYBT-UHFFFAOYSA-N 325.817 3.712 0 50 EHAA Cc1ccc(NC(=O)N2CCN(CCc3ccccc3)CC2)c(C)c1 6731557 VJZRBYTVRWGLGF-UHFFFAOYSA-N 337.467 3.696 0 50 EHAA COC[C@H]1CCCCN1Cc1nc(-c2ccc(OC)cc2F)oc1C 12226733 BJXQRUUTVIMHSY-CQSZACIVSA-N 348.418 3.799 0 50 EHAA CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1c(C)noc1C 13327008 DVTILLGZUPGCQV-UHFFFAOYSA-N 336.413 3.905 0 50 EHAA CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NC(=O)CC2CC2)C1 14962536 DVYINBQBCLBXBS-KRWDZBQOSA-N 341.430 3.941 0 50 EHAA O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccccn1 15723900 GPIJCVFAHJMFJK-UHFFFAOYSA-N 349.781 3.721 0 50 EHAA O=C(N1CCN(C2CCCCC2)CC1)C12CC3CC(CC(C3)C1)C2 20160414 DSKPLRGRGPRPHQ-UHFFFAOYSA-N 330.516 3.680 0 50 EHAA Cc1cc(C)c(NC(=O)c2cn3c4c(cccc4c2=O)CC3)c(C)c1 33088781 ZPARDWGWWWHGSJ-UHFFFAOYSA-N 332.403 3.735 0 50 EHAA CC(C)=CCC[C@H](C)CN1CCC(n2cc(C(C)(C)O)nn2)CC1 55088905 URKKAUGXADBGRI-INIZCTEOSA-N 334.508 3.525 0 50 EHAA COc1cccc(-c2nc3ccc(C)cc3[nH]2)c1OCCCN(C)C 55327083 RDRYKGXKNOMYGI-UHFFFAOYSA-N 339.439 3.877 0 50 EHAA CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC(=O)C1 66054673 YFSAGUKUTJZFQM-UHFFFAOYSA-N 340.217 3.532 0 50 EHAA in-vitro CCCCc1ccc(CN2CCC[C@@]3(CCN(C(C)=O)C3)C2)s1 67588923 RORREGYDMLJOQR-LJQANCHMSA-N 334.529 3.925 0 50 EHAA CN(C)c1ccc(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)cn1 72134444 MVWATRITSRXOFG-KRWDZBQOSA-N 349.438 3.535 0 50 EHAA Cc1ccc2nc(C)cc(C(=O)N3CCC[C@H]3c3nonc3C)c2c1 77516764 XMDNGYQPMJDHNT-KRWDZBQOSA-N 336.395 3.520 0 50 EHAA COc1cccc([C@H]2CCCN2C(=O)CCc2scnc2C)c1 77541117 LUORFSIQWQZPQU-MRXNPFEDSA-N 330.453 3.756 0 50 EHAA C/C=C(\C)CN1CCC2(CC1)CC(=O)N(Cc1ccc(F)c(F)c1)C2 91270524 KERSDTWMUONQAC-CRKCGEKBSA-N 348.437 3.746 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2C)C1 91848792 YKDXKIADNHNHLK-CQSZACIVSA-N 331.847 3.885 0 50 EHAA CC(C)(C)c1nnc(NCc2ccc(C(=O)N3CCCCC3)cc2)o1 95383285 JJGXRKSHJSCADO-UHFFFAOYSA-N 342.443 3.605 0 50 EHAA Cc1cc(-c2nn(C)c(Cl)c2CN(C)Cc2ccc(C)o2)no1 97578958 VVOWDAUDMMENCL-UHFFFAOYSA-N 334.807 3.570 0 50 EHAA Cc1nc(-c2cccc(NC(=O)c3cc(Cl)ccc3F)c2)n[nH]1 126799373 JNMXHDSBYSQTTA-UHFFFAOYSA-N 330.750 3.825 0 50 EHAA c1cc(OCc2noc(C3CC3)n2)ccc1NC1CCSCC1 132311203 WWZTZXBTPTVFCM-UHFFFAOYSA-N 331.441 3.834 0 50 EHAA Cc1oc2nc(CN[C@@H]3CCC[C@H]3c3ccccc3)nc(N)c2c1C 133810768 XICBFCIABKVPGB-JKSUJKDBSA-N 336.439 3.848 0 50 EHAA Cc1cccc(N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 157341642 ACERPSHEVMLVIL-HNNXBMFYSA-N 338.386 3.963 0 50 EHAA Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC[C@H]1C[C@@H](C)O 170075789 DJPBPHIPZNNWEA-DOMZBBRYSA-N 345.468 3.886 0 50 EHAA CN(C(=O)[C@H]1CCCCN1Cc1ccccc1)C1Cc2ccccc2C1 222346524 OTACMNKIGLAQFK-JOCHJYFZSA-N 348.490 3.667 0 50 EHAA CN(C(=O)CCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 248038391 KCGWLZHYQRWVFW-NSISKUIASA-N 340.467 3.763 0 50 EHAA COc1cccc(CN(Cc2cccc(N)c2)C2CCC(O)CC2)c1 261708406 PGVUTNSISGVFLF-UHFFFAOYSA-N 340.467 3.583 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 299740077 VMXZXVHDVDMKLG-GOEBONIOSA-N 342.414 3.817 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c(C)n1C 299782703 VNGIPDDERNPILQ-HNNXBMFYSA-N 337.423 3.803 0 50 EHAA O=C(NCCCn1nccc1C1CC1)c1ccc(C(F)(F)F)cc1 299798124 PVHWBAWEKYJXLO-UHFFFAOYSA-N 337.345 3.599 0 50 EHAA O=C(c1snc(O)c1Cl)N1C[C@@H](c2ccccc2)C2(CCC2)C1 333945654 TVBDYRYLAUECEV-LBPRGKRZSA-N 348.855 3.912 0 50 EHAA Cc1c(NC(=O)N[C@H]2c3ccccc3O[C@H]2C)cnn1-c1ccccc1 377606515 LUVHBZURJGVKRP-IFXJQAMLSA-N 348.406 3.824 0 50 EHAA Cc1cc(Cl)c(C(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cc1C 431223178 ZTDMSZLTEURCLZ-WQVCFCJDSA-N 335.831 3.815 0 50 EHAA C[C@H](NC(=O)N(C)Cc1cnc[nH]1)c1cccc(Cl)c1Cl 660687736 ZKURRBDOSSMVOV-VIFPVBQESA-N 327.215 3.619 0 50 EHAA CC1(C)CCN(C(=O)NCCc2cnc(C3CC3)nc2)CC(C)(C)C1 664530640 UVAANSFINBSJSR-UHFFFAOYSA-N 344.503 3.754 0 50 EHAA CC[C@@H](NC(=O)c1cc2c(nc1O)CCCC2)c1nc(C)c(C)s1 670456728 UINJTEQNOUFVDK-CQSZACIVSA-N 345.468 3.620 0 50 EHAA COc1ccc(CN2CCc3sccc3C2)cc1Cn1cccn1 670469114 OFNFXOKQUZBPHD-UHFFFAOYSA-N 339.464 3.560 0 50 EHAA CCCCOc1ccc(C(=O)OC2([C@H]3CCOC3)CC2)cc1OCC 744165543 NYFZKZXHAJERIW-INIZCTEOSA-N 348.439 3.990 0 50 EHAA CCCn1c(C)nc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc21 823026489 QBHQDQOHSDNFFX-UHFFFAOYSA-N 337.379 3.736 0 50 EHAA Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@H]1CCCCN1C 823777501 COAPUZULAHDDSG-GOSISDBHSA-N 343.471 3.547 0 50 EHAA CCCC[C@H]1C=CCN1C(=O)Cc1ccc(NC(=O)C2CC2)cc1 1506412395 BXZAIIHYDSJGDP-SFHVURJKSA-N 326.440 3.535 0 50 EHAA c1ccc(CSCc2nnc3sc(-c4cccnc4)nn23)cc1 1772491198 KZQFVVJIUHZFDU-UHFFFAOYSA-N 339.449 3.681 0 50 EHAA Cc1csc2ncnc(NC3CC4(CCC(C(=O)O)CC4)C3)c12 1777484733 JPZKCCGDCSUDSQ-UHFFFAOYSA-N 331.441 3.835 0 50 EHAA CCOC(=O)[C@]1(CC)C[C@@H]2CC[C@H]1N2Cc1ccnc2ccccc12 1857679989 DFSGQCQWBDUECY-LDQXTDLNSA-N 338.451 3.931 0 50 EHAA CCN(C)C(=O)C[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1 1857723741 UCODLEHJUJWVQO-LBPRGKRZSA-N 335.835 3.566 0 50 EHAA C[C@@H](CC(=O)N1CC[C@@H](N)C[C@H]1C)c1ccc(C(F)(F)F)cc1 1875292096 WJYKPPVTZYQXBX-YWPYICTPSA-N 328.378 3.537 0 50 EHAA Cc1ccc(N(Cc2ccc3c(c2)CNCCO3)C(=O)C(C)C)cc1 1987951566 IBQANWBLIXQGOM-UHFFFAOYSA-N 338.451 3.666 0 50 EHAA COC(=O)c1cc(COc2ccccc2-c2nc[nH]n2)c(Cl)s1 2325853014 AFHTWGIBONDLOV-UHFFFAOYSA-N 349.799 3.552 0 50 EHAA CN(CCCc1ccccc1)C1=NC[C@@H](c2ccc(Cl)cc2)N1 2325864620 UKPPAVFPMVFWCY-SFHVURJKSA-N 327.859 3.905 0 50 EHAA COC1(c2ccccc2)CCN(C(=O)CCc2csc(C)n2)CC1 2356168796 NYTRPKFYQDCNDL-UHFFFAOYSA-N 344.480 3.548 0 50 EHAA CC(C)OC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1 83584 JPDDMZAETFWSGR-YXWAVELNSA-N 338.403 3.836 0 50 EHAA O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccccc2)cs1 88500 BWEWIIPFKWJTBX-UHFFFAOYSA-N 334.400 3.649 0 50 EHAA COc1cccc(C(=O)Nc2sc3c(c2C(=O)O)CCCC3)c1 90066 CRFITBLJZAUCAW-UHFFFAOYSA-N 331.393 3.586 0 50 EHAA CN1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 112207 ZATIXFIANBVNRV-UHFFFAOYSA-N 338.842 3.702 0 50 EHAA O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 120297 PVMNWEBZDZRLKJ-GFCCVEGCSA-N 348.324 3.697 0 50 EHAA CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3F)c(C)oc2c1 350916 SPUVPOMABOQPGO-UHFFFAOYSA-N 328.295 3.958 0 50 EHAA O=C(Nc1ccc(I)cc1Cl)c1ccco1 442495 MDSPFZOYZWDDEK-UHFFFAOYSA-N 347.539 3.790 0 50 EHAA C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)OCCO2 483859 ZWSDOYPMKGWGJT-NSHDSACASA-N 333.771 3.517 0 50 EHAA O=C(CSCC(=O)Nc1ccc(Cl)cc1)Nc1ccccc1 581431 XEKBAFGAYJFVKV-UHFFFAOYSA-N 334.828 3.650 0 50 EHAA CCCOC(=O)c1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1 1777882 PCRKBEPZDXVKCX-UHFFFAOYSA-N 343.379 3.523 0 50 EHAA CCOc1ccc(OCCCOc2cc(C=O)ccc2OC)cc1 2994622 DTAWDDZSNTZRJQ-UHFFFAOYSA-N 330.380 3.754 0 50 EHAA C[C@H](Sc1nnc(N)s1)C(=O)Nc1cc(Cl)ccc1Cl 3370543 DOOIQCBQRNBRMX-YFKPBYRVSA-N 349.268 3.546 0 50 EHAA CCC(=O)N[C@@H](c1ccco1)c1c(OC(C)=O)ccc2ccccc12 3902053 GIHFKFJHBYBMBE-FQEVSTJZSA-N 337.375 3.974 0 50 EHAA Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 4727282 DNHIAOIFEQFTKM-UHFFFAOYSA-N 337.223 3.710 0 50 EHAA CC(C)OCCCNc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O 4741292 UZJUMVZEKPOVNK-MRXNPFEDSA-N 339.439 3.616 0 50 EHAA Cn1nc(C(=O)NCc2ccccc2)c2c1-c1ccccc1SC2 6817734 UEZZMVROYAJGBF-UHFFFAOYSA-N 335.432 3.623 0 50 EHAA C=Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)cc1 11662954 AZFMZCCSLYZVRE-LJQANCHMSA-N 338.426 3.863 0 50 EHAA Cc1ccsc1C(=O)[C@H]1CCCN(Cc2cccc3c2OCO3)C1 12385743 QTMXVBACQSNESX-AWEZNQCLSA-N 343.448 3.880 0 50 EHAA COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)cc1OC 36620575 HHHHRLINHVVFGA-MRXNPFEDSA-N 329.371 3.820 0 50 EHAA Cc1cnn(Cc2cccc(F)c2)c1NC(=O)c1cc(F)cc(F)c1 55226709 ZSPOXOUYEMMZBQ-UHFFFAOYSA-N 345.324 3.909 0 50 EHAA CCc1ccccc1NC(=O)c1cccc(NC(=O)COC(C)C)c1 55270127 LKCWVEBUSJXZRQ-UHFFFAOYSA-N 340.423 3.865 0 50 EHAA COc1ccc2cc([C@H]3CN(c4nccc(C)n4)CCO3)ccc2c1 71754480 SJHPUSVBWIWSJT-LJQANCHMSA-N 335.407 3.525 0 50 EHAA CC(=O)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)nc1 72154911 XKINLMDNIBSPNZ-UHFFFAOYSA-N 343.390 3.835 0 50 EHAA Cc1ccc2c(c1)c(CNc1cc(C(C)C)nc3cc(C)nn13)nn2C 72412033 ZPSAYFSVMPLOPP-UHFFFAOYSA-N 348.454 3.968 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)N1CCCCC[C@H]1c1ccco1 76496615 LFGGSRNUKJAQBU-KRWDZBQOSA-N 329.444 3.706 0 50 EHAA Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3csc(C)n3)[nH]c2c1 77460074 WCWMOCPRWLGNFR-MRXNPFEDSA-N 340.452 3.542 0 50 EHAA O=C(CCCc1cccs1)N1CCC[C@H](OCc2cccnc2)C1 82121379 WALBHWLMPWUYJH-KRWDZBQOSA-N 344.480 3.674 0 50 EHAA C=Cc1ccc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@@H]2C)cc1 82146849 NFUAJCWWBNNETQ-INIZCTEOSA-N 334.419 3.516 0 50 EHAA Cc1nc(NCCCSCc2ccccc2F)c2cnn(C)c2n1 95372236 NYHDKBWYZSBBQE-UHFFFAOYSA-N 345.447 3.546 0 50 EHAA CC(C)c1ncc(CN2CCC[C@@H](c3cccc(C(=O)O)c3)C2)cn1 95375676 RRMNYQUXVKMZSQ-GOSISDBHSA-N 339.439 3.678 0 50 EHAA Cc1cc2c(NC(=O)N(C)[C@@H](C)Cc3ncccc3C)cccc2nn1 96152272 GAFXZUCNLGFWLW-HNNXBMFYSA-N 349.438 3.737 0 50 EHAA COc1ccccc1[C@@H](NC(=O)Nc1ccncc1C)c1ccccn1 122154330 JTGPYDOUTXREAB-LJQANCHMSA-N 348.406 3.705 0 50 EHAA Cc1nc(COc2cccc(C(=O)NCC3(CC(C)C)CC3)c2)no1 126113980 JCOBHNGIOHVVLU-UHFFFAOYSA-N 343.427 3.513 0 50 EHAA COC[C@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)C1CC1 152047697 KOWZWDOYXUKUNM-SFHVURJKSA-N 336.391 3.650 0 50 EHAA CCOc1ncccc1NC(=O)c1csc(-c2ccc(C)n2C)n1 152767100 KIWRLCGGYNTKHU-UHFFFAOYSA-N 342.424 3.503 0 50 EHAA CC1CCN(C(=O)C2CCN(Cc3ccc4c(c3)CCC4)CC2)CC1 172291221 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3.628 0 50 EHAA COc1cc(NC(=O)N2CCC[C@@H]2c2c(C)noc2C)cc(OC)c1 33270565 XDCDWTWJCNMKGQ-MRXNPFEDSA-N 345.399 3.678 0 50 EHAA COc1ccc(C(=O)[C@H]2CN(C)C[C@H]2c2ccc(Cl)cc2)cc1 36386776 BJLIVVSDLXNEDM-ROUUACIJSA-N 329.827 3.877 0 50 EHAA CC(C)(C)c1cn(C2CCN(C(=O)C3CCCCCC3)CC2)nn1 48315092 LVFVGJKYICONTL-UHFFFAOYSA-N 332.492 3.710 0 50 EHAA Cc1ccc([C@H](CC(=O)NCCn2ccnc2)c2ccccc2)cc1 55090508 ADYPZJBFNSFNJQ-HXUWFJFHSA-N 333.435 3.530 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)N(CCO)Cc1cccs1 55281954 AJNKQTWYSXACEY-UHFFFAOYSA-N 333.497 3.676 0 50 EHAA COc1ccc(CCCC(=O)Nc2ccnn2C2CCCC2)cc1 61131822 DKUQJAMYPWTQQU-UHFFFAOYSA-N 327.428 3.968 0 50 EHAA CCSc1nc2nccc(-c3ccc(Br)cc3)n2n1 65363870 YQBDKUANVCRMQE-UHFFFAOYSA-N 335.230 3.666 0 50 EHAA Clc1ccc(-n2cccn2)cc1-c1nn2c(C3CC3)nnc2s1 71745905 GNWVUKNSFCLMOZ-UHFFFAOYSA-N 342.815 3.569 0 50 EHAA CC[C@H](Nc1nc(C(C)C)nc2c1cnn2C)c1ccc(O)cc1 72163363 ZJOLLLGYUSHRHB-HNNXBMFYSA-N 325.416 3.756 0 50 EHAA CCc1cc(NCc2cc(-c3ccccc3F)no2)n2nccc2n1 72436497 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327.409 3.903 0 50 EHAA C[C@H](Cc1ccncc1)NC(=O)CSCc1ccccc1Cl 55269767 CLEZAVHKTRZDGF-CYBMUJFWSA-N 334.872 3.716 0 50 EHAA Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2cccc(-n3cccn3)c2)c1 55393595 ZYTMNLWOPVHIRT-KRWDZBQOSA-N 349.434 3.573 0 50 EHAA CC(C)c1ncc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cn1 71416180 KZKFUKWDEFKUPA-KRWDZBQOSA-N 331.847 3.827 0 50 EHAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1ccc2nccn2c1 92077449 XLNWKAIDSVHFAV-UHFFFAOYSA-N 348.431 3.730 0 50 EHAA Cc1nc(C2CCN(Cc3nc(-c4ccccc4)cs3)CC2)n[nH]1 92736778 UYDLKSKUPWGRPT-UHFFFAOYSA-N 339.468 3.616 0 50 EHAA O=C(NCc1csc2c1CCCC2)Nc1ccc2c(c1)OCCO2 96136227 BXFTZOKFCBVARY-UHFFFAOYSA-N 344.436 3.720 0 50 EHAA CC[C@@H](C)Oc1ccccc1NC(=O)NCCSc1nccn1C 96137833 LITBFGZGXJTAGU-CYBMUJFWSA-N 348.472 3.511 0 50 EHAA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2ccc(Cl)cc2Cl)C1 100504693 HYRBDROWEZQXCM-JSGCOSHPSA-N 349.261 3.774 0 50 EHAA CC(C)(Cc1ccccc1)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 121901651 ULORCXZWHOZXGO-UHFFFAOYSA-N 340.398 3.918 0 50 EHAA CC(=O)N(C)CCc1nc(-c2cc(C)c(F)cc2Cl)cs1 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325.412 3.659 0 50 EHAA Cc1ccc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)c(O)c1 333030899 HNBZATDATDQXOP-IBGZPJMESA-N 337.419 3.525 0 50 EHAA C[C@H]1C[C@H](CNC(=O)N[C@@H]2CCc3c(Cl)cccc32)C[C@@H](C)O1 408126673 AFAKWTHWTIASEW-IPJQOSJUSA-N 336.863 3.830 0 50 EHAA CC(C)c1nccc(C(=O)N(Cc2ccccn2)C2CCCCC2)n1 426376265 BUQIXKCZLMCGPN-UHFFFAOYSA-N 338.455 3.970 0 50 EHAA C[C@@H](NCc1c2c(nn1C)CCCC2)c1cccc(OC(F)F)c1 462815407 CXWCGQUHQMMGAR-GFCCVEGCSA-N 335.398 3.751 0 50 EHAA COc1ccccc1-c1cn(Cc2noc3c2CC(C)(C)CC3)nn1 900573049 RAQMKDXAEMZEKK-UHFFFAOYSA-N 338.411 3.505 0 50 EHAA Cc1cccc(CN(CC(=O)Nc2ccn(C)n2)C2CCCCC2)c1 1529120887 RWCHYEXXQMQQLH-UHFFFAOYSA-N 340.471 3.502 0 50 EHAA CCCCCOc1cc(C)c(C)cc1S(=O)(=O)n1ccc(C)n1 1776003091 UWRYNHQTQVBKQV-UHFFFAOYSA-N 336.457 3.614 0 50 EHAA Cc1cc(COc2ccc3c(c2)CCOC32CCNCC2)ccc1F 1857672070 HWADKVUVTQBMSV-UHFFFAOYSA-N 341.426 3.865 0 50 EHAA c1ccc(OCc2ccc(-c3noc(C45CCN(CC4)C5)n3)cc2)cc1 1875280833 BBJUQQLGDRMITC-UHFFFAOYSA-N 347.418 3.663 0 50 EHAA 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C[C@@]1(O)CCN(Cc2ccc(O)c(Cl)c2)C[C@@H]1Cc1ccccc1 67688788 LAMNISPNADSPEL-FXAWDEMLSA-N 345.870 3.861 0 50 EHAA Cc1cc(C)nc(Cn2ccnc2-c2cccc([C@@H](C)N(C)C)c2)n1 71735942 XXZKCLHPGYXHNP-MRXNPFEDSA-N 335.455 3.628 0 50 EHAA O=C(O)c1ccccc1[C@H]1CCN(C(=O)c2cccc3ncccc23)C1 72157925 VAMGGSVYNUZFHJ-AWEZNQCLSA-N 346.386 3.563 0 50 EHAA O=C(Cc1cccs1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 72468967 MTAZOTJFLDJKAT-HNNXBMFYSA-N 329.400 3.670 0 50 EHAA Cc1cccc2[nH]c(C3CCN(C(=O)CSCC4CC4)CC3)nc12 91391404 LJIQCDDUWDGAJS-UHFFFAOYSA-N 343.496 3.721 0 50 EHAA O=C(NCc1ccc2c(c1)CCCO2)c1ccc([C@@H]2CCCO2)s1 91694539 OEUKAXMJPYEGMV-INIZCTEOSA-N 343.448 3.855 0 50 EHAA Cc1cc(C)cc(C2(Cn3cc(-c4cncnc4)nn3)CCCC2)c1 95355566 BZPGEUJLNLLBPM-UHFFFAOYSA-N 333.439 3.864 0 50 EHAA Cc1ccccc1[C@@H](C(=O)NCc1ccc(F)cc1Cl)N(C)C 95499434 KSYCFQPXHIANKL-KRWDZBQOSA-N 334.822 3.707 0 50 EHAA Cc1nnc(-c2ccccc2-c2ccc(NC(=O)NC3CC3)cc2)o1 96136332 CBGODUWJOJGFFK-UHFFFAOYSA-N 334.379 3.996 0 50 EHAA C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cnc2ccccc2c1 96179499 QUBNTZOVUQHMTF-HNNXBMFYSA-N 341.455 3.676 0 50 EHAA O=C(CC1CCC(c2ccccc2)CC1)N[C@@H]1CCc2[nH]ncc2C1 114407230 LFTPDSVUGCPYAP-GXOAENINSA-N 337.467 3.747 0 50 EHAA CSc1ccc(CC(=O)Nc2ccc(-c3nc(C)n[nH]3)cc2)cc1 116636295 BRZDJUNFYHFATF-UHFFFAOYSA-N 338.436 3.683 0 50 EHAA CC(C)[C@H](O)CNC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 134252600 AQSKMPMPKAPGSW-QGZVFWFLSA-N 332.831 3.512 0 50 EHAA CC(=O)Nc1ccc(Cl)c(C(=O)NCC2(c3ccccc3)CC2)c1 134523384 JINLHBJRKOXBNY-UHFFFAOYSA-N 342.826 3.760 0 50 EHAA O=C(Nc1ccc(Cl)cn1)N[C@H]1CCO[C@H](c2ccccc2)C1 157926078 CFJMOJAVBYYZLJ-GJZGRUSLSA-N 331.803 3.777 0 50 EHAA Cn1cc(CC(=O)NCCn2ccc3ccc(F)cc32)c2ccccc21 170625373 PMXCHUZWZBGLDP-UHFFFAOYSA-N 349.409 3.631 0 50 EHAA Cc1ccc(SC[C@@H](C)NC(=O)N(C)Cc2cscn2)cc1 186064565 GAXKSUDZCUJTNF-CYBMUJFWSA-N 335.498 3.774 0 50 EHAA COCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCc3cccnc32)o1 192672784 RKXSGOYJVUMMNZ-SJORKVTESA-N 340.423 3.605 0 50 EHAA CN(Cc1cnc(C2CCCCC2)nc1)Cc1cc(C2CC2)n[nH]1 215186849 LOMMCKDRTDAOBN-UHFFFAOYSA-N 325.460 3.757 0 50 EHAA Cc1ccc(C)c(-c2[nH]ncc2CN(C)Cc2nc(C3CC3)no2)c1 215585414 ISMJYXPWVHTROG-UHFFFAOYSA-N 337.427 3.586 0 50 EHAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1c(C)oc2c1C(=O)CCC2 252503955 VHLIXDMSRKPHLA-NSHDSACASA-N 344.436 3.679 0 50 EHAA CCc1nc(C)sc1CN1C[C@H](c2ccccc2C)[C@@H](C(=O)O)C1 253605149 KAWABWFBIBYSCV-CVEARBPZSA-N 344.480 3.623 0 50 EHAA CC(C)C[C@H](NC(=O)N1CC[C@H](C(=O)O)C1)c1ccc(Cl)cc1 263226107 LTCPIMKOABAPKD-ZFWWWQNUSA-N 338.835 3.543 0 50 EHAA CN1CCCC[C@H]1CCSc1nnc(C2CC2)n1Cc1ccco1 283741516 AQHSOZSSJDNTEZ-HNNXBMFYSA-N 346.500 3.763 0 50 EHAA COc1ccc([C@H](CCO)NC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1 332789433 SRSWLEKBEZSQLO-XLNTUCKNSA-N 345.483 3.841 0 50 EHAA C[C@@H](Nc1ccc(COCCO)cc1)c1ccc(OC(F)F)cc1 424123813 LMJDOAAJQQELNA-CYBMUJFWSA-N 337.366 3.970 0 50 EHAA CN(CCCN(C)C(=O)c1cc(Cl)cs1)C(=O)OC(C)(C)C 839873381 SOVRNWKJDPITFF-UHFFFAOYSA-N 346.880 3.731 0 50 EHAA CCc1onc(C)c1NC(=O)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F 930573311 LTACCELANKNYCX-TZMCWYRMSA-N 335.354 3.716 0 50 EHAA Cc1ncsc1CCC(=O)Nc1onc(-c2ccccc2)c1C 1529167495 LUUUGDOHEFDDQV-UHFFFAOYSA-N 327.409 3.986 0 50 EHAA O=C(CC1CC1)N1CCC[C@@]2(CCc3cnc(-c4ccccc4)nc32)C1 1704344906 QDWDGMVUKZGISS-JOCHJYFZSA-N 347.462 3.750 0 50 EHAA COc1cc(C)c(CN2CCC(c3ccnc(O)c3)CC2)cc1C 1772712655 YDWIAIYHQONTIF-UHFFFAOYSA-N 326.440 3.792 0 50 EHAA CC[C@@]1(C(=O)O)C[C@@H]2CC[C@H]1N2C(=O)c1cc2c(Cl)cccc2[nH]1 1857683104 VPEWFEZQNQJUKP-WQFPPAFTSA-N 346.814 3.679 0 50 EHAA C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1c(O)cccc1F 1857696950 GHFPJRVKTSVWJX-LBPRGKRZSA-N 339.370 3.755 0 50 EHAA CC(C)[C@H]1CC[C@H](C(=O)N(C)[C@@H]2CCN(CCC(F)(F)F)C2)CC1 1875334971 NBCXQNRVSMITJW-BZUAXINKSA-N 348.453 3.934 0 50 EHAA COc1ccc(-c2ccc(CN3CCC[C@H](CO)C3)cc2)cc1OC 2356161868 NFXXEKBQCVLSRL-KRWDZBQOSA-N 341.451 3.575 0 50 EHAA CC(C)CC1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(C(F)(F)F)C1 81534 AOWMFWYYRBEUTR-CQSZACIVSA-N 348.752 3.839 0 50 EHAA CSc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1 89824 OQZHWXPRMUYGEB-UHFFFAOYSA-N 342.511 3.629 0 50 EHAA CCC(=O)c1cc2c(cc1NC(=O)c1cccc(Cl)c1)OCCO2 94267 VARRXYBAXNRBLT-UHFFFAOYSA-N 345.782 3.956 0 50 EHAA O=C(NC[C@@H]1CCCO1)[C@@H](Sc1ccccc1)c1ccccc1 194947 OLDLFKGUYGCCDZ-WMZOPIPTSA-N 327.449 3.815 0 50 EHAA Clc1cccc(Nc2nc(N3CCOCC3)c3ccccc3n2)c1 302116 IKAKBUWWEMMVHU-UHFFFAOYSA-N 340.814 3.863 0 50 EHAA Cc1ccc(C(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1 312926 CKARXBSXFIPOBU-UHFFFAOYSA-N 342.483 3.686 0 50 EHAA CCOC(=O)CC(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 323808 XDAFXFSKSBODOV-UHFFFAOYSA-N 331.393 3.830 0 50 EHAA COc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c1OC 396045 LCMMAAGYOKOFBV-UHFFFAOYSA-N 348.358 3.663 0 50 EHAA CCCC(=O)Nc1ccccc1NC(=O)Cc1ccc(OC)cc1 465017 QZHYXRMOXHTMFV-UHFFFAOYSA-N 326.396 3.615 0 50 EHAA O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Cl)cc1Cl 528732 SJVZTZSUMNGKAV-UHFFFAOYSA-N 337.162 3.540 0 50 EHAA biogenic Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)c(C)c1 1072490 AHZUPHCPVJQRKW-CQSZACIVSA-N 342.826 3.948 0 50 EHAA COC(=O)c1ccc2nc(-c3ccc(Br)cc3)cn2c1 1399561 ZMPREOOJEDSADE-UHFFFAOYSA-N 331.169 3.550 0 50 EHAA O=C(O)CCCCCCCCCCN1C(=O)c2ccccc2C1=O 2575990 KKNSERPTIKUDGJ-UHFFFAOYSA-N 331.412 3.878 0 50 EHAA COC(=O)c1sccc1NC(=O)c1ccccc1Br 2739110 ARGVBSLLLGRHLY-UHFFFAOYSA-N 340.198 3.550 0 50 EHAA Cc1cccc(-c2noc(CNC(=O)c3ccc(C)cc3Cl)n2)c1 4838723 ZPOKKMOLFPEKNY-UHFFFAOYSA-N 341.798 3.937 0 50 EHAA COc1cccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)c1 5400368 DCZWZIGNFVOZOZ-UHFFFAOYSA-N 326.783 3.621 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 12138803 RGVVWECLDRISKL-AWEZNQCLSA-N 326.396 3.750 0 50 EHAA CN(C)c1cccc(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)c1 12448761 HIBYJEHBVCWYCE-SFHVURJKSA-N 341.430 3.608 0 50 EHAA COc1ccc(-c2[nH]ncc2-c2cnn(-c3ccccc3)c2)c(O)c1 13126580 VJZFROKHBFIEPU-UHFFFAOYSA-N 332.363 3.644 0 50 EHAA Cc1ccc(NC(=O)N2CCN(Cc3ccccc3C)CC2)cc1F 13320231 FWQPVQYQNGGBDT-UHFFFAOYSA-N 341.430 3.792 0 50 EHAA COC(=O)c1cc(-c2ccc(F)cc2)nc2c(-c3ccccc3)cnn12 13645647 ZUOQIOXHLHLCHA-UHFFFAOYSA-N 347.349 3.989 0 50 EHAA Cc1ccc(OC[C@@H](O)Cn2c(C3CC3)nc3ccccc32)cc1C 16903132 YVIIIHSXLGCNRY-KRWDZBQOSA-N 336.435 3.970 0 50 EHAA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NC(C)C 17070515 LJECMSKZJWPHMF-UHFFFAOYSA-N 334.466 3.897 0 50 EHAA Cc1nc(CCN2CCC(Oc3ccccc3F)CC2)c(C)s1 20601854 MDBHJILNUYVHFH-UHFFFAOYSA-N 334.460 3.985 0 50 EHAA Cc1cc(C)c(C(=O)N2CCC(n3cc(C4CC4)nn3)CC2)cc1C 48081084 AZDDGVGHRGVQPO-UHFFFAOYSA-N 338.455 3.558 0 50 EHAA Oc1cccc2ccc(CN(Cc3ccccn3)C[C@@H]3CCCO3)nc12 55402631 GUNFECCZEYAEBN-IBGZPJMESA-N 349.434 3.517 0 50 EHAA Cc1cc2ccccc2n1CCC(=O)NCCCC[C@@H]1CCCO1 55404202 BKIXJMAKZMIZGS-GOSISDBHSA-N 328.456 3.805 0 50 EHAA CC[C@H](C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)cc1 59744569 IPVAMNSXVZHELZ-HOCLYGCPSA-N 331.460 3.532 0 50 EHAA Cc1cc(C)c2c(C(=O)N3CCC[C@@H]3C)cc(-c3cnn(C)c3)nc2c1 63871786 RNERIVUWMNRUMG-HNNXBMFYSA-N 348.450 3.877 0 50 EHAA COc1ccccc1/C=C/CN1CC[C@@H](c2sccc2C)[C@H](O)C1 65387743 FAVMOTJLCCBYIX-JORFTBQQSA-N 343.492 3.929 0 50 EHAA Cc1ccc2oc(N3CCN(Cc4cc(C(C)C)no4)CC3)nc2c1 65507191 SETCLLRFWCSQCG-UHFFFAOYSA-N 340.427 3.570 0 50 EHAA c1ccc(-c2ncsc2CN[C@H]2CCOC3(CCOCC3)C2)cc1 77287177 RUGCWMMWYONSJS-INIZCTEOSA-N 344.480 3.628 0 50 EHAA O=C1CCCCCN1CCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 77456606 WEQNXHAUWKFXKK-GOSISDBHSA-N 346.446 3.672 0 50 EHAA CCCc1cc(C(=O)N2CCC[C@H](OCc3cccnc3)C2)cs1 91689996 KZHRMAJBUHVXQJ-KRWDZBQOSA-N 344.480 3.917 0 50 EHAA Cc1cc(Cl)cc2c(N3CCC[C@H](CCC(N)=O)C3)ccnc12 96147837 RYUDNXUBUQPJLI-CYBMUJFWSA-N 331.847 3.679 0 50 EHAA C[C@H](c1cn(-c2ccccc2)nn1)[S@@](=O)C/C=C/c1ccccc1 155613313 UORCRESFCRVOMU-LVZVOEBYSA-N 337.448 3.790 0 50 EHAA Cc1nn(-c2ccccc2)cc1NC(=O)N[C@H]1CC(C)(C)OC1(C)C 183742686 YAEVLPYBMOHZTK-INIZCTEOSA-N 342.443 3.648 0 50 EHAA CC(C)(C)OC(=O)N1Cc2ccc(CNCc3cccnc3)cc2C1 189579926 HSKWDHBSURXPHL-UHFFFAOYSA-N 339.439 3.622 0 50 EHAA C[C@H](CCN1CCC(c2nc(N(C)C)no2)CC1)c1ccccc1 194752379 CTDRNNBMJDZNIF-OAHLLOKOSA-N 328.460 3.509 0 50 EHAA COc1cccc([C@@H]2CCN2Cc2cccc(Cn3cccn3)c2)c1 215236749 SZYAQRCDQLMVCO-NRFANRHFSA-N 333.435 3.887 0 50 EHAA CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 229427462 AAZAVONODRBHGA-FPCVCCKLSA-N 346.437 3.830 0 50 EHAA O=C1O[C@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Oc2ccccc2)cc1 239174617 QHPQSJHZNIFFBT-QUVDLZNZSA-N 349.386 3.615 0 50 EHAA C[C@@H](NC(=O)CN1CCC[C@H]1c1cccs1)c1ccc(F)cc1 242389227 ZVIKUQAKSZZNHK-CJNGLKHVSA-N 332.444 3.902 0 50 EHAA Fc1ccc(Cl)c(Br)c1I 258830408 GBPCIFXIDXRUPI-UHFFFAOYSA-N 335.341 3.846 0 50 EHAA Cc1ccc(C[C@H](C)NC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)s1 270601021 AQELCDXIVGURJW-JGGQBBKZSA-N 338.517 3.880 0 50 EHAA COc1cc(Br)cc(C)c1NC(=O)N1CCC=C(F)C1 274081041 RGVPCPUTYVVNKP-UHFFFAOYSA-N 343.196 3.857 0 50 EHAA O=C(O)C[C@H]1CCCN(Cc2cc(F)ccc2Br)CC1 299741110 CVCCBQISELBILE-NSHDSACASA-N 344.224 3.665 0 50 EHAA c1ccc([C@H]2OCC[C@@H]2CNCc2ccc(N3CCCC3)nc2)cc1 328588666 UXPAURXKBUFCHH-TZIWHRDSSA-N 337.467 3.549 0 50 EHAA Cc1cc(O)nc2cc(C(=O)N3Cc4ccccc4C[C@H]3C)ccc12 342461050 VYDOBVGXAODPSE-CQSZACIVSA-N 332.403 3.836 0 50 EHAA Cc1nc(C2CC2)oc1C(=O)N1CCC[C@]2(C1)OCc1ccccc12 372803442 OPBDANNLVBRXCV-HXUWFJFHSA-N 338.407 3.522 0 50 EHAA CC(C)C1(c2ccccc2)CN(C(=O)CCc2cncc(F)c2)C1 412804584 IXPSLCUKOQJPHT-UHFFFAOYSA-N 326.415 3.590 0 50 EHAA Cn1nccc1-c1cccc(-c2c[nH]c(C(=O)N3CCCCC3)c2)c1 426643053 UYMCBSDBOKCHBF-UHFFFAOYSA-N 334.423 3.708 0 50 EHAA C[C@@H]1CCN(C(=O)NCc2nc3cccc(Cl)c3n2C)CC1(C)C 483309887 RITPCPYLPIGKJS-GFCCVEGCSA-N 348.878 3.804 0 50 EHAA O=C(NCCCSCc1ccco1)N1CCOc2ccccc2C1 584889344 OJNYBWXBJGXTEJ-UHFFFAOYSA-N 346.452 3.507 0 50 EHAA CCN(Cc1csc(-c2ccc(C(=O)O)cc2)n1)[C@H]1CCCOC1 652506944 OZTUYMIUJWEEMY-INIZCTEOSA-N 346.452 3.509 0 50 EHAA COCC1(C2CCC2)CN(C(=O)N[C@H](C)c2cccc(Cl)c2)C1 663442333 HCHCTKASROMRQA-CYBMUJFWSA-N 336.863 3.859 0 50 EHAA Cc1ccc([C@@H](C)CCN(C)Cc2nc(O)c3sccc3n2)o1 670446009 DBXBJOJXGGGDAH-NSHDSACASA-N 331.441 3.924 0 50 EHAA Cc1ccc(N2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1-c1ncco1 772088058 QDFFWYOREIJYQN-HXUWFJFHSA-N 347.374 3.622 0 50 EHAA CCOc1ccc(CC(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)cc1 780425331 UZXMRJVIWIJNLB-GOSISDBHSA-N 341.455 3.599 0 50 EHAA Cc1ccccc1/C=C/c1nnc([C@H]2OCC[C@H]2Cn2ccnc2)o1 886082242 OJSSRRBFLFALQF-RTQGNFRKSA-N 336.395 3.523 0 50 EHAA Cc1nn(-c2ccccc2)c(Cl)c1-c1nc([C@@H]2CCCOC2)no1 904795966 HNWPSFJNSUHZCL-GFCCVEGCSA-N 344.802 3.778 0 50 EHAA Cc1ccc(SCc2ccc(C(=O)N[C@@H]3C[C@H]4OCC[C@@H]34)o2)cc1 1074567826 KYXPEHINSAJGBX-LZLYRXPVSA-N 343.448 3.788 0 50 EHAA O=C(c1ccc(C2CC2)nc1O)N1CCCCC[C@H]1c1ccncc1 1335631798 ILFRJMBCYSZGLX-SFHVURJKSA-N 337.423 3.817 0 50 EHAA CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)c1ncoc1C1CC1 1339199630 DCPSZGFRFBICPK-LLVKDONJSA-N 345.468 3.796 0 50 EHAA O=C(O)c1c(NC[C@H]2CCCOC2)noc1-c1ccc(Cl)cc1 1704304382 QUYGGQKLTMKTTD-SNVBAGLBSA-N 336.775 3.532 0 50 EHAA Cc1cc(C)c(-c2nccn2[C@H]2CCN(C)C[C@@H]2C)c(-n2cccn2)c1 1857740115 IOLAQIGTVPAAPX-ROUUACIJSA-N 349.482 3.865 0 50 EHAA O=C(O)c1ccccc1CC1CCN(Cc2cccc3c[nH]nc23)CC1 1875270614 LFPGKZVNWBEISE-UHFFFAOYSA-N 349.434 3.716 0 50 EHAA O=C(C[C@@H](Cc1ccccc1)C(=O)O)Nc1ccc2ncccc2c1 1875360804 JKFPRPPJUXWKQR-MRXNPFEDSA-N 334.375 3.507 0 50 EHAA CC(C)c1nnc([C@]23CC[C@H]2CCN3C(=O)CCc2ccccc2)o1 1875404695 QVFDBVLNFBBMLO-JXFKEZNVSA-N 339.439 3.663 0 50 EHAA COc1ccc(Cc2nnc3n2CC[C@@H](c2ccccc2)CC3)cc1 2100555137 MKOQBHSNMQRSGI-SFHVURJKSA-N 333.435 3.998 0 50 EHAA Cc1nccn1CCCOc1ccc2ncccc2c1Br 2325777704 WEOHHJWOMUQLOU-UHFFFAOYSA-N 346.228 3.971 0 50 EHAA O=C(O)c1c(N2CCC(c3ccncc3)CC2)noc1-c1ccccc1 2356145728 SUDQBRXGIXEDQG-UHFFFAOYSA-N 349.390 3.819 0 50 EHAA CN(C)c1ccc(-c2ccnc(N[C@@H](c3nccn3C)C3CC3)n2)cc1 2356152966 KDAHTQJIQWDMRY-GOSISDBHSA-N 348.454 3.506 0 50 EHAA CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 44061 PGBLGNPEGKXQIB-OAHLLOKOSA-N 336.819 3.557 0 50 EHAA S=C(NCC1(c2ccccc2)CCOCC1)Nc1ccccc1 209548 YMPFUCJIMOOZDS-UHFFFAOYSA-N 326.465 3.721 0 50 EHAA NC(=O)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 296120 OXJCOJXHCPVIPV-UHFFFAOYSA-N 328.456 3.893 0 50 EHAA COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1OC 301994 OPLJODOFDYSJGP-LLVKDONJSA-N 335.787 3.763 0 50 EHAA Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)C(C)C)c1 314109 YYBDDZQWWGQRHV-UHFFFAOYSA-N 326.396 3.607 0 50 EHAA CCN(CC)CCn1c(NC(=O)C2CCCCC2)nc2ccccc21 315164 NMZGHGIVDSQGIR-UHFFFAOYSA-N 342.487 3.897 0 50 EHAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccccc1C 361078 MXBLFFDCDWOAKW-UHFFFAOYSA-N 334.828 3.784 0 50 EHAA Cc1nc2cc(S(=O)(=O)NC3CCCCCCC3)ccc2s1 382011 HJWQFXCIXOGXPT-UHFFFAOYSA-N 338.498 3.996 0 50 EHAA CCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)cc2OC)cc1 398446 JPGMJYNFWHREDL-UHFFFAOYSA-N 344.367 3.525 0 50 EHAA COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1cccnc1 435859 VCLFXTCAFYRBGE-UHFFFAOYSA-N 347.374 3.595 0 50 EHAA COc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 465136 SESRYSWDEPBFQB-UHFFFAOYSA-N 332.208 3.803 0 50 EHAA Cc1nnc(SCC(=O)NC2CCCCCC2)n1-c1ccccc1 620548 PEIPZVUZTMVJNV-UHFFFAOYSA-N 344.484 3.507 0 50 EHAA N=C(NC(=O)c1ccc(Cl)cc1Cl)Nc1nc2ccccc2o1 2299977 ASSOQKGEOOJEJL-UHFFFAOYSA-N 349.177 3.911 0 50 EHAA CCc1c(C)sc(NC(=S)NCc2ccccc2)c1C(=O)OC 5985040 FRCLPRISMDJRAS-UHFFFAOYSA-N 348.493 3.892 0 50 EHAA Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)[C@H]1CCCO1 6726660 DEIWDAIYYOTZOT-QMTHXVAHSA-N 334.803 3.601 0 50 EHAA CCn1ccnc1CNCc1cccnc1Oc1ccc(F)c(F)c1 12299746 PZHUHFLOPCNXRK-UHFFFAOYSA-N 344.365 3.658 0 50 EHAA C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(I)cc1 12630803 CGHDWWHNQZLWNQ-PHIMTYICSA-N 343.208 3.694 0 50 EHAA Cc1ccc(C(=O)Nc2cccnc2)cc1NC(=O)c1ccccc1 16624845 RBPQGPTVDACTMU-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 19796155 QZUDBNBUXVUHMW-UHFFFAOYSA-N 326.831 3.723 0 50 EHAA biogenic,fda Cc1nonc1[C@@H]1CCCN1Cc1nc(-c2cccs2)oc1C 23128655 LEIQWHJYWNFOSG-ZDUSSCGKSA-N 330.413 3.740 0 50 EHAA O=C(c1ccsc1)N1CCC(CO)(CCc2ccccc2)CC1 23311296 DHIIEZJFPQYMIV-UHFFFAOYSA-N 329.465 3.596 0 50 EHAA CCOc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 28293114 RXNWUVZWNJGULK-FQEVSTJZSA-N 338.451 3.652 0 50 EHAA Cc1cccc(Cl)c1NC(=O)[C@@H](C)n1ncc2ccccc2c1=O 65364266 CMYSNKSRGZJVTI-GFCCVEGCSA-N 341.798 3.558 0 50 EHAA CCCCn1nc(C)c2c1NC(=O)C[C@@H]2c1cc2ccccc2n1C 65382657 CDCFYLMFAMIVNC-OAHLLOKOSA-N 336.439 3.957 0 50 EHAA Oc1cc(-c2ccc(Cl)cn2)cc2c1OCCN(CC1CC1)C2 67562620 UTWOAZPSYOCFAO-UHFFFAOYSA-N 330.815 3.712 0 50 EHAA COC[C@H](c1ccccn1)N(C)C(=O)c1cccc(Cl)c1Cl 67773741 RMASIMVGQPSASY-CQSZACIVSA-N 339.222 3.848 0 50 EHAA CC(C)Cn1cncc1Cn1ccnc1-c1ccc(-n2ccnc2)cc1 72462794 ONOXPYJQKHBTMX-UHFFFAOYSA-N 346.438 3.637 0 50 EHAA Cc1ccnc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)c1 77438854 RSBMTFYTHCCGID-FQEVSTJZSA-N 327.472 3.542 0 50 EHAA CCn1nc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1C 82156737 GXPWFAAPCFXDLR-UHFFFAOYSA-N 347.846 3.548 0 50 EHAA Cc1nc(CN2CC[C@]3(CCCN(C4CCCCC4)C3=O)C2)cs1 91663897 JVTCYPCKGQXCHD-LJQANCHMSA-N 347.528 3.599 0 50 EHAA c1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccc4[nH]ccc4c2)C3)nc1 92062276 UPDWBBCGECELTJ-GHTZIAJQSA-N 346.478 3.659 0 50 EHAA Cc1cc(C)c2c(NC[C@H]3CCN(C4CCCCC4)C3)ncnc2n1 95377907 IODZKCBQKTUMSB-MRXNPFEDSA-N 339.487 3.708 0 50 EHAA CNC(=O)c1ccnc(N2CCC(Sc3ccccc3C)CC2)c1 95523240 SSCUVYFYZWHDCV-UHFFFAOYSA-N 341.480 3.511 0 50 EHAA COc1ccc(-c2ccccc2NC(=O)NCC[C@@H](C)CO)cc1 96130841 BWAIDUODIQCIHC-CQSZACIVSA-N 328.412 3.502 0 50 EHAA Cc1cc(NC(=O)NCC2(O)CCCCC2)n(C2CCCCC2)n1 96151007 MLTBDGQGPWVJSB-UHFFFAOYSA-N 334.464 3.513 0 50 EHAA O=C(NCc1c(F)cccc1Cl)c1ccccc1-c1ncc[nH]1 97551327 SYYPNZPRTGMHBQ-UHFFFAOYSA-N 329.762 3.799 0 50 EHAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1c(C)n[nH]c1C 121127211 PQFLZCMOUXSUCC-CYBMUJFWSA-N 349.504 3.546 0 50 EHAA O=C(NCCC1Cc2ccccc2C1)c1csc([C@@H]2CCCO2)n1 122762539 YRTSHFFAOGZRNF-KRWDZBQOSA-N 342.464 3.530 0 50 EHAA Cc1cc(C)nc(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 125573351 DOQWDIFEWIDLDN-UHFFFAOYSA-N 349.438 3.986 0 50 EHAA CO[C@H](C)c1nc(C)c(-c2nc(-c3ccc4c(c3)CCO4)no2)s1 154818298 HOCLBMWHRWGVRT-SNVBAGLBSA-N 343.408 3.811 0 50 EHAA CCCCCN1C(=O)[C@@]2(NC(=O)c3cccc(C)c3N2)c2ccccc21 170600977 JRQFYOQIRODHMT-NRFANRHFSA-N 349.434 3.540 0 50 EHAA Cc1cccc(O)c1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 183018576 NZCIONSHJHDGFO-UHFFFAOYSA-N 346.386 3.950 0 50 EHAA CCn1ccnc1[C@H]1OCCC[C@@H]1N[C@H](C)CCc1ccccc1 190436442 DUSIGRRZMWAVGI-NEWSRXKRSA-N 327.472 3.734 0 50 EHAA CCOc1cccnc1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 191201143 HYBOOEDTGVSVMV-CYBMUJFWSA-N 346.377 3.778 0 50 EHAA COc1ccccc1C1CCN(Cc2cnc(SC)nc2)CC1 215126225 ACAIFRQSWPXTNX-UHFFFAOYSA-N 329.469 3.587 0 50 EHAA CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1(C)C 229255774 CSWWZZLWGGYFBM-IAOVAPTHSA-N 349.496 3.506 0 50 EHAA Cc1nc(CC(C)C)sc1C(=O)N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F 241132843 JMDDZUISVNYKNM-DLOVCJGASA-N 332.391 3.673 0 50 EHAA COc1ccc(-c2nccn2[C@H]2CC[C@@H](N)CC2)c(Cl)c1OC 248181895 DZMJDLSIHMCWBL-TXEJJXNPSA-N 335.835 3.663 0 50 EHAA Cc1ncc(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)s1 252512448 QRLBGJFZDVIPCA-CABCVRRESA-N 343.279 3.848 0 50 EHAA O=C(c1ncsc1-c1ccccc1)N1CC[C@H](C2CCOCC2)C1 253427729 OAUXDZFIZDHICI-INIZCTEOSA-N 342.464 3.699 0 50 EHAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]12C 253591381 QKRYLDYYAWAORZ-IFIBTKHESA-N 346.467 3.566 0 50 EHAA O=C(O)C[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc2ccccc2c1 263112295 RRZOAEIVTUZVOU-IVJVFBROSA-N 335.403 3.684 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 269263434 KAZFBJCDLHBSKX-UZGDPCLZSA-N 341.282 3.683 0 50 EHAA COc1ccc(C(=O)N2CCCCC[C@@H]2c2ncon2)cc1C1CC1 278332326 FAPSQPJOIUDAOI-MRXNPFEDSA-N 341.411 3.713 0 50 EHAA O=C(CCc1ccc(O)nc1)N1CC2(CCCC2)c2cccc(F)c21 279389273 ZPDPQRRRJFBMDR-UHFFFAOYSA-N 340.398 3.718 0 50 EHAA CCOc1ccc(CN(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1 328631533 KOFPTWDLZANOQJ-FPOVZHCZSA-N 339.483 3.605 0 50 EHAA Cc1cccc([C@H]2CCCN2C(=O)N=c2ccn(CC(F)F)[nH]2)c1C 331589805 UCRRINNQRPUNJH-OAHLLOKOSA-N 348.397 3.556 0 50 EHAA O=C(c1ccccc1Oc1ccccc1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 412801835 GJHZFIQTEOSDGE-YESZJQIVSA-N 337.419 3.712 0 50 EHAA Cn1ccnc1-c1ccc(C(=O)NCCCOC2CCCCC2)cc1 426479637 CXKFWXOVCOWGQS-UHFFFAOYSA-N 341.455 3.556 0 50 EHAA COCCOc1ccc(-c2ccc(Cn3nc(C)cc3C)cn2)cc1 426662052 FIJZTPUZBBRXMU-UHFFFAOYSA-N 337.423 3.635 0 50 EHAA COCCN(Cc1ccccc1OC)C(=O)NC1(C2CCCC2)CC1 534670019 BPPIENOWKUCULA-UHFFFAOYSA-N 346.471 3.576 0 50 EHAA O=C(NC[C@@H](c1ccccc1)C1CCCC1)C1(Cn2ccnc2)CC1 534675367 SXRCPLKGFSFEJZ-IBGZPJMESA-N 337.467 3.754 0 50 EHAA O=C(COC(=O)c1cncc2ccccc12)c1cccc(Cl)c1 753877024 DXGPCXNNEXAFTF-UHFFFAOYSA-N 325.751 3.928 0 50 EHAA C[C@H]1CN(C(=O)c2cc(Cl)nc(Cl)c2)Cc2ccccc2O1 816723547 XUTZXNRMSCDSLU-JTQLQIEISA-N 337.206 3.812 0 50 EHAA O=C(O)c1coc(CN2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 846253796 GULMMNZFCYPSTK-LBPRGKRZSA-N 339.313 3.986 0 50 EHAA Cc1cccc2nc(C3CCN(c4cccc([C@@H](C)O)n4)CC3)oc12 893373971 LOMPSEROBBLQLZ-CQSZACIVSA-N 337.423 3.969 0 50 EHAA CC(C)(C)OC(=O)N1CCCC[C@H]1c1ncc(Br)cn1 921505819 CIZVTQBONDVBTD-NSHDSACASA-N 342.237 3.701 0 50 EHAA O=C(NCc1ccc(F)c(Cl)c1)C1(N2CCCC2)CCCCC1 952866975 HMQFNMMHMVUFDF-UHFFFAOYSA-N 338.854 3.894 0 50 EHAA c1ccc(N2CC[C@@H](N3CCCN(Cc4cccs4)CC3)C2)cc1 1506403963 QBPHVXVJTROZPW-LJQANCHMSA-N 341.524 3.535 0 50 EHAA Cc1cnc([C@@H](C)NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)[nH]1 1506417101 GOQVLKLXQLYQCL-CQSZACIVSA-N 349.500 3.672 0 50 EHAA CC(C)CCCC(=O)N[C@H]1COC[C@H]1Cc1ccnc2ccccc12 1529125131 LOPBYDQSYIZINU-XLIONFOSSA-N 340.467 3.735 0 50 EHAA Cc1c(C(=O)N2CCC3(CCc4ccccc43)CC2)nc2ccccn12 1857709997 CJCDHIFUIKCUAA-UHFFFAOYSA-N 345.446 3.763 0 50 EHAA Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H]3CC[C@@H]4C[C@H]43)c12 1875264809 ILNGCVLNXOAMHA-IIAWOOMASA-N 333.391 3.727 0 50 EHAA Cc1cc(NC[C@@H]2CCC3(CC(C(=O)O)C3)O2)c2cccc(F)c2n1 1875272950 LCEBFYIVCZOODL-MLZJXEJWSA-N 344.386 3.507 0 50 EHAA COc1ccc(-c2cncc(-c3nccn3C[C@@H](C)OC)c2)cc1F 2356153637 OUGTYEXPTUHSOH-CYBMUJFWSA-N 341.386 3.795 0 50 EHAA CC1(C)CC(NC(=S)Nc2cccc(Cl)c2)CC(C)(C)N1 173164 QCGOLMBBNCHVFF-UHFFFAOYSA-N 325.909 3.936 0 50 EHAA COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 300673 GIYYHLHMQSNXMR-UHFFFAOYSA-N 332.208 3.803 0 50 EHAA COc1ccccc1CNC(=O)CSCc1ccc(Cl)cc1 331359 HLIMOJCTXLFRJN-UHFFFAOYSA-N 335.856 3.898 0 50 EHAA O=C1C[C@H](c2ccc(Br)cc2)c2cc3c(cc2N1)OCO3 427711 RVVYSMQOHWPESO-LLVKDONJSA-N 346.180 3.652 0 50 EHAA O=S(=O)(Nc1ccccn1)c1cc(Cl)c(Cl)cc1Cl 446157 XTTJXJFYPKFDKV-UHFFFAOYSA-N 337.615 3.843 0 50 EHAA COc1cc(NC(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 3276655 NGGMIGPCLRFFLA-UHFFFAOYSA-N 338.363 3.920 0 50 EHAA Cc1ccc(-n2nc3ccc(NC(=O)Cc4ccccc4)cc3n2)cc1 3670831 OSRJLKNZIRRZIJ-UHFFFAOYSA-N 342.402 3.910 0 50 EHAA O=Cc1cccn1-c1ccc(Br)cc1Br 3676280 KARPDJDBPORLGH-UHFFFAOYSA-N 328.991 3.815 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@@]12C 4556633 WKAVAGKRWFGIEA-AZUBXHIKSA-N 328.452 3.903 0 50 EHAA CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1Cl 4869100 KOOIHGDBQSABEF-UHFFFAOYSA-N 333.771 3.762 0 50 EHAA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccccc2C)CC(=O)N1 6819408 ZCSOWYZSDKBPSR-SFHVURJKSA-N 341.451 3.996 0 50 EHAA CC(=O)O[C@@H](C(=O)Nc1nc2ccccc2s1)c1ccccc1 8974488 WHJUAFWGYNBUMM-OAHLLOKOSA-N 326.377 3.539 0 50 EHAA Cc1ccc(OCc2nnc(NC(=O)c3ccccc3)s2)c(C)c1 15724088 QUJDGZPEGHAXEH-UHFFFAOYSA-N 339.420 3.986 0 50 EHAA O=C(c1ccccc1CCc1ccccc1)n1nnc2ccccc21 15781675 BYSVCJAWUMZAPY-UHFFFAOYSA-N 327.387 3.905 0 50 EHAA Cc1ccc(C(=O)N[C@@H](N2CCCCC2)C(Cl)(Cl)Cl)cc1 19228370 DZQSJRYJSBEBJB-AWEZNQCLSA-N 349.689 3.907 0 50 EHAA CCC[C@H](C)c1nnc(NC(=O)c2cccc(OC)c2OC)s1 55036139 AEQZINUDPGXDBE-JTQLQIEISA-N 335.429 3.711 0 50 EHAA CCCN(Cc1cccnc1)C(=O)c1cccc(Oc2ncccn2)c1 55036682 WGUWUDRSILCZRG-UHFFFAOYSA-N 348.406 3.716 0 50 EHAA CCc1cnc(C)nc1N1CCc2onc(-c3cccc(F)c3)c2C1 67714201 NZWNLMVAGATLHA-UHFFFAOYSA-N 338.386 3.704 0 50 EHAA Cc1ccc2cc(CN(C)[C@@H](C)Cc3ncccc3C)c(=O)[nH]c2c1 67872482 RKZOOZJFALFXMM-INIZCTEOSA-N 335.451 3.603 0 50 EHAA Cc1ccc2nc(CN(C)Cc3nnc(-c4ccccc4)o3)[nH]c2c1C 67955673 GLBDPSVPDQCAPN-UHFFFAOYSA-N 347.422 3.862 0 50 EHAA CCc1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)no1 71747412 JTXASYFPIBQGRW-HNNXBMFYSA-N 330.403 3.861 0 50 EHAA CCc1cc(N[C@@H](CCn2ccnc2)c2ccccc2)n2nccc2n1 72476001 AMIRODLZRAPGRO-SFHVURJKSA-N 346.438 3.732 0 50 EHAA Cc1cccc2[nH]c([C@H]3CCCN(c4ncnc5[nH]ccc45)C3)nc12 77375985 SUOHBQBPDGGDQJ-ZDUSSCGKSA-N 332.411 3.527 0 50 EHAA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)CO)CC[C@H]12 78807642 ZESRJSPZRDMNHY-HCNLZUIDSA-N 330.468 3.696 0 50 EHAA CC(C)COc1ccccc1CN(C)C(=O)c1cc(C(C)C)nn1C 82137149 BLRZRNZRBDPNNU-UHFFFAOYSA-N 343.471 3.851 0 50 EHAA Cc1ccc2c(C)c(C(=O)N3CCC[C@H](Cn4ccnc4)C3)oc2c1 92061900 ZTLFPDYITHVMOY-MRXNPFEDSA-N 337.423 3.799 0 50 EHAA COc1ccc(-n2cccn2)c(CN2CCC[C@H]2c2cc(C)no2)c1 97532565 LYMKGADMZOUSRN-SFHVURJKSA-N 338.411 3.514 0 50 EHAA Cc1ccc(C[C@@H]2C(=O)N(c3ccc4ccccc4n3)C(=O)[C@@H]2C)cc1 100593067 CMDBAZUQAJAMKH-QAPCUYQASA-N 344.414 3.911 0 50 EHAA CC1=C[C@@H](c2ccccc2)n2nc(NC(=O)c3ccc(F)cc3)nc2N1 100829116 AMAXJBPBVFMBHG-INIZCTEOSA-N 349.369 3.588 0 50 EHAA O=C1[C@@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2C12CC2 101478073 QMQPDCDNMPUVBK-GBOPCIDUSA-N 348.229 3.691 0 50 EHAA CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(-n2ccnc2)nc1 112672496 FXNJBQXDFBROMX-IBGZPJMESA-N 334.423 3.737 0 50 EHAA CNC(=O)c1cc(Oc2ccc(OCc3ccccc3)cc2)ccn1 139056786 NBIAICOIXJDKPX-UHFFFAOYSA-N 334.375 3.813 0 50 EHAA Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccccc1 143348458 ORBLRWGVRQGYIU-UHFFFAOYSA-N 349.253 3.884 0 50 EHAA Cc1ccc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCN2C3=O)cc1C 169765802 GSBANKCGVZXOEU-LJQANCHMSA-N 349.434 3.568 0 50 EHAA Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc(C)on2)cc1 174301002 TVBDSZMQKWNMHX-UHFFFAOYSA-N 326.318 3.539 0 50 EHAA Cc1cnc([C@H](C)CNC(=O)Nc2c[nH]nc2-c2ccccc2)s1 183638178 DRTNPRCIJIXKPQ-LLVKDONJSA-N 341.440 3.767 0 50 EHAA NC(=S)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 215854460 WLLHYEUONDNBQJ-UHFFFAOYSA-N 328.828 3.848 0 50 EHAA Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc(C)s3)C2)n1 229442744 XXMQLBSYGWGAMA-IXDOHACOSA-N 343.496 3.837 0 50 EHAA Cc1ccc(-c2ccc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4)c(F)c2)cc1 237722302 ZGIZYTGMHKKXTN-JWTNVVGKSA-N 338.426 3.814 0 50 EHAA Cc1cccc2nc(N3CCC[C@@H](c4nnc5n4CCC5)C3)sc12 280691169 JKGHKQYDESAIOL-CYBMUJFWSA-N 339.468 3.526 0 50 EHAA O[C@H](c1ccncc1)c1ccc2c(c1)CN(Cc1ccccc1)CCO2 299769293 WHOREHNOGYXYOY-JOCHJYFZSA-N 346.430 3.558 0 50 EHAA Cc1nc([C@@H](C)NC(=O)CCc2ccc(N(C)C)cc2)c(C)s1 299779980 RKBGPYJPRPMEPY-GFCCVEGCSA-N 331.485 3.636 0 50 EHAA CO[C@H]1CC[C@@]2(OC)CCN(Cc3[nH]c4ccc(F)cc4c3C)[C@H]2C1 299782469 VUAHUUYVLSIKEE-RYGJVYDSSA-N 346.446 3.774 0 50 EHAA CN(CCc1cnccn1)C(=O)N[C@H]1CCC[C@@H](C(C)(C)C)CC1 333303466 HXJOJTRYHOZPPR-CVEARBPZSA-N 332.492 3.656 0 50 EHAA Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@](F)(CO)C3)cc2)cc1 408515973 QUWGXHBRSRBKMJ-IBGZPJMESA-N 344.386 3.726 0 50 EHAA CC(C)c1ncncc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 411070862 SHEVEBJLWCZASC-QGZVFWFLSA-N 349.438 3.844 0 50 EHAA O=C(c1cncc2ccccc12)N1CC2(CCC2)[C@H]1C1CCOCC1 425128588 ZSJYIPLRHAXMTK-LJQANCHMSA-N 336.435 3.656 0 50 EHAA C[C@@H]1[C@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@H]1c1ccccc1 431520192 QIDSZPBIDDNILO-BEVDRBHNSA-N 338.426 3.524 0 50 EHAA COCC1(C2CCC2)CN(C(=O)N[C@@H](C)Cc2ccc(F)cc2C)C1 665540010 AZIGWNVAKVRQFN-HNNXBMFYSA-N 348.462 3.523 0 50 EHAA COc1cccc2cc(CNc3ccc(-c4cncnc4)cn3)oc12 798431120 YJYDMUBAVIURRW-UHFFFAOYSA-N 332.363 3.906 0 50 EHAA CN1CCCN(C(=O)c2cnn(C3CCC3)c2)c2cc(Cl)ccc21 933521002 WQDFMLRZMZZUKR-UHFFFAOYSA-N 344.846 3.748 0 50 EHAA Fc1cccc(CNc2nc(-c3ccccn3)nc3c2CCC3)c1F 1458514250 JGRDMTLJJGHLIN-UHFFFAOYSA-N 338.361 3.918 0 50 EHAA C[C@@H]1CCCC[C@H]1NC(=O)c1csc(NC(=O)OC(C)(C)C)n1 1775975722 FJKDDOWYSSBKGW-GHMZBOCLSA-N 339.461 3.799 0 50 EHAA Cc1nc2cc(N(Cc3cccc(O)c3)C[C@H]3C[C@@H](O)C3)ccc2o1 1775986530 MHMAWWAHOLPNTH-RHNCMZPLSA-N 338.407 3.619 0 50 EHAA COc1ccccc1OCCCN(C)C(=O)[C@H]1CC[C@@H]2CCC[C@@H]21 1857668493 AWXJIBPQTQXYIQ-ULQDDVLXSA-N 331.456 3.749 0 50 EHAA COc1cc(OC)c(Cc2noc(-c3cccc(C(C)C)c3)n2)cn1 1875353988 NBIKUQYNHAJWFS-UHFFFAOYSA-N 339.395 3.863 0 50 EHAA C[C@H](C(=N)NOCCCOc1ccc(C(C)(C)C)cc1)n1ccnc1 2325731522 PQEBHWBKEZMAMX-OAHLLOKOSA-N 344.459 3.709 0 50 EHAA Cc1ccc2n[nH]cc2c1-c1nc(Cc2cc(F)cc(F)c2)no1 2325853155 FUGVWNIBQPSMMM-UHFFFAOYSA-N 326.306 3.790 0 50 EHAA Cc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1Br 30213 SVTREZXQRMOGCF-UHFFFAOYSA-N 334.169 3.739 0 50 EHAA O=C(CSC1=NCCS1)n1c2c(c3ccccc31)CCCC2 190866 DJRSFRQTXFGASH-UHFFFAOYSA-N 330.478 3.996 0 50 EHAA COc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OC 219593 QVKVHNCGFPMEET-UHFFFAOYSA-N 348.402 3.942 0 50 EHAA O=S(=O)(Nc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl 449885 BOYNMJWCRQMLSW-UHFFFAOYSA-N 346.191 3.523 0 50 EHAA Cc1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 783913 ASSVGHKXXQORBR-UHFFFAOYSA-N 328.437 3.547 0 50 EHAA CCOC(=O)c1ccc(NC(=O)CCCOc2ccccc2C)cc1 1772492 QLCJFZUGVYSYFH-UHFFFAOYSA-N 341.407 3.969 0 50 EHAA C[C@H](O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4264945 SCPADBBISMMJAW-NCRSQOLBSA-N 336.516 3.502 0 50 EHAA CC(C)(C)[C@@H](O)/C(=C/c1ccc(Cl)cc1Cl)n1cncn1 5354425 FBOUIAKEJMZPQG-XMRSSTEGSA-N 326.227 3.990 0 50 EHAA O=C(c1ccco1)N1CC[C@]2(CCCN(CC3CCCCC3)C2)C1 11878313 OBPJPCDJIBOEPF-FQEVSTJZSA-N 330.472 3.788 0 50 EHAA COc1cccc(OCc2nc(C(=O)NCC3CCCCC3)co2)c1 12301033 KWALMQRIVPOGGB-UHFFFAOYSA-N 344.411 3.572 0 50 EHAA CCc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)s1 13327055 AXKPHCCGVOHXJL-UHFFFAOYSA-N 328.437 3.799 0 50 EHAA Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCCC2)o1 15860219 QKZAQFUMKBDNIA-MRXNPFEDSA-N 332.831 3.808 0 50 EHAA CCOC(=O)c1oc2cccc(O)c2c1CNCc1ccccc1 23549751 FPBLKUJATPCEGA-UHFFFAOYSA-N 325.364 3.605 0 50 EHAA CC(C)(C)c1cc(C[C@H]2SC(=O)NC2=O)cc(C(C)(C)C)c1O 33968825 QDYYSPGKYXWGSL-CYBMUJFWSA-N 335.469 3.881 0 50 EHAA CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc32)CC1 34033125 BWAKMLKESHKOHK-UHFFFAOYSA-N 348.462 3.843 0 50 EHAA in-vitro Cc1cccc(-c2ncc(CNCc3cncn3CC(C)C)cn2)c1 55255278 IGLVUGXJCPIVGV-UHFFFAOYSA-N 335.455 3.594 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N(Cc1ccccc1)C[C@@H](C)CO 55284863 LFMXGISKYJNNKJ-CQSZACIVSA-N 346.496 3.846 0 50 EHAA Cc1ccc2c(C(=O)N(C)C(C)C)cc(-c3cnn(C)c3)nc2c1C 63846604 STIOKWAUNWCGKV-UHFFFAOYSA-N 336.439 3.733 0 50 EHAA COC[C@@H](C)NCc1nc(-c2ccc(C)cc2)c(-c2ccccn2)[nH]1 67514071 ZYPDNMIWQWRYTE-OAHLLOKOSA-N 336.439 3.572 0 50 EHAA COc1ccc(-c2ccc(C3(O)CCNCC3)cc2)c2ccc(C)nc12 67741130 XUTRAHDXKGVFKB-UHFFFAOYSA-N 348.446 3.790 0 50 EHAA OCc1csc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1 71416063 LWSJMZUCPIDEQR-CYBMUJFWSA-N 345.251 3.520 0 50 EHAA CC(C)[C@@H]1CN(Cc2ccco2)CCC(=O)N1Cc1ccc(F)cc1 71763341 TZNCANSBKKTGFX-IBGZPJMESA-N 344.430 3.678 0 50 EHAA Cc1cccc(CN2CCN(Cc3cccc4cnccc34)CC2)c1 72138935 WJMINGBMTAJGLI-UHFFFAOYSA-N 331.463 3.861 0 50 EHAA COCC[C@@]1(CO)CCCN(Cc2ccccc2OC2CCCC2)C1 91475767 NMTFKWFZXAEEBL-NRFANRHFSA-N 347.499 3.619 0 50 EHAA CC1(C)C[C@H](C(=O)NCc2ccc(F)c(C(F)(F)F)c2)CCO1 97756308 XGORPSSMUHEYIC-LLVKDONJSA-N 333.325 3.666 0 50 EHAA Cc1ccc2c(c1)[C@@H](Cc1nc(C3CC3)nn1-c1ccccc1)C(=O)N2 102570161 NDVVNOCPIJQJFQ-QGZVFWFLSA-N 344.418 3.732 0 50 EHAA CNC(=S)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1 117617308 KZXYIOKOAAHSOE-HNNXBMFYSA-N 329.856 3.648 0 50 EHAA O=C(NCCCCC(F)(F)F)c1cc(=O)c2cc(Cl)ccc2o1 160640306 JNXIGYBRRFOFMI-UHFFFAOYSA-N 347.720 3.909 0 50 EHAA C[C@@H](c1nc2ccccc2o1)N1CCn2c(nnc2-c2ccccc2)C1 181128063 DTICBVDCQAGBKT-AWEZNQCLSA-N 345.406 3.663 0 50 EHAA COc1ccsc1[C@@H](C)NCc1ccnc(N2CCCCC2)c1 186113458 YVKCOHAXWPSTJQ-CQSZACIVSA-N 331.485 3.993 0 50 EHAA O=C(c1cc(-c2ccccc2)no1)N1CC[C@@]2(C1)OCc1ccccc12 186898589 OWFGDTVRJPSYSM-NRFANRHFSA-N 346.386 3.613 0 50 EHAA O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)[C@@H]1C[C@@H]1c1ccco1 222155958 YUDDPXQIYMTIKQ-CIRFHOKZSA-N 329.371 3.559 0 50 EHAA CNC(=S)N1N=C(c2cccc(Cl)c2)C[C@H]1c1ccccc1 225496197 DYDCMVZXFXRJTQ-INIZCTEOSA-N 329.856 3.995 0 50 EHAA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2[C@]23CCCC[C@@]12CC3 247752388 UEUJJEIJBISRCK-HLDKGHONSA-N 333.431 3.949 0 50 EHAA CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)c2cccnc12 248105852 FUPRUKGYGLGSHD-IAGOWNOFSA-N 343.858 3.587 0 50 EHAA CCC[C@]1(C(F)(F)F)CCCN1C(=O)C[C@@H](C)N1CCCCC1=O 253393197 WFAXDFADNWECBR-CZUORRHYSA-N 348.409 3.501 0 50 EHAA O=S1(=O)CC[C@H](c2csc(Nc3ccc(F)c(Cl)c3)n2)C1 295489414 ZFJHIEMOHGAZSD-QMMMGPOBSA-N 346.836 3.581 0 50 EHAA Fc1ccccc1-c1n[nH]cc1CN1CCC([C@@H]2CCCOC2)CC1 374737579 TYWHBOCEOKBGPX-MRXNPFEDSA-N 343.446 3.854 0 50 EHAA C[C@@H](c1ccc(-c2nc(N3CCCCC3)n(C)n2)cc1)N1CCCC1 426593811 PYWWLFPYHKNGPL-INIZCTEOSA-N 339.487 3.629 0 50 EHAA Fc1ccccc1COC1CCN(Cc2nnc(C3CC3)s2)CC1 649406478 VSKPPTBTZZINFR-UHFFFAOYSA-N 347.459 3.736 0 50 EHAA Cc1nc([C@@H]2CCCN(Cc3ccsc3C(=O)O)C2)sc1C 652407443 WQXUBORPXUOCEP-CYBMUJFWSA-N 336.482 3.899 0 50 EHAA C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(Oc2ccc(F)cc2)cc1 677363753 OGSNJCSNCQEOGT-HUUCEWRRSA-N 342.414 3.783 0 50 EHAA CCc1nc2cc(NC(=O)Cc3sc(C)nc3C)ccc2n1CC 823582478 AYINNCJLLAACFE-UHFFFAOYSA-N 342.468 3.873 0 50 EHAA O=C(O)C12CCC(C(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)(CC1)C2 909728628 FJWDLYPQHKOKRW-UUBYJMPYSA-N 341.451 3.549 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)CCc3cc(C)cc(C)c3)C[C@@H]21 1704342610 OPQBOUNWLQXLFY-SVFBPWRDSA-N 329.484 3.636 0 50 EHAA COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(=O)O)oc2c1 1775964937 MHNDGJYCCVRTSX-UHFFFAOYSA-N 330.723 3.820 0 50 EHAA COc1ccc2c(c1)OC(C)(C)C[C@@H]2n1ccnc1-c1cc(C)[nH]n1 1857677826 NWTIJRIZHYIAMQ-INIZCTEOSA-N 338.411 3.741 0 50 EHAA CCOc1ccc(C(=O)N[C@@H]2CCCc3c2c(C)nn3C)cc1Cl 1857678362 WOBJTZFAIUJIER-CQSZACIVSA-N 347.846 3.588 0 50 EHAA COc1ccc([C@H]2CCN(Cc3cc4cnccc4[nH]3)C2)cc1F 2325856123 BLDGLZYQKQIUCA-AWEZNQCLSA-N 325.387 3.700 0 50 EHAA CCc1ccccc1NC(=O)N1CCC[C@@]12CCCN(C(C)C)C2=O 2356152370 GRJWNCWZDJOAEE-HXUWFJFHSA-N 343.471 3.646 0 50 EHAA Oc1ccc(CC2CCN(Cc3cccc4ncsc34)CC2)cn1 2356164270 MOPOYOLLTFGODT-UHFFFAOYSA-N 339.464 3.852 0 50 EHAA CS(=O)(=O)c1ccc(-c2cc(Cl)nn2-c2ccccc2)cc1 9029 YKHNOHGHDAQJFW-UHFFFAOYSA-N 332.812 3.596 0 50 EHAA O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2)N1 186641 PWUCZOIMMZEDLA-JKSUJKDBSA-N 326.783 3.510 0 50 EHAA biogenic,in-vitro CCOC(=O)c1ccc(-c2c(C)oc3cc(OC)ccc3c2=O)o1 408889 NVZFXJLHFYYEIH-UHFFFAOYSA-N 328.320 3.547 0 50 EHAA biogenic O=C1CS[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)cc1 423905 UNDXDEFMFNFZQI-INIZCTEOSA-N 333.796 3.847 0 50 EHAA Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)cc1Cl 859542 QKZXDDASYGFZSB-UHFFFAOYSA-N 348.855 3.959 0 50 EHAA COc1ccc(Cl)cc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCCO3 1067766 UNQMIYDPUMVTTO-LLVKDONJSA-N 345.782 3.594 0 50 EHAA COC(=O)c1ccccc1NC(=O)CCCOc1ccc(C)cc1 1773350 QFGRHQRHUVKSGK-UHFFFAOYSA-N 327.380 3.579 0 50 EHAA O=C(CC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3)NCCO 3125751 OGOUTJBZNBTLDZ-UHFFFAOYSA-N 347.886 3.533 0 50 EHAA CCCCCCNC(=O)CSc1nccn1Cc1ccccc1 6110157 WOAREBPMQSPTOX-UHFFFAOYSA-N 331.485 3.720 0 50 EHAA CCOc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 6715600 SNPCTDTUBUFFFG-UHFFFAOYSA-N 343.402 3.579 0 50 EHAA COc1ccccc1-c1nnc(NC(=O)c2ccc(F)cc2)s1 9327722 ZBTKGQMULSAPEA-UHFFFAOYSA-N 329.356 3.605 0 50 EHAA Cc1nc(CC(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)cs1 12303980 WEAZELCWMBUHKD-QGZVFWFLSA-N 343.496 3.714 0 50 EHAA Clc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2CC3)cc1 13124878 GFCLNQMRKBDWHH-SFHVURJKSA-N 334.810 3.957 0 50 EHAA O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2ccncc2)c1 13633782 UYHHTOAYNNMMKJ-UHFFFAOYSA-N 331.375 3.515 0 50 EHAA Cc1ncsc1C(=O)NCc1cccnc1N1CCCCCCC1 14973862 ZYLZLISDCCXLOS-UHFFFAOYSA-N 344.484 3.547 0 50 EHAA Fc1ccc(C(CCCN2CCNCC2)c2ccc(F)cc2)cc1 19203141 XMRZXPIHMZRNQC-UHFFFAOYSA-N 330.422 3.782 0 50 EHAA CNc1ncccc1CN1CCC[C@H](COc2ccc(C)cc2)C1 55182910 BVGBZQJTEZBNNO-KRWDZBQOSA-N 325.456 3.723 0 50 EHAA CCc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1Cl 57291744 AFGONCKZERFNRT-UHFFFAOYSA-N 330.815 3.579 0 50 EHAA CC[C@H](Cn1ccnc1)NCc1cnc(-c2ccccc2C)s1 65370475 OZOXGBNYTJJKPL-OAHLLOKOSA-N 326.469 3.883 0 50 EHAA Cc1cc(C)c(CN2CCC[C@H](c3ccn[nH]3)C2)c(-n2cccn2)c1 67754806 WCLDWJKTRADDMZ-KRWDZBQOSA-N 335.455 3.592 0 50 EHAA Cc1oc(-c2ccc3ccccc3c2)nc1CN1CC[C@@H](N(C)C)C1 71497696 JGHHKGYIGQLLDW-LJQANCHMSA-N 335.451 3.939 0 50 EHAA COCCc1noc(-c2ccc(-c3c(Cl)cccc3OC)nc2)n1 72143968 AFTMIBRNCFRGHR-UHFFFAOYSA-N 345.786 3.650 0 50 EHAA Cc1ccc2[nH]c(C(=O)N3CCN(C4CCCCC4)CC3)c(C)c2c1 72473100 QEQURUGJQIRTCJ-UHFFFAOYSA-N 339.483 3.875 0 50 EHAA CN(Cc1csc(-c2cccs2)n1)C(=O)CCCn1cccn1 72473622 BESKKAJYTHNIQY-UHFFFAOYSA-N 346.481 3.507 0 50 EHAA O=C(c1cnn2c1CCCC2)N1CCCC[C@H]1c1ccc(F)cc1 85474748 OHKCCQOPYXXDMR-KRWDZBQOSA-N 327.403 3.726 0 50 EHAA COc1c(F)cc(CN2C[C@@H](N(C)C)[C@H](C(C)C)C2)cc1Cl 91381703 QLVNEPOBNWXENS-XJKSGUPXSA-N 328.859 3.506 0 50 EHAA CC(C)Cc1cc(C(=O)N(C)Cc2nc3ccccc3s2)on1 91780087 HLQYTCJSRBODJX-UHFFFAOYSA-N 329.425 3.755 0 50 EHAA CCCc1nc(C(=O)NCc2nn(C)c3cccc(Cl)c23)cs1 92078487 CGAVPGVSPSKVLC-UHFFFAOYSA-N 348.859 3.566 0 50 EHAA COc1ccc2c(c1)OC[C@@H](Cc1ccc(Cn3ccnc3)cc1)C2 95522588 OAULZINKFKFQPL-SFHVURJKSA-N 334.419 3.734 0 50 EHAA COc1cc(C)cc(-c2ccccc2OCCn2ccnc2)c1OC 96133524 YSUDXZAMYYLUJD-UHFFFAOYSA-N 338.407 3.955 0 50 EHAA CCCCn1nc(C2CCCC2)nc1-c1cnc(C(C)C)[nH]c1=O 96137926 IQLAYRYYVZDCJH-UHFFFAOYSA-N 329.448 3.610 0 50 EHAA CCN(CC)[C@H](CNC(=O)Nc1ccc2[nH]ccc2c1)c1ccco1 96164921 INDJASDHNCABOI-QGZVFWFLSA-N 340.427 3.966 0 50 EHAA CC(C)n1cnnc1C1CCN(C(=O)[C@@H](C)c2ccccc2F)CC1 110750162 JFMLRUCLKSAAHF-AWEZNQCLSA-N 344.434 3.508 0 50 EHAA CCc1nc([C@H](C)NC(=O)c2ccccc2-c2nnc(C)o2)cs1 125148625 ALHKQDCGYNABOZ-JTQLQIEISA-N 342.424 3.555 0 50 EHAA CC[C@]1(C)CN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CCO1 135617967 UPZGXKZQEXRDGV-GOSISDBHSA-N 347.484 3.678 0 50 EHAA Cn1c(=O)n(C)c2cc(/N=C/c3ccc(Cl)cc3Cl)ccc21 138651693 PKOHORPBYUUSNN-DJKKODMXSA-N 334.206 3.934 0 50 EHAA C[C@@H](CN)CC(=O)NC1CCC(Sc2ccc(Cl)cc2)CC1 170677985 MCIYUPZTIIOIPU-XEBKBJJBSA-N 340.920 3.844 0 50 EHAA CC(C)Oc1cncc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)c1 186273219 OPRQDRXLEIFGQH-CYBMUJFWSA-N 326.396 3.728 0 50 EHAA O=C(N[C@H]1CCCOc2ccccc21)c1c[nH]nc1-c1ccsc1 189331413 MVEQTBWIRNPQJY-HNNXBMFYSA-N 339.420 3.782 0 50 EHAA CCC(=O)N1CC[C@@H](c2nc([C@H](CC)c3ccc(Cl)cc3)no2)C1 225597088 IPBYHFIIIFENGR-UKRRQHHQSA-N 347.846 3.991 0 50 EHAA O=c1oc2ccc(F)cc2n1Cc1ccc(Cl)c2cccnc12 225654256 RSSAWTZQEIYOAM-UHFFFAOYSA-N 328.730 3.984 0 50 EHAA C[C@H](NC(=O)N1CCCC[C@H]1c1ccnn1C)c1cccc(F)c1F 239653710 BKVQFPBWJDZXFL-LRDDRELGSA-N 348.397 3.696 0 50 EHAA Cc1cc(NC(=O)CNc2c(Cl)ccc3sc(C)nc23)no1 252486870 HPRRARHDSXHKCN-UHFFFAOYSA-N 336.804 3.605 0 50 EHAA Cc1nc(CC2CC2)sc1C(=O)N[C@@H]1CCOc2c(F)cccc21 252493082 MYWOTSZDKGUSQO-CQSZACIVSA-N 346.427 3.797 0 50 EHAA CCS[C@@H]1CC[C@H](N(C)C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 252500756 TVALGJWBVOLPHO-NZSAHSFTSA-N 346.540 3.755 0 50 EHAA O=C(Nc1cccc2c1CN(c1ccccn1)C2)N1C[C@H]2CCC[C@@H]2C1 270376640 VBZFRPYGJVMKLG-HZPDHXFCSA-N 348.450 3.866 0 50 EHAA Fc1ccc2c(CCNC3CCN(c4nccs4)CC3)c[nH]c2c1 272797350 CZEUOPSRPMDCSH-UHFFFAOYSA-N 344.459 3.565 0 50 EHAA CC[C@H](C)OCc1nc(-c2ccc(Oc3ncccn3)cc2)no1 273668119 FQOOJYOALQCSOQ-LBPRGKRZSA-N 326.356 3.634 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(-c2ccccc2)no1 294166636 CGAWINAQSWDWGX-WBAXXEDZSA-N 326.396 3.559 0 50 EHAA O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1CC[C@H]2CNC[C@H]21 299780665 KWCDAPVRHCWVBI-MAUKXSAKSA-N 341.842 3.833 0 50 EHAA COc1ccccc1-n1cc([C@H](C)NC(=O)C2CCCCC2)cn1 299785497 SJJWVJHHFOJCEY-AWEZNQCLSA-N 327.428 3.638 0 50 EHAA CN(Cc1cccc2cc[nH]c12)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328625673 DKGFVBMAEJPKEU-FPOVZHCZSA-N 334.467 3.688 0 50 EHAA CC(C)c1nccc(N2CCC[C@H]2c2nc3c(n2C)CCCC3)n1 328629769 PDPWYKVSAZWOCY-INIZCTEOSA-N 325.460 3.554 0 50 EHAA Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)CCc1ccncc1 390835756 XLKCTFDQSKUOTQ-UHFFFAOYSA-N 346.843 3.768 0 50 EHAA COCCOc1ccc(-c2ccc(-c3ccccc3OC)nn2)cc1 426440234 GCKMECGVSZZLBS-UHFFFAOYSA-N 336.391 3.844 0 50 EHAA O=C(Nc1c(F)cc(F)cc1F)c1cnc(-c2ccccn2)s1 443915370 BKGANTPWEMJJDM-UHFFFAOYSA-N 335.310 3.875 0 50 EHAA O=C(Nc1cncc(F)c1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 455367492 BPYQEZFZZARLPN-HNNXBMFYSA-N 335.766 3.559 0 50 EHAA O=C(O)c1ccccc1CN1CCC[C@H](c2nc3ccccc3o2)C1 652387047 ZTZBPIWGSCUUMW-HNNXBMFYSA-N 336.391 3.906 0 50 EHAA Cc1nc([C@H]2CCCN(Cc3ccsc3C(=O)O)C2)sc1C 652407444 WQXUBORPXUOCEP-ZDUSSCGKSA-N 336.482 3.899 0 50 EHAA CCc1ccccc1C(=O)N[C@@H](C)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 823534702 AYGJDKPSUUIXTL-XJKVJRSZSA-N 327.468 3.699 0 50 EHAA CCc1csc(CNC(=O)[C@H]2CCCc3c2[nH]c2ccccc32)n1 823542617 LFFJDDTUQHGZDY-HNNXBMFYSA-N 339.464 3.923 0 50 EHAA CCCC[C@H]1CC[C@H](C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CC1 1704280572 GOONXHBQBPDKOA-AFYVEPGGSA-N 344.499 3.752 0 50 EHAA CC(C)=CCN1CCC[C@@]2(CCc3c(O)nc(C(C)(C)C)nc32)C1 1857720258 LKOAKNTUTXNLTK-HXUWFJFHSA-N 329.488 3.726 0 50 EHAA CC(C)C(=O)Nc1cccc2c1CCCN2C(=O)[C@H]1CCC1(C)C 1875267803 ACSUJNMXSZYBPM-OAHLLOKOSA-N 328.456 3.997 0 50 EHAA Cc1[nH]nc(-c2nc(CCOC3CCCCC3)nn2C(C)C)c1C 1875348660 YGAJVYPXTIRVSH-UHFFFAOYSA-N 331.464 3.758 0 50 EHAA Clc1nc2[nH]ccc2c(=NCc2ccccc2-c2ccncc2)[nH]1 2325817711 PBCXMJBIEJVTDJ-UHFFFAOYSA-N 335.798 3.707 0 50 EHAA NCCc1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 2325827064 UQBWFKTWKUGDBF-UHFFFAOYSA-N 341.411 3.703 0 50 EHAA O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)N1CCC2(CC1)CC2 2325900212 PHMWHBKJWBAVTD-OAHLLOKOSA-N 347.890 3.752 0 50 EHAA Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1 210736 WMIHBJODLNHBFF-UHFFFAOYSA-N 338.176 3.914 0 50 EHAA O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc2ccccc12 243679 DMTQCEOTONGGTR-UHFFFAOYSA-N 345.354 3.964 0 50 EHAA O=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1Cl 1060449 VZUJDGNKIHARHV-UHFFFAOYSA-N 327.771 3.961 0 50 EHAA O=C(O)CCSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 2513420 DHRILOMJJCJGHF-UHFFFAOYSA-N 346.305 3.868 0 50 EHAA O=C(c1ccccc1)c1ccccc1NC(=O)c1ccccc1C(=O)O 4542543 OGXJPSXYWISJPN-UHFFFAOYSA-N 345.354 3.868 0 50 EHAA CC[C@@H]1CCCCN1Cc1cc(Br)c(O)c(OC)c1 4987389 UNJVSPPJXWHZBS-GFCCVEGCSA-N 328.250 3.928 0 50 EHAA CCOc1ccc(C2=NNC(=O)[C@H](c3cn(C)c4ccccc34)C2)cc1 5196950 JMTAMUWSSSBSOH-KRWDZBQOSA-N 347.418 3.585 0 50 EHAA Cc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(C)nc4c32)cc1 5346800 OCADKKCAXXTSLL-KRWDZBQOSA-N 344.374 3.733 0 50 EHAA Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c1 5968059 IANYBGFLJYVKHP-UHFFFAOYSA-N 338.436 3.819 0 50 EHAA O=C(O)Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 6729571 WTDUYDWTJAAWJO-UHFFFAOYSA-N 349.184 3.720 0 50 EHAA CCCCc1nc2cc(C(=O)NC[C@@H]3CCN(C(C)C)C3)ccc2o1 12303492 ICWOIDFMYKHXSF-HNNXBMFYSA-N 343.471 3.631 0 50 EHAA COc1ccc(Cl)cc1C(=O)[C@@H]1CCCN(CCCSC)C1 15075237 PTWNGAATKDXXDR-CYBMUJFWSA-N 341.904 3.996 0 50 EHAA CC(C)CCN1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 19227921 MEQHQUIVMDADGK-FQEVSTJZSA-N 349.950 3.973 0 50 EHAA O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2Cl)CC1 19790143 RKWPRPCRMKIWQQ-UHFFFAOYSA-N 349.261 3.951 0 50 EHAA O=C([C@@H]1CC=CCC1)N1CCC[C@@H]2CN(Cc3cccs3)CC[C@H]21 20725747 UAVGTLKTEFEOPG-ZHALLVOQSA-N 344.524 3.917 0 50 EHAA COc1cc(-c2cccc(-c3ccn(Cc4cscn4)n3)c2)ncn1 20781179 KCPQQLVNXZKQHI-UHFFFAOYSA-N 349.419 3.521 0 50 EHAA Cc1cc(=O)[nH]c(-c2ccccc2CN(C)C/C=C/c2ccccc2)n1 23232122 LKULKHBBQMWYJZ-DHZHZOJOSA-N 345.446 3.891 0 50 EHAA Cc1ccc(C(=O)Nc2cc(NC(=O)COC(C)C)ccc2C)cc1 55167538 ILFLIEWUERPLNX-UHFFFAOYSA-N 340.423 3.919 0 50 EHAA Fc1cc(Br)cc(Cl)c1I 63339637 WQAABVMKMRFARY-UHFFFAOYSA-N 335.341 3.846 0 50 EHAA in-vitro CC(C)Cc1cn(C[C@H]2CCCN(C(=O)C3CCCCCC3)C2)nn1 63844927 DKISMOUAUNSIPO-KRWDZBQOSA-N 346.519 3.686 0 50 EHAA Cc1ccccc1-c1nn2c(CN(C)Cc3ccccc3)nnc2s1 67239835 PDRKCQQAHFZKFE-UHFFFAOYSA-N 349.463 3.793 0 50 EHAA O=C(NCCn1cccc1)c1cc(-c2ccncc2)nc2ccccc12 71285368 JWAAIVWTHPKCLG-UHFFFAOYSA-N 342.402 3.528 0 50 EHAA Cc1cc(C)n(C[C@@H](C)n2ccnc2-c2ccc(-c3cc[nH]n3)o2)n1 71422220 ZDPQYICJOPEBID-CQSZACIVSA-N 336.399 3.608 0 50 EHAA C[C@H](O)c1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)n1 72174243 GEXFZAVLZQLSBV-ZDUSSCGKSA-N 345.406 3.685 0 50 EHAA O=C(NCCCCc1ccccc1)c1cc(-c2ccccc2O)n[nH]1 91965753 KRGORNYZXAIFDM-UHFFFAOYSA-N 335.407 3.535 0 50 EHAA COc1cccc(-c2ccc(NC(=O)N3CCCC[C@H]3CN)cc2)c1 97745082 XXQRATPWPXPWML-SFHVURJKSA-N 339.439 3.707 0 50 EHAA Cc1noc(C)c1[C@H](C)CC(=O)N1CCOc2c(Cl)cccc21 159305387 ZRVURRPVYSDKQD-SNVBAGLBSA-N 334.803 3.864 0 50 EHAA C[C@H](NC(=O)N[C@@H]1CCCOCC1)c1ccc(OC(F)(F)F)cc1 183469801 BUBBZBQUWBXTND-WCQYABFASA-N 346.349 3.515 0 50 EHAA CN(CCOc1ccccc1C(=O)O)Cc1nc2ccccc2s1 183931814 KFWWPXOIXFIRTP-UHFFFAOYSA-N 342.420 3.505 0 50 EHAA Cc1c([C@@H](NCc2nc(N(C)C)no2)C(C)C)oc2ccccc12 192782763 PZMHOQZPEYHPTD-INIZCTEOSA-N 328.416 3.677 0 50 EHAA O=C(NCc1nc2cccnc2[nH]1)Nc1ccc(Cl)cc1Cl 193717901 PKNVXRPSGBYDID-UHFFFAOYSA-N 336.182 3.586 0 50 EHAA COc1c(C)cnc(CN(C)C(=O)c2ccc3ncsc3c2)c1C 194999270 CNFBRRYOEUFOSM-UHFFFAOYSA-N 341.436 3.589 0 50 EHAA CCc1cnc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 195558549 MEDWQVACEVMUFX-ZDUSSCGKSA-N 339.505 3.585 0 50 EHAA Cc1oc(C(C)C)cc1C(=O)N[C@H](C)c1nc(-c2ccncc2)no1 219585660 CTRDTCCUGFPMPB-LLVKDONJSA-N 340.383 3.647 0 50 EHAA O=C(N[C@@H](C(=O)O)c1ccccc1)c1cccc(OC2CCCC2)c1 238034875 TUNYIUUICHQMKB-GOSISDBHSA-N 339.391 3.564 0 50 EHAA COc1cccc(CC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 240333446 FDGSSODIUWGEJW-UHFFFAOYSA-N 349.434 3.520 0 50 EHAA Cc1ccc(NC(=O)CNC(=O)c2ccc(C(C)C)cn2)c(Cl)c1 240626716 HIWKTODBNISOQK-UHFFFAOYSA-N 345.830 3.535 0 50 EHAA O=C(NCC1CCC(F)(F)CC1)N[C@@H]1CCOC2(CCCC2)C1 241466201 NVMHMTCLECJNCG-CQSZACIVSA-N 330.419 3.603 0 50 EHAA CCCc1nc(N2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)no1 248188307 ISPFQEDWSQBUOI-MSOLQXFVSA-N 337.423 3.530 0 50 EHAA Cc1ccc(C)n1CC(=O)N1CCC(c2nc3ccccc3o2)CC1 253414126 WOHSXEVSRFMHDP-UHFFFAOYSA-N 337.423 3.652 0 50 EHAA Cc1nn(CC(F)(F)F)cc1C(=O)N1CCC(C)(C(C)C)CC1 275304740 XFBWCENPQLZQOD-UHFFFAOYSA-N 331.382 3.652 0 50 EHAA Cc1ccc2c(c1)CN(Cc1csc(-c3ccccn3)n1)CCO2 285529017 KUKKFRGLUWMTCK-UHFFFAOYSA-N 337.448 3.908 0 50 EHAA CC(C)CN(C(=O)CCCc1nc(O)c2ccccc2n1)C(C)C 298290868 NMXWEJPNRIRIGF-UHFFFAOYSA-N 329.444 3.551 0 50 EHAA Cc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)n1C(F)F 299765605 ATBGGIOSGLIGHL-UHFFFAOYSA-N 348.393 3.670 0 50 EHAA c1cc(CN2CCSCC2)cc(Nc2ncnc3ccccc23)c1 301208120 SPJJSVTWBJODHN-UHFFFAOYSA-N 336.464 3.922 0 50 EHAA C[C@@H]1C[C@@H](CO)CN(C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)C1 333549246 OZSYXVWACBYOLI-QKGCVVFFSA-N 349.500 3.529 0 50 EHAA CCc1noc(CN(CC)C(=O)Nc2ccc(C)c3ncccc23)n1 426500307 QWXVEODSBKHFJZ-UHFFFAOYSA-N 339.399 3.543 0 50 EHAA CSCc1ccc(C(=O)Nc2cccc(CN3CCCC3)c2)o1 824920119 UUNQYOPWEZAYAD-UHFFFAOYSA-N 330.453 3.991 0 50 EHAA CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2cc(OC)nn2C)o1 881249669 QAPRIVFCBWHUJR-AWEZNQCLSA-N 346.431 3.733 0 50 EHAA CCc1nn(C)c(Cl)c1CN1CCOc2ccc(Cl)cc2C1 952967430 LKZJGBKGJKWKMR-UHFFFAOYSA-N 340.254 3.684 0 50 EHAA O=C1CC[C@H](NCc2ccccc2C(F)(F)F)CCN1CC1CC1 952968653 CSTJOMOJZXVGOP-HNNXBMFYSA-N 340.389 3.586 0 50 EHAA C[C@@H](O)c1nc2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2[nH]1 952986650 ADMCPJBCMHFEKE-SECBINFHSA-N 347.777 3.590 0 50 EHAA CO[C@@H](C)c1nnc(NC(=O)c2cccc3c(C)c(C)[nH]c23)s1 1506399788 QALKGQQUDXVVIV-JTQLQIEISA-N 330.413 3.596 0 50 EHAA CC(C)N(CCNc1noc(-c2ccccc2)c1C(=O)O)C(C)C 1704303950 DSCSZUJKOONPBM-UHFFFAOYSA-N 331.416 3.571 0 50 EHAA CSCc1nnc2sc(COc3ccc(Cl)c(C)c3)nn12 1776111066 SVYBGIKLYHSGPL-UHFFFAOYSA-N 340.861 3.590 0 50 EHAA O=C(OC[C@@H]1CC[C@@H](C2CC2)O1)c1cc(OC2CCCC2)ccn1 1875311284 SJQYYARASSBLPZ-WMZOPIPTSA-N 331.412 3.517 0 50 EHAA COc1cccc2nc(N3CCN(Cc4ccccc4)[C@H](C)C3)ccc12 2325858204 DCZFKLAYRCITJW-QGZVFWFLSA-N 347.462 3.954 0 50 EHAA Cc1nn(C(C)C)c(C)c1CN1CC2(COc3ccccc3C2)C1 2356135419 DFZSRRICNFHHHM-UHFFFAOYSA-N 325.456 3.518 0 50 EHAA O=C(Nc1ccc(I)cc1)c1ccccc1F 258847 MUHUXUIVLQPNMW-UHFFFAOYSA-N 341.123 3.683 0 50 EHAA C[C@H]1CCc2cc(F)ccc2N1C(=O)/C=C/c1ccc2c(c1)OCO2 473722 VTCQBGAXBIWEKG-FAFAAHBOSA-N 339.366 3.936 0 50 EHAA COC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 507399 DULWLKVQJBNMSS-UHFFFAOYSA-N 335.812 3.857 0 50 EHAA Fc1cccc(Cn2cc(NC(=S)NC3CCCCC3)cn2)c1 2792496 UJSSBSXHANUSMH-UHFFFAOYSA-N 332.448 3.690 0 50 EHAA Cc1cccc(OCCSc2nc3ccccc3n2CCO)c1 2920933 SKOHAUANLBBBQF-UHFFFAOYSA-N 328.437 3.508 0 50 EHAA Cc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccccc1 3409893 LTAISGLUEJQDOZ-UHFFFAOYSA-N 338.436 3.615 0 50 EHAA O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 4612056 STMFJDTXVZATRV-CHWSQXEVSA-N 348.399 3.779 0 50 EHAA CC(=O)Oc1cccc(C(=O)Nc2ccccc2Br)c1 4869186 UDMGIYAYZDNBGK-UHFFFAOYSA-N 334.169 3.627 0 50 EHAA COc1ccc(CNCc2cccc(Br)c2)c(OC)c1 4891728 BDFSLNPUDRXDAM-UHFFFAOYSA-N 336.229 3.756 0 50 EHAA O=C(NCCOc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 5077729 GHECHXQLWDFYDC-UHFFFAOYSA-N 328.170 3.941 0 50 EHAA Cc1cccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1C 6715802 WPBQLTSMMZPACU-UHFFFAOYSA-N 327.403 3.797 0 50 EHAA Cc1cnc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)s1 8015003 WXKISMIQVNSWPU-UHFFFAOYSA-N 338.845 3.712 0 50 EHAA CC[C@@H]1SC(NC(=O)Nc2ccc(Cl)c(Cl)c2)=NC1=O 8971292 PFFNNHVMMLCMEA-VIFPVBQESA-N 332.212 3.523 0 50 EHAA Cc1nnc(S[C@@H](C(=O)NC2CCCC2)c2ccccc2)s1 9194089 XZJSMOKQPJFKOS-CQSZACIVSA-N 333.482 3.739 0 50 EHAA Cc1ccc(NC(=S)NNC(=S)Nc2ccc(C)cc2C)cc1 13543683 MJPGJQKHNCYTBH-UHFFFAOYSA-N 344.509 3.800 0 50 EHAA Cc1ccc(NC(=S)N2CCN(Cc3ccccc3)CC2)c(C)c1 18286265 BUBMOMNOVFVHTB-UHFFFAOYSA-N 339.508 3.818 0 50 EHAA Cc1nc2ccccc2n1CCc1noc(COc2ccccc2)n1 22732845 WIJYNFNEOAYHGX-UHFFFAOYSA-N 334.379 3.549 0 50 EHAA Cc1nc(NC(=O)N2CCC[C@H](c3ccccc3)CC2)nn1C(C)C 23541139 GQFNOUXWMDUTQI-KRWDZBQOSA-N 341.459 3.969 0 50 EHAA CCCCc1cc(=O)[nH]c(-c2ccc(CN3CCCCC3)cc2)n1 48436061 WOMFVGXVTGULSW-UHFFFAOYSA-N 325.456 3.765 0 50 EHAA CC[C@@H](Nc1cccc(OC)c1)C(=O)NCc1cc2ccccc2[nH]1 55061010 YLWFLJGSQYDYIB-GOSISDBHSA-N 337.423 3.683 0 50 EHAA CC1=NO[C@@H](C(=O)Nc2ccccc2OCCCc2ccccc2)C1 55415018 OVOBOOSIFKAGOW-LJQANCHMSA-N 338.407 3.802 0 50 EHAA Cn1nc(-c2ccccc2)c2c1NC(=O)C[C@@H]2COCc1ccccc1 65459444 SVVNBMYWHMJSNW-QGZVFWFLSA-N 347.418 3.730 0 50 EHAA CCc1noc([C@H](C)n2cnc(-c3ccccc3)c2-c2cc(C)n[nH]2)n1 67673954 IWADAJLAHVKPGJ-ZDUSSCGKSA-N 348.410 3.803 0 50 EHAA COc1cc(Cn2ccnc2-c2sccc2C)cc(OC)c1OC 67722967 YVRXKWOYUHZETP-UHFFFAOYSA-N 344.436 3.994 0 50 EHAA CC(=O)NCC[C@@H]1CCCCN1Cc1cc(C2CCCCC2)no1 72150622 XEFCEHXDAYHTFA-KRWDZBQOSA-N 333.476 3.603 0 50 EHAA COC[C@H](C)C1CCN(C(=O)c2cccc(CCC(C)(C)O)c2)CC1 72419154 FJLAZVJDGHMEND-INIZCTEOSA-N 347.499 3.525 0 50 EHAA Cc1nc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c2ccccn12 72432047 QMXQDBYRDYLBOW-MRXNPFEDSA-N 345.450 3.899 0 50 EHAA Cc1occc1C(=O)N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1 77356478 YFKYXTOHNHLNDT-QGZVFWFLSA-N 349.434 3.922 0 50 EHAA Cc1cc(N[C@@H](C)c2nnc(C(C)C)o2)nc(-c2ccccc2O)n1 91391450 APQFPDDNJAYZJZ-LBPRGKRZSA-N 339.399 3.837 0 50 EHAA Cc1ccc2c(C)c(C(=O)N3CCC[C@H]3c3nonc3C)oc2c1 91665630 RZLYKFMGVNUVLV-AWEZNQCLSA-N 325.368 3.718 0 50 EHAA O=C1NCCC[C@@]12CCN(Cc1ccc(SC3CCCCC3)o1)C2 91755218 URMSIBBMUKQMCD-IBGZPJMESA-N 348.512 3.807 0 50 EHAA FC(F)(F)c1ccnc(N[C@@H](Cn2cccn2)c2ccccc2)n1 92098119 ZEYDQNAQDVCKBJ-ZDUSSCGKSA-N 333.317 3.545 0 50 EHAA C[C@H](NC(=O)CCCc1cn[nH]c1)c1ccccc1C(F)(F)F 97370504 IULLLSTWPVWMCX-NSHDSACASA-N 325.334 3.629 0 50 EHAA O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@H]1c1ncon1 122737219 KBPLDTUBSVRNEX-AWEZNQCLSA-N 330.775 3.572 0 50 EHAA CC[C@@H](SC)C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 129981907 QKDUICNRJAQCDG-OAHLLOKOSA-N 347.415 3.553 0 50 EHAA CCN(CC)CCc1ccc(NC(=O)NCc2ccccc2)cc1 137813205 YBYRDDNZCNZAPU-UHFFFAOYSA-N 325.456 3.893 0 50 EHAA Cc1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c(C)c1 174352114 FUUUEGUYNRFJPW-UHFFFAOYSA-N 337.398 3.601 0 50 EHAA Cn1cc([C@H]2CCCN2Cc2cccc(OCc3ccccn3)c2)cn1 179446174 LDQQGFVWBYZVET-OAQYLSRUSA-N 348.450 3.731 0 50 EHAA Cc1cc([C@@H]2CCCN2Cc2nn(C)c3cccc(Cl)c23)on1 214974729 FQUQDNDDPMDRAV-AWEZNQCLSA-N 330.819 3.860 0 50 EHAA Cc1cc(C(=O)N[C@@H](C)Cc2cnccn2)sc1-c1ccccc1 223795683 CWVZWIKYBXNISG-AWEZNQCLSA-N 337.448 3.875 0 50 EHAA COc1ccc2ccccc2c1CNC(=O)N1CC[C@H](OC)C[C@H]1C 225650091 ZRYIXQLKFWEFJE-ZBFHGGJFSA-N 342.439 3.557 0 50 EHAA C[C@H](NC(=O)CN1CCC[C@H]1c1cccs1)c1ccc(F)cc1 242389226 ZVIKUQAKSZZNHK-BBRMVZONSA-N 332.444 3.902 0 50 EHAA CCN(C(=O)C(=O)N[C@@H](C)c1ccccc1)[C@@H](C)c1ccc(F)cc1 253410572 ZPPTUMROKZNKAH-GJZGRUSLSA-N 342.414 3.613 0 50 EHAA CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 257365865 XIKNSFRTBPWJFA-BZUAXINKSA-N 327.428 3.567 0 50 EHAA Cc1nn(CC(=O)N[C@@H](C)CCCC(C)C)c(C)c1Br 338039486 NQJDTXPXPLVQLY-NSHDSACASA-N 344.297 3.593 0 50 EHAA C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1c(Cl)cncc1Cl 354941107 JDSSRNJBYDVUFM-JKYUHCHBSA-N 341.169 3.780 0 50 EHAA CC(C)(C)c1nc(CC(=O)N2CCOC[C@H]2c2ccccc2)cs1 374132547 MJWUIQUQEDUZPV-INIZCTEOSA-N 344.480 3.583 0 50 EHAA CO[C@@H]1CC[C@@]2(OC)CCN(Cc3ccc(F)c(Cl)c3)[C@H]2C1 426396356 FLLHWPFXZFFLOL-XOKHGSTOSA-N 327.827 3.638 0 50 EHAA Cc1cc(NC(=O)c2cccc(C(=O)O)n2)ccc1Oc1cccnc1 432116823 REONCUWDJQISJZ-UHFFFAOYSA-N 349.346 3.528 0 50 EHAA Cc1cnn([C@@H]2CCN(C(=O)Nc3ccccc3C(C)(F)F)C2)c1 455773782 CVVAHOADVPBRHL-CYBMUJFWSA-N 334.370 3.782 0 50 EHAA CCC(CC)c1cc(CNC(=O)N2CCC[C@@H](COC)CC2)on1 458446219 COLWZZUTUHXCTC-CQSZACIVSA-N 337.464 3.536 0 50 EHAA C[C@@H](NC(=O)N(C)Cc1cnc2ccccc2n1)C1CCCCC1 534671660 LSDYEBABJULJIC-CQSZACIVSA-N 326.444 3.740 0 50 EHAA Cn1c(=O)ccc2ccc(NC(=O)NC3CCCCCCC3)cc21 786014881 PDPVFVXGNVIBHD-UHFFFAOYSA-N 327.428 3.773 0 50 EHAA O=C(C[C@H]1CCc2ccccc21)Nc1ccc(CC(=O)NC2CC2)cc1 827807457 XPMSBSLJUWSESF-QGZVFWFLSA-N 348.446 3.566 0 50 EHAA O=C1CCCCCN1CCC(=O)N1CCC[C@@H](c2ccccc2)CC1 827929316 IYRLJZGLZOVINR-LJQANCHMSA-N 342.483 3.575 0 50 EHAA O=C(O)c1occc1CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 846253390 CHTROBUDAWBPJC-GFCCVEGCSA-N 339.313 3.986 0 50 EHAA CC(C)(C)n1cc(-c2ccc3sc(CCC(=O)O)nc3c2)cn1 901070780 VRYLDNMJISMDEA-UHFFFAOYSA-N 329.425 3.932 0 50 EHAA CCc1nc2c(C(=O)N(C3CC3)[C@@H](C)c3ccccc3)ccnc2[nH]1 931007980 VNHARRGCBFLERK-ZDUSSCGKSA-N 334.423 3.886 0 50 EHAA Cc1nocc1NC(=O)NC[C@@H](C)c1ccc(Br)cc1 931813435 XKKARLDMRIYVGV-SECBINFHSA-N 338.205 3.671 0 50 EHAA c1ccc([C@H]2CN(Cc3cnc(-c4cccs4)nc3)CCO2)cc1 952978981 MKPWOSAEEAWZLL-QGZVFWFLSA-N 337.448 3.779 0 50 EHAA O=C(O)Cc1cccc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1 1330791176 SKTSBDQVEQEGLN-QGZVFWFLSA-N 343.810 3.944 0 50 EHAA CCCc1noc(CN(C)Cc2cc(-c3ccc(C)cc3)no2)n1 1529173518 XQLIBRQXMSTZLZ-UHFFFAOYSA-N 326.400 3.618 0 50 EHAA COc1ccc2c(c1)CCOC21CCN(Cc2scnc2C)CC1 1704339350 JELDGEKQLHFCQO-UHFFFAOYSA-N 344.480 3.524 0 50 EHAA CCCN(Cc1ccc(C(C)C)cc1)Cc1cnc(C(=O)O)cn1 1772712488 NHGSEXNGGCTFRG-UHFFFAOYSA-N 327.428 3.710 0 50 EHAA CC[C@@]12C[C@@H]1CN(C(=O)C1(c3ccc(OC)c(OC)c3)CCCC1)C2 1772808651 XALBUKMPVHEEFQ-UZLBHIALSA-N 343.467 3.774 0 50 EHAA CC(C)n1ncc2c1C[C@H](N[C@@H](c1ccccc1)C1(O)CCC1)CC2 1875369162 WYPARHPXVSGNSF-QUCCMNQESA-N 339.483 3.567 0 50 EHAA Cc1c(CN(C)C(=O)C[C@@H](N)c2nccs2)oc2c(C)cccc12 2325768782 NGJXJFWKVKBUGK-CQSZACIVSA-N 343.452 3.555 0 50 EHAA O=C(Nc1ccc(C(=O)O)c(O)c1)c1cccc(-c2cccc(O)c2)c1 2325826259 VXYOZELZAGTEFT-UHFFFAOYSA-N 349.342 3.715 0 50 EHAA Fc1ccccc1N1CCN(Cc2ccc(Br)o2)CC1 200038 ZRQAXTBRRSSLML-UHFFFAOYSA-N 339.208 3.503 0 50 EHAA COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1 408786 OEEDCZFQYSINDU-UHFFFAOYSA-N 338.359 3.775 0 50 EHAA O=C(NC1CCCC1)c1cc(-c2ccc(Br)cc2)on1 423615 BHAJUMRXYXNYMT-UHFFFAOYSA-N 335.201 3.777 0 50 EHAA COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)no2)cc1 423659 YMARFMAILUTBRO-UHFFFAOYSA-N 330.290 3.881 0 50 EHAA CCOC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 491444 DCYABHCTBKUOCY-UHFFFAOYSA-N 346.390 3.641 0 50 EHAA CC(=O)Nc1cccc(NC(=S)Nc2cccc(C(C)=O)c2)c1 610160 DLLRZMCYRKTTGE-UHFFFAOYSA-N 327.409 3.657 0 50 EHAA CCOC(=O)C(C(=O)OCC)[C@@H](Nc1ccccc1)c1ccccc1 2072925 VCLKMTAYMZUWSX-SFHVURJKSA-N 341.407 3.582 0 50 EHAA CCOc1cccc2cc(C(=O)Nc3ccc4c(c3)CCC4)c(=O)oc12 2743912 WOESMDWGASIQGA-UHFFFAOYSA-N 349.386 3.933 0 50 EHAA CC(C)(C)NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 2829315 RGMSVVAWEJBIMD-UHFFFAOYSA-N 344.499 3.751 0 50 EHAA Cc1ccccc1OCCSc1nc2ccccc2n1CCO 2914226 JQTZRMHYTDFDTG-UHFFFAOYSA-N 328.437 3.508 0 50 EHAA CCCCc1ccc(NC(=O)C(=O)NCc2ccc(CC)cc2)cc1 2993400 RBANYZYTQPBQOK-UHFFFAOYSA-N 338.451 3.847 0 50 EHAA Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3s2)no1 3423339 UMRFASGHCNCOSM-UHFFFAOYSA-N 339.829 3.977 0 50 EHAA COc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1 3537954 LAAARUORLAAUSI-UHFFFAOYSA-N 338.451 3.588 0 50 EHAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)C1CCCCC1 4513061 WSCAIBIHVGXZNR-UHFFFAOYSA-N 327.428 3.974 0 50 EHAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Cc1ccccc1 5451660 LFZPEBGPLXOHGK-UHFFFAOYSA-N 335.407 3.636 0 50 EHAA COc1cccc(NC(=O)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)c1 6715464 GEERDGDVLJQTNI-INIZCTEOSA-N 339.439 3.746 0 50 EHAA Brc1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1 7524902 MHLOCMXDPZKWBC-AWEZNQCLSA-N 336.229 3.978 0 50 EHAA Cc1ccccc1-c1cnnc(NC[C@@H]2CCCN3CCCC[C@H]23)n1 12439543 XUSMKCYTLIQLPG-QFBILLFUSA-N 337.471 3.523 0 50 EHAA CCOc1ccccc1N1CCN(C(=O)Nc2ccc(C)cc2)CC1 13323623 OYTQRXSLTXWAHN-UHFFFAOYSA-N 339.439 3.748 0 50 EHAA O=C(Cc1ccccc1)N1CCN(Cc2cccc3ccccc23)CC1 19773966 BYWJZILVTHUDPN-UHFFFAOYSA-N 344.458 3.727 0 50 EHAA O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccccc1F 20301718 LIZXGBZGFDAYIN-MRXNPFEDSA-N 346.789 3.722 0 50 EHAA CN(Cc1ccncn1)C(=O)C[C@H](c1ccccc1)c1ccc(F)cc1 55182841 HGEMUKNNWBIBDC-HXUWFJFHSA-N 349.409 3.796 0 50 EHAA CCc1cc([C@@H]2CCCN2C(=O)Nc2cc(OC)cc(OC)c2)on1 64985172 ICHRSMDSZLHOHH-INIZCTEOSA-N 345.399 3.623 0 50 EHAA CCN(CC)c1ncccc1CNC(=O)c1cccc(C)c1Cl 67804389 QLWJEAUKDHKQKE-UHFFFAOYSA-N 331.847 3.820 0 50 EHAA CC(C)c1cc(NCCOc2cccc3cccnc23)n2nccc2n1 72152465 AAQVIDXWTKYIDC-UHFFFAOYSA-N 347.422 3.892 0 50 EHAA CC(C)Cc1noc([C@@H]2CCCN(c3ccc4cc[nH]c4n3)C2)n1 72157272 VHDSGALVXKDJGG-CQSZACIVSA-N 325.416 3.528 0 50 EHAA COc1ccc([C@H](NC(=O)c2ccc3nc(C)cn3c2)C2CC2)cc1 82109292 SOEONQYITNXYKR-LJQANCHMSA-N 335.407 3.532 0 50 EHAA Cc1cc(N2CCCN(C(=O)c3ccc(C(C)C)cc3)CC2)ccn1 82121528 HKNWKQIZJIRTOM-UHFFFAOYSA-N 337.467 3.866 0 50 EHAA COc1cccc([C@@H]2CCN2C(=O)c2ccc(-c3cc[nH]n3)cc2)c1 96165652 ZYMKPWFMZXFLRV-IBGZPJMESA-N 333.391 3.673 0 50 EHAA CCCC[C@H]1C=CCN1C(=O)Nc1ccc(N2CCCC2=O)cc1 97637840 GXEPMTZVWRMKKC-INIZCTEOSA-N 327.428 3.776 0 50 EHAA CC(C)=CCC[C@@]1(C)CCC(=O)N(CC2=CSC3=NCCN23)C1 101760551 BGJMTBZJCGKGQS-SFHVURJKSA-N 333.501 3.621 0 50 EHAA Cc1ccc([C@@H]2CCCCN2C(=O)NCCc2ccncc2C)o1 163910591 PAIHJOIYPYYFEO-KRWDZBQOSA-N 327.428 3.771 0 50 EHAA CC(C)c1cnc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)s1 172676507 RPOFIBFTSZTXRM-UHFFFAOYSA-N 346.452 3.954 0 50 EHAA COc1cccc(-c2noc([C@H](C)NCc3cc(F)ccc3F)n2)c1 174656695 ATZZHDHSRMAPFV-NSHDSACASA-N 345.349 3.874 0 50 EHAA CN1CCOc2ccc(NC(=O)N3CCC[C@@H]3c3ccccc3)cc21 175085011 BRISPWBXBATWHM-QGZVFWFLSA-N 337.423 3.884 0 50 EHAA C[C@H](c1ccco1)N(C)C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 190962396 WWBARMBQTAPAFJ-HFTRVMKXSA-N 328.412 3.760 0 50 EHAA Oc1nc(CN2CC[C@H]3CCCC[C@H]3C2)nc2sc3c(c12)CCC3 239306241 GPLZVKOZVPLPKI-OLZOCXBDSA-N 343.496 3.898 0 50 EHAA C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccnn1CC(F)F 279793139 IXEDTTWTYHJUQJ-NFAWXSAZSA-N 333.382 3.555 0 50 EHAA OC[C@H](NCc1ccccn1)c1ccc(Cl)cc1C(F)(F)F 280252087 LDSNTXAYMMSINR-AWEZNQCLSA-N 330.737 3.577 0 50 EHAA Cc1ccc(-c2nnc(S[C@@H]3CCOC3)n2Cc2ccco2)cc1 284285327 QRGSSPFPRQNGTG-MRXNPFEDSA-N 341.436 3.776 0 50 EHAA O=C(O)C[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 299741283 DKRXPJILRRLNBM-LBPRGKRZSA-N 331.334 3.662 0 50 EHAA COc1cccc([C@H]2CCN2CCC(=O)NC2CCCCCC2)c1 299776617 AOOOGPQSFIRIAC-LJQANCHMSA-N 330.472 3.671 0 50 EHAA CC[C@H](NC(=O)CCc1scnc1C)c1nc2cc(C)ccc2[nH]1 299776694 KMNXLUJNRGLEEQ-ZDUSSCGKSA-N 342.468 3.836 0 50 EHAA CC(C)c1nsc(N2CCC[C@H](N(C)Cc3ccccn3)CC2)n1 328626602 FFWGLLWBZMZEGH-INIZCTEOSA-N 345.516 3.547 0 50 EHAA Cc1ccc(OC2CCN(C(=O)c3ccc4cc[nH]c4n3)CC2)cc1 329411952 ARABDQWELBHCDH-UHFFFAOYSA-N 335.407 3.555 0 50 EHAA O=C(Nc1cccc(-n2ccnc2)c1)c1cccc([C@@H]2CCOC2)c1 341661270 MOTRWMPDKQGVHZ-QGZVFWFLSA-N 333.391 3.629 0 50 EHAA Cc1nc2c(s1)CCC[C@H]2CN(C)c1nnc(-c2ccon2)s1 367818476 OWNSQCOTMBFNSK-JTQLQIEISA-N 347.469 3.514 0 50 EHAA Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)nc1C 412393404 HLNKLUWMBLKANU-SFHVURJKSA-N 334.423 3.942 0 50 EHAA CCc1nc(NC[C@H](O)c2cccc(C(F)(F)F)c2)ncc1C 426442813 BKAQFSDVVZXFHL-AWEZNQCLSA-N 325.334 3.512 0 50 EHAA C[C@]1(C(=O)N2CCN(c3nc4ccccc4s3)CC2)CC=CCC1 448701566 PJHQGHRJOUIVRH-IBGZPJMESA-N 341.480 3.691 0 50 EHAA Cc1ccc(C(c2ccccc2)(c2ccccc2)[C@H](ON)C(=O)O)cc1 675050527 MNKIJEWKTJCVMF-HXUWFJFHSA-N 347.414 3.673 0 50 EHAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNc2nnc(C(C)C)s2)n1 821508387 PJKZCYIBUFBZKF-VIFPVBQESA-N 347.410 3.933 0 50 EHAA Cc1cc(C)nc(CN(C)Cc2ccc(OC(C)C)c(CO)c2)c1 952985466 WAIZVDBGOFZBAX-UHFFFAOYSA-N 328.456 3.610 0 50 EHAA CN(C)c1nc(NCc2cc(-c3ccccc3Cl)on2)ncc1F 1772705705 ZAHSLAHESWRVHS-UHFFFAOYSA-N 347.781 3.602 0 50 EHAA CC(C)=CC[C@@]1(C(=O)N2CCC(C(F)(F)F)CC2)C[C@@H]2CC[C@H]1N2 1857695731 VTWLUUJBOBEVFA-ZMSDIMECSA-N 344.421 3.654 0 50 EHAA Cc1sc(N2C[C@H](C3CC3)O[C@H](c3ccccc3)C2)nc1C(=O)O 1875247737 QCXDQUPGWLPPRZ-LSDHHAIUSA-N 344.436 3.506 0 50 EHAA O=C(C[C@H]1CCNC[C@H]1F)N1CCc2cc(-c3ccccc3)ccc21 1875267311 PJUBBJJJCIKWJJ-IEBWSBKVSA-N 338.426 3.580 0 50 EHAA O=[S@](Cc1cc(-c2cccs2)on1)Cc1nc2ccccc2[nH]1 1875320661 UHSUULDMXCWDBS-HSZRJFAPSA-N 343.433 3.728 0 50 EHAA Cn1cnc2c1CCC[C@@H]2C(=O)Nc1ccccc1-c1nccs1 2325781289 AEHHBVFRFYWAAL-ZDUSSCGKSA-N 338.436 3.602 0 50 EHAA O=C(O)C12CCC(C(=O)Nc3cncc(-c4ccccc4)c3)(CC1)C2 2325788522 MEYSOLWOLRDALJ-UHFFFAOYSA-N 336.391 3.722 0 50 EHAA c1ccc(CCn2cnnc2SCc2ccc3cccnc3c2)nc1 2325824212 UNNJNFYCQRERLB-UHFFFAOYSA-N 347.447 3.756 0 50 EHAA c1cc2cc(C3CCN(Cc4ccc5c(n4)OCCO5)CC3)ccc2[nH]1 2325872241 OFJJXKNCTHGNQT-UHFFFAOYSA-N 349.434 3.714 0 50 EHAA Oc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCNCC1 24923 NDFMTPISBHBIKE-UHFFFAOYSA-N 326.827 3.725 0 50 EHAA in-vitro Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 221528 WPQMTCKAKSEDGF-UHFFFAOYSA-N 330.343 3.862 0 50 EHAA O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc(-c2ccccc2)cc1 342006 ZWKHFMKBLWRYCW-QFIPXVFZSA-N 343.382 3.766 0 50 EHAA CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)O 470692 DMEWCKZDQSPRHP-ZDUSSCGKSA-N 327.380 3.916 0 50 EHAA CCC(=O)Nc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1 609677 OWWRHPAXASHOJF-UHFFFAOYSA-N 331.379 3.601 0 50 EHAA O=C(Nc1ccccc1Sc1ccccc1)c1nc2ncccn2n1 2808738 RWUAVKMUVXQTRL-UHFFFAOYSA-N 347.403 3.528 0 50 EHAA CC(=O)c1c(C)[nH]c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 3067219 CZZKNCDXDIWOMV-UHFFFAOYSA-N 342.420 3.788 0 50 EHAA C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(Cl)cn1 3358107 HHQWKJXRTASPFK-QMMMGPOBSA-N 329.158 3.934 0 50 EHAA COc1ccc(-c2noc(CN3[C@@H](C)CCC[C@H]3C)n2)cc1OC 4487210 IVQNNXPHXLZQCV-BETUJISGSA-N 331.416 3.517 0 50 EHAA Sc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1 6534198 AGBVUYVLJGPQDY-UHFFFAOYSA-N 332.226 3.986 0 50 EHAA CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 12576207 JVKBESDUZPVYBG-CYBMUJFWSA-N 329.421 3.737 0 50 EHAA CN(C(=O)CC1c2ccccc2CCc2ccccc21)C1CCOCC1 15073549 CRTDSDPVOSTXHG-UHFFFAOYSA-N 349.474 3.945 0 50 EHAA O=C(Cc1ccc(F)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 16580668 DHRTWOAHBNOZQO-UHFFFAOYSA-N 340.398 3.633 0 50 EHAA CCc1cc2c(=O)n(Cc3nc4cc(C)c(C)cc4[nH]3)cnc2s1 42496519 BVGCAYKYTPCESM-UHFFFAOYSA-N 338.436 3.562 0 50 EHAA COc1ccccc1/C=C/CN(Cc1ccccc1)C[C@H](C)CO 55393728 XNKBEKFLYXSRGR-HCWHUNCVSA-N 325.452 3.839 0 50 EHAA CNC(=O)c1cc(-c2ccc(OC)c3ncccc23)ccc1Cl 65370035 YNZQSYNNKJDXHF-UHFFFAOYSA-N 326.783 3.923 0 50 EHAA C[C@H](c1cccc(-c2cccc(C(=O)c3nccn3C)c2)c1)N(C)C 65398718 XMHSCDLGJGDEIV-OAHLLOKOSA-N 333.435 3.941 0 50 EHAA CC(C)c1cc(C2CCN(C(=O)c3onc4ccccc34)CC2)[nH]n1 67756892 HYBJJTRXOLWKFO-UHFFFAOYSA-N 338.411 3.694 0 50 EHAA O=C(c1csc(-c2cccs2)n1)N1CCC2(CCCO2)CC1 71760292 FILUNVCPKQOMDX-UHFFFAOYSA-N 334.466 3.657 0 50 EHAA CCCn1nccc1C(=O)N(C)Cc1csc(-c2ccccc2)n1 72479457 TWCURNLUQINXNQ-UHFFFAOYSA-N 340.452 3.689 0 50 EHAA Cc1cncc(C(=O)N2CCCC[C@H]2c2ccc(CN(C)C)cc2)c1 77340094 UWFPQWXWBLALRS-FQEVSTJZSA-N 337.467 3.819 0 50 EHAA CC(C)n1ccnc1C1CCN(C(=O)c2c(F)cccc2F)CC1 92028836 YGDPWHOLHSFYRH-UHFFFAOYSA-N 333.382 3.762 0 50 EHAA CC[C@H](C)Oc1ccccc1NC(=O)NCCSc1nccn1C 96137834 LITBFGZGXJTAGU-ZDUSSCGKSA-N 348.472 3.511 0 50 EHAA C[C@H]1CCC[C@@H](C)N1C(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 103080655 IZADOQCJNQXIRT-JRPNMDOOSA-N 338.810 3.762 0 50 EHAA CCCCCCCCCCCC(=O)O[C@H](C)C(=O)O[C@@H](C)C(=O)O 111862920 AOHBGMDQHXJADT-LSDHHAIUSA-N 344.448 3.855 0 50 EHAA C[C@@H](CC(=O)c1ccco1)NC(=O)c1cc(F)c(F)cc1Cl 155390671 NPLIMHPFCQCQCN-QMMMGPOBSA-N 327.714 3.603 0 50 EHAA CC(=O)N(C)c1cccc(NC(=O)NCc2ccc(C3CC3)cc2)c1 170611987 DYGHYMLRFHATNG-UHFFFAOYSA-N 337.423 3.868 0 50 EHAA COCc1ccc(NC(=O)NC[C@@H]2CCN(C)c3ccccc32)cc1 192497315 FDIFYMQSTJJTED-INIZCTEOSA-N 339.439 3.578 0 50 EHAA CC(C)C(=O)Nc1cccc(NC(=O)c2coc(C3CCC3)n2)c1 193987496 LRPXCHCIFJVION-UHFFFAOYSA-N 327.384 3.789 0 50 EHAA CC1(C)C[C@H](CN2CCN(C/C=C/c3ccccc3)CC2)CCO1 215034501 MZGNZPDCNTYVSW-AQDCRGGLSA-N 328.500 3.523 0 50 EHAA Cc1cccc2nc(C(=O)N(C)CCSc3ccccc3)c(F)n12 216183676 CWCYRENQJKQRPE-UHFFFAOYSA-N 343.427 3.646 0 50 EHAA Cc1nc(I)ccc1Oc1ccnc(Cl)c1 225792223 LDEJSFYGQZEHNO-UHFFFAOYSA-N 346.555 3.835 0 50 EHAA CC(C)CCc1cc(NC(=O)Cc2c[nH]c3ccc(F)cc23)n(C)n1 252483105 DVCXVDDMXMBACP-UHFFFAOYSA-N 342.418 3.810 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 257346280 XHCCPSKYYJBSAA-FNUNUKEPSA-N 332.484 3.774 0 50 EHAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 263213956 ZNKCXEHNIBDWJN-RHSMWYFYSA-N 338.407 3.928 0 50 EHAA Cc1cnc(C2CCN(C(=O)c3cn(C(C)(C)C)nc3C)CC2)s1 278318569 YRVLALDUYHNXQM-UHFFFAOYSA-N 346.500 3.731 0 50 EHAA Cc1ccc2sc(C(=O)N3CCCC[C@@H]3c3nnc[nH]3)cc2c1 296535499 XEQCXSRVVGPLLI-CYBMUJFWSA-N 326.425 3.695 0 50 EHAA Cc1c(C2CCCCC2)noc1NC(=O)c1ccnn1CC(F)F 297608742 BENBBOGLGFZQFO-UHFFFAOYSA-N 338.358 3.745 0 50 EHAA CCN(C[C@@H]1CCCCO1)C(=O)c1cc2c(Cl)cccc2n1C 299761688 XITKWFQQSKMIDS-ZDUSSCGKSA-N 334.847 3.863 0 50 EHAA O=C(CC1=CCCC1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 299786186 MNRJFBLXOBUKLJ-UHFFFAOYSA-N 334.410 3.546 0 50 EHAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cnc(C3CCCC3)[nH]c2=N)C1 329376027 ODBIDPUZHHRHAX-VBKZILBWSA-N 342.487 3.588 0 50 EHAA Oc1cccc(CN(Cc2cccc3c2OCCCO3)CC2CC2)c1 352955237 IQHCLHMGNPJDNG-UHFFFAOYSA-N 339.435 3.966 0 50 EHAA CC1(C)CN(C(=O)c2c[nH]c3ncccc23)CC[C@@H]1C(F)(F)F 360910947 XYQGBJXVWGSYPT-LBPRGKRZSA-N 325.334 3.614 0 50 EHAA CCC(CC)c1n[nH]c(=NC(=O)N2CC3(CCC3)[C@@H]2C(C)C)s1 432642875 NWVUWMCQFIBMSF-ZDUSSCGKSA-N 336.505 3.906 0 50 EHAA COc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)cn1 675589575 QCWUYBQJAGBQGG-HNNXBMFYSA-N 337.379 3.599 0 50 EHAA CN(CCc1ccccn1)C(=O)c1ccc(N2CCCC2)c(Cl)c1 823637475 NHXXGFBQEAEIQX-UHFFFAOYSA-N 343.858 3.650 0 50 EHAA Oc1nc2cccc(CN3CCO[C@@H](c4ccc(Cl)cc4)C3)c2o1 891633897 MWEVMSWJAQSHRC-MRXNPFEDSA-N 344.798 3.760 0 50 EHAA CCc1nc2c(C(=O)N3CCC[C@@H]3Cc3ccccc3C)ccnc2[nH]1 932877920 KGMWXNBMNZWLDP-MRXNPFEDSA-N 348.450 3.676 0 50 EHAA Cc1cccc(N2CCC(NC3CCC4(CCNCC4)CC3)CC2)c1 952868066 AYPLAZRFGKIKMX-UHFFFAOYSA-N 341.543 3.866 0 50 EHAA CCc1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccnc1 1775986632 DRGRREGYZYXOIF-LJQANCHMSA-N 347.422 3.547 0 50 EHAA CCOc1ccccc1NS(=O)(=O)c1ccc(C)cc1OCC 1776002735 APOKAILNTAAFGM-UHFFFAOYSA-N 335.425 3.593 0 50 EHAA Cc1ccccc1C1(C(=O)N2CCC(c3ccccc3CN)CC2)CC1 1875306318 AAVZKGHYZGQCQT-UHFFFAOYSA-N 348.490 3.892 0 50 EHAA C[C@H](c1ccccc1)N1CC[C@@]2(CCN(C(=O)Cc3ccco3)C2)C1 1875362141 SVYHUAKEQOCEIY-DYESRHJHSA-N 338.451 3.508 0 50 EHAA Cc1nc([C@H]2CCCN(C(=O)c3c[nH]c4c(F)cccc34)C2)[nH]c1C 2325821801 BKAWHYJVZILAFK-ZDUSSCGKSA-N 340.402 3.667 0 50 EHAA C[C@H]1CC[C@H](NC(=O)c2ccccc2NC(=O)c2ccccn2)CC1 2325897680 DNICTLBGEMCQLE-SHTZXODSSA-N 337.423 3.642 0 50 EHAA CC(C)C(=O)N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl 273275 YZGSINBFOJGTEW-NSHDSACASA-N 327.614 3.706 0 50 EHAA CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1 315267 ZXQMCHVVIDNZEW-MHWRWJLKSA-N 340.766 3.643 0 50 EHAA CSc1c(C)cccc1OCC(=O)Nc1ccc(NC(C)=O)cc1 472150 GFOUXTJFWLGAPP-UHFFFAOYSA-N 344.436 3.693 0 50 EHAA COc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 1473185 DALMDJUAIKVLPE-UHFFFAOYSA-N 325.286 3.732 0 50 EHAA Cc1ccc(S[C@H](C)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 2881657 LOXARIBRQQCSPJ-CQSZACIVSA-N 334.529 3.901 0 50 EHAA Clc1cc(Br)ccc1OCCOCCN1CCCC1 3462072 ASKHYWRLPFBVEM-UHFFFAOYSA-N 348.668 3.594 0 50 EHAA CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(Cl)cc2)C[C@H]1C(=O)O 4241338 CYTDFJOBCYJCOQ-OCCSQVGLSA-N 339.819 3.593 0 50 EHAA COc1ccccc1NC(=O)c1ccc(NC(=O)CC(C)C)cc1 4841575 JAIUFYROOFMDAL-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA Cc1ccc(C)c(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccc3)n2)c1 6767336 IZSSUXADLUKUCN-MRXNPFEDSA-N 347.418 3.727 0 50 EHAA O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN1C1CCC1 11874242 KZBHQSFMFWWKRX-SFHVURJKSA-N 337.423 3.829 0 50 EHAA CN(Cc1ccccc1)C(=O)CCC1CCN([C@@H]2CCSC2)CC1 12072336 QLKALBUKKOZJDM-LJQANCHMSA-N 346.540 3.643 0 50 EHAA CCCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C 17070372 DAGBAPKNRMWHBZ-UHFFFAOYSA-N 328.460 3.544 0 50 EHAA CCn1ncc2c1NC(=O)C[C@H]2c1ccc(-c2ccccc2F)o1 65432682 HNKXJZDOTVUQOM-GFCCVEGCSA-N 325.343 3.776 0 50 EHAA CC(C)c1ccc(N2CCC(CO)(CCc3ccccc3)CC2)nn1 67790773 YPPSZVNNXQZSFL-UHFFFAOYSA-N 339.483 3.812 0 50 EHAA COc1ccc(-c2nc(CN3CCC(F)CC3)c(C)o2)c(OC)c1C 67947685 WVRQWKVXBZBRSU-UHFFFAOYSA-N 348.418 3.910 0 50 EHAA c1coc(-c2nnc(CN3CCO[C@@H](CC4CCCCC4)C3)o2)c1 71745500 FSEAQXUPTFQHBT-HNNXBMFYSA-N 331.416 3.501 0 50 EHAA O=C1CCCN1c1cccc(C(=O)N2CCCC[C@H]2c2ccccn2)c1 72408672 YPWUUEPIHQGOBU-IBGZPJMESA-N 349.434 3.576 0 50 EHAA Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)s1 72428989 KRZZMWUGMUECFD-AWEZNQCLSA-N 344.415 3.753 0 50 EHAA Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ccc(CN(C)C)cc1 77354079 JZRZYQUAUXHDCQ-QGZVFWFLSA-N 343.496 3.881 0 50 EHAA CC(C)c1noc([C@H]2CCCN2Cc2ccc3nsnc3c2)n1 77504925 LLRDEPQTEQSVSZ-CQSZACIVSA-N 329.429 3.535 0 50 EHAA CC(C)(C)OC(=O)N1CCC(Br)(Br)CC1 97463395 IBTAYOVUDZSXKE-UHFFFAOYSA-N 343.059 3.503 0 50 EHAA Cc1cc(NC(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)no1 173415681 GRNYVKNRQILOPM-LBPRGKRZSA-N 334.445 3.974 0 50 EHAA COc1ccc2c(c1)N(Cc1nnc(-c3ccccc3)o1)C[C@H](C)O2 173941945 MBIWNBIGUSMWHA-ZDUSSCGKSA-N 337.379 3.533 0 50 EHAA CN1CCOc2ccc(NC(=O)N3CCC[C@H]3c3ccccc3)cc21 175085027 BRISPWBXBATWHM-KRWDZBQOSA-N 337.423 3.884 0 50 EHAA O=C(c1cccc(C(F)F)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 179353332 JIPNVFUJSNTITO-AWEZNQCLSA-N 346.381 3.640 0 50 EHAA Clc1ccc(-c2noc(CN(Cc3cccnc3)C3CC3)n2)cc1 180284361 XFLIUBQORHBFOB-UHFFFAOYSA-N 340.814 3.950 0 50 EHAA COc1ccc2nc(CN[C@H](C)c3ccncc3OC)sc2c1 187069616 JEWVZGNIUHWSLR-LLVKDONJSA-N 329.425 3.559 0 50 EHAA CN1C[C@@H]2CC[C@H](C1)CN2C(=O)c1cccc2c(Cl)cccc12 219641123 FWROMWSZWZLSJN-KGLIPLIRSA-N 328.843 3.659 0 50 EHAA CCOc1ccc(NC(=S)NC[C@@H](C)N2CCCC[C@H]2C)cc1 241515743 OHQMANMYSVAPKK-HUUCEWRRSA-N 335.517 3.635 0 50 EHAA Clc1cc2c(c(CN3CCC[C@@H]3c3cccnc3)c1)OCOC2 253419795 IWDTZYGGJAAMDI-QGZVFWFLSA-N 330.815 3.939 0 50 EHAA CN1CCc2nc(/C=C/c3cccc(Cl)c3Cl)nc(O)c2C1 253630362 UYEOYSNJUWWZPN-AATRIKPKSA-N 336.222 3.647 0 50 EHAA OC1(c2ccc(-c3ccccc3)cc2)CCN(Cc2c[nH]cn2)CC1 280219843 KZVYKNKOTAOZMP-UHFFFAOYSA-N 333.435 3.560 0 50 EHAA COc1ccccc1CCc1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 299740776 BRYILPHJDLTXPP-YOEHRIQHSA-N 330.428 3.782 0 50 EHAA CN1CC[C@@H](CNc2ncccc2C(F)(F)F)[C@@H]1c1cccnc1 377986926 NCCQOJGWBBZZNC-ZFWWWQNUSA-N 336.361 3.600 0 50 EHAA O=C(CCc1ccccn1)N1CC(c2cccc(C(F)(F)F)c2)C1 408521366 QWCUGTJENPKLRH-UHFFFAOYSA-N 334.341 3.659 0 50 EHAA O=C(NCCc1cccnc1)c1c(F)ccc(SCC2CC2)c1F 448661604 TYRPIVXPKAJWCP-UHFFFAOYSA-N 348.418 3.834 0 50 EHAA COc1cc(-c2ccc([C@@H](C)N3CCCCC3)cc2)nc(OC)n1 534640161 ZLSNEZRWCIRTEH-CQSZACIVSA-N 327.428 3.708 0 50 EHAA O=C(NCC[C@H]1CCC(F)(F)C1)N[C@@H]1CCO[C@H]1c1ccccc1 896071318 KOAWQZAYEWUVOK-BMFZPTHFSA-N 338.398 3.641 0 50 EHAA CN1CC[C@H](CNC(=O)Nc2c(-c3ccccc3)[nH]c3ccccc23)C1 933827891 YGZHOHANNZFPGB-OAHLLOKOSA-N 348.450 3.908 0 50 EHAA COc1c(Cl)cccc1CNC(=O)N[C@@H]1CCc2c(O)cccc21 1335518470 DOPFOKXHNAONGN-OAHLLOKOSA-N 346.814 3.541 0 50 EHAA CCOc1ccc(CCNC(=O)c2ccc3ncsc3c2)cc1 1439865584 IPMSUSGNLGDLSS-UHFFFAOYSA-N 326.421 3.668 0 50 EHAA CCc1nccc(CN2C[C@H](C(C)C)O[C@H](c3ccccc3)C2)n1 1529195923 QUPWKXPCEFEKRC-MOPGFXCFSA-N 325.456 3.637 0 50 EHAA CC1=CC2(CCN(C[C@H](C)Cc3ccc4c(c3)OCO4)CC2)OCC1 1704304444 RLYOJYZLPIRZMY-QGZVFWFLSA-N 343.467 3.795 0 50 EHAA O=C(O)c1csc([C@H]2CCCN(Cc3coc4ccccc34)C2)n1 1875283082 FNAPRCLCBMIZBB-LBPRGKRZSA-N 342.420 3.967 0 50 EHAA CC(C)n1cnc2ccc(CNC(=O)c3cc(-c4ccoc4)[nH]n3)cc21 1875323140 YSEZTCQASNQPPA-UHFFFAOYSA-N 349.394 3.530 0 50 EHAA CC1CCC([C@@](C)(O)CNC(=O)c2ccc3c(c2)CCCC3)CC1 2325842263 SLQVJZJZDFNRRH-ZJKHUDDUSA-N 329.484 3.873 0 50 EHAA COc1cccc(C2CN(Cc3c(C4CC4)nn4ccccc34)C2)c1 2325858297 HVSSBIJLDYQJGP-UHFFFAOYSA-N 333.435 3.820 0 50 EHAA Cn1nc(-c2ccccc2)cc1CN1CCC(c2cscn2)CC1 2325858473 ONOODIRLTUTIDZ-UHFFFAOYSA-N 338.480 3.923 0 50 EHAA NCc1cc(C(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)co1 2325859212 RAZBCTAASLWBBA-UHFFFAOYSA-N 333.800 3.768 0 50 EHAA Cc1cccc2c(C(=O)O[C@H](C(=O)N(C)C)c3ccccc3)coc12 2325874322 IIWRADYJEKOTJL-SFHVURJKSA-N 337.375 3.728 0 50 EHAA O=C(c1ccc([C@H]2CCCO2)s1)N1CCc2ccccc2CC1 2356150347 YCVPXAMOJVVEJL-MRXNPFEDSA-N 327.449 3.841 0 50 EHAA CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc2ccccc12 69458 AOBHXPSTFJZRKJ-SGTLLEGYSA-N 338.407 3.809 0 50 EHAA CC(C)CC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)C1 305378 NHKUFRFERMVIFG-AWEZNQCLSA-N 348.752 3.839 0 50 EHAA Cc1ccc2nc(-c3cccnc3)cc(C(=O)Nc3nncs3)c2c1 527678 ZAVGCBHEYNNFQU-UHFFFAOYSA-N 347.403 3.709 0 50 EHAA Cc1cc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)no1 2380858 HFFXLYHRNRKAPM-UHFFFAOYSA-N 341.603 3.744 0 50 EHAA in-vitro CCCCc1cc(=O)oc2c(C)c(OCC(=O)OC(C)C)ccc12 2479749 ZOJAYAQKHVCAOG-UHFFFAOYSA-N 332.396 3.774 0 50 EHAA C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc(F)c1 4739958 FALBHNDGYWUKCG-SNVBAGLBSA-N 338.176 3.994 0 50 EHAA CCOc1ccc(C(=O)N(CC)Cc2ccncc2)cc1OCC 6714464 DLEZQRSILIPZMC-UHFFFAOYSA-N 328.412 3.541 0 50 EHAA Nc1nnc(SCC(=O)Nc2ccc(C3CCCCC3)cc2)s1 8391414 RHIJJARUHCSDBJ-UHFFFAOYSA-N 348.497 3.899 0 50 EHAA CCOc1ccccc1NC(=O)C(=O)c1c[nH]c2c(CC)cccc12 9615220 DEFBBGUDRPBCAM-UHFFFAOYSA-N 336.391 3.950 0 50 EHAA CC1CCN(c2ncnc3c2cnn3Cc2ccccc2Cl)CC1 10490892 YDNMEOPRBRYCEV-UHFFFAOYSA-N 341.846 3.764 0 50 EHAA CC(C)C(NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)C(C)C 12382017 BJWWMTNEWFAJOJ-UHFFFAOYSA-N 334.479 3.835 0 50 EHAA Cc1nc(NC(=O)Cc2ccc(Br)cc2)sc1C 13324180 VPWQOMIOSTXPEW-UHFFFAOYSA-N 325.231 3.704 0 50 EHAA COc1ccc(CC[C@H]2CCCN(C(=O)CC(F)(F)F)C2)cc1 15079492 QYCUFZORUGSKMX-CQSZACIVSA-N 329.362 3.819 0 50 EHAA Cc1nnc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)s1 16623329 BANUGKURBKJYGC-SECBINFHSA-N 330.438 3.514 0 50 EHAA Cc1cc(C)cc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)c1 16652247 DFVMJNPMHRYMLP-UHFFFAOYSA-N 349.419 3.722 0 50 EHAA Cc1n[nH]c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 18140417 YGQMGFUWCVZGFE-UHFFFAOYSA-N 340.408 3.636 0 50 EHAA CCC[C@H](C)n1ncc2[nH]c(-c3ccc(OCC)c(CO)c3)nc21 19228030 JFAFNHOKKYYDBI-LBPRGKRZSA-N 328.416 3.679 0 50 EHAA CCCOc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 38151482 PFSHWYHTJARUPY-UHFFFAOYSA-N 329.425 3.880 0 50 EHAA CC(C)c1cc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)ncn1 67851066 HKETYOUPPFPKJV-UHFFFAOYSA-N 337.402 3.504 0 50 EHAA c1ccc(CNc2ncc(CN3C[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3)cn2)cc1 71735631 PDUQYEZCAQXBIR-FGYAAKKASA-N 334.467 3.567 0 50 EHAA C[C@@H]1CCCCN1C1CN(C(=O)CCCc2ccc(Cl)cc2)C1 77469825 WVYKVDUOYMFYSA-OAHLLOKOSA-N 334.891 3.748 0 50 EHAA COc1ccc(N2C[C@H](C)N(Cc3cccc(Cl)c3)CC2=O)cc1 82120685 PBFZYJLPKVVJFU-AWEZNQCLSA-N 344.842 3.586 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)NCc1nncn1C1CCCCC1 92037683 DIQUAHGQWVFZMC-INIZCTEOSA-N 338.455 3.520 0 50 EHAA CCc1nc(CN2CCC[C@H](c3ccc(C(=O)O)cc3)C2)cs1 95392940 PNNMNUNUTBSICT-HNNXBMFYSA-N 330.453 3.783 0 50 EHAA CCCn1nc(CCSC)nc1-c1c(F)cc(OC)cc1F 96149438 GFXVDZGWNSZLNH-UHFFFAOYSA-N 327.400 3.547 0 50 EHAA FC1(F)[C@@H]2c3ccccc3[C@@H](N3CCNCC3)c3ccccc3[C@@H]21 100046867 RNCPKPNQPISLFR-REPLKXPHSA-N 326.390 3.511 0 50 EHAA in-vitro Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC(C)(C)CO)(C4)C2)C3)cc1 100628704 WYEZTWHPJMYDRC-WZGNDQMWSA-N 341.495 3.720 0 50 EHAA CCc1cc(C(=O)NCc2nc(C(F)(F)F)cs2)oc1CC 127281497 IYGQILCBLWEIDL-UHFFFAOYSA-N 332.347 3.810 0 50 EHAA Cc1n[nH]c(C)c1NC(=O)CN(c1ccc(F)cc1)C1CCCC1 154502820 NSBSIZBMCVLCGI-UHFFFAOYSA-N 330.407 3.553 0 50 EHAA Cc1nc(S)sc1CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 159977341 CUFZQEFZLKLQJI-GFCCVEGCSA-N 348.493 3.701 0 50 EHAA C[C@@H]1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)c2c(O)cccc21 170597399 HSCFTNBIWYIGNO-OAHLLOKOSA-N 347.418 3.661 0 50 EHAA O=C(Nc1nc2ccccc2n1-c1ccccc1)C1CCC(O)CC1 194234812 KALZKEBWCYZPAA-UHFFFAOYSA-N 335.407 3.515 0 50 EHAA Clc1cccc2ccc(CN3CCC(Cn4cccn4)CC3)nc12 215126381 GQIFMJCDTPRAAE-UHFFFAOYSA-N 340.858 3.997 0 50 EHAA O=C(CCCc1ccccc1)Nc1ccc(-n2ccc(C(=O)O)n2)cc1 238234834 AYJWSEWODJSWMX-UHFFFAOYSA-N 349.390 3.532 0 50 EHAA Cc1ccc(CCC(=O)NC[C@@H](c2ccnn2C)C(C)C)c(C)c1 240551445 GTTRITOWZMRWJE-GOSISDBHSA-N 327.472 3.526 0 50 EHAA O=C(NC1(C(=O)O)CCCC1)c1ccccc1-c1ccc(F)cc1 244723608 MEKUKKFPSQPJMJ-UHFFFAOYSA-N 327.355 3.620 0 50 EHAA C[C@@H]1C[C@@H](C)n2nccc2N1C(=O)C[C@H]1CCOc2ccccc21 245339374 SHWJVGYCWVPWDN-RBSFLKMASA-N 325.412 3.526 0 50 EHAA CCN(C(=O)c1ccnn1CC(F)F)c1ccc(C(F)(F)F)cc1 253392148 ZIVSDQTVQSGNLH-UHFFFAOYSA-N 347.287 3.834 0 50 EHAA C[C@H](NC(=O)c1cc2ccccc2c(O)n1)[C@H]1C[C@H]1c1ccccc1 253532475 UVRFXRPSOJHGBM-VHSSKADRSA-N 332.403 3.862 0 50 EHAA C[C@H](C(=O)O)c1cccc(NC(=O)c2cccc([C@H]3CCOC3)c2)c1 262821277 AVUFEKQQCFVGQV-GUYCJALGSA-N 339.391 3.631 0 50 EHAA C[C@@H]1CNCC[C@@H]1NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2 262920814 ZHTRQZHGVAMISZ-ZHRRBRCNSA-N 348.490 3.695 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(O)cc(C(F)(F)F)c1 263532465 XGPMTHCBPOHTCQ-DFBGVHRSSA-N 343.345 3.629 0 50 EHAA O=C(NC1(c2nccs2)CCCC1)c1ccc(Br)o1 265240223 XWVZPRUIZSLOFZ-UHFFFAOYSA-N 341.230 3.698 0 50 EHAA CCOC1(c2nc(-c3ccc(N4CCCC4=O)cc3)no2)CCCC1 290257582 URTKJQGCVJTWCX-UHFFFAOYSA-N 341.411 3.669 0 50 EHAA Cc1ccoc1C(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 305258396 PUOXCHRIRSTWEF-ZIAGYGMSSA-N 339.313 3.555 0 50 EHAA Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)C[C@H]1CCO[C@H](C(C)C)C1 329279835 DJBRNKBQHDWKKP-ULQDDVLXSA-N 333.476 3.531 0 50 EHAA O=C(NCc1csc(-c2ccccc2)n1)N1C[C@H]2CC=CC[C@H]2C1 426535646 QPTMZZAKJQXFOF-IYBDPMFKSA-N 339.464 3.918 0 50 EHAA Cn1nc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)c2c1CCCC2 426599581 LXXQKVRWJAGEJR-KRWDZBQOSA-N 337.467 3.565 0 50 EHAA CC(C)Oc1cc(-c2cccc([C@H](C)N3CCCC3)c2)[nH]c(=N)n1 426615064 GPCCOKDRVWYPDZ-AWEZNQCLSA-N 326.444 3.500 0 50 EHAA Cc1ncsc1CNC1CCN([C@H](C)Cc2ccccc2)CC1 449130574 ZITGZAJEWLQROP-OAHLLOKOSA-N 329.513 3.637 0 50 EHAA CCn1ccnc1[C@H](NCCc1cccc(C)c1)C1CCOCC1 449315179 GZTMBXLQZPFMPL-LJQANCHMSA-N 327.472 3.511 0 50 EHAA COCCN(Cc1ccc2c(ccn2C)c1)Cc1ccccc1F 824405452 KRYGQAHETYUJRJ-UHFFFAOYSA-N 326.415 3.966 0 50 EHAA Cc1ccc(F)c2oc(C(=O)NC[C@@H]3CCC34CCOCC4)cc12 828450787 HRGHCIWBUYKSCA-ZDUSSCGKSA-N 331.387 3.817 0 50 EHAA COc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(Cl)s2)on1 885242986 VAVVLVBKXLNLRD-HNNXBMFYSA-N 340.832 3.636 0 50 EHAA Cc1csc(CN2CCC([C@H](CC(=O)O)c3ccccc3)CC2)n1 901598595 DYYKJJHFSBUZDK-QGZVFWFLSA-N 344.480 3.922 0 50 EHAA COc1cc(F)cc(OC)c1C=Cc1ncc(C(=O)O)c(C(C)C)n1 1857528169 LDROWSOBQSLJKC-UHFFFAOYSA-N 346.358 3.625 0 50 EHAA NC[C@H]1CCCc2ccc(C(=O)N[C@@H](Cc3ccccc3)C3CC3)cc21 1875356675 QAFGIGNLIZZPEH-IRLDBZIGSA-N 348.490 3.816 0 50 EHAA COCCO[C@@H]1CCCC[C@H]1N[C@H](C)c1cccc2cccnc12 2325794965 YBHMCMUIFNKKIW-ATZDWAIDSA-N 328.456 3.860 0 50 EHAA C[C@@H](CCSc1ccccc1)OC(=O)c1c[nH]cc(Cl)c1=O 2325854644 OCIVQNLDBVKNOM-NSHDSACASA-N 337.828 3.756 0 50 EHAA C[C@@H](NCc1cnc(C2CCOCC2)nc1)c1cccc2cccnc12 2325858377 LARDBOLMAQDCMC-OAHLLOKOSA-N 348.450 3.770 0 50 EHAA COc1cccc(CN(C)c2noc(-c3ccccc3)c2C(=O)O)c1 2356157888 WHNWXDOGOCYMSE-UHFFFAOYSA-N 338.363 3.685 0 50 EHAA Cc1cc(Br)ccc1NS(=O)(=O)c1ccccc1 102263 VHFALPWQVDNHQA-UHFFFAOYSA-N 326.215 3.558 0 50 EHAA CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 310789 QSJHPXREXIYYRP-UHFFFAOYSA-N 341.816 3.548 0 50 EHAA Cc1cccc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)c1 342121 JNMILSZYCZXTMU-UHFFFAOYSA-N 328.437 3.909 0 50 EHAA COc1cc(NC(=O)c2ccccc2Br)cc(OC)c1 450032 PGXNNIBGASECRK-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA Cc1ccc(CN2C(=O)S/C(=C\c3ccc(O)cc3)C2=O)cc1 1018944 BZUFZQJSSJNYOY-YBEGLDIGSA-N 325.389 3.937 0 50 EHAA Nc1nc(-c2cc3ccccc3o2)nc(N2CCc3ccccc32)n1 2332076 OSMOGPUYCZVETM-UHFFFAOYSA-N 329.363 3.561 0 50 EHAA Cc1ccccc1-c1cc(C(=O)Nc2nc[nH]n2)c2ccccc2n1 2742086 NKYPFZCOHFPMGN-UHFFFAOYSA-N 329.363 3.581 0 50 EHAA CCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4)c3)nn12 8071440 KLFWQHNXXPXGEG-UHFFFAOYSA-N 349.419 3.668 0 50 EHAA COc1ccccc1C(=O)Nc1ccccc1OC[C@@H]1CCCO1 10155966 SAADPJNFODSWLP-AWEZNQCLSA-N 327.380 3.505 0 50 EHAA Cc1c[nH]c(CN2CC[C@]3(CCCN(CC4CCCCC4)C3)C2)n1 11661954 AHVVDVBCPJGARC-FQEVSTJZSA-N 330.520 3.586 0 50 EHAA CCc1nnc(NC(=O)[C@H](C)Sc2ccc3ccccc3n2)s1 11907426 XDIIFCMASYFVGR-JTQLQIEISA-N 344.465 3.768 0 50 EHAA C[C@H]1CN(C(=O)c2ccc(COc3ccccc3Cl)o2)C[C@@H](C)O1 12414290 SOJJQDYHQWQBHD-BETUJISGSA-N 349.814 3.761 0 50 EHAA Cc1cnnn1-c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 16651004 KSPVOIZOAZAUMQ-ZDUSSCGKSA-N 340.814 3.720 0 50 EHAA Fc1cccc(F)c1CN1CCN(C/C=C/c2ccccc2)CC1 19608827 MCTVJOYUCRFBEB-VMPITWQZSA-N 328.406 3.796 0 50 EHAA Cc1cc(F)ccc1NC(=O)[C@H]1CCCN1C(=O)c1cccc(F)c1 20402207 QLSHXARASJZRQA-QGZVFWFLSA-N 344.361 3.517 0 50 EHAA O=C(CSCc1ccccc1Cl)NCCCc1cccnc1 55182687 ZJERGIHBFYFZDH-UHFFFAOYSA-N 334.872 3.717 0 50 EHAA CC(C)n1cc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)cn1 55401384 SPPUJGYDMBFAGR-IBGZPJMESA-N 331.435 3.784 0 50 EHAA Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)cc1C 72446783 HRDIQUJIOLRTNS-QGZVFWFLSA-N 338.451 3.631 0 50 EHAA Cc1cccnc1CN1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 91444878 HEGUCLCLXKTXIW-UHFFFAOYSA-N 341.499 3.537 0 50 EHAA CCn1nc(C)c(NC(=O)NC2(c3cc(F)ccc3F)CC2)c1C 96133651 SFIYLRWQTXZOAC-UHFFFAOYSA-N 334.370 3.609 0 50 EHAA FC(F)(F)c1cccc(-n2nc(C3CC3)nc2C[C@@H]2CCOC2)c1 96150248 QPPSTZDUZQGTPQ-NSHDSACASA-N 337.345 3.743 0 50 EHAA O=C(CCC1CCNCC1)N1CCC[C@H]1Cc1ccccc1Cl 155116520 OMRNPGJQEKSGBY-KRWDZBQOSA-N 334.891 3.653 0 50 EHAA CC(C)(C)c1ncsc1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 176758660 SUNPIALOZNVQPX-UHFFFAOYSA-N 343.452 3.968 0 50 EHAA COc1cc(F)c(C(=O)N2CC3(CC3)c3ccccc32)cc1OC 177532798 GLGSBKPETYOYOB-UHFFFAOYSA-N 327.355 3.535 0 50 EHAA Cc1cc(NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)n(C)n1 178577811 DGSBWLUKHNJWPW-HNNXBMFYSA-N 340.427 3.687 0 50 EHAA COCc1cccc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)c1 186248389 UOAUSTPLXGQPHP-SFHVURJKSA-N 345.826 3.700 0 50 EHAA COc1ccc2[nH]c(C(=O)Nc3ccc(-c4nc(C)n[nH]4)cc3)cc2c1 190695709 OFMXBPODNXCDMN-UHFFFAOYSA-N 347.378 3.522 0 50 EHAA O=C(Nc1ccc(Oc2ccncc2)cc1)[C@H]1CCC[C@@H](C(=O)O)C1 191579260 XLVSLNDQPUBZHY-UONOGXRCSA-N 340.379 3.703 0 50 EHAA O=C(N[C@@H]1CCCc2occc21)N1CCO[C@H](c2ccc(F)cc2)C1 194049749 IEULKHCDOCLLLS-AEFFLSMTSA-N 344.386 3.579 0 50 EHAA CC[C@H](C)c1ccccc1OCC(=O)N1CC[C@H](c2ccccn2)C1 225600280 JPTIJRHZSVJAGI-IRXDYDNUSA-N 338.451 3.990 0 50 EHAA O=C(N[C@H](c1ccc(F)cc1)[C@H]1C[C@@H](O)C1)c1ccc2[nH]ccc2c1 243893749 ATSHDUJJZKSQEI-HHXXYDBFSA-N 338.382 3.549 0 50 EHAA C[C@@H]1[C@@H](N(CCC(=O)O)Cc2ccc3c(c2)OCO3)CCC[C@H]1C 262180372 DRLUQCQIRSZYSQ-YCPHGPKFSA-N 333.428 3.517 0 50 EHAA Fc1ccc2oc(N3CCC[C@H]3c3nc4c([nH]3)CCCC4)nc2c1 275412155 BQXLXPCWZHQYLZ-HNNXBMFYSA-N 326.375 3.910 0 50 EHAA Cc1nc(-c2ncccn2)sc1C(=O)N(C)[C@H](C)C1CCCCC1 283681834 SQDGHLURBQDWOH-CYBMUJFWSA-N 344.484 3.949 0 50 EHAA COc1ccc([C@H](C)NCc2nc3ccccc3n2C)c(C)c1OC 287122888 ZJARCOSSKOYRPL-AWEZNQCLSA-N 339.439 3.750 0 50 EHAA COc1ccc([C@@H](O)C2CCN(c3ncnc4ccccc34)CC2)cc1 292187185 BJFCYUWXYCQZSP-HXUWFJFHSA-N 349.434 3.588 0 50 EHAA O=C(Nc1ccsc1Cl)N[C@@H]1CCO[C@H](c2cccnc2)C1 297894131 RWUKEZKTKXOSAW-YPMHNXCESA-N 337.832 3.838 0 50 EHAA Cc1nccn1CC1(CNC(=O)Nc2ccc(C(C)C)cc2)CC1 299770362 QLUZEJYSMRJXSC-UHFFFAOYSA-N 326.444 3.917 0 50 EHAA Cc1nc2cc(CC(=O)NCCSC3CCCCC3)ccc2[nH]1 299795262 LBNCZPOMJYGSFR-UHFFFAOYSA-N 331.485 3.596 0 50 EHAA CCC(=O)N1CC[C@H](c2nc(-c3ccc(OC(C)(C)C)cc3)no2)C1 328593855 RVVMDWATMYRUHW-AWEZNQCLSA-N 343.427 3.640 0 50 EHAA C[C@H](Cn1ncc2ccccc21)C(=O)NCc1ccc2ccccc2n1 340965350 BBJGQMPZJMUJAC-OAHLLOKOSA-N 344.418 3.537 0 50 EHAA CC[C@H](c1nc(-c2cccc(Cn3nc(C)cc3C)c2)no1)N(C)C 351589529 ZLGNBWIRDDEWQG-QGZVFWFLSA-N 339.443 3.611 0 50 EHAA CNC(=O)COc1ccccc1-c1cccc([C@@H](C)N2CCCC2)c1 534663994 RFTZCRALDSAWIW-MRXNPFEDSA-N 338.451 3.635 0 50 EHAA Cc1cc(CN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)oc1C(=O)O 652512681 MNIWIRAVOHSRDG-BZSNNMDCSA-N 341.407 3.781 0 50 EHAA O=C(c1snc(O)c1Cl)N1CCC[C@@H]1/C=C/c1ccccc1 885215555 IKQJBPDTNYPNMD-IDVQTMNDSA-N 334.828 3.820 0 50 EHAA CCn1cc([C@@H]2OCC[C@H]2CNc2ncccc2C(F)(F)F)cn1 886091641 AOWMIUUZLRVFHU-SMDDNHRTSA-N 340.349 3.507 0 50 EHAA Cc1c(NC(=O)COc2ccc(F)c(F)c2)cnn1C1CCCC1 935670045 AECVMWFQLPJDCL-UHFFFAOYSA-N 335.354 3.602 0 50 EHAA CC(C)(CNC(=O)c1cccc([S@](C)(=N)=O)c1)Cc1ccccc1 1775993412 QDWSSQHHEFMTFH-XMMPIXPASA-N 344.480 3.721 0 50 EHAA Cc1cc(NC(=O)CCc2nc3ccccc3s2)c(O)nc1C 1875243058 NQDROSRGFZXXLL-UHFFFAOYSA-N 327.409 3.585 0 50 EHAA O[C@H]([C@H]1CCCN(c2ccc3c(F)ccc(F)c3n2)C1)C(F)(F)F 2325789486 SUPKTQVIGPALMA-BJOHPYRUSA-N 346.299 3.653 0 50 EHAA CN(Cc1nccs1)[C@@H]1CCN(Cc2coc3ccccc23)C1 2325820649 WSSHUAKMXSNSLR-OAHLLOKOSA-N 327.453 3.596 0 50 EHAA CC1(C)[C@H]2CC=C(CCOC(=O)c3cc4c(nn3)CCCC4)[C@@H]1C2 2325865374 ZZWGAPSVCFUQSG-HOTGVXAUSA-N 326.440 3.895 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3ccc(C(F)(F)F)nc3)C[C@H]2C1 2356167221 KMKWXRUYEWHOEQ-GEEKYZPCSA-N 341.421 3.651 0 50 EHAA Cc1cccc2c(C(=O)N3CCOCC3)cc(-c3ccccc3)nc12 76311 RQMFVLVKVBTNBA-UHFFFAOYSA-N 332.403 3.683 0 50 EHAA O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1ccc(F)cc1)C3 111698 WEFUZWIWDCGKBR-UHFFFAOYSA-N 337.350 3.777 0 50 EHAA COC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCCC2 134080 KIIUUPRXBAGKAM-UHFFFAOYSA-N 329.421 3.974 0 50 EHAA C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC(=O)c1cccc(F)c1 189283 UJDVOZXOPLPEEE-AWEZNQCLSA-N 340.398 3.976 0 50 EHAA COc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1 423632 NXZPGFQRSJZSQQ-UHFFFAOYSA-N 334.375 3.943 0 50 EHAA Cc1cccc(C)c1NS(=O)(=O)c1ccc(Br)s1 469493 MKNXTAUUGCJGMA-UHFFFAOYSA-N 346.271 3.928 0 50 EHAA CC(=O)Nc1ccc(C(=O)OCc2ccc(Br)cc2)cc1 469542 HIFHGKVLTJBZBC-UHFFFAOYSA-N 348.196 3.765 0 50 EHAA CCOc1ccccc1OCC(=O)Nc1cc(Cl)ccc1OC 2549436 UBKYGEDZHFHVNV-UHFFFAOYSA-N 335.787 3.765 0 50 EHAA CC(=O)c1c(C)n(CC(=O)N2CCc3ccccc3C2)c2ccccc12 4384757 VYUKEQWCNYMNDD-UHFFFAOYSA-N 346.430 3.737 0 50 EHAA O=Cc1cn(CC(=O)Nc2ccccc2OC(F)F)c2ccccc12 4841866 FIPSDYVHBQTHBX-UHFFFAOYSA-N 344.317 3.694 0 50 EHAA CCOC(=O)C(CCCCOc1cccc(CC)c1)C(=O)OCC 4845408 ZXKPRBCXFTUOOJ-UHFFFAOYSA-N 336.428 3.541 0 50 EHAA CCCCCOc1ccc(-c2n[nH]c(=O)cc2Br)cc1 5313881 NEYGWPVDXDMFOI-UHFFFAOYSA-N 337.217 3.768 0 50 EHAA COc1ccccc1-c1ccc(=O)n(Cc2ccccc2Cl)n1 5397218 RUTCOEPJJOBJLV-UHFFFAOYSA-N 326.783 3.621 0 50 EHAA O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 17987817 RIJFNUZXIFWYIK-ROUUACIJSA-N 348.402 3.619 0 50 EHAA C[C@H](C1CC1)n1ncc2[nH]c(-c3cncn3Cc3ccccc3)nc21 19595263 WWLUGJOJDYODGZ-CYBMUJFWSA-N 332.411 3.642 0 50 EHAA COc1ccc(Br)cc1CN(C)CCc1ccccn1 19606927 OKWNQXXBELXFGK-UHFFFAOYSA-N 335.245 3.527 0 50 EHAA CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1 20106053 HVCHCTHDSYAEGH-LLVKDONJSA-N 325.430 3.587 0 50 EHAA Cc1ccc(F)cc1NC(=O)[C@H]1CCCN1C(=O)c1cccc(F)c1 20402191 OPEBDBJQCJHBKF-QGZVFWFLSA-N 344.361 3.517 0 50 EHAA COc1ccc2c(c1)c1c(n2CCCN(C)C)CCCSCC1 71769137 GOJXSDALNVTGOU-UHFFFAOYSA-N 332.513 3.824 0 50 EHAA CC[C@@H](Nc1nc(C2CCCC2)nc2c1cnn2C)c1cccnc1 72430360 RPCCWMRESNXKKT-MRXNPFEDSA-N 336.443 3.979 0 50 EHAA COc1nc(C)c(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)s1 77321337 LAHFQUBSWWSLCD-AWEZNQCLSA-N 334.416 3.967 0 50 EHAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)Nc1cccc2ccccc12 77456543 YETAINLCDBQQTA-GOSISDBHSA-N 339.439 3.705 0 50 EHAA CCn1cc(C(=O)N(C)Cc2ccc(Oc3ccccc3)cc2)cn1 77537845 DFLFBFOHULPBOQ-UHFFFAOYSA-N 335.407 3.968 0 50 EHAA CCN(C)C1(CNC(=O)C[C@H]2CCc3ccccc32)CCCCC1 91914764 LTNKHEQFUMSYLW-GOSISDBHSA-N 328.500 3.877 0 50 EHAA CCCCn1ccnc1[C@H]1CCCN(c2nc(C)ncc2CC)C1 95516417 ZGRFQCKKDJTOKR-KRWDZBQOSA-N 327.476 3.728 0 50 EHAA C[C@H]1CN(C(=O)N[C@@H](C)c2cccc(O)c2)C[C@H](c2ccsc2)O1 151731405 CGGJFDGOPHNFGC-GDZNZVCISA-N 346.452 3.686 0 50 EHAA CC(C)(CCC(=O)NC[C@H]1CC=CCC1)C(=O)NC[C@@H]1CC=CCC1 170653209 SOSPZTASMHMZIS-ZWKOTPCHSA-N 346.515 3.738 0 50 EHAA c1ccc2nc(CN3CCC(OC[C@H]4CCCCO4)CC3)ccc2c1 177586768 FTRIRWCBZOYNLB-HXUWFJFHSA-N 340.467 3.785 0 50 EHAA COC(=O)[C@H](N[C@@H](C)c1cc2ccccc2s1)c1cccnc1 184361107 PSGOLMIKYXLFNE-YVEFUNNKSA-N 326.421 3.861 0 50 EHAA CC[C@@H](CN(CC)C(=O)c1cc(N(C)C)ccn1)c1ccccc1 186435770 NBRLTSSYXXRVEU-INIZCTEOSA-N 325.456 3.804 0 50 EHAA COc1ccc(OCc2nc(CNc3ccncc3F)cs2)cc1 192149395 XEINOTGKLUOWSQ-UHFFFAOYSA-N 345.399 3.877 0 50 EHAA COc1cccc(CC(=O)N[C@@H](CC(C)(C)C)c2cccnc2)c1 220447172 VPRLEZFOKKTXPK-SFHVURJKSA-N 326.440 3.926 0 50 EHAA O=C(O)C1CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC1 238101429 BLEVWZJDMKAHMS-UHFFFAOYSA-N 344.238 3.639 0 50 EHAA c1ccc(CN2C[C@@H]3CC[C@H](C2)CN3Cc2nc3ccccc3[nH]2)cc1 248081776 DFCKMLNYPISZDC-MOPGFXCFSA-N 346.478 3.659 0 50 EHAA CCOc1cccc2[nH]cc(CCNC(=O)N3CCC[C@H](C)C3)c12 252505994 VVFMPDIJVYMVHC-AWEZNQCLSA-N 329.444 3.551 0 50 EHAA C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CCO)cc1 252508118 XDHZWAZRNIHZRS-HNNXBMFYSA-N 335.403 3.781 0 50 EHAA Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@H](C)c2ccncc2)cc1 252518095 ZMXNFIXCOCZXLE-MNEFBYGVSA-N 339.439 3.671 0 50 EHAA Cc1nc(-c2ccc(NC(=O)c3cc(C4CC4)no3)cc2Cl)n[nH]1 253429011 BTDWUNLWZPVXSG-UHFFFAOYSA-N 343.774 3.551 0 50 EHAA Cc1cnccc1OC1CCN(C(=O)c2cc3ccccc3o2)CC1 278396020 QQSSHCFXHRYQJM-UHFFFAOYSA-N 336.391 3.820 0 50 EHAA CCc1ccc([C@H]2CCCN(C(=O)c3ccc4nc[nH]c4n3)C2)cc1 286344840 BHDPJSMFMXBHJJ-INIZCTEOSA-N 334.423 3.540 0 50 EHAA c1ccc(-c2cnc(N[C@@H]3CCO[C@@H](c4cccnc4)C3)cn2)cc1 295865467 YQXKNDRCEFUVHI-IEBWSBKVSA-N 332.407 3.871 0 50 EHAA Cc1nc(C)c(CN2CCC[C@H](N(C)Cc3ccccn3)CC2)s1 328639072 PKFLIENILVBUFR-SFHVURJKSA-N 344.528 3.641 0 50 EHAA Cn1cccc1[C@H]1CCCN1C(=O)c1ccc(Cl)c(N)c1Cl 331892865 XTEQIABUZXDNTI-CYBMUJFWSA-N 338.238 3.891 0 50 EHAA O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H]1[C@@H]1CCCO1 367439644 WAHRPOUEJWIUBB-KGLIPLIRSA-N 331.309 3.628 0 50 EHAA Cc1nc([C@H](C)NC(=O)CCCOCc2ccccc2)c(C)s1 584894423 VUCWHVMVRVKUIB-ZDUSSCGKSA-N 332.469 3.934 0 50 EHAA Cc1cccc(Oc2ccc(C(=O)N(C)CC3(C)COC3)cc2)c1 584902980 YBIUSIVVQNMAGB-UHFFFAOYSA-N 325.408 3.896 0 50 EHAA Cc1cccc(CC2CN(C(=O)c3ccnc(N4CC[C@@H](C)C4)c3)C2)c1 674733271 XBVPFZNPLHNXIP-QGZVFWFLSA-N 349.478 3.551 0 50 EHAA O=C(O)c1sccc1CN1CCC([C@H](O)c2ccc(F)cc2)CC1 833347810 URGJAGSZRIMPKL-MRXNPFEDSA-N 349.427 3.531 0 50 EHAA CCCc1nc(C)c(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)o1 889082870 FJAKVRYAWUVLLM-AULYBMBSSA-N 334.366 3.890 0 50 EHAA O[C@@H](c1cccs1)C1CCN(CCOc2ccc(F)cc2)CC1 1529133551 OTFQLUAAGGTQMB-GOSISDBHSA-N 335.444 3.712 0 50 EHAA Cc1ncsc1CN(Cc1ccccc1)Cc1ccc(C(=O)O)o1 1529159657 XAHKXSSXBJWYAN-UHFFFAOYSA-N 342.420 3.945 0 50 EHAA CCSc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CCC3)cn1 1875295945 BXKWODOYVWZNFI-UHFFFAOYSA-N 341.436 3.721 0 50 EHAA CO[C@H]1C[C@H](O)CN(Cc2csc(-c3ccc(C(C)C)cc3)n2)C1 1875353632 AHVLKBVNPUQYRY-ROUUACIJSA-N 346.496 3.515 0 50 EHAA CCOC[C@H](Cc1ccc(F)cc1F)N[C@@H](C)CCc1ccccn1 1875359838 RDXUGEKOABOUIT-KXBFYZLASA-N 348.437 3.918 0 50 EHAA O=C(c1cc(Cl)ccc1F)N1CC2(COc3ccccc3C2)C1 2100478294 ZIGMONUDFNKRBH-UHFFFAOYSA-N 331.774 3.556 0 50 EHAA C[C@@H](NC(=O)Cc1cnc(C2CC2)[nH]1)c1cc2ccccc2s1 2325816674 UOTOAZJSVDHVDJ-LLVKDONJSA-N 325.437 3.922 0 50 EHAA CC(=O)N1CCc2ccc(NC3CCN(Cc4ccccc4)CC3)cc21 154301 ZWWYCLKNKWNZII-UHFFFAOYSA-N 349.478 3.672 0 50 EHAA Cc1cc(OC[C@@H](O)CN2CCc3ccccc3C2)ccc1C(C)C 350508 NQSMIJDNDFNKMS-FQEVSTJZSA-N 339.479 3.916 0 50 EHAA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl 451726 SOIRDSDKPGQKFY-CYBMUJFWSA-N 343.210 3.527 0 50 EHAA N=c1n(CC(=O)c2cccs2)c2ccccc2n1Cc1ccccc1 19721104 YSRFMKVOPJUBGZ-UHFFFAOYSA-N 347.443 3.915 0 50 EHAA CCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C(C)C)cc2)on1 33270464 ZGTPVZGLQKRVDW-QGZVFWFLSA-N 348.468 3.886 0 50 EHAA CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1 44713520 FXYXJKWVTFZJGZ-UHFFFAOYSA-N 325.355 3.795 0 50 EHAA in-vitro COc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1CC=CCC1 55090393 XXTGZJNQGBCJOR-GOSISDBHSA-N 336.435 3.975 0 50 EHAA CC[C@H](COC)NC(=O)c1cccc(NCc2sccc2C)c1 55153637 MWXFIYXSPIJIBX-OAHLLOKOSA-N 332.469 3.823 0 50 EHAA CCC1=NO[C@@H](Cn2cnc(-c3ccccc3)c2-c2cncn2CC)C1 65403527 KDLVNOKFGNCEJW-QGZVFWFLSA-N 349.438 3.988 0 50 EHAA Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@@H]2c1nc2c(s1)CCCC2 65406801 CYTZMOMQQQCPNG-JTQLQIEISA-N 344.484 3.527 0 50 EHAA COc1ccccc1OC1CN(Cc2ccc(OC(F)F)cc2)C1 72130946 YLLVOZFZJHCEPK-UHFFFAOYSA-N 335.350 3.560 0 50 EHAA Cc1cc(NCCCc2nc3ccc(C)c(C)c3[nH]2)n2nccc2n1 72428702 JSQLFNQDFLYENW-UHFFFAOYSA-N 334.427 3.576 0 50 EHAA Fc1ccccc1-c1cc(N2CC(c3ccccn3)C2)n2nccc2n1 72429051 NMZRPPJXADIDBE-UHFFFAOYSA-N 345.381 3.534 0 50 EHAA Cn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)C1 82106797 WFUUDZNVYAIJIP-LJQANCHMSA-N 333.435 3.522 0 50 EHAA CCCOC[C@@H]1CCN(C(=O)c2oc3cc(OC)ccc3c2C)C1 92078200 HLOHGADMLIUAQC-CQSZACIVSA-N 331.412 3.639 0 50 EHAA C[C@@H]1CN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CCCO1 95518307 JBSUHYUADCZADS-OAHLLOKOSA-N 347.418 3.548 0 50 EHAA c1cc(CN2CCC(c3c[nH]c4ncccc34)CC2)c2c(c1)OCCO2 118837509 YVXSOVKIAYYXIC-UHFFFAOYSA-N 349.434 3.714 0 50 EHAA Cc1cs/c(=N\c2ccccc2)n1CCCOC1CCOCC1 172690103 NAQALWXVLDSUBQ-HNENSFHCSA-N 332.469 3.676 0 50 EHAA Cc1nc(-c2ccccc2)c(C(=O)N(C)CCc2ccccn2)s1 192686544 LPDAFXYTIPYPNT-UHFFFAOYSA-N 337.448 3.828 0 50 EHAA CCc1c(C(=O)N2CC[C@H](c3sccc3C)[C@@H](O)C2)csc1C 212515276 PWHLAXWLLBFWDC-HOCLYGCPSA-N 349.521 3.979 0 50 EHAA COC[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1ccccn1 220092045 FIOYYRAKAOQDDX-INIZCTEOSA-N 338.363 3.584 0 50 EHAA CN(Cc1cnc2ccccc2n1)C(=O)CCCC(=O)c1ccccc1 223338107 FBMAZSKAOFBBAJ-UHFFFAOYSA-N 347.418 3.641 0 50 EHAA O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccc2ncoc2c1 225448958 SNYRTCZKJQXVRP-UHFFFAOYSA-N 332.319 3.662 0 50 EHAA CCOc1cc(C)c(C)cc1S(=O)(=O)N(C)C1CCCCC1 230515923 IAGGEPYJHAHZDN-UHFFFAOYSA-N 325.474 3.655 0 50 EHAA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 239412390 SQIVJPSKVPIGBD-JSBGKLSNSA-N 334.202 3.551 0 50 EHAA CCc1ccc(-c2noc([C@@H](C)NC(=O)[C@@H]3[C@H]4CCC[C@H]43)n2)cc1 241132772 JLNOSMGHCCRSCP-FWYOQMDTSA-N 325.412 3.522 0 50 EHAA COC[C@H](Cc1ccccc1)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 242048037 VSEYQCUUTWRCLS-DBVUQKKJSA-N 347.405 3.642 0 50 EHAA Nc1c(Cl)ccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c1Cl 242389420 ZXDFZPHHRDLTNM-DETPVDSQSA-N 333.218 3.644 0 50 EHAA O=C(CCN1CCC[C@H]1c1ccco1)NCc1cccc(Cl)c1 244708302 KRHIXKZLVMDJSB-INIZCTEOSA-N 332.831 3.776 0 50 EHAA C[C@H](NC(=O)N[C@H](C)[C@H]1CCCO1)c1ccc(-c2cccnc2)cc1 245338831 OTYAPHMHWLVDOD-QMTMVMCOSA-N 339.439 3.676 0 50 EHAA O=C(Nc1ccccn1)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 252430618 ASFHTUNFFKMFSE-UZPTXHBLSA-N 325.239 3.876 0 50 EHAA c1ccc([C@H]2[C@]34[C@@H]5[C@H]6[C@H]7[C@@H]8[C@H]9[C@H]%10[C@H]%11[C@@H]([C@@H]%12[C@@H]%13[C@H]%11[C@@H]9[C@@H]7[C@H]%13[C@H]6[C@H]%123)[C@]24[C@@H]%10[C@@H]85)cc1 257357226 MTDFEKUIDSXJRW-QGHWWENFSA-N 348.489 3.998 0 50 EHAA CCC[C@H](NC(=O)c1cccc(-c2ccccc2OCC)c1)C(=O)O 262916204 IDAUAPJDQRLIFE-KRWDZBQOSA-N 341.407 3.735 0 50 EHAA O=C(CSC[C@H]1CCCCO1)Nc1cccc(N2CCCC2)c1 263877880 HQQRGGMSJUYOGI-QGZVFWFLSA-N 334.485 3.528 0 50 EHAA C[C@H](C(=O)Nc1nc2ccccc2n1CCc1ccccn1)C1CC1 267059173 BHZFIBAGEGDXEE-AWEZNQCLSA-N 334.423 3.659 0 50 EHAA CC[C@@]1(c2ccccc2)N=C(O)N(c2ccc(C(F)(F)F)nc2)C1=O 328595084 KIWLFASKXXSJMR-INIZCTEOSA-N 349.312 3.667 0 50 EHAA O=C(c1cc(-n2cccn2)ccn1)N1CC[C@H]1c1ccc(Cl)cc1 365568838 USEWLMFCHOVYIB-KRWDZBQOSA-N 338.798 3.508 0 50 EHAA Cc1ccnc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)cc2)n1 373377577 OENKTCRKXZHRQH-ZWKOTPCHSA-N 346.390 3.715 0 50 EHAA O=C(NCCCn1ccc2ccccc21)C1(N2CCCC2)CCCC1 670471487 AFLRJKJTNKUBEJ-UHFFFAOYSA-N 339.483 3.556 0 50 EHAA Cc1ccn2cc(C(=O)N3CCCC[C@H]3CCc3ccccn3)nc2c1 825240777 BUKMTHGFUCTCSD-SFHVURJKSA-N 348.450 3.665 0 50 EHAA O[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)Cc2ccccc21 825569619 ZLSDWTGNHWWWBI-GOSISDBHSA-N 327.811 3.665 0 50 EHAA C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C[C@H]1CC(=O)O 910862688 HFFWJAMPSSDHSC-BYNBJNPRSA-N 337.419 3.513 0 50 EHAA CN(Cc1cc(C(C)(C)C)n[nH]1)C[C@@H]1CCN(c2ccccc2)C1 952980640 DYOQEFCCVQNSJM-INIZCTEOSA-N 326.488 3.666 0 50 EHAA Cc1nc(-c2ccc(NC(=O)c3cnoc3-c3ccccc3)cc2)n[nH]1 952989725 OSBNQLHLYPTIGP-UHFFFAOYSA-N 345.362 3.687 0 50 EHAA O=C(N[C@@H]1CCc2c(Cl)cccc21)c1cnc2c(c1)C(=O)CCC2 1857531477 ZOCJTWNPFXFPFW-QGZVFWFLSA-N 340.810 3.671 0 50 EHAA Cc1ccc2ncnc(N3CCC[C@H](c4nc5ccccc5o4)C3)c2n1 1857701474 LIHPFNLWHYXXAJ-AWEZNQCLSA-N 345.406 3.858 0 50 EHAA CCCC[C@@H]1CN(C(=O)c2ccc3c(c2)CCCO3)C[C@H](C2CC2)O1 1875244876 YGRFPIKAZWZEFS-UYAOXDASSA-N 343.467 3.821 0 50 EHAA C[C@]1(CC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CCCO1 2325776312 SOMBTHNIUCAGGK-LJQANCHMSA-N 344.386 3.588 0 50 EHAA O=C(Nc1cnc2c(F)c(F)ccc2c1Cl)c1cncs1 2325855745 NJTIQZNIROQLCT-UHFFFAOYSA-N 325.727 3.875 0 50 EHAA Cc1cccc(C(=O)N[C@@H](CC(=O)O)c2ccc(OC(C)C)cc2)c1 106244 ZLFFJJNPPDYXLE-SFHVURJKSA-N 341.407 3.728 0 50 EHAA O=C(Nc1ncnc2sc3c(c12)CCCC3)c1ccc(F)cc1 112039 KVCSKJJBRUYBGB-UHFFFAOYSA-N 327.384 3.962 0 50 EHAA COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccn1 127341 MPFDGLWJHBCRRI-UHFFFAOYSA-N 347.374 3.595 0 50 EHAA CCOc1ccc(N2C(=O)C[C@@H](Cc3cc(C)cc(C)c3)C2=O)cc1 261246 KCBSMZWAMPHSID-QGZVFWFLSA-N 337.419 3.824 0 50 EHAA CCOC(=O)c1sc(NC(=O)c2ccc(C)c(Cl)c2)nc1C 308375 ODMVOTFHQKGWCB-UHFFFAOYSA-N 338.816 3.842 0 50 EHAA CC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 308636 UGAXCHNVTWXJLH-GTPINHCMSA-N 342.483 3.761 0 50 EHAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)OC2=O 352807 ROINEWICWDQAAE-CVEARBPZSA-N 341.329 3.766 0 50 EHAA CCOC(=O)c1cc(Br)cc(Cc2ccccc2)c1O 408154 HODGVAOZUGSPSC-UHFFFAOYSA-N 335.197 3.922 0 50 EHAA COc1cccc(NC(=O)Nc2nnc(-c3ccccc3)s2)c1 451717 PZBXQLAZFQOKLN-UHFFFAOYSA-N 326.381 3.858 0 50 EHAA CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(Cl)cc1 460887 DKRGKTSRKXMGQQ-AWEZNQCLSA-N 336.844 3.795 0 50 EHAA Cc1ccc(Cn2ncc3c(NCCc4ccccc4)ncnc32)cc1 520887 WCAJRTPPYYNUPO-UHFFFAOYSA-N 343.434 3.838 0 50 EHAA O=C(COc1ccc(Cl)cc1Br)Nc1ccncc1 577379 MVUUPQNVAFKJMC-UHFFFAOYSA-N 341.592 3.515 0 50 EHAA O=C(Cc1ccc(F)cc1)Nc1ccc(Br)cc1F 860314 IKJWWOVEUUMJIG-UHFFFAOYSA-N 326.140 3.909 0 50 EHAA C[C@]12OC(=O)C3(CCCC3)[C@@]1(c1ccccc1)OC(=O)C21CCCC1 1117152 GSMZNQUVFNRMIV-NQIIRXRSSA-N 340.419 3.875 0 50 EHAA O=C(Nc1ccccc1)OCCOCCOC(=O)Nc1ccccc1 2023324 RYIKJWYPCWVWIB-UHFFFAOYSA-N 344.367 3.500 0 50 EHAA CCOC(=O)c1ncoc1-c1ccc(NC(=O)OC(C)(C)C)cc1 2391931 LCRZRPSRAUNHSV-UHFFFAOYSA-N 332.356 3.865 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2Cl)CC(=O)N1 4488929 YLNKBOTVMMFBMT-NSHDSACASA-N 342.222 3.823 0 50 EHAA CCOc1ncccc1-c1nc(-c2ccc(Br)o2)no1 4770913 CPCKQDFWQOFHKC-UHFFFAOYSA-N 336.145 3.553 0 50 EHAA O[C@@H](CNCc1ccccc1)Cn1c2c(c3ccccc31)CCCC2 6534157 DRGXYEACPYEKIE-SFHVURJKSA-N 334.463 3.671 0 50 EHAA O=C1NCCC[C@H]1C(=O)c1cc(-c2ccccc2)nc2ccccc12 6658266 DUBNSSUDEYAZCQ-INIZCTEOSA-N 330.387 3.611 0 50 EHAA Cc1ccnc(N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)c1 11820852 CVKDNNHTFJLCJH-FQEVSTJZSA-N 336.483 3.524 0 50 EHAA O=C(c1ccc2ccccc2c1)[C@H]1CCCN(C(=O)c2ccncc2)C1 12303080 UMNYUEBFNVIDMX-FQEVSTJZSA-N 344.414 3.970 0 50 EHAA Cc1ccccc1[C@@H](CC(=O)N1CCC(CO)CC1)c1ccccc1 12746585 BKLQJUJOMVLKTO-NRFANRHFSA-N 337.463 3.748 0 50 EHAA Fc1ccc(N[C@H]2CCCN(C3CSCCSC3)C2)cc1 14950085 QGODVYMFFLLCAZ-HNNXBMFYSA-N 326.506 3.551 0 50 EHAA O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 16052855 OWFLADWRSCINST-UHFFFAOYSA-N 340.386 3.578 0 50 EHAA in-vivo CC(C)N(Cc1nc(-c2cccs2)no1)C(=O)Cc1cccs1 16625354 HPLZHVOOSUPNBJ-UHFFFAOYSA-N 347.465 3.839 0 50 EHAA CC[C@@H](CO)NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 19110656 NCTDAXCNORURLC-HNNXBMFYSA-N 338.382 3.542 0 50 EHAA CC1CCN(C(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 20112856 RTULWKRJDWDQGC-UHFFFAOYSA-N 340.398 3.950 0 50 EHAA CCOc1ccc(CN(Cc2cnc(NC(C)C)nc2)C2CC2)cc1 55327187 OIGXDYOIJYGRMK-UHFFFAOYSA-N 340.471 3.860 0 50 EHAA Cc1nc(-c2ccccc2)c(C(=O)N(C)[C@@H](C)c2ccon2)s1 65456200 FQPLFKOUDQQFRO-NSHDSACASA-N 327.409 3.940 0 50 EHAA CC(C)c1ccc(N2CCC[C@](CO)(Cc3ccc(F)cc3)C2)nn1 67786633 UZWUIVXGLPBRTR-FQEVSTJZSA-N 343.446 3.561 0 50 EHAA Cc1cccnc1C[C@H](C)NC(=O)c1c(-c2ccccc2)noc1C 67878937 VDYKJTDIDAVCJR-AWEZNQCLSA-N 335.407 3.714 0 50 EHAA CCCCc1nc(CN2CC[C@H](Cc3ccc(C(=O)O)cc3)C2)c[nH]1 72418776 GCDODGIUVYOGMV-MRXNPFEDSA-N 341.455 3.515 0 50 EHAA CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 73652638 AWSLVKRHDKOLLJ-INIZCTEOSA-N 348.443 3.655 0 50 EHAA in-vitro Cc1nn(-c2ccccc2)cc1CN1CCCC[C@@H]1CCn1cccn1 77303153 NUJHLHXPXACRET-HXUWFJFHSA-N 349.482 3.822 0 50 EHAA CN(Cc1cccc2cnccc12)C(=O)[C@@H]1CCc2ccccc2C1 77487019 NNTSITMTVNYDOP-GOSISDBHSA-N 330.431 3.998 0 50 EHAA CCC[C@@H]1CN(Cc2[nH]c3ccc(Cl)cc3c2C)C[C@H]1NC(C)=O 82099824 ABARLMPOWYIPNV-AUUYWEPGSA-N 347.890 3.866 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2)C1 91593198 QKLBNTAASZUVIH-ZDUSSCGKSA-N 332.835 3.968 0 50 EHAA COc1ccc([C@@H](C)N(C)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 91678595 PAMRQGHQBCBBGT-CYBMUJFWSA-N 340.398 3.869 0 50 EHAA CCC(CC)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 91746402 HFPTYYNFJOROPZ-UHFFFAOYSA-N 343.515 3.517 0 50 EHAA CCCc1cc(C(=O)N[C@@H](c2cccnc2)c2ccc(C)c(C)c2)[nH]n1 91819530 BLVDDNDJRHOFBF-HXUWFJFHSA-N 348.450 3.893 0 50 EHAA CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)c1ccccc1Cl 133629260 JPPWGHUYQVYTIQ-GOSISDBHSA-N 341.842 3.896 0 50 EHAA O=S(=O)(c1ccc(CSc2ccccc2O)cc1)C(F)F 177280549 IWCLWSLJMXWXIF-UHFFFAOYSA-N 330.377 3.681 0 50 EHAA O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1CCN(C2CCCCC2)C1 177683877 IHOQRKKTULLTCP-MRXNPFEDSA-N 339.439 3.935 0 50 EHAA O=C(Nc1cc(F)ccc1OC(F)F)NC1Cc2ccccc2C1 184223429 CFZYUOBTPLVVNK-UHFFFAOYSA-N 336.313 3.716 0 50 EHAA CCSCc1cc(C(=O)N2CCOc3c(Cl)cccc32)no1 186408776 DXFVLGVBUAPVJZ-UHFFFAOYSA-N 338.816 3.620 0 50 EHAA Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)co1 188887005 UWWGPHQJGBINJD-LSDHHAIUSA-N 339.313 3.555 0 50 EHAA Cc1ccccc1-n1cc(CN(C)CCc2scnc2C)cn1 215685713 LTHMKBFFFMVLGA-UHFFFAOYSA-N 326.469 3.620 0 50 EHAA CCNc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)s1 218989274 XHDAGFLFSNDWKZ-CYBMUJFWSA-N 348.472 3.972 0 50 EHAA CC[C@@H](NC(=O)c1ccc(-c2ccccc2OC)cc1)c1ccnn1C 219352078 RNKCVVMYGDCKBL-GOSISDBHSA-N 349.434 3.977 0 50 EHAA CN(Cc1cccc(F)c1F)[C@H](CNC(=O)OC(C)(C)C)C1CC1 225408205 HOEUYZJCWZAZDE-OAHLLOKOSA-N 340.414 3.700 0 50 EHAA Fc1ccc([C@@H](Sc2ccc3nnnn3n2)c2ccccc2)cc1 225779775 CIMSKWKQTRITOE-KRWDZBQOSA-N 337.383 3.540 0 50 EHAA CCSc1ccc([C@@H](C)NC(=O)[C@H](CN)c2ccccc2)cc1 236937655 DZUNIDTVRMZRCV-RDTXWAMCSA-N 328.481 3.718 0 50 EHAA O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 241644690 PSSNDJWGRCQQAP-CYJAXWMASA-N 327.424 3.558 0 50 EHAA CC(C)c1nc(CCNC(=O)C[C@H](C)N2CCCCCC2)cs1 244874183 WWDVKCSZJGGENV-HNNXBMFYSA-N 337.533 3.580 0 50 EHAA COCCN(Cc1ccccc1Cl)Cc1ncc(C)c(O)c1C 253536192 BGXVDOAGHNKIEO-UHFFFAOYSA-N 334.847 3.706 0 50 EHAA O=C(Nc1ccc2c(Cl)ccc(Cl)c2n1)c1ccnc(O)c1 253630318 OJSWSRZFTXXXGM-UHFFFAOYSA-N 334.162 3.895 0 50 EHAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1coc(-c2cccs2)n1 274861104 SWROEWVPBGXINX-XBFCOCLRSA-N 332.425 3.621 0 50 EHAA CC(C)c1nnc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)s1 283534757 UAAIEHYDBPPDNQ-LLVKDONJSA-N 343.374 3.565 0 50 EHAA O=C(O)C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 299745709 SAPQPCOXVMAPDF-JTQLQIEISA-N 330.211 3.710 0 50 EHAA Cc1cnccc1CN(C)C(=O)Nc1ccnn1C[C@@H]1CC=CCC1 299770561 SBINAUIZLGPJEE-MRXNPFEDSA-N 339.443 3.607 0 50 EHAA CCCc1nc(CNC(=O)Cc2ccc(C(F)(F)F)cc2)cs1 299777279 DLLQBUNLGGYNKW-UHFFFAOYSA-N 342.386 3.973 0 50 EHAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(Cc1ccc(C)o1)CC2 426530632 WMBCSVUOWWINNX-IMFGXOCKSA-N 342.439 3.574 0 50 EHAA CC(C)(C)N1CC[C@H](NC(=O)NCc2cc3ccccc3s2)C1 660472351 DWTRBTRYOULWMX-AWEZNQCLSA-N 331.485 3.573 0 50 EHAA Cc1ccc(F)cc1CC(=O)Nc1cccc(N2C(=O)CC[C@H]2C)c1 827848546 WXVQVPXRNAENJU-CQSZACIVSA-N 340.398 3.831 0 50 EHAA Cc1ccc(S(=O)(=O)[C@@H](C)c2nnc(-c3cccs3)o2)c(C)c1 864091443 VPHHUSVWRNDXPL-LBPRGKRZSA-N 348.449 3.950 0 50 EHAA C[C@@H]1N(Cc2ccc(-c3ccccn3)cc2)CCC[C@@]12CCCNC2=O 1875245591 HEZZWUOZRZOIHM-JTSKRJEESA-N 349.478 3.629 0 50 EHAA Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H](C)n1cc(Cl)cn1 1875253709 CYSGRZXDKLBISJ-SMDDNHRTSA-N 335.835 3.829 0 50 EHAA CC(C)CN(Cc1noc2c1COCC2)[C@@H]1CCCc2cccnc21 1875271451 VNGKCHMPOIBUKA-GOSISDBHSA-N 341.455 3.678 0 50 EHAA O=C(N[C@@H]1C[C@H]2CC[C@H]21)c1cc(-c2ccncc2)nc2ccccc12 1875319311 WXNXUEQNUFTAAR-STXHMFSFSA-N 329.403 3.825 0 50 EHAA Cc1nn(Cc2ccccc2)c(C)c1CN1Cc2ccccc2[C@@H](N)C1 2325777615 OXUIDXKSELCJCH-QFIPXVFZSA-N 346.478 3.564 0 50 EHAA COc1ccc(CCC(=O)O[C@@H]2C[C@H](c3cccnc3)C2(C)C)cn1 2325783844 GTJMOSOTUNQNSN-IAGOWNOFSA-N 340.423 3.543 0 50 EHAA Cc1nc(-c2cccc(NC(=O)NCC34CC(C3)[C@H](C)O4)c2)cs1 2325806144 ZCSICMOFIHAXRD-JCDGYTILSA-N 343.452 3.808 0 50 EHAA O=C1CC[C@@H](CC2CCCCC2)N1Cc1cc(-c2ccccn2)n[nH]1 2325854121 OPCRCCXKHRKDPD-KRWDZBQOSA-N 338.455 3.933 0 50 EHAA CN(C)C(=O)c1ccc(C(=O)OCCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 2325865977 WNMSTYLENSPBBV-ROUUACIJSA-N 341.451 3.928 0 50 EHAA CCSc1nnc2c(n1)O[C@@H](c1ccccn1)Nc1ccccc1-2 176098 SMZRIFRERHHNAN-HNNXBMFYSA-N 337.408 3.549 0 50 EHAA CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccccc2)NC(=O)N1 194802 RGYCCVAXVWDEHR-KRWDZBQOSA-N 328.412 3.581 0 50 EHAA Cc1c(OCC(=O)C(C)(C)C)ccc2c3c(c(=O)oc12)CCCC3 373993 WZCCCLBSSAXGLO-UHFFFAOYSA-N 328.408 3.974 0 50 EHAA CCn1c(SCC(=O)C(C)(C)C)nc2sc(C)c(C)c2c1=O 530082 VJSLBYVTZYALRX-UHFFFAOYSA-N 338.498 3.802 0 50 EHAA O=C(NC1CCCCC1)c1cc2nc(C3CC3)cc(C(F)F)n2n1 2777847 CSEVPNVNKAJYLK-UHFFFAOYSA-N 334.370 3.607 0 50 EHAA COc1cc(C)c(S(=O)(=O)Nc2cccc(C)n2)cc1C(C)C 4970554 ZKNFFPPNZIBUFJ-UHFFFAOYSA-N 334.441 3.631 0 50 EHAA Cc1cc(C)cc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 5041426 HKBVIDSRDZXVCS-UHFFFAOYSA-N 342.508 3.877 0 50 EHAA CC(C)C[C@H](NC(=O)c1ccccc1Cl)c1n[nH]c(=S)n1C 5817344 MBOVBROKXKCXHL-LBPRGKRZSA-N 338.864 3.648 0 50 EHAA CCOc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1 6714969 QDDINCKDSNJENS-UHFFFAOYSA-N 343.402 3.579 0 50 EHAA Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 6715363 ODHPKOUTUYRAFV-UHFFFAOYSA-N 327.403 3.797 0 50 EHAA Cc1ccc(C(=O)NCc2ccco2)cc1NC(=O)c1ccccc1 12866128 QRQNICUQUNBGQN-UHFFFAOYSA-N 334.375 3.770 0 50 EHAA CCOC(=O)c1c(NC(=O)c2c(CC)noc2C)sc(C)c1C 13327117 HTLOIHQISZJSIY-UHFFFAOYSA-N 336.413 3.653 0 50 EHAA Cc1ccccc1CC[C@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 14972154 QRPGYTQHQMRWOL-GOSISDBHSA-N 339.483 3.533 0 50 EHAA Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2F)c(C)c1 20398117 AJDJJSINWXUHIM-SFHVURJKSA-N 340.398 3.686 0 50 EHAA Fc1ccc(/C=C/CN2CCC[C@@H](OCc3cccnc3)C2)cc1 72124073 KDMDHUCFWVLSQL-XQASTXFUSA-N 326.415 3.915 0 50 EHAA O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2ccsc2)C1 77553579 OUQIXQXYGLJFOA-SFHVURJKSA-N 341.476 3.731 0 50 EHAA Cc1cc(C)c2c(N[C@@H]3CCCc4sc(C)nc43)ncnc2n1 95392927 QPZPUELYCZGNPH-GFCCVEGCSA-N 325.441 3.896 0 50 EHAA Clc1ccccc1COc1cccc(-c2nc3c([nH]2)CCNC3)c1 97492380 SCOQHTHPMRQENO-UHFFFAOYSA-N 339.826 3.955 0 50 EHAA O=C(/C=C/c1ccc(Cl)nc1)NCc1nc2ccccc2s1 128910162 NXYCXWAHNKULDR-SOFGYWHQSA-N 329.812 3.674 0 50 EHAA O=C(Nc1ccc(Cl)cc1F)c1ccccc1N1CCOCC1 148169475 UYRCSACDNQIXLO-UHFFFAOYSA-N 334.778 3.568 0 50 EHAA O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1C[C@@H]1c1ccc(F)cc1F 171912946 OBGBBNLGFPJXBM-BFYDXBDKSA-N 329.346 3.708 0 50 EHAA Cc1cccc([C@H]2CCCCN2C(=O)c2cccc(C(N)=O)c2)c1C 173513723 KFDOVYLGMGYMOD-LJQANCHMSA-N 336.435 3.770 0 50 EHAA C[C@@H](CO)N(C)C(=O)CCN1c2ccccc2Sc2ccccc21 179311175 ZOVOCAZDGCJLRU-AWEZNQCLSA-N 342.464 3.519 0 50 EHAA CCCCn1cc(C(=O)N2CC[C@H](C)c3cccc(O)c32)c(C)n1 186392160 PEVXGSKWBJAYJZ-ZDUSSCGKSA-N 327.428 3.851 0 50 EHAA Cc1cc(C)c2c(c1)CCN(C(=O)Nc1cc3c(cc1C)OCO3)C2 189324608 OVHOXIKSBKMJGR-UHFFFAOYSA-N 338.407 3.931 0 50 EHAA Cc1nccc(-c2cccc(NC(=O)[C@@H]3CCCc4cccnc43)c2)n1 193993321 RHCWWODWVZQRMD-GOSISDBHSA-N 344.418 3.906 0 50 EHAA C[C@@H]1CCCCN1C1CN(C(=O)c2[nH]c3ccccc3c2Cl)C1 215019786 ZGGVCUVGVIDVKO-GFCCVEGCSA-N 331.847 3.520 0 50 EHAA COc1ccc(F)c(F)c1CN1CCCC[C@H]1CCn1ccnc1 216214896 FJZLMLSRFYFARS-AWEZNQCLSA-N 335.398 3.615 0 50 EHAA CCCc1nnsc1C(=O)N1CCCC[C@@H]1CCc1ccccn1 223252793 UGQOVNTXANDQCW-OAHLLOKOSA-N 344.484 3.513 0 50 EHAA Fc1cccc2c(NCc3cccc(CN4CCCC4)c3)ncnc12 252489208 JKOASVBSMNMKOO-UHFFFAOYSA-N 336.414 3.977 0 50 EHAA O=C(NCc1ccccc1COCc1ccccc1)N1CCCCO1 252502229 UNWAQMCVYOWGJP-UHFFFAOYSA-N 340.423 3.640 0 50 EHAA COC(=O)c1ccc(N(C)C(=O)OC(C)(C)C)c(Br)c1 261506792 AYLBXTNTCQVTDN-UHFFFAOYSA-N 344.205 3.607 0 50 EHAA C[C@@H](N)CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 261717433 DVWKEAPLSSEVQU-SNVBAGLBSA-N 339.317 3.569 0 50 EHAA CC(C)n1ccnc1CN(Cc1ccsc1)[C@@H]1CC12CCNCC2 261968303 TXFXBPXYJIHQAW-QGZVFWFLSA-N 344.528 3.670 0 50 EHAA C[C@H]1CCN(C(=O)Cc2ccc(C(=O)O)cc2)[C@H](c2ccco2)C1 263334704 NCFVGDHRGNCBRK-BBRMVZONSA-N 327.380 3.520 0 50 EHAA O=C(c1cc2sccc2[nH]1)N1CC[C@H](n2ncc3ccccc32)C1 328588013 LVWNXGDDZGJSEN-ZDUSSCGKSA-N 336.420 3.666 0 50 EHAA CCn1nccc1[C@@H]1OCC[C@H]1CNC1CC(c2cccc(C)c2)C1 328638124 OXPRKIFWPUOIEL-LANMQJKKSA-N 339.483 3.825 0 50 EHAA CCN(C(=O)c1cc(C2CCCCC2)[nH]n1)[C@H]1CCOC(C)(C)C1 330312718 OLITVUQLIJULSU-HNNXBMFYSA-N 333.476 3.877 0 50 EHAA CON1CCC(c2nc(O)c3c(-c4ccccc4)csc3n2)CC1 864091491 XUUSYKUFKDFQFC-UHFFFAOYSA-N 341.436 3.805 0 50 EHAA O=C1CCC[C@@H](c2cccc(NCc3cc(O)cc(Cl)c3)c2)N1 896069805 FLBDNKRLTCLGKJ-KRWDZBQOSA-N 330.815 3.999 0 50 EHAA O=C1CC[C@@H](N2CC=C(c3ccc(F)cc3)CC2)CCN1CC1CC1 952970045 CBYZSXWBLZXERL-HXUWFJFHSA-N 342.458 3.706 0 50 EHAA CC(C)n1cccc1C(=O)Nc1ccccc1OC[C@H]1CCCO1 952986193 FRMITUIMNADYLW-OAHLLOKOSA-N 328.412 3.879 0 50 EHAA Cc1c(C(F)(F)F)n[nH]c1C(=O)Nc1cnn(C2CCCC2)c1C 1262620423 COZISSIWOQSRME-UHFFFAOYSA-N 341.337 3.609 0 50 EHAA c1ccc(-c2csc(CNc3nc(C4CC4)nc4c3CCC4)n2)nc1 1348236596 OCOGRKMKESBZIX-UHFFFAOYSA-N 349.463 3.973 0 50 EHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3CC[C@@H]2COCCO2)ccc1F 1857691948 HSTBJKZHSCMGGT-FCGDIQPGSA-N 333.447 3.650 0 50 EHAA COc1ccc(OC2(C(=O)Nc3cccnc3)CCCCC2)cc1 1857798259 YFEISNXAMFQTHP-UHFFFAOYSA-N 326.396 3.811 0 50 EHAA O=C(OC[C@H]1CC[C@H](C2CC2)O1)c1cc(OC2CCCC2)ccn1 1875311283 SJQYYARASSBLPZ-SJLPKXTDSA-N 331.412 3.517 0 50 EHAA CC(C)OC(=O)Nc1ccc(OC[C@@H]2C[N@@]2CC2CC2)c(Cl)c1 1875385161 NNOMPEVJRQUSCR-VBKZILBWSA-N 338.835 3.770 0 50 EHAA C[C@H]1COc2c(Nc3ncnc4sc5c(c34)CCCC5)cnn2C1 2325870856 RYHFVXMTLMGJRW-SNVBAGLBSA-N 341.440 3.539 0 50 EHAA Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(F)cc3)C2=O)c(C)c1 101461 BVGPLDKNPHBSHO-UHFFFAOYSA-N 344.773 3.878 0 50 EHAA COC(=O)Oc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1 112176 OKTPIDFXXNXPLG-UHFFFAOYSA-N 342.303 3.739 0 50 EHAA Cc1ccc(-c2c(C)sc3ncn([C@H](C)C(=O)O)c(=O)c23)cc1C 148663 SYZWKYNOJNGYEK-LLVKDONJSA-N 342.420 3.696 0 50 EHAA O=C(NCc1ccccn1)c1cc(-c2ccncc2)nc2ccccc12 217705 FGJRDRSLFNAHJR-UHFFFAOYSA-N 340.386 3.622 0 50 EHAA O=C(Nc1cccc(NC(=O)c2cccs2)n1)c1cccs1 363029 DDINIWYAOYACRS-UHFFFAOYSA-N 329.406 3.709 0 50 EHAA COc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 469879 JQFFCIUXEXBNPC-UHFFFAOYSA-N 344.842 3.619 0 50 EHAA Nc1cc(S(=O)(=O)O)ccc1Oc1ccc(Cl)cc1Cl 2165018 YFJRUQCCODZCCC-UHFFFAOYSA-N 334.180 3.615 0 50 EHAA CC[C@H](C)NCCOCCOc1ccc(C)cc1Br 2824776 XZORRJGRPUBUJO-ZDUSSCGKSA-N 330.266 3.541 0 50 EHAA COc1cc(SC)ccc1C(=O)NCCOc1ccc(C)c(C)c1 2874504 UEQOJMFNISKIRW-UHFFFAOYSA-N 345.464 3.843 0 50 EHAA O=C(Oc1cccc(OC(=O)N2CCCCC2)c1)N1CCCCC1 4279587 KEOSPDWMOHMXEW-UHFFFAOYSA-N 332.400 3.656 0 50 EHAA CCOc1ccccc1NC(=O)Nc1cc(OC)c(OC)c(OC)c1 6729720 PVGQUHJVTHHBLL-UHFFFAOYSA-N 346.383 3.755 0 50 EHAA Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)OC3)c1 10110157 BPPWXUMBZRIWEP-UHFFFAOYSA-N 345.464 3.956 0 50 EHAA Cc1ccccc1CC[C@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 11818554 NPHHRXSATHNIMW-QGZVFWFLSA-N 325.456 3.522 0 50 EHAA C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC(=O)Nc2ccccc21 12380342 NYAHQGJTPPWADE-AWEZNQCLSA-N 346.386 3.592 0 50 EHAA O=C(N[C@H]1CCCN(c2nc3ccccc3s2)C1)C1=CCCCC1 12718642 CLMOUGRYHCBFJX-HNNXBMFYSA-N 341.480 3.882 0 50 EHAA O=C(CC[C@H]1CCCN(Cc2ccncc2)C1)Nc1ccccc1F 15065045 YPIBQFVRASVRFI-MRXNPFEDSA-N 341.430 3.852 0 50 EHAA O=C(Cc1noc(-c2ccccn2)n1)Nc1cc(Cl)cc(Cl)c1 16579663 JICBMHLVZOZFDJ-UHFFFAOYSA-N 349.177 3.620 0 50 EHAA OC1CCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 19145660 UFTVQWUSMBVYCU-UHFFFAOYSA-N 333.435 3.700 0 50 EHAA Cc1cccnc1C[C@H](C)N(C)C(=O)c1ccc([C@H]2CCCN2)s1 20149324 NMCIFNLODLKHFE-LSDHHAIUSA-N 343.496 3.579 0 50 EHAA C/C(=C\c1ccco1)CN[C@H]1CCCN(C2Cc3ccccc3C2)C1 20914883 TUAVBQPCYPKAGO-KZFLWGQDSA-N 336.479 3.904 0 50 EHAA O=C([C@@H]1CC=CCC1)N1CCC[C@H]2CN(Cc3cccs3)CC[C@@H]21 43641755 UAVGTLKTEFEOPG-AOIWGVFYSA-N 344.524 3.917 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)Cc2ccc(-c3ccn[nH]3)s2)c1 55403210 RWYYTDBXSANMHA-AWEZNQCLSA-N 326.469 3.905 0 50 EHAA CCOc1ccccc1C(=O)N1Cc2cnc(-c3ccccc3)nc2C1 67695129 OFRCJPUTKLXYJE-UHFFFAOYSA-N 345.402 3.698 0 50 EHAA O=C(O)[C@@]1(CCCc2ccccc2)CCCN(Cc2ccncc2)C1 71419412 JAYZPFZBNBLMRV-NRFANRHFSA-N 338.451 3.771 0 50 EHAA Cc1nn(C)c2c1[C@@H](c1cccc(OC3CCCC3)c1)CC(=O)N2 72119183 YPGCNTIMSFTEKC-MRXNPFEDSA-N 325.412 3.524 0 50 EHAA O=C1CC[C@@]2(CCCO2)CCN1Cc1cc(F)ccc1C(F)(F)F 72121725 VRAKFRLVHQZMEV-INIZCTEOSA-N 345.336 3.906 0 50 EHAA CC(C)(O)CCc1cccc(C(=O)N(Cc2ccccn2)C2CC2)c1 72409687 OLQGGVGOGMJBMV-UHFFFAOYSA-N 338.451 3.590 0 50 EHAA Cc1ccc(N2CC[C@H](CNc3cc(C)nc4cc(C)nn34)C2)cc1 72431163 GJDFSWNIZWGLKS-QGZVFWFLSA-N 335.455 3.593 0 50 EHAA Cc1nc(CN2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)cs1 77299093 YEOZMJKVJGRQRY-LJQANCHMSA-N 349.544 3.702 0 50 EHAA CN(C(=O)c1cc(-c2ccc(O)cc2)n[nH]1)[C@H]1CCCc2ccccc21 77436957 BUJHXNJTYCNOIJ-FQEVSTJZSA-N 347.418 3.932 0 50 EHAA CN(Cc1cccc2cnccc12)C(=O)[C@@H](O)c1cccc(Cl)c1 77439720 SXZGFYYUZJNMFY-SFHVURJKSA-N 340.810 3.580 0 50 EHAA CN(C)[C@H]1CCCN(C(=O)Nc2ccc(-c3ccco3)cc2)CC1 97495083 QMQQRHZMCOFKAC-KRWDZBQOSA-N 327.428 3.895 0 50 EHAA O=C1CCCc2nc(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)sc21 116013316 CRXGZVZCJJENKO-DTWKUNHWSA-N 348.374 3.683 0 50 EHAA CCOC(=O)c1nc(COC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cs1 129773041 ZVMZCPOPYZGTHN-STQMWFEESA-N 337.441 3.601 0 50 EHAA CCOc1ccc2cc(C(=O)N3CCCC[C@@H]3C(=O)CC)[nH]c2c1 135979047 JQKJAYDBWIVTLQ-QGZVFWFLSA-N 328.412 3.540 0 50 EHAA CCOc1cc(Cl)ccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 154957754 FHORUCBNJNFLCN-ZDUSSCGKSA-N 344.798 3.803 0 50 EHAA c1ccc(-c2cc(CNc3ccc(Cn4ccnc4)cc3)n[nH]2)cc1 158235895 MSOMUVPVQPPXOM-UHFFFAOYSA-N 329.407 3.934 0 50 EHAA COc1ccc(Cl)c2c1N(C(=O)c1ncc(F)cc1F)CCC2 192268847 LRVHCTHHMWMEKM-UHFFFAOYSA-N 338.741 3.615 0 50 EHAA COc1cc(CNc2cnn(C3CCCC3)c2C)cc2c1OCCO2 195455504 YOCZAQGUGUWPSB-UHFFFAOYSA-N 343.427 3.699 0 50 EHAA Cc1c(N2CCCC2)ccc2c1NC(=O)C[C@H]2c1cc2cc[nH]c2cn1 198158503 MAQRUEKEOOIESW-MRXNPFEDSA-N 346.434 3.946 0 50 EHAA COc1ccc(CN2CCC[C@@H]2c2nccs2)c(OC)c1OC 215753392 IOYSPNMEAXFTHN-CYBMUJFWSA-N 334.441 3.506 0 50 EHAA CCCn1ccnc1CNC(=O)c1cc(C(F)(F)F)ccc1C 220435852 BSFZZATXMDFQAZ-UHFFFAOYSA-N 325.334 3.550 0 50 EHAA Cc1noc(C)c1CCC(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 230135042 ITTXAVSUMOTEFA-RCDCFZSISA-N 342.439 3.601 0 50 EHAA O=C(Nc1scnc1-c1ccccc1)[C@@H]1COc2ccccc2C1 241371304 MMHXNVZVRRSPSC-HNNXBMFYSA-N 336.416 4.000 0 50 EHAA c1ccc(Sc2ccc(CNCc3cccc4c3OCO4)o2)nc1 242140849 WPTVLWGHUPWSET-UHFFFAOYSA-N 340.404 3.844 0 50 EHAA C[C@H](N[C@H](C)[C@H](C)n1cccn1)c1nnc(-c2cccc(Cl)c2)o1 252475397 ZRYLIHCXGKRKBK-AGIUHOORSA-N 345.834 3.887 0 50 EHAA Cc1oc2c(c1C(=O)NCc1cc3cc(F)ccc3[nH]1)C(=O)CCC2 252486880 HPVUQHIRRSDSNF-UHFFFAOYSA-N 340.354 3.657 0 50 EHAA C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H]1CCc1ccccc1 252679910 SWOJKJVUWHYUIQ-GGPKGHCWSA-N 328.500 3.873 0 50 EHAA Cc1noc(-c2ccccc2C(=O)N[C@@H]2C[C@H]2C2CCCCC2)n1 279533575 NHBGWIKCWMIIOT-DLBZAZTESA-N 325.412 3.744 0 50 EHAA O=C1CCCCc2cc(C(=O)N3CCCC[C@@H]3c3cc[nH]n3)ccc21 291047307 ZOJOSPJTSURWRY-GOSISDBHSA-N 337.423 3.686 0 50 EHAA CCC1=NO[C@H](CNC(=O)c2cccc(-c3nc(C)c(C)s3)c2)C1 299757653 LTJXPGFLEYYBIK-INIZCTEOSA-N 343.452 3.712 0 50 EHAA Cc1ccc2c(CCNC(=O)c3cccc(-n4ccnc4)c3)c[nH]c2c1 344470936 AYZLSDBXBZBQPF-UHFFFAOYSA-N 344.418 3.635 0 50 EHAA Cc1nc(NCc2ncnn2-c2ccccc2)c2c(C)csc2n1 359841069 DXWVZUKDMASJCW-UHFFFAOYSA-N 336.424 3.501 0 50 EHAA CCn1c(NC(=O)Cc2c(Cl)cccc2Cl)nc2cccnc21 477390892 FIRVHNNSKUCQQE-UHFFFAOYSA-N 349.221 3.939 0 50 EHAA Cn1ccnc1[C@H]1N(C(=O)c2cc(F)cc3ccoc23)CC1(C)C 821105870 SQSLLCCIUGADSQ-OAHLLOKOSA-N 327.359 3.529 0 50 EHAA COc1cccc2c1OCC(CN(C)[C@H](C)Cc1ncccc1C)=C2 824801372 PRGNMWXZHNNAFF-MRXNPFEDSA-N 338.451 3.737 0 50 EHAA CC(=O)N1CCC[C@H]1c1nc(C)nn1-c1ccc(Cl)cc1Cl 825520488 XWAJKWAXEBSOKT-AWEZNQCLSA-N 339.226 3.566 0 50 EHAA CCC1(CC)CN(C(=O)[C@@H](O)c2cccc(OC)c2)c2ccccc21 857476225 VSERPFZVMHIKRW-IBGZPJMESA-N 339.435 3.833 0 50 EHAA CC(C)c1nc([C@@H]2CCCN2Cc2nccc3c2CCCC3)no1 891878692 WURFLXSELZAIJK-KRWDZBQOSA-N 326.444 3.804 0 50 EHAA Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2ccc(OCC(=O)O)cc2)C1 902519463 BPIXHVZKNZTOED-SJLPKXTDSA-N 339.435 3.836 0 50 EHAA O=C(c1cc(C2CC2)oc1C1CC1)N1CCC[C@H](c2cc[nH]n2)C1 930780714 WTGPDVPABCRKJN-AWEZNQCLSA-N 325.412 3.777 0 50 EHAA Cc1cc2nc(O)[nH]c2c(NC(=O)c2ccc(C)n2C(F)F)c1C 952869857 NMXWAOIPFBREOH-UHFFFAOYSA-N 334.326 3.643 0 50 EHAA Cc1ccc(-c2ccc(N3CCCC3)nn2)c(-n2nc(C)cc2C)c1 1506399696 PWNXALYYWHUMMN-UHFFFAOYSA-N 333.439 3.855 0 50 EHAA CSc1ccccc1C(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1529153822 VUDNTESUQIEHAM-GEEKYZPCSA-N 332.513 3.599 0 50 EHAA O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@]2(CCC[C@H]2O)C1 1704297443 RZYMXMIDHFAENX-NVXWUHKLSA-N 342.266 3.690 0 50 EHAA O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC[C@H](C2(O)CC2)C1 1772804539 BPTFSQXVQXGSQH-FQEVSTJZSA-N 335.447 3.660 0 50 EHAA Cc1cnccc1[C@@H](C)C(=O)N1CCC[C@H]1CC(=O)c1ccccc1 1875307138 URYLKESSVQVFCY-AEFFLSMTSA-N 336.435 3.758 0 50 EHAA Cc1cc(F)sc1C(=O)NC[C@H]1C[C@@]12CCOc1ccccc12 1875308300 ZFQYLSOPEDNHEZ-XIKOKIGWSA-N 331.412 3.666 0 50 EHAA CC(C)[C@@H]1CCC[C@@H]1NC(=O)c1nc(C(F)(F)F)n2c1CCCC2 1875329677 CODIQCVZJIXADL-RYUDHWBXSA-N 343.393 3.793 0 50 EHAA C[C@H](Oc1cnc2ccccc2c1)C(=O)OCCCc1cccnc1 2325739287 FDMGUFLNZDSBOR-HNNXBMFYSA-N 336.391 3.573 0 50 EHAA N[C@H](CC1CCCCC1)C(=O)Nc1cnc(-c2cccc(F)c2)nc1 2325853541 SYJZAPKVPVPJNL-QGZVFWFLSA-N 342.418 3.519 0 50 EHAA Cn1cc(CCNc2ccnc3c2CCC[C@@H]3O)c2ccc(F)cc21 2325857043 MZXTVEBFLMTKDZ-IBGZPJMESA-N 339.414 3.737 0 50 EHAA C[C@@H](CNc1ncnc2c(-c3ccccc3)nsc12)c1ncc[nH]1 2325860773 TZFXSSDRNHREPW-NSHDSACASA-N 336.424 3.692 0 50 EHAA COc1c(N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3ccccc3)C2)ccnc1C 2356167941 JMVXVEUWYBRDCP-YRISNDGFSA-N 338.451 3.523 0 50 EHAA COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(F)cc3)[C@@H]1CC2 193196 NZVASBWFMHOING-XLIONFOSSA-N 338.382 3.704 0 50 EHAA CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)N[C@H](C)c1ccccc1 202466 PYZNNZMHRALXDR-GDBMZVCRSA-N 329.469 3.842 0 50 EHAA O=C(Nc1ccccc1C(=O)NC1CCCCCC1)c1ccco1 351455 BDYUSILBCDSHEM-UHFFFAOYSA-N 326.396 3.985 0 50 EHAA COc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2)cc1OC 433179 HPHFKWDQJCAEOP-UXBLZVDNSA-N 331.799 3.687 0 50 EHAA CN(C)C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 468345 NUEHPSMDVOFYDR-UHFFFAOYSA-N 337.206 3.948 0 50 EHAA Cc1ccc/c(=N/S(=O)(=O)c2ccc(C3CCCCC3)cc2)[nH]1 470278 ASDUIJPFESTTKK-UHFFFAOYSA-N 330.453 3.660 0 50 EHAA O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCOCC1 556111 APHXPCVPEFWMDJ-UHFFFAOYSA-N 326.179 3.726 0 50 EHAA C[C@H]1CCc2nc(NC(=O)Nc3ccc4c(c3)OCO4)sc2C1 611151 NFPLJFAVVSCNTN-VIFPVBQESA-N 331.397 3.641 0 50 EHAA aggregator O=C(c1ccc(F)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 2585613 DSGDPASOJJFYRF-UHFFFAOYSA-N 334.561 3.938 0 50 EHAA Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NC(C)(C)C 6701897 PAHXJMZMARUOTQ-UHFFFAOYSA-N 340.423 3.541 0 50 EHAA CCc1cc(C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)no1 8592860 WJBYNRWLVUZROF-UHFFFAOYSA-N 338.411 3.659 0 50 EHAA Cc1cc(C)nc(Nc2nc(COc3cccc4ccccc34)n[nH]2)n1 9329491 WBQCCPNJZHQJPQ-UHFFFAOYSA-N 346.394 3.687 0 50 EHAA O=C(c1csc2nc(-c3ccccc3Cl)cn12)N1CCCC1 11936131 VNIQOWITVUBKSC-UHFFFAOYSA-N 331.828 3.952 0 50 EHAA c1cc(C2CCCC2)sc1CN1CCC[C@H](N2CCOCC2)C1 19225603 QLQUJIKZMHWSTQ-KRWDZBQOSA-N 334.529 3.702 0 50 EHAA O=C(Nc1ccccc1F)N1CCN(Cc2cccc(Cl)c2)CC1 20508103 IGCKQHKUYXKYHU-UHFFFAOYSA-N 347.821 3.829 0 50 EHAA Cc1ccc(N[C@@](C)(C(=O)NCc2cc(C)n[nH]2)c2ccccc2)cc1 55357665 SVLZYOVEFYUALQ-OAQYLSRUSA-N 348.450 3.670 0 50 EHAA CN(C)CCN(Cc1ccsc1)C(=O)c1ccc2ccccc2n1 55404499 DLKQNYDWFUYPNF-UHFFFAOYSA-N 339.464 3.500 0 50 EHAA CC1=NO[C@H](C(=O)Nc2ccccc2OCCCc2ccccc2)C1 55415017 OVOBOOSIFKAGOW-IBGZPJMESA-N 338.407 3.802 0 50 EHAA Cc1cccnc1-n1nc(C2CC2)nc1[C@H](C)n1cnc2ccccc21 65376205 SQCRJUUBYNJUFL-AWEZNQCLSA-N 344.422 3.807 0 50 EHAA CC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1Cl)c1cc(C)ccn1 65385384 WRCURLWZCGQGMR-MRXNPFEDSA-N 345.830 3.883 0 50 EHAA O=C1CCCN1C[C@@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)C1 65431388 SZTBOURTYKETGN-LJQANCHMSA-N 349.478 3.583 0 50 EHAA Fc1ccc([C@@H]2c3nc[nH]c3CCN2Cc2ccco2)c(Cl)c1 67965628 ZGRCWNRKSHYECQ-QGZVFWFLSA-N 331.778 3.943 0 50 EHAA 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Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H]1CCCOc2ccccc21 155298224 KZYCZGLMQIRGJY-LRDDRELGSA-N 327.428 3.550 0 50 EHAA O=C(CN1C(=O)CCCc2sccc21)N[C@H]1C[C@@H]1C1CCCCC1 169995515 QURJVNKIQCUIRC-CABCVRRESA-N 346.496 3.502 0 50 EHAA COC(=O)c1cc(Cl)cc(NCc2nnc(-c3ccccc3)o2)c1 170664929 SPVMJCOZHGBOAD-UHFFFAOYSA-N 343.770 3.789 0 50 EHAA CCc1cc(NC(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)n(C)n1 183705695 ZVZKGKOBYGTDIT-HNNXBMFYSA-N 326.444 3.621 0 50 EHAA FC(F)(F)c1cc(N[C@@H]2CCCc3sccc32)n2ncnc2n1 183964778 RMSQLZLTZYIMTH-SECBINFHSA-N 339.346 3.694 0 50 EHAA Cc1ccccc1-c1csc(NC(=O)C2CCN(C3CC3)CC2)n1 195350283 NHLNXLUFUNRXIT-UHFFFAOYSA-N 341.480 3.931 0 50 EHAA CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)Nc1cccc(C)c1C)[C@@H]2C(=O)O 222243082 RHVMIVDKAZJMAT-DTTOXWODSA-N 325.408 3.711 0 50 EHAA CC(C)(C)CC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 223398102 UOQUSFFBPARILF-KJXMEXGPSA-N 326.440 3.599 0 50 EHAA CC(C)[C@H](NC(=O)CC1(C(=O)O)CCCCCC1)c1ccccn1 225404365 GQSVSCGUJAFNMS-KRWDZBQOSA-N 332.444 3.710 0 50 EHAA Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H]2CCC(F)(F)C2)n1 225460244 KUAHMOVWABFDFN-AWEZNQCLSA-N 333.382 3.541 0 50 EHAA Cc1cccc(NC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)n1 225697302 WHHYCAIVWRJRQM-UHFFFAOYSA-N 348.284 3.711 0 50 EHAA Cc1csc(Nc2ccc(NC(=O)CCC3CCNCC3)cc2)n1 237646637 HFDAQDJRWNJTPH-UHFFFAOYSA-N 344.484 3.913 0 50 EHAA CCN(CCSc1ccccc1)Cc1noc([C@H]2CCCO2)n1 244866555 VYGMAEGQDSVRTD-OAHLLOKOSA-N 333.457 3.535 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N[C@H](c1ccccc1)[C@H]1C[C@H](O)C1 244899792 ZQFCUAPLQUGRGU-BZUAXINKSA-N 344.480 3.817 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C 257345932 NFVCQZNBRFPYOP-STALIWBHSA-N 334.500 3.566 0 50 EHAA O=C(O)c1cc2cc(NC(=O)c3ccnn3C3CCCC3)ccc2o1 262730961 DBFJRKBRIBDZKN-UHFFFAOYSA-N 339.351 3.695 0 50 EHAA Cc1ccc(Nc2nc(CN3C[C@@H](C)C[C@@H](C(=O)O)C3)cs2)cc1 263110625 BSDSXXDVMLSKHH-UONOGXRCSA-N 345.468 3.738 0 50 EHAA Cc1ccc2c(c1)CN(Cc1c(C)nc3sccn13)C[C@@H](C)O2 299766063 BIIJLRIZUKSXSN-CYBMUJFWSA-N 327.453 3.796 0 50 EHAA CCc1nc([C@H]2CCCCN2C(=O)c2nccc3ccccc23)no1 370955855 KVMPIGMXVYUENV-OAHLLOKOSA-N 336.395 3.548 0 50 EHAA Cc1cccc2oc(CCNC(=O)C(C)(C)c3cccs3)nc12 408513011 MMWOBINOKNTQCS-UHFFFAOYSA-N 328.437 3.834 0 50 EHAA Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(C)CCCO 408520943 CJVPERPQCXMJOI-UHFFFAOYSA-N 348.446 3.594 0 50 EHAA CC1(C)C[C@@H]1CNC(=O)N(Cc1ccc(O)cc1)Cc1cccnc1 534577669 MXMJPBKCMUHPSN-QGZVFWFLSA-N 339.439 3.545 0 50 EHAA CNC(=O)CCCNC(=O)c1cccc(-c2c(C)cccc2Cl)c1 584892647 UMLASYPTKKGZEX-UHFFFAOYSA-N 344.842 3.571 0 50 EHAA Cc1cc(Cl)c(-c2cccc(C(=O)N3CC[C@@H](O)C3)c2)cc1F 584901209 SRNZBMJKKNSYQD-CQSZACIVSA-N 333.790 3.661 0 50 EHAA CC(C)(C)n1ncnc1-c1ccc(CN2CCc3ccccc3C2)o1 670458605 BUMFTGBNZXPSTP-UHFFFAOYSA-N 336.439 3.851 0 50 EHAA Cc1cccc2c1CC[C@H]2NC(=O)NCc1nc(C(C)(C)C)co1 892837221 SIGXAPYIAOLDFU-OAHLLOKOSA-N 327.428 3.767 0 50 EHAA CCc1onc(C)c1CS(=O)(=O)c1nc(-c2ccccc2)cs1 899466607 NEOZOLMRVBLEKZ-UHFFFAOYSA-N 348.449 3.643 0 50 EHAA O=C(O)c1cccc2c1CCN2C(=O)[C@@H]1CCSc2ccccc21 907984855 XPSXODYTNYBKPQ-CQSZACIVSA-N 339.416 3.554 0 50 EHAA O=C(O)c1c(NC[C@@H]2CCCOC2)noc1-c1ccc(Cl)cc1 1704304381 QUYGGQKLTMKTTD-JTQLQIEISA-N 336.775 3.532 0 50 EHAA CO[C@@H]1CCC[C@]12CCCN(Cc1cc(O)c3cccc(F)c3n1)C2 1704358590 OQZJJVJMJNTMGT-UYAOXDASSA-N 344.430 3.861 0 50 EHAA CN(C)C(=O)c1cccnc1N1CCC(c2cc3ccccc3[nH]2)CC1 1875257109 GOXWNNBLRIQOSN-UHFFFAOYSA-N 348.450 3.649 0 50 EHAA CSc1ccccc1NC(=O)[C@H](C)OC(=O)[C@]1(C)CCCS1 1875262369 LQDIHCJZGWLAHO-ZBEGNZNMSA-N 339.482 3.564 0 50 EHAA C=CC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CC[C@H](O)C1 1875382476 CMJNQDVBEAZNRL-FZMZJTMJSA-N 328.239 3.669 0 50 EHAA O=C1CCc2c(NS(=O)(=O)c3sccc3C3CC3)cccc21 2325772300 UKUBHSNWKWEGCS-UHFFFAOYSA-N 333.434 3.555 0 50 EHAA CC(=O)Oc1cccc(C(=O)Nc2ccc(Br)cc2C)c1 52551 JXOKPGLJAVDFNO-UHFFFAOYSA-N 348.196 3.935 0 50 EHAA COC(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 133630 HANPRJLZVVNLTJ-UHFFFAOYSA-N 341.407 3.788 0 50 EHAA COC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc(Oc2ccccc2)c1 227980 DUKQYZVRYCTETQ-KRWDZBQOSA-N 337.375 3.529 0 50 EHAA O=S(=O)(Nc1ccccc1Br)c1ccc(Cl)cc1 293293 NOWLHJXAPYXABP-UHFFFAOYSA-N 346.633 3.903 0 50 EHAA COc1cccc(CNCc2ccc(Br)cc2)c1OC 293497 ZSUAEARDUIGVOI-UHFFFAOYSA-N 336.229 3.756 0 50 EHAA COc1cc(C(=O)Nc2cc(F)ccc2F)ccc1OC(F)F 374213 SAAKJVLRKHRPPH-UHFFFAOYSA-N 329.249 3.827 0 50 EHAA CCOC(=O)c1ccc(CC(=O)c2oc3cc(O)ccc3c2C)o1 407263 QLROMLCJNZEAIL-UHFFFAOYSA-N 328.320 3.642 0 50 EHAA biogenic Cc1ccc(N2C[C@H](C(=O)Oc3ccccc3Cl)CC2=O)cc1 613832 KNXFHINLGFKNDM-CYBMUJFWSA-N 329.783 3.607 0 50 EHAA COc1ccc(C2OCC3(CO2)CSc2ccccc2C3=O)cc1 1400256 PRXPUQIFDWCPHD-UHFFFAOYSA-N 342.416 3.716 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)NCCCc1ccccc1 2851526 QJIFPPQPIRVPOO-UHFFFAOYSA-N 348.493 3.762 0 50 EHAA O=c1c2c3c(sc2ncn1CCCOc1ccccc1)CCCC3 2889559 YDNCVXINPAJYPX-UHFFFAOYSA-N 340.448 3.806 0 50 EHAA CCOC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 4916903 FGRVNUSKENNNGM-ZDUSSCGKSA-N 332.227 3.701 0 50 EHAA Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1c(F)cccc1Cl 6701398 REKDYQXXWZCUKS-UHFFFAOYSA-N 344.773 3.768 0 50 EHAA Cc1cc(OC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)cc(C)c1Cl 9441502 DRPZDBYGBLRKOR-XHSDSOJGSA-N 325.880 3.959 0 50 EHAA CC(C)c1nc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3)C2)cs1 12058297 IFFPORYURIADGG-LJQANCHMSA-N 347.528 3.605 0 50 EHAA O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1cccnc1 12137550 SMMHMOYUVDGGME-UHFFFAOYSA-N 334.375 3.792 0 50 EHAA Cc1cc(C)nc(-n2nc(C)c3c2C[C@@H](c2cccs2)CC3=O)n1 13611914 XUPKXWAXZIXSLA-CYBMUJFWSA-N 338.436 3.562 0 50 EHAA COc1ccccc1-c1nc(CC(=O)Nc2cccc(Cl)c2)no1 16578710 OHKAWUGDPCYLGC-UHFFFAOYSA-N 343.770 3.580 0 50 EHAA NC(=O)[C@H]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 23281841 HIBJOKIZBDTURP-HNNXBMFYSA-N 344.842 3.830 0 50 EHAA Cc1cnn(C2CCCC2)c1NC(=O)Cn1c(C)nc2ccccc21 48428388 SRVXDZGFSOREPY-UHFFFAOYSA-N 337.427 3.603 0 50 EHAA O=C(Nc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1 55060305 VNLLFUMHKHKSGH-RMKNXTFCSA-N 339.414 3.689 0 50 EHAA CC[C@H](C1=CCCN(Cc2cc(F)ccc2Cl)C1)N(C)C(C)=O 65470126 IIPLBIPRFNQQFR-GOSISDBHSA-N 338.854 3.868 0 50 EHAA c1ccc(Cc2c[nH]nc2C2CCN(Cc3ccncc3)CC2)cc1 67724213 DZLOTZYSSWSJCR-UHFFFAOYSA-N 332.451 3.775 0 50 EHAA Cc1cccc(C)c1Oc1ncccc1CNc1cc(C(N)=O)ccn1 67833732 UPVUCUDKLIVSHI-UHFFFAOYSA-N 348.406 3.597 0 50 EHAA Oc1cccc(-c2cn(Cc3scnc3-c3ccccc3)nn2)c1 67974595 DSNBEHRUUYPTTK-UHFFFAOYSA-N 334.404 3.823 0 50 EHAA Cc1ccsc1-c1nc(CN(C)Cc2nncn2C(C)C)c(C)o1 71415832 WNSMCNXWTQXNHI-UHFFFAOYSA-N 345.472 3.824 0 50 EHAA CCCCC(=O)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1 72434172 YSIYMLSAWVCOEE-UHFFFAOYSA-N 336.399 3.535 0 50 EHAA Cc1cc(C)n(-c2ccc(C(=O)N(C)[C@@H](C)c3cncs3)cc2)n1 77342038 QDKMSLKEQWUQOK-AWEZNQCLSA-N 340.452 3.779 0 50 EHAA O=C(Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2cccs2)C1 77505255 IFWQYNKZOVRGNH-KRWDZBQOSA-N 341.476 3.731 0 50 EHAA Oc1nc(-c2ccc(Cl)cn2)nc2ccc(Br)cc12 86963716 MPJYZPNXRBMMDA-UHFFFAOYSA-N 336.576 3.813 0 50 EHAA CCCOC[C@H]1CCN(C(=O)c2oc3cc(OC)ccc3c2C)C1 92078201 HLOHGADMLIUAQC-AWEZNQCLSA-N 331.412 3.639 0 50 EHAA C[C@@H](C(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1)c1ccccc1 95510780 XRJYIHDJIWGZHW-OAHLLOKOSA-N 331.419 3.765 0 50 EHAA COc1cccc(CN(C(=O)c2ccccc2-c2ncc[nH]2)C2CC2)c1 97745089 NZTVJUCNXHXPSM-UHFFFAOYSA-N 347.418 3.890 0 50 EHAA O=C1[C@H]2[C@@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 100394365 JHGHFJZNDJPHAA-UTBUEMAESA-N 331.415 3.611 0 50 EHAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2CC(c3ccc(F)cc3)=NO2)C1 101491985 IRSWCABGMPPQKK-RIFZZMRRSA-N 344.430 3.746 0 50 EHAA CC(C)[C@H](C)CC(=O)N1CCC[C@H](c2nnc(S)n2C(C)C)C1 111134150 HCMODTRYEPGIAX-KGLIPLIRSA-N 338.521 3.536 0 50 EHAA CC(C)CO[C@@H]1CCN(CC(=O)Nc2cccc3ccccc23)C1 119941618 FOPLBQZMRPZGGI-QGZVFWFLSA-N 326.440 3.525 0 50 EHAA O[C@@H](c1ccc(F)cc1)C1CCN(Cc2ccc3cn[nH]c3c2)CC1 123774947 HUTLTWXGHASSRF-FQEVSTJZSA-N 339.414 3.648 0 50 EHAA Cc1csc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)n1 146337578 MCBYUYDHMZMBML-CABCVRRESA-N 331.441 3.741 0 50 EHAA Cc1ncc(C(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)c(C)n1 180140322 WDKCZBYKTBBUQB-UHFFFAOYSA-N 348.450 3.903 0 50 EHAA Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(F)c1F 181189565 KADDGXHLRAPTIY-ZUZCIYMTSA-N 348.397 3.912 0 50 EHAA CC(C)(C)c1ncsc1C(=O)N1CC[C@@]2(C1)OCc1ccccc12 186904392 HMBPCZZCCJMZFE-IBGZPJMESA-N 342.464 3.712 0 50 EHAA O=C(/C=C/c1ccc[nH]1)N[C@@H](c1cccc(Cl)c1)c1ccccn1 188426586 UJWUSJQYMXLMMW-YXBWYFRISA-N 337.810 3.982 0 50 EHAA Fc1ccccc1-c1noc(CN(C[C@@H]2CCCO2)C2CCCC2)n1 189048973 QARCSEKKEYEMJN-HNNXBMFYSA-N 345.418 3.799 0 50 EHAA COc1ccc(C(=O)N[C@H]2CCOc3ccccc32)c(OC(C)C)c1 189943359 VVNZTIAKHFOCOF-KRWDZBQOSA-N 341.407 3.736 0 50 EHAA CC(C)[C@@H](NC(=O)C[S@](=O)c1cccs1)c1ccc(F)cc1 194615855 RWZQIIUCWGJBJK-ZHRRBRCNSA-N 339.457 3.508 0 50 EHAA O[C@H]1CN(c2cc(C3CC3)ncn2)CC[C@@H]1c1ccc2ccccc2c1 212341134 SPXZZVZKEBTYMR-CTNGQTDRSA-N 345.446 3.862 0 50 EHAA CC(C)(C)OC(=O)NCCCNCc1cc(Cl)cc(Cl)c1 222019857 BHQMKURDJARWLI-UHFFFAOYSA-N 333.259 3.998 0 50 EHAA COc1ccc(C(=O)O)nc1-c1ccc([C@H](C)N2CCCC2)cc1 222440792 XKUCXEBTBUROOA-ZDUSSCGKSA-N 326.396 3.612 0 50 EHAA Cc1c[nH]c([C@@H](C)NC(=O)CCc2ccc(-c3cccs3)o2)n1 222505683 UUGGADPTJRTAAH-GFCCVEGCSA-N 329.425 3.850 0 50 EHAA C[C@@H]1CN(C(=O)CCC(C)(C)c2ccccc2)C[C@@]2(CCCOC2)O1 225471056 HRAHSTBMFVVMMP-DYESRHJHSA-N 345.483 3.541 0 50 EHAA CC[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)c1cccs1 252494343 NSMGLVIXVWKOGH-QXSJWSMHSA-N 336.501 3.924 0 50 EHAA CC(C)C(=O)N1CCC(C(=O)NC2CCC3(CCCCC3)CC2)CC1 252500468 SWFDMFFZMLEHBM-UHFFFAOYSA-N 348.531 3.890 0 50 EHAA Cc1nn(C)c(N)c1C(=O)N(Cc1ccccc1Cl)C1CCCC1 253415221 ZUSAOKRBHDUANJ-UHFFFAOYSA-N 346.862 3.549 0 50 EHAA CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cn(C(C)C)cn1)CCC2 253431026 NKEGGBAZZXTIMM-AWEZNQCLSA-N 332.473 3.633 0 50 EHAA C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]12C 257357471 OFWWSHNAQHDEIN-DBXWASLWSA-N 334.500 3.566 0 50 EHAA Cc1nc2ccccc2n1C1CCN(c2nc(C(C)C)no2)CC1 280105995 BIYWHCCPUGAKON-UHFFFAOYSA-N 325.416 3.693 0 50 EHAA CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cc(C2CC2)no1 281629118 CXYNUKCBNQHAQB-KRWDZBQOSA-N 346.402 3.523 0 50 EHAA C1CCc2[nH]c([C@@H]3CCCN3Cc3nc(C4CCCC4)no3)nc2C1 328631929 KYQXASYKGCJMOH-INIZCTEOSA-N 341.459 3.666 0 50 EHAA Cc1cccc2nc(CCC(=O)N3Cc4cccc(Cl)c4C3)[nH]c12 376311284 UJIKUZVTMWCEKG-UHFFFAOYSA-N 339.826 4.000 0 50 EHAA C[C@@H](NC(=O)N(C)CC1CCOCC1)c1ccccc1C(F)(F)F 426598819 FCBZIXDTEYARCJ-GFCCVEGCSA-N 344.377 3.834 0 50 EHAA Cc1cccc2nc(N3CCN([C@@H](C)c4nccs4)CC3)sc12 480111907 PZYBKAAFWQDUPV-ZDUSSCGKSA-N 344.509 3.944 0 50 EHAA CO[C@H](CSc1nc2cc(Cl)cnc2[nH]1)Cc1ccccc1 1307247147 SIDINGCZESYHAS-ZDUSSCGKSA-N 333.844 3.961 0 50 EHAA Cc1cccc(CN(C(=O)C(=O)c2cccn2C)C2CCCCC2)c1 1506419255 YCHIOPKOQYAUKK-UHFFFAOYSA-N 338.451 3.878 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(C(=O)CCCCc3ccccc3)C[C@@H]21 1704302986 USXNDIDMOVSTJY-SVFBPWRDSA-N 329.484 3.799 0 50 EHAA C[C@@]1(O)CCOC2(CCN(Cc3c(F)ccc(Cl)c3F)CC2)C1 1704305061 OTASEJUFWKTTPM-MRXNPFEDSA-N 345.817 3.514 0 50 EHAA Cc1cn(C2CCCCC2)nc1NC(=O)NC[C@]1(C)CCCCO1 1775994606 DGVSRTOBSYVSPD-SFHVURJKSA-N 334.464 3.777 0 50 EHAA Cc1cc(C)c2c(c1)[C@@H](n1cc(C[C@H](N)c3ccccc3)nn1)CCO2 1875279187 AYWNQIPCSISVSU-PMACEKPBSA-N 348.450 3.509 0 50 EHAA Cc1ccc([C@H]2CCC[C@@H]2NCCn2cnc3ccccc3c2=O)cc1 1875305205 MJQDYUOMNNJJMB-QUCCMNQESA-N 347.462 3.631 0 50 EHAA O=C(N[C@@H]1C[C@@H]2CC[C@@H]21)c1cc(-c2ccncc2)nc2ccccc12 1875319308 WXNXUEQNUFTAAR-AUSJPIAWSA-N 329.403 3.825 0 50 EHAA CC(C)c1ccc(-c2csc(N3CCO[C@@H](C(C)(C)O)C3)n2)cc1 1875353830 HIIPXXAZCIEXRQ-QGZVFWFLSA-N 346.496 3.910 0 50 EHAA CCc1cccc2ccc(C(=O)NCC[C@@H]3CC(C)(C)CO3)nc12 1875357505 JTPSPSYDPBCMCK-MRXNPFEDSA-N 326.440 3.732 0 50 EHAA O=C(/C=C/c1cncs1)NCCCOc1ccc2ccccc2c1 2325749132 XKOOLKCBBGDMCG-CMDGGOBGSA-N 338.432 3.895 0 50 EHAA Cc1ccc(-c2c[nH]cc2C(=O)NCc2ccc3c(c2)CNC3)s1 2325856341 LQDBHIZMTRLWBW-UHFFFAOYSA-N 337.448 3.585 0 50 EHAA C[C@H]1CC(=O)NN1Cc1cccc(-c2ccc(Br)cc2)c1 2325874926 BJTRCHSNCTWNPZ-LBPRGKRZSA-N 345.240 3.742 0 50 EHAA COc1ccccc1CNC(=O)COc1cc(C)c(Cl)c(C)c1 318839 IJJGAFLFVKWYFV-UHFFFAOYSA-N 333.815 3.661 0 50 EHAA CC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1 452294 UZAJNHSHOUOKLK-UHFFFAOYSA-N 332.812 3.669 0 50 EHAA O=C(CCCOc1ccc(Cl)cc1)Nc1cccc(C(=O)O)c1 1773600 VLDGUYCBIKJYCT-UHFFFAOYSA-N 333.771 3.836 0 50 EHAA O=C(COc1ccccc1Cl)Nc1cc(Cl)ccc1C(=O)O 2937126 CVQCJPCMPGKEDH-UHFFFAOYSA-N 340.162 3.709 0 50 EHAA O=C(O)C[C@H](c1ccc(C(F)(F)F)cc1)N1Cc2ccccc2C1=O 4014652 GGJXKBHOEZYVDP-OAHLLOKOSA-N 349.308 3.877 0 50 EHAA O=C(CSc1ncnc2c1oc1ccccc12)NC1CCCC1 5254565 NODANKQHFAJWHH-UHFFFAOYSA-N 327.409 3.527 0 50 EHAA CC(=O)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 5495654 SZKKXDBSKQUZBX-FUHWJXTLSA-N 326.783 3.799 0 50 EHAA O=C(c1ccc(Cl)cc1)n1c(NCc2ccccc2)n[nH]c1=S 5999237 OHQOPWVMOVQLSE-UHFFFAOYSA-N 344.827 3.895 0 50 EHAA CCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2OC)cc1 6701719 WTBTYUXGVOZMFM-UHFFFAOYSA-N 342.395 3.695 0 50 EHAA Cc1ccc(NS(=O)(=O)c2ccccc2Br)c(C)c1 7053134 XSYQKWDPGMMLKP-UHFFFAOYSA-N 340.242 3.867 0 50 EHAA in-vitro Cc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 7720215 OHYFCEVXEQJPKG-UHFFFAOYSA-N 341.798 3.971 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](CCc3c(F)cccc3F)C2)no1 12092771 JONNTBKVVFNYGL-CYBMUJFWSA-N 334.366 3.746 0 50 EHAA COc1cc(-c2nc(CN3CCCC[C@@H]3CCO)c(C)o2)ccc1F 12297732 QWRPIYYHCZPIHP-OAHLLOKOSA-N 348.418 3.535 0 50 EHAA Cc1ccc(NC(=O)Nc2nc(C)c3c(n2)CC(C)(C)CC3=O)cc1 12652532 YWLOTUHCNQRIPC-UHFFFAOYSA-N 338.411 3.893 0 50 EHAA O=C(CC1=CCCCC1)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 12712152 MKLXOYPLUGXELJ-GOSISDBHSA-N 348.450 3.923 0 50 EHAA O=C1CN=C(c2cccc(Br)c2)c2cc(Cl)ccc2N1 17058808 UGIDJVPNYZMJAX-UHFFFAOYSA-N 349.615 3.892 0 50 EHAA CCN(Cc1ccncc1)[C@@H]1CCCN(Cc2cc(C)c(C)o2)C1 20451676 SHDYFXXJVZUTTO-LJQANCHMSA-N 327.472 3.778 0 50 EHAA O=C(Nc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1 20523296 MAFJHZOPBVAUEU-UHFFFAOYSA-N 329.831 3.690 0 50 EHAA CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(F)c(F)cc1Cl 55052690 IRDFUQAQYUQJFM-UHFFFAOYSA-N 341.789 3.650 0 50 EHAA CCn1nc(CNCc2nc3ccc(C)c(C)c3[nH]2)c2ccccc21 67850877 KLKLGRLQTMZERK-UHFFFAOYSA-N 333.439 3.839 0 50 EHAA Cc1cc(C)n(C[C@@H](C)NC(=O)CCCc2ccc(Cl)cc2)n1 77386113 FWLHMVVMJQPJJB-CQSZACIVSA-N 333.863 3.681 0 50 EHAA COc1ccc2c(C)c(C(=O)NC[C@H](C)n3nc(C)cc3C)oc2c1 91966324 DXWYSHNQALAYCR-ZDUSSCGKSA-N 341.411 3.554 0 50 EHAA CCNC(=O)c1cc(NC(=O)N2CCCCCCC2)ccc1Cl 97675283 BUIYSZGYQIQFPW-UHFFFAOYSA-N 337.851 3.888 0 50 EHAA CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c(F)c1 114905249 CGAOQYPIBNFDPL-CYBMUJFWSA-N 346.406 3.748 0 50 EHAA Cc1ccc(NC(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)cc1C(N)=O 115766705 YSVFOPVMOQNRGS-GOEBONIOSA-N 337.423 3.504 0 50 EHAA Cc1cc(C[C@@H](C)N[C@@H]2CCCc3ncc(C(F)(F)F)cc32)n[nH]1 133610745 FIIOCXMUQHVWQA-QLJPJBMISA-N 338.377 3.730 0 50 EHAA C[C@@H](CO[C@H]1CCOC1)Nc1nc2cc(C(F)(F)F)ccc2s1 133816096 KWWQLCZBOUKHJR-ONGXEEELSA-N 346.374 3.921 0 50 EHAA Cc1nn(-c2ccccc2)cc1-c1nc(-c2ccc3c(c2)CCO3)no1 154775194 JYJLUYBTGIOWIE-UHFFFAOYSA-N 344.374 3.833 0 50 EHAA CC(=O)Nc1ccc(Cl)c(NCc2nc(-c3cccs3)n[nH]2)c1 158767965 CKOPJTMLTAEQEB-UHFFFAOYSA-N 347.831 3.757 0 50 EHAA CC(C)C[C@H]1CCN(C(=O)NCC2(c3ccccc3)CCOCC2)C1 174024068 UYAMTNBXRQRFIZ-GOSISDBHSA-N 344.499 3.812 0 50 EHAA O=C(Nc1ccc(OCC2CC2)cc1)c1ccncc1Br 178275662 UINMFFIGCAXUNA-UHFFFAOYSA-N 347.212 3.885 0 50 EHAA COc1cccc2c1CC[C@@H]2NC(=O)c1cccnc1C(F)(F)F 188412314 SVEQYJILQHTMOY-ZDUSSCGKSA-N 336.313 3.526 0 50 EHAA O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)[C@H]1CCCOC1 192075266 WAEYWFPLWRAMDF-JTQLQIEISA-N 347.764 3.891 0 50 EHAA C[C@@H](C1CC1)n1cc(NC(=O)NCc2ccc3ncccc3c2)cn1 193881860 QQJJZOIZTURGRX-ZDUSSCGKSA-N 335.411 3.724 0 50 EHAA Cc1ncc(C(=O)Nc2nc(CC(C)(C)C)cs2)c(C2CC2)n1 225588489 ITSHOJUYJYRJPM-UHFFFAOYSA-N 330.457 3.960 0 50 EHAA COc1ccc(NC(=O)CN2CC[C@H]3CCCC[C@H]3C2)cc1Cl 239415191 TZCTZRCNJIEPCK-KGLIPLIRSA-N 336.863 3.799 0 50 EHAA CCOc1cccc(NC(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)c1 253431255 QVIAOMUJNYHHJU-MRXNPFEDSA-N 342.443 3.542 0 50 EHAA COC(=O)[C@H]1CC[C@H](C(=O)N(C)[C@H](C)c2ccccc2Cl)CC1 253432789 OCFICIMGEULYBD-MGPQQGTHSA-N 337.847 3.839 0 50 EHAA c1ccc(-c2nc(Cc3nc(CC4CCCC4)no3)cs2)nc1 293314374 KNHAVQYAUSDZEI-UHFFFAOYSA-N 326.425 3.912 0 50 EHAA O=C(Nc1ccc2c(c1)CCC2)N1CCC(CCn2cccn2)CC1 299770735 QWMJOEUCDYDYDR-UHFFFAOYSA-N 338.455 3.706 0 50 EHAA O=C(c1cccc(-c2ccc(F)cc2F)c1)N1CCCC[C@@H]1CO 299791206 CDSKRVHYXKNQKM-MRXNPFEDSA-N 331.362 3.619 0 50 EHAA CC1(C)CCc2cc(CN3C[C@@H]4CCC[C@H]4[C@@H]3C(=N)O)ccc2O1 329953396 NFQZJRAYQOEHMJ-LZLYRXPVSA-N 328.456 3.926 0 50 EHAA Cn1cccc1[C@@H]1CCCCCN1C(=O)Cc1ccc(Cl)cn1 339881291 ULTGAVJOMZCEMC-KRWDZBQOSA-N 331.847 3.760 0 50 EHAA O=C([C@@H]1CCOc2ccc(Cl)cc21)N1CCCc2occc2C1 345526546 IWCYVISQWZBXCQ-CQSZACIVSA-N 331.799 3.774 0 50 EHAA OC[C@]1(Cc2ccccc2)CCCN1Cc1cc2ccccc2nc1O 365073048 TWTHSCRRVYGIFM-JOCHJYFZSA-N 348.446 3.510 0 50 EHAA CC(C)c1ccc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc1Cl 375511957 QGNXTHGBWQDDHA-ZDUSSCGKSA-N 332.835 3.601 0 50 EHAA CN(C[C@H]1CC12CCN(C(=O)CC(C)(C)C(F)(F)F)CC2)C1CC1 377085664 BXZVQEPEAMCOPG-CYBMUJFWSA-N 346.437 3.688 0 50 EHAA Cc1nn(C(C)C)cc1-c1ccccc1S(=O)(=O)NC(C)(C)C 426538313 FSXLZVNKVYGAGR-UHFFFAOYSA-N 335.473 3.516 0 50 EHAA CCC[C@H](NC(=O)N(C)Cc1cccc(SC)c1)c1nccn1C 534659602 GBTKDHRKEITXOF-INIZCTEOSA-N 346.500 3.825 0 50 EHAA O=C(NCCc1ccccc1Cl)N1CCC[C@H](OC2CCC2)C1 654408561 ARCAMKVTIJKWEG-INIZCTEOSA-N 336.863 3.626 0 50 EHAA COc1ccc(CN2CC[C@H](Nc3ccc4[nH]c(C)cc4c3)C2=O)cc1 663298724 BNGYLXUWXDCGKT-FQEVSTJZSA-N 349.434 3.698 0 50 EHAA CC(=O)N(C1=NN(C(C)=O)[C@H](c2ccccc2)S1)c1ccccc1 669369045 YBSKEKJAJXJHCD-KRWDZBQOSA-N 339.420 3.605 0 50 EHAA O=C(O)C1CCN(Cc2cccc(OCc3ccc(F)cc3)c2)CC1 859806004 JQDHBIVYYRLNHQ-UHFFFAOYSA-N 343.398 3.701 0 50 EHAA Cc1cccc([C@@H](C)NC(=O)NC[C@]23C[C@H]2COC32CCC2)c1C 893053965 BPFGPXALJVNMOH-JTDSTZFVSA-N 328.456 3.623 0 50 EHAA Cc1cc(NC(=O)Cc2c(F)cccc2F)cc2sc(N)nc12 952971574 FEZOMVCGMAVTAA-UHFFFAOYSA-N 333.363 3.646 0 50 EHAA CC1(C)[C@H]2CC=C(CN3CCCN(Cc4cccnc4)CC3)[C@@H]1C2 952984693 MFELHUOOYXSNIQ-PMACEKPBSA-N 325.500 3.582 0 50 EHAA CCN(CCc1nc2cccc(C)c2[nH]1)c1nnc(C(C)C)s1 1529146140 JIRXJNGCKLUJOC-UHFFFAOYSA-N 329.473 3.915 0 50 EHAA Cc1cc(C)n(C2CN(c3cc(C)c4cc5c(cc4n3)CCC5)C2)n1 1704353357 UACDFFOBUIEKIK-UHFFFAOYSA-N 332.451 3.907 0 50 EHAA OC[C@H]1C[C@@H](N[C@H](c2cc(F)c(Br)cc2F)C2CC2)C1 1775987672 QOYCSXKXPGKADZ-FLBPPNCPSA-N 346.215 3.539 0 50 EHAA C[C@@H](Cn1cncn1)n1ccnc1-c1ccc(CC(F)(F)F)cc1 1857682240 HDHVCVINKVNUNJ-LBPRGKRZSA-N 335.333 3.508 0 50 EHAA CC(C)(C)Oc1ccc(C(=O)OCC2([C@H]3CCCO3)CCC2)nc1 1875278149 DEWHUERQVQCELD-MRXNPFEDSA-N 333.428 3.765 0 50 EHAA CN(C(=O)[C@H]1CC[C@H]2C[C@H]2CC1)[C@@H]1CCN(Cc2ccccc2F)C1 1875335200 WHGRKXFDIFTABH-VXIBKDFQSA-N 344.474 3.685 0 50 EHAA CC1=C(C(=O)N2CCC[C@H]([C@H]3CCN(C(=O)CC(C)C)C3)C2)CCC1 1875358475 XNDBXRQJORLVNN-ROUUACIJSA-N 346.515 3.620 0 50 EHAA Oc1ccc(CCc2nnc3n2CC[C@@H](c2ccccc2)CC3)cc1 2100534406 HCCREQABGUFDKW-SFHVURJKSA-N 333.435 3.889 0 50 EHAA Cc1cc(NC(=O)c2noc3c2C[C@@H](C)CC3)ccc1N1CCCC1 2325746891 HLZUDIVAUXAOOG-ZDUSSCGKSA-N 339.439 3.960 0 50 EHAA CN(C(=O)NC[C@@H]1C[C@@H]2CC[C@@H]21)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C 2325824108 PJQMJLYKWXZKLH-WAARBJQMSA-N 342.483 3.920 0 50 EHAA COc1cc(Cl)cc(CCOC(=O)c2cncc3c2CCC3)c1 2325854567 KIVSZNZGICZHPW-UHFFFAOYSA-N 331.799 3.632 0 50 EHAA C[C@H](NC1=NC[C@@H]2CC[C@@H](C)CN12)c1nc2c(s1)CCCCC2 2325863479 LHGAIVLZWNYKSO-RDBSUJKOSA-N 332.517 3.533 0 50 EHAA CN(C[C@H]1CCCS1)c1nc2cc(Br)ccc2n1C 2325874287 HAOITLHWUBSLBW-LLVKDONJSA-N 340.290 3.668 0 50 EHAA COc1ccc(Cc2noc(COc3ccc(Cl)cc3)n2)cc1 78920 OQISIHAJCWICIR-UHFFFAOYSA-N 330.771 3.901 0 50 EHAA O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Cl)cc1Cl 116370 KUTDTUUCAULQFJ-UHFFFAOYSA-N 346.217 3.872 0 50 EHAA Cc1cc(C)cc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 121840 DIRNSOVHILFJFV-UHFFFAOYSA-N 340.810 3.735 0 50 EHAA FC(F)(F)c1cc(-c2cccs2)nc(NC[C@H]2CCCO2)n1 213291 RLROGYDKUGFHHB-SECBINFHSA-N 329.347 3.815 0 50 EHAA Cc1cc(C)n2nc(-c3ccc(I)cc3)cc2n1 344731 RDAIAEJVYKUOFL-UHFFFAOYSA-N 349.175 3.618 0 50 EHAA O=C(COc1ccc(Cl)cc1Cl)Nc1nc2ccccc2[nH]1 389058 ANNNNVNSGXXZKV-UHFFFAOYSA-N 336.178 3.887 0 50 EHAA CN1C(=O)c2ccccc2[C@]1(O)C(C)(c1ccccc1)c1ccccc1 398529 KOMNTFBNHVGCKI-QHCPKHFHSA-N 343.426 3.924 0 50 EHAA CCc1ccc(O)c(NC(=S)NC(=O)c2cccc(Cl)c2)c1 456528 PVUYIAZFHNTQFR-UHFFFAOYSA-N 334.828 3.735 0 50 EHAA O=C(CNC(=O)c1ccccc1)OC(c1ccccc1)c1ccccc1 466922 MACGMAIGMLWORX-UHFFFAOYSA-N 345.398 3.749 0 50 EHAA O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1cccs1 573700 IXXREZCTMLKQQJ-UHFFFAOYSA-N 338.432 3.612 0 50 EHAA Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)s2)cc1 1070517 UCKPTQCHQBAJIB-UHFFFAOYSA-N 342.449 3.639 0 50 EHAA CCCc1cc(NCCN(C)C)n2nc(C)c(-c3ccccc3)c2n1 2440077 DHPWMVRBNLIVTM-UHFFFAOYSA-N 337.471 3.631 0 50 EHAA CCc1ccc(-c2nnc(SCc3ccc(F)cc3)n2N)cc1 2544552 FQHWTSWKLCIYAO-UHFFFAOYSA-N 328.416 3.653 0 50 EHAA Cc1ccc(F)cc1NC(=O)c1ccn(COc2ccc(F)cc2)n1 2788226 UHNJOEBVLQAEHW-UHFFFAOYSA-N 343.333 3.759 0 50 EHAA COc1ccc(CNC(=O)c2cc(F)c(F)cc2Cl)cc1OC 2839004 BOGDMXQPPDXIHT-UHFFFAOYSA-N 341.741 3.565 0 50 EHAA CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3[nH]2)cc1 3503528 AYOKXIIPUYQJRJ-LBPRGKRZSA-N 339.420 3.885 0 50 EHAA O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1C(=O)O 4652572 LTDGNQBCXLPCMP-WDEREUQCSA-N 330.211 3.501 0 50 EHAA COc1ccc2nc(NC(=O)c3cccc(C)c3OC)sc2c1 4842282 XTMHJILRBILCLA-UHFFFAOYSA-N 328.393 3.874 0 50 EHAA O=C(Nc1ccc(Br)cc1)c1ccc2snnc2c1 6809208 YBEZVALUYCGXKZ-UHFFFAOYSA-N 334.198 3.706 0 50 EHAA COc1ccc(-c2nc(CN3CCC[C@H](OC)C3)c(C)o2)c(C)c1C 12030563 FMTMQOKJMLQFKS-INIZCTEOSA-N 344.455 3.886 0 50 EHAA CCc1nnc(SCC(=O)Nc2ccccc2C)n1CC(C)C 13945017 SFRKVRHAPVMYII-UHFFFAOYSA-N 332.473 3.536 0 50 EHAA O=C(Nc1cccc(C(=O)Nc2ccc(F)cc2)c1)c1cccnc1 14555084 OYKHUPSRUHFMBO-UHFFFAOYSA-N 335.338 3.725 0 50 EHAA CCOc1ccccc1NC(=O)c1nnn(-c2ccccc2)c1C1CC1 16647473 IIJXRXDJESXCSA-UHFFFAOYSA-N 348.406 3.796 0 50 EHAA Cc1ccc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc1 19770585 QEZCYQQCUOSFCC-UHFFFAOYSA-N 325.481 3.510 0 50 EHAA COc1ccc2nc(SCc3cc(C=O)ccc3OC)[nH]c2c1 32919321 YZJXMVKZYIBEMS-UHFFFAOYSA-N 328.393 3.685 0 50 EHAA O=C(Cn1ccc2ccc(F)cc21)Nc1ccc2c(c1)OCCCO2 36357317 AZGUTEFALLDCRM-UHFFFAOYSA-N 340.354 3.580 0 50 EHAA CC(=O)Nc1cccc(Nc2nc(NC3CC3)c3ccccc3n2)c1 41149597 PYRDKMAQDLBAJX-UHFFFAOYSA-N 333.395 3.906 0 50 EHAA Cc1noc(C)c1CC(=O)Nc1ncc(Cc2cccc(F)c2)s1 46270972 NOGWGKDTLIJZMW-UHFFFAOYSA-N 345.399 3.659 0 50 EHAA Cc1cc(C(=O)N(C)Cc2ccoc2)c(NC(=O)C(C)(C)C)s1 55071771 FPQRHSUCGYTNDU-UHFFFAOYSA-N 334.441 3.906 0 50 EHAA Cn1ccnc1-c1ccccc1-c1nc(CCc2ccccc2)n[nH]1 65373157 DPTMFPLOEQBPLE-UHFFFAOYSA-N 329.407 3.657 0 50 EHAA Clc1ccc([C@@H]2CN(c3ncnc4[nH]ccc34)CCO2)cc1Cl 66815606 FQKVUKSNMDLXAF-AWEZNQCLSA-N 349.221 3.843 0 50 EHAA COc1ccc(CN2CCc3[nH]cnc3[C@@H]2c2ccoc2)c(C)c1C 67856599 LDEBEXZETJJFBX-FQEVSTJZSA-N 337.423 3.776 0 50 EHAA CC1=CC[C@@H]2CN(C(=O)c3ccc(Cn4nc(C)cc4C)cc3)C[C@@H]2C1 71758838 LCMJFRKIVTWLGC-RTWAWAEBSA-N 349.478 3.977 0 50 EHAA O=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1CCOCC1 72147356 KMZNNDPSQBSJKS-UHFFFAOYSA-N 340.810 3.961 0 50 EHAA O=C(c1n[nH]c2c1CCCC2)N1CCCC[C@H]1c1ccc(F)cc1 77523573 MOSFBTXEXXZKRT-KRWDZBQOSA-N 327.403 3.795 0 50 EHAA Cn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)C1 82106798 WFUUDZNVYAIJIP-IBGZPJMESA-N 333.435 3.522 0 50 EHAA O=C(Nc1ccc(O)c(Cl)c1)c1ccc(C(=O)c2cc[nH]c2)cc1 129523154 OPCMBRVAPFXNBR-UHFFFAOYSA-N 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c1ccc(-c2ncsc2CNCc2nc(-c3ccco3)no2)cc1 65371580 PXNDSPGNQCCXST-UHFFFAOYSA-N 338.392 3.743 0 50 EHAA COCC[C@H]1CCCCN1Cc1cc2ccc(Cl)cc2[nH]c1=O 67540161 ZUHCISXYUSWUEB-MRXNPFEDSA-N 334.847 3.573 0 50 EHAA Cc1oc(-c2cccc(Cl)c2)nc1CN(C)Cc1nccn1C 67867546 LUWJNAZZMLPPJF-UHFFFAOYSA-N 330.819 3.669 0 50 EHAA Cc1ncc(C)c(N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)n1 67935112 WVCRBFYQVLAFHZ-LJQANCHMSA-N 345.874 3.568 0 50 EHAA CC(C)[C@@H]1CN(C(=O)C(C)(C)C)CCCN1Cc1ccc(F)cc1 71771071 VNAMFUQIMZUMHW-SFHVURJKSA-N 334.479 3.931 0 50 EHAA Cc1ccc2nc(C)c(C)c(C(=O)N3CC(c4ccccn4)C3)c2c1 95530521 RSCTZWGVEWZKMM-UHFFFAOYSA-N 331.419 3.795 0 50 EHAA COc1ccccc1Cn1nccc1NC(=O)NCC1=CCCCC1 96165820 FIGGWHMKGAFWJI-UHFFFAOYSA-N 340.427 3.562 0 50 EHAA Cc1nc2cc(C(=O)N[C@@H](C)c3nc(CC(C)C)no3)ccc2s1 97514330 SWPWWYWIEJJBCG-JTQLQIEISA-N 344.440 3.677 0 50 EHAA Cc1ccc(Sc2ncccc2C(=O)NCC2(C)COC2)cc1C 112620663 OVBNHGUWRRRCLF-UHFFFAOYSA-N 342.464 3.616 0 50 EHAA O=C(Nc1cc(Br)ccn1)c1cc(-c2ccccc2)no1 123515988 GSQZDWPPSYMQBN-UHFFFAOYSA-N 344.168 3.751 0 50 EHAA C[C@@H](Nc1ccc2c(c1)OCC(=O)N2)c1ncc(-c2ccccc2)o1 173977255 CRYKMKPNISDRSM-GFCCVEGCSA-N 335.363 3.846 0 50 EHAA O=C(c1ccoc1Br)N(CC(F)(F)F)C1CCCC1 192679304 OCZNONQSSVZFBF-UHFFFAOYSA-N 340.139 3.989 0 50 EHAA CC(=O)c1cc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)ccc1C 194031931 HJPVMFBEJHCTRD-UHFFFAOYSA-N 336.391 3.725 0 50 EHAA COc1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)cc1C(=O)O 215968678 NUDWANZGFVYTRI-OAHLLOKOSA-N 329.371 3.522 0 50 EHAA Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C(F)F 216902265 RICAIQZCSLXPTQ-UHFFFAOYSA-N 325.171 3.529 0 50 EHAA CSCc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)O)ccc1F 237380012 AGTRQECEBDTVSZ-CQSZACIVSA-N 339.432 3.548 0 50 EHAA O=C(CCCn1ccnc1)NCc1ccc(-c2ccc(Cl)cc2)o1 240128305 IPMWBKDLUOBFDQ-UHFFFAOYSA-N 343.814 3.893 0 50 EHAA CCc1ccc(CN(C)CCC(=O)Nc2ccc3c(c2)CCC3)nc1 244659624 HGAQTZGHXPCDGV-UHFFFAOYSA-N 337.467 3.593 0 50 EHAA Cc1ocnc1CNC(=O)NC1CCC(c2ccc(F)cc2)CC1 272830183 WOKJKXJVTXQDAF-UHFFFAOYSA-N 331.391 3.648 0 50 EHAA O=C(N[C@H]1CCOc2c(F)cccc21)[C@@H]1CCCc2c(O)cccc21 276954587 YKVOJYDXISJCSA-PBHICJAKSA-N 341.382 3.591 0 50 EHAA O=C(NC1CC(F)(F)C1)N[C@@H]1CCCOc2cc(Cl)ccc21 277366552 BIBGKCYMMDWUEU-GFCCVEGCSA-N 330.762 3.651 0 50 EHAA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cc(C)sc1C 285393779 FJXKSCLOSFQRHR-JGGQBBKZSA-N 347.484 3.536 0 50 EHAA COc1ccc2c(C(=O)N(C)CCC[C@@H]3CCCO3)cc(C)nc2c1 299763387 VFGYFCPQNAFDQH-OAHLLOKOSA-N 342.439 3.583 0 50 EHAA CCSc1ccccc1NC(=O)NCc1cncn1CC(C)C 299765956 YHVMDKMWVKOFCB-UHFFFAOYSA-N 332.473 3.973 0 50 EHAA CCS(=O)(=O)c1ccc(NC(=O)c2coc3cc(F)ccc23)cc1 353849616 DMWLHPPYQHZCBU-UHFFFAOYSA-N 347.367 3.618 0 50 EHAA O=C(Nc1cccc(C(=O)N2CC[C@H](CC3CC3)C2)c1)c1ccco1 359676107 BBMVEBYNKBKBAR-OAHLLOKOSA-N 338.407 3.794 0 50 EHAA Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1nc(C2CCCCC2)co1 371067355 YDSMPEMIXHBKCZ-MRXNPFEDSA-N 328.416 3.731 0 50 EHAA CC(C)Cc1cc(C(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)n[nH]1 409415314 ZWPCCFUYHFIRNF-QGZVFWFLSA-N 336.439 3.897 0 50 EHAA Cc1ccc(-c2nc(CN3CC[C@](CO)(c4ccccc4)C3)co2)cc1 463039463 ZQEMJRHFDDXVHU-QFIPXVFZSA-N 348.446 3.786 0 50 EHAA CCn1nc(C)c([C@@H](C)NC(=O)c2ccc(-c3cnco3)cc2)c1C 670452218 QAKBTRMMQUZZNT-GFCCVEGCSA-N 338.411 3.666 0 50 EHAA CCN(CCOC)C(=O)c1cccc(-c2nc(C)nc3ccccc23)c1 824400722 NTZHCJGFMKNTDX-UHFFFAOYSA-N 349.434 3.714 0 50 EHAA O=C(O)[C@H]1CCCCN1C(=O)c1ccc(-c2cccc(F)c2)cc1 952969738 MXZJXCXHFIBTQF-QGZVFWFLSA-N 327.355 3.572 0 50 EHAA COc1ccc(-c2ccc(C(=O)N(C)Cc3ncccc3C)o2)cc1 1506418728 ZRMFJQZLUNISOS-UHFFFAOYSA-N 336.391 3.931 0 50 EHAA CC(C)c1ccc(CCCNc2cccc(C(=O)N(C)C)n2)cc1 1529099527 AGKFINLQVMCUCQ-UHFFFAOYSA-N 325.456 3.952 0 50 EHAA Cc1c(O)cccc1C(=O)N1C[C@H](C(C)C)O[C@H](c2ccccc2)C1 1529100122 NVHNPKNJPMXDJR-UXHICEINSA-N 339.435 3.939 0 50 EHAA Cc1cc(C)n(-c2ccc(-c3cnc4[nH]cc(C(=O)O)c4c3)cc2)n1 1875355810 AOJDYEZOMMJKLA-UHFFFAOYSA-N 332.363 3.731 0 50 EHAA Cc1nc(-c2noc([C@@]3(C)CCOc4ccccc43)n2)ncc1Cl 2325777446 BZWYCGWVSPLASB-KRWDZBQOSA-N 342.786 3.577 0 50 EHAA O=S(=O)(Nc1cccc2ccc(O)nc12)c1sccc1C1CC1 2325866231 DXQZQTGBCDFXJN-UHFFFAOYSA-N 346.433 3.680 0 50 EHAA O=C1NCCC[C@]12CCCN2Cc1cccc(Oc2ccccc2)c1 2356136123 HPBQZIOOOPRBPN-NRFANRHFSA-N 336.435 3.724 0 50 EHAA C[C@H](Oc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1)C(=O)O 83636 RBZWDICAXJFHSY-JTQLQIEISA-N 326.304 3.650 0 50 EHAA biogenic O=C(c1cccc(Cl)c1)N1CCN(CCCc2ccccc2)CC1 88174 JHRZAMFRSIKIOP-UHFFFAOYSA-N 342.870 3.731 0 50 EHAA S=C(Nc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 278629 WVPVZJCVYZSPJH-UHFFFAOYSA-N 331.872 3.859 0 50 EHAA Cc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)s1 375362 ZZMZIKOEUQRFMC-UHFFFAOYSA-N 333.360 3.596 0 50 EHAA Cc1ccc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 858828 HCCOVQMKSWOORY-UHFFFAOYSA-N 344.455 3.575 0 50 EHAA COc1ccc(NC(=O)c2cc(-c3cccs3)on2)c(OC)c1 2465660 ZZGDBDORHZQPAU-UHFFFAOYSA-N 330.365 3.673 0 50 EHAA COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)ccc2OC)c1 3555931 KYZDMKNIXHJQSF-UHFFFAOYSA-N 333.771 3.696 0 50 EHAA CC(=O)O[C@H]1CS[C@H]2c3ccccc3C(=O)N2Cc2sccc21 4108891 FGEJKORVRVLUJI-YOEHRIQHSA-N 345.445 3.754 0 50 EHAA CC1(C)CC(N[S@@](=O)c2ccc3ccccc3c2)CC(C)(C)N1 4294126 SLXQDWNEMRJNFQ-HSZRJFAPSA-N 330.497 3.761 0 50 EHAA CC(=O)c1cc2c(cc1NC(=O)Nc1ccc(Cl)cc1)OCCO2 4840238 VVULVJSCPXAGCS-UHFFFAOYSA-N 346.770 3.958 0 50 EHAA Clc1ccc(-c2cnnc(N3CCC[C@@H]3c3nccs3)n2)cc1 11813610 QPSONQKQRWWNGJ-CQSZACIVSA-N 343.843 3.990 0 50 EHAA CN(C(=O)C1CCCC1)[C@@H]1CCCN(CCCc2ccccc2)C1 11951699 KQSYXSBSVLWTNH-HXUWFJFHSA-N 328.500 3.732 0 50 EHAA CC(C)CN(C)C(=O)c1cc(COc2cccc3cccnc23)on1 12571185 JZFLORHXWMAQRZ-UHFFFAOYSA-N 339.395 3.530 0 50 EHAA S=C(NCCc1cccc(Cl)c1)Nc1ccc2c(c1)OCO2 13323861 SLRHAIIHUVVFOI-UHFFFAOYSA-N 334.828 3.598 0 50 EHAA CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1 14223824 VOLPQVIQGWSVAO-UHFFFAOYSA-N 346.452 3.644 0 50 EHAA Cc1cnc(N2CCC[C@H](c3ccccc3)C2)nc1-c1cnn(C)c1 19951978 HVYMOOLYVPKXIY-KRWDZBQOSA-N 333.439 3.570 0 50 EHAA COCC1(C(=O)Nc2ccc(NC(=O)c3coc(C)c3)cc2)CCC1 55393360 KFEZEPJPIGCEQE-UHFFFAOYSA-N 342.395 3.596 0 50 EHAA COc1cc(F)ccc1-c1c(-c2ccccc2)ncn1CCCO 65393576 DJNVAKGOFZFUEI-UHFFFAOYSA-N 326.371 3.747 0 50 EHAA Cc1ccccc1Oc1ncccc1CNC(=O)[C@H](O)c1ccccc1 67674669 SLHVZLNOAWBUNB-LJQANCHMSA-N 348.402 3.532 0 50 EHAA O=C(O)c1ccc(N2CCC[C@@H](c3n[nH]cc3-c3ccccc3)C2)nc1 67895088 FXNJGWGHXINWEE-MRXNPFEDSA-N 348.406 3.554 0 50 EHAA CCc1cnc(C)nc1-c1cc(O)cc(CC[C@H]2CCCCN2)c1 71639167 XSEOYYFRVVEUPO-GOSISDBHSA-N 325.456 3.795 0 50 EHAA COc1ccc(F)c(F)c1-c1nccn1CC1CCN(C(C)C)CC1 71764833 SNKWGTUPHBIBMW-UHFFFAOYSA-N 349.425 3.957 0 50 EHAA Cc1ncsc1C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 77284579 ZAZXIAYGCUPWEO-ZDUSSCGKSA-N 334.416 3.522 0 50 EHAA CNC(=O)c1cccc(Cn2ccnc2-c2ccc(Cl)s2)c1 77298182 FKUCCMATAGDOQU-UHFFFAOYSA-N 331.828 3.673 0 50 EHAA CNc1nc(C(=O)N2CCCC[C@@H]2CCc2cccs2)cs1 77471488 RWEQFMFIAMKERZ-GFCCVEGCSA-N 335.498 3.874 0 50 EHAA O=C(NCCc1ccco1)c1ccc2nc(-c3ccc(F)cc3)cn2c1 95368434 BZGRFSMFVVAKNP-UHFFFAOYSA-N 349.365 3.706 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc4nc(C)oc4c3)C2)c1 111719281 IKZWTYZOPYCSPQ-OAHLLOKOSA-N 339.399 3.510 0 50 EHAA Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 126894278 HZGKUWPFAGVAEU-UHFFFAOYSA-N 334.441 3.959 0 50 EHAA Cc1cnc(CNc2cc(Br)ccc2N2CCCC2)o1 129650012 OEZANSLPFLBCPW-UHFFFAOYSA-N 336.233 3.958 0 50 EHAA Cc1cc(CC(=O)NC2(c3ccc(Cl)cc3)CCCCC2)n[nH]1 132128105 GQRJNGCIPOHHNX-UHFFFAOYSA-N 331.847 3.890 0 50 EHAA COc1ccc(CN2C(=O)[C@H](N)c3ccccc3-c3ccccc32)cc1 137878628 RGIAKVUPTSFCMY-OAQYLSRUSA-N 344.414 3.909 0 50 EHAA CCn1cc(CNc2ccc(C(=O)N3CCC(C)CC3)cc2C)cn1 170616119 LIDGOVYBIGXRDW-UHFFFAOYSA-N 340.471 3.696 0 50 EHAA COc1cccc2c1N(C(=O)c1sc([C@H](C)OC)nc1C)CCC2 175521223 VBBZBHICNQYBLQ-LBPRGKRZSA-N 346.452 3.761 0 50 EHAA CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1 182335313 MMZLSBVXUDAJDE-LBPRGKRZSA-N 339.407 3.609 0 50 EHAA CO[C@H](CNC(=O)N1CCC[C@@H]1c1csc(C)n1)c1ccccc1 186375150 MJNQGBXKAFNFPO-IAGOWNOFSA-N 345.468 3.686 0 50 EHAA O=C(Cc1cccs1)N1CCC[C@@H]1c1nc(-c2ccsc2)no1 193150763 TVOVMFZGNXUXLH-CYBMUJFWSA-N 345.449 3.766 0 50 EHAA COC(=O)/C(=C\c1ccc(C(F)(F)F)cc1)NC(=O)OC(C)(C)C 214084528 UULXKCCBPCVSCR-FMIVXFBMSA-N 345.317 3.744 0 50 EHAA Cc1c[nH]c([C@H](C)NC(=O)CCc2ccc(-c3cccs3)o2)n1 222505746 UUGGADPTJRTAAH-LBPRGKRZSA-N 329.425 3.850 0 50 EHAA CC(C)(C)c1nc2cc(NC(=O)Cc3ccc(F)cn3)ccc2o1 225503265 SHEVRRUQMLVUSJ-UHFFFAOYSA-N 327.359 3.841 0 50 EHAA FC(F)(F)c1nc(NCc2ccc(C3CC3)cc2)c2nc[nH]c2n1 252492571 MPMHHLRXOTWXJX-UHFFFAOYSA-N 333.317 3.861 0 50 EHAA Cc1nc(CC(C)C)oc1C(=O)NCCc1c[nH]c2ccccc12 252496472 PJEYBLHBSKLFAA-UHFFFAOYSA-N 325.412 3.635 0 50 EHAA Cc1c(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cccc1OC(F)F 252506054 OQDLMXLGLOBWQN-ZLKJLUDKSA-N 340.370 3.531 0 50 EHAA C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1Nc1cccc(-c2ncco2)c1 253370664 ULGNNHDZKHFOFQ-LZQZEXGQSA-N 341.455 3.643 0 50 EHAA Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 266786922 HRJWDCZCCXULME-BFYDXBDKSA-N 344.459 3.603 0 50 EHAA Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H](C)CCCO)cc1F 268633480 FLXOSTXXCWKTBS-ZDUSSCGKSA-N 333.378 3.831 0 50 EHAA COCCOC1CCC(C(=O)N2C[C@@H](C)Sc3ccccc32)CC1 280414170 SHSNFRCFXKARHY-QQFBHYJXSA-N 349.496 3.736 0 50 EHAA Cn1cnc2cc(NC(=O)NCc3ccc4c(c3)CCCC4)ccc21 299787681 YYDIGKDGZITEPI-UHFFFAOYSA-N 334.423 3.774 0 50 EHAA CC(C)n1c([C@@H](C)NC(=O)[C@H](C)c2ccccn2)nc2ccccc21 339281710 IUATYRKWDIGWRI-HUUCEWRRSA-N 336.439 3.993 0 50 EHAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCc1ccc(F)cc1)(C3)C2 822692551 WNPWPOBGYDEVOK-UMSONDCASA-N 345.458 3.596 0 50 EHAA Cc1ccc(F)c(S(=O)(=O)N[C@H](C)c2ccc(F)c(C)c2)c1 1212023737 QRSZDBJYQRTWMC-GFCCVEGCSA-N 325.380 3.621 0 50 EHAA Cc1ccc(N2CCC(N3CCC[C@H](CCC(=O)O)C3)CC2)cc1 1506425758 RDCMENBHKKDZBA-QGZVFWFLSA-N 330.472 3.541 0 50 EHAA CC(C)[C@H]1CN(Cc2cnc(C3CCCCC3)nc2)C[C@@H]1N(C)C 1565516227 YRSYUGOIUXDGBQ-MOPGFXCFSA-N 330.520 3.542 0 50 EHAA Cc1ccc2nc(O)c(-c3nccn3[C@H]3CC34CCN(C)CC4)cc2c1 1857693705 ITOQIHKPMSLEOQ-SFHVURJKSA-N 348.450 3.769 0 50 EHAA N[C@H]1CCCC12CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 2325800024 HSJUIHJLGMIAOE-KRWDZBQOSA-N 342.874 3.895 0 50 EHAA Cc1ccccc1C[C@@H](CO)CN[C@@H](C)Cc1c[nH]c2ccccc12 2325841770 FTTYZXYYALDJQY-ZWKOTPCHSA-N 336.479 3.848 0 50 EHAA CCc1cc([C@H]2CCCCN2Cc2cnc3ccc(OC)cn23)on1 2325852437 FYNAAPZZIHDMJR-QGZVFWFLSA-N 340.427 3.621 0 50 EHAA COc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(O)nc1C(C)C 2356148136 IWUJAXSPRGPKEO-QGZVFWFLSA-N 340.423 3.727 0 50 EHAA Cn1c(SCc2ccc3c(c2)OCO3)nnc1-c1ccccc1 60966 GNRDOSDAWZCYSK-UHFFFAOYSA-N 325.393 3.503 0 50 EHAA Cc1cccc(NC(=S)N2CCN(c3ccccc3F)CC2)c1 414641 UWZOVKKMYBMIFE-UHFFFAOYSA-N 329.444 3.653 0 50 EHAA COc1ccc(CCNC(=O)c2csc3c2CCCC3)cc1OC 543195 BWGHWNYEJUPTPC-UHFFFAOYSA-N 345.464 3.617 0 50 EHAA CCn1c(-c2cc3c(C(F)(F)F)nn(C)c3s2)n[nH]c1=S 5679307 NDPGBLUZXBKNDX-UHFFFAOYSA-N 333.364 3.595 0 50 EHAA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCc1cccnc1 6571094 VLYAEZGZCGCQHC-INIZCTEOSA-N 332.403 3.832 0 50 EHAA CCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 13327648 PKRPMDAJVZZTDG-MRXNPFEDSA-N 346.515 3.742 0 50 EHAA Fc1ccccc1-c1noc(-c2ccc(NCc3ccccn3)nc2)n1 19639495 HVZXUUUHQIRPAF-UHFFFAOYSA-N 347.353 3.945 0 50 EHAA CCC(C)(C)c1nnc(NC(=O)NCc2ccc(F)cc2F)s1 55089246 WXVLIBVPKQLCGS-UHFFFAOYSA-N 340.399 3.826 0 50 EHAA CCOc1cc([C@@H]2C[C@H](NC(C)=O)C[C@H](CC(C)C)O2)ccc1OC 65387050 PSIGPLUAWQPQOE-AOIWGVFYSA-N 349.471 3.865 0 50 EHAA C[C@@H](c1ccccn1)N(C)Cc1c(-c2ccccc2)nc2ncccn12 67973691 BJUWBAPLVKOJSB-INIZCTEOSA-N 343.434 3.984 0 50 EHAA CCCc1n[nH]cc1C(=O)N1CCCC[C@@H]1c1cccc(OC)c1 77437455 UINKYTCSYXQLPI-GOSISDBHSA-N 327.428 3.738 0 50 EHAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCCCc1ccncc1 91664777 XIMRJTOODTUNKR-UHFFFAOYSA-N 335.451 3.780 0 50 EHAA Cc1nc(Cc2c(Cl)cccc2Cl)nn1[C@@H]1CCCC[C@H]1O 91872460 ZIOXKCPLZOCSNH-HUUCEWRRSA-N 340.254 3.960 0 50 EHAA Cc1ccc2nsnc2c1NC(=O)N(C)Cc1cc(C(C)C)no1 95498865 RJAJUCQQORBHAB-UHFFFAOYSA-N 345.428 3.775 0 50 EHAA COc1ccc(-c2ccc(C(=O)N3CCCCC3)o2)c(OC)c1OC 96138161 NEJODPFSLACLDA-UHFFFAOYSA-N 345.395 3.599 0 50 EHAA COc1cc(CN2CC[C@@H]2c2ccc(F)cc2)cc(OC)c1OC 97775745 BXCOCXDWDXYSEV-MRXNPFEDSA-N 331.387 3.799 0 50 EHAA Cc1ccc(C(=O)CC(=O)c2ccc(Br)cc2)c(O)c1 100640325 PQJACAMSQQHBIW-UHFFFAOYSA-N 333.181 3.919 0 50 EHAA CCO[C@H]1c2c(c3ccccc3oc2=O)N=C2C=CC(Cl)=CN21 169453886 RHSNDSDIIAEVRW-INIZCTEOSA-N 328.755 3.824 0 50 EHAA Cc1ccc2c(c1)[C@H](NCc1cccc(CN3CCCC3=O)c1)CC2 177995062 ZBSHJJFWEWZQAD-OAQYLSRUSA-N 334.463 3.895 0 50 EHAA CCCN(C(=O)CCc1ccc(-c2ccccc2F)o1)[C@@H]1CCNC1 178905003 FONPSCQOUGFLDY-OAHLLOKOSA-N 344.430 3.619 0 50 EHAA Cc1cc(NC(=O)c2n[nH]nc2-c2cccc(Cl)c2)ccc1F 206652991 UDAXGYNLAMCIRW-UHFFFAOYSA-N 330.750 3.825 0 50 EHAA C[C@@H]1C[C@H]1[C@@H](NCc1cn2cccnc2n1)c1ccc(Cl)cc1 221718398 JVHXYBBXHNRBJZ-JLZZUVOBSA-N 326.831 3.870 0 50 EHAA C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc(-c2ccc(F)c(F)c2)no1 225507781 ZAEHUOGHKLRPLM-IXPVHAAZSA-N 347.365 3.724 0 50 EHAA O=C(CCN1CCCC[C@@H]1c1cccc(F)c1)Nc1nccs1 244735080 NSTHEKUFJZIFPG-OAHLLOKOSA-N 333.432 3.838 0 50 EHAA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(-c2ccccc2)cc1 245226728 JQGWOWURTIHLPQ-POHNSKBLSA-N 341.410 3.911 0 50 EHAA COc1cc(NC(=O)N2CCC[C@@H]2C2CCC2)c(OC)c(C)c1OC 253431804 IDJXUBZIEXKQMV-OAHLLOKOSA-N 348.443 3.817 0 50 EHAA C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@](C)(O)[C@]4(C)C[C@@H](O)[C@H]32)CC1=O 257358217 SFKLNBOMRUIZOU-PDEDQIIKSA-N 334.500 3.566 0 50 EHAA CCOC(=O)c1ccc(Br)c(Br)c1F 263623491 HXFOMSDARCWLEU-UHFFFAOYSA-N 325.959 3.527 0 50 EHAA CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1cc(C2CC2)no1 281629120 CXYNUKCBNQHAQB-QGZVFWFLSA-N 346.402 3.523 0 50 EHAA C[C@H](NC(=O)c1ccc(N(C)C)cn1)c1ccc(-c2cccnc2)cc1 358532738 HIPGPVKAEFXIAG-HNNXBMFYSA-N 346.434 3.701 0 50 EHAA CC(C)(C)/C=C/C(=O)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 369501364 BJNWPYSWTQXFLS-MQDFFIGUSA-N 332.513 3.821 0 50 EHAA O=C(c1ccc(Oc2ccccc2)o1)N1CCOC[C@H]1c1ccco1 370106927 CFUBEWHWMMMSCO-HNNXBMFYSA-N 339.347 3.879 0 50 EHAA CC(C)(C)OC(=O)N1Cc2ccc(N[C@H]3CCCOCC3)cc2C1 386425879 IFIIMEQFCZRGBR-INIZCTEOSA-N 332.444 3.918 0 50 EHAA C[C@H](NC(=O)CSc1ccc(C(C)(C)C)cc1)c1csnn1 412809179 WBWRPOPLXLIHMC-NSHDSACASA-N 335.498 3.805 0 50 EHAA C[C@](O)(CNCc1cnn(C2CCCC2)c1-c1ccccc1)C1CC1 421363436 LJPRAOGEJDBWAJ-NRFANRHFSA-N 339.483 3.916 0 50 EHAA COc1cccc(CNC(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)n1 655277259 AGABVBRLYQMMAU-SFHVURJKSA-N 337.423 3.527 0 50 EHAA CNC(=O)CCc1ccccc1NC(=O)c1cc(Cl)ccc1C 823819862 ZQNAFWTYOCIKJD-UHFFFAOYSA-N 330.815 3.579 0 50 EHAA Cc1ccc2c(c1)cc(CN(Cc1cocn1)Cc1cocn1)n2C 825206805 QCNVMPOWMXHTDJ-UHFFFAOYSA-N 336.395 3.665 0 50 EHAA CC(C)N[C@@H]1CCCN(C(=O)c2cc3c(C4CC4)cccc3[nH]2)C1 878577479 KHLXRDXDBIBLJK-OAHLLOKOSA-N 325.456 3.648 0 50 EHAA CC(C)OCc1noc(CN2CCc3ccc(Cl)cc3[C@H](C)C2)n1 930849962 RSTNSUGUCQYPOJ-CYBMUJFWSA-N 349.862 3.810 0 50 EHAA c1ccc(-c2nc(CN3CCC(c4ncco4)CC3)cs2)nc1 931450780 BRYDVUYSCDOVJO-UHFFFAOYSA-N 326.425 3.573 0 50 EHAA Cc1noc(C)c1[C@H](C)CNC(=O)c1cc(-c2ccccc2)ccn1 935043751 SUMDJVBYWWJPOF-CYBMUJFWSA-N 335.407 3.887 0 50 EHAA CN(Cc1[nH]c2ccccc2c1Cl)C[C@@H]1CC(=O)N(C(C)(C)C)C1 952967510 KRAFHMPLPJIKGR-ZDUSSCGKSA-N 347.890 3.900 0 50 EHAA C[C@H](NCc1cccc(N(C)C)c1)c1cc(Br)ccn1 952992737 AAHGRGAWAOFPEH-LBPRGKRZSA-N 334.261 3.761 0 50 EHAA C=CC(=O)N1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1356520242 JRGYLELMBWNESY-UHFFFAOYSA-N 330.428 3.926 0 50 EHAA Cc1ccsc1[C@@H](CNC1CCN(Cc2ccco2)CC1)N(C)C 1506418248 GOEDIRGKOXOYTP-GOSISDBHSA-N 347.528 3.506 0 50 EHAA c1ccc(-c2nc(NCCSc3nc[nH]n3)c3ccccc3n2)cc1 1506422603 RIJMKAVMQVXNRC-UHFFFAOYSA-N 348.435 3.619 0 50 EHAA Cc1cccc([C@H](CN)C(=O)N2C[C@H](C)C[C@@H]2c2cccc(F)c2)c1 1875316624 CTIRSBPYQODJTK-UIAACRFSSA-N 340.442 3.786 0 50 EHAA Clc1nc2[nH]ccc2c(=NCc2ccnc(-c3ccccc3)c2)[nH]1 1875357229 XPTBBUYXUHSZJT-UHFFFAOYSA-N 335.798 3.707 0 50 EHAA C[C@@H](C(=N)NOCCCOc1ccc(C(C)(C)C)cc1)n1ccnc1 2325731521 PQEBHWBKEZMAMX-HNNXBMFYSA-N 344.459 3.709 0 50 EHAA Cc1ccc(C(C)(C)CC(=O)NCCOc2cncc(Cl)c2)cc1 2325757829 NBPFWHQQFALFNE-UHFFFAOYSA-N 346.858 3.906 0 50 EHAA COc1ccc(-c2cccc(CN3CCC[C@@H](CO)C3)c2)cc1OC 2356156837 SVQINSHALZMORA-QGZVFWFLSA-N 341.451 3.575 0 50 EHAA CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc2ccccc12 69449 AOBHXPSTFJZRKJ-XIKOKIGWSA-N 338.407 3.809 0 50 EHAA CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(C)cc2)NC(=O)N1 70842 BWDDWLNKKBXBFX-GOSISDBHSA-N 335.407 3.570 0 50 EHAA CCOc1ccccc1N1COc2ccc3c(C)cc(=O)oc3c2C1 98322 XCTKPIXUOBTNAZ-UHFFFAOYSA-N 337.375 3.857 0 50 EHAA biogenic CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 132121 BTAXZKOCRXQNFQ-OAHLLOKOSA-N 346.818 3.564 0 50 EHAA Cc1c(NC(=O)c2ccc(C(C)C)cc2)c(=O)n(-c2ccccc2)n1C 461783 FXRSBVKYOKDFAV-UHFFFAOYSA-N 349.434 3.860 0 50 EHAA COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)cc1OC 509563 DQDZGSHDHBRGEX-SFHVURJKSA-N 338.407 3.710 0 50 EHAA CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1576238 UGNIYGNGCNXHTR-GOSISDBHSA-N 339.391 3.634 0 50 EHAA biogenic COc1ccc(Cc2nnc(S)n2Cc2ccccc2)cc1Cl 5911096 SHUUKNDUFKFACI-UHFFFAOYSA-N 345.855 3.868 0 50 EHAA CCCN1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 8130576 PJRSJSSTYTYLOX-UHFFFAOYSA-N 329.271 3.527 0 50 EHAA CC(C)CCN1CN(Cc2ccccn2)Cn2c1nc1ccccc12 9264974 NFJLSTCWBOLDBP-UHFFFAOYSA-N 335.455 3.715 0 50 EHAA CN(C)c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 9667340 GIYJBJPJHYBXTA-UHFFFAOYSA-N 325.437 3.596 0 50 EHAA O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1ccsc1 11661636 ARVQPSWRNOVKIM-HNNXBMFYSA-N 341.411 3.880 0 50 EHAA COc1ccc([C@@H](CC(=O)N2CCSCC2)c2ccccc2)cc1 12004124 KRAVMKMTOLWGTM-IBGZPJMESA-N 341.476 3.793 0 50 EHAA O=C(c1cscn1)N1CCC[C@H](CCc2ccc(F)cc2F)C1 12385294 VCLYXUWPJNCNEZ-GFCCVEGCSA-N 336.407 3.906 0 50 EHAA C[C@@H](c1cc2ccccc2[nH]1)N(C)CCC(=O)Nc1nccs1 67821486 MZRHBFDHISHQQW-LBPRGKRZSA-N 328.441 3.646 0 50 EHAA CSc1ccc(-c2nc(CN(C)Cc3ccncn3)c(C)o2)cc1 71754789 FPCXKEORVFJIBA-UHFFFAOYSA-N 340.452 3.794 0 50 EHAA O=C1C[C@H](n2ccnc2-c2cccnc2)CN1c1ccccc1Cl 82096506 AXRPDGYIFVARJU-AWEZNQCLSA-N 338.798 3.577 0 50 EHAA CC(=O)c1cc(C(=O)N(C)C[C@@H]2CCN(c3ccccc3)C2)cs1 82106876 KXHLMRWFGGCMQC-HNNXBMFYSA-N 342.464 3.549 0 50 EHAA CCn1ccnc1[C@H]1CCCN(C(=O)Nc2cccc(C)c2C)C1 91625626 RIKNBHQUMBNOEX-INIZCTEOSA-N 326.444 3.931 0 50 EHAA CCCc1nc(C)c(CNc2ncnc3nc(C)cc(C)c23)s1 95386264 BZLWYAMKWYDTSS-UHFFFAOYSA-N 327.457 3.971 0 50 EHAA c1cc([C@H]2CCCN(Cc3ccc(CN4CCCC4)s3)C2)ncn1 102536899 PUYIZJXCRTZITQ-INIZCTEOSA-N 342.512 3.514 0 50 EHAA Cc1nc(C2(NC(=O)C[C@@H](C)c3ccccc3C)CCCC2)no1 115984329 KLGUWIONOYGXGT-CQSZACIVSA-N 327.428 3.766 0 50 EHAA CC(=O)[C@]12O[C@H]1C[C@H]1[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 118916408 MSGQPOBWYUXEOQ-AFYPPJMBSA-N 332.484 3.727 0 50 EHAA CCCn1c(=O)n(Cc2csc([C@@H]3CCCO3)n2)c2ccccc21 152920915 WHTHLAAMNBABFF-INIZCTEOSA-N 343.452 3.569 0 50 EHAA Cc1cc(C)c(S(=O)(=O)NC2CCCCC2)cc1Br 170020857 WTRDMLFYTJFKBC-UHFFFAOYSA-N 346.290 3.677 0 50 EHAA Cc1ccc(C[C@H](C)Nc2cncc(-n3nc(C)cc3C)n2)c(C)c1 170623261 PUSVRZIBAHDXSC-HNNXBMFYSA-N 335.455 3.939 0 50 EHAA O=C(CCc1c[nH]cn1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 189238647 VOOXIWVSADBDNO-KRWDZBQOSA-N 345.855 3.963 0 50 EHAA COc1ccc(CS(=O)(=O)Cc2ccc(F)cc2F)cc1Cl 191088758 KWEMJWLKFJJADH-UHFFFAOYSA-N 346.782 3.742 0 50 EHAA C[C@@H](Nc1cccc(CN(C)Cc2cscn2)c1)[C@@H]1CCOC1 195099772 SNMXFPKBTHFJIE-GDBMZVCRSA-N 331.485 3.612 0 50 EHAA COc1ccc(N(Cc2cccs2)C(=O)CC2CCNCC2)cc1 237454359 YCLBQJAVZIWBNG-UHFFFAOYSA-N 344.480 3.680 0 50 EHAA Cc1cc(F)ccc1-c1ccc(C(=O)N2CC[C@@H](N)C[C@@H]2C)cc1F 237623505 VCMZOZSEJHVTOC-XJKSGUPXSA-N 344.405 3.892 0 50 EHAA Cc1c(C(=O)N2CCC[C@@H](CCC(=O)O)C2)oc2c(C)cccc12 237751928 FFIAXWGHWJXUHE-AWEZNQCLSA-N 329.396 3.767 0 50 EHAA O=C(c1cc(F)cc2cccnc12)N(c1ccccc1)[C@@H]1CCOC1 242178837 XBHBERGQNOMIJD-QGZVFWFLSA-N 336.366 3.810 0 50 EHAA O=C(CCN1CCCC2(CCOCC2)C1)Nc1ccc(Cl)cc1 244796131 RTOBRYDJSDYRDK-UHFFFAOYSA-N 336.863 3.561 0 50 EHAA C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)o1 248032912 PZJNHXVFYQOJJX-BFDPJXHCSA-N 341.407 3.590 0 50 EHAA C[C@@H]1Sc2ccccc2N(C(=O)c2ccnn2CC(F)F)[C@@H]1C 253424186 BONSQNNGGKXPQC-MNOVXSKESA-N 337.395 3.678 0 50 EHAA CSCC[C@H](NC(=O)NC1CCCCC1)c1nc2ccccc2[nH]1 263587332 FQKDHEVVPDNRMA-INIZCTEOSA-N 346.500 3.989 0 50 EHAA FC(F)(F)c1ccc2c(c1)nc([C@@H]1CCCO1)n2C1CCNCC1 299795534 MNNBQBBLAVWRKD-HNNXBMFYSA-N 339.361 3.831 0 50 EHAA CN(C)c1nc2cc(NC(=O)c3ccc4ncccc4c3)ccc2o1 361851905 ZNLSMRSXEJCDQO-UHFFFAOYSA-N 332.363 3.694 0 50 EHAA COc1cnccc1[C@H](C)NC(=O)N1CC2(CCC2)c2ccccc21 365341270 CVHOBTDPVUUMCQ-AWEZNQCLSA-N 337.423 3.803 0 50 EHAA CCCc1ncc(C(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)s1 365534556 GCLIGSKIXYYCIC-GFCCVEGCSA-N 346.456 3.723 0 50 EHAA C[C@@H](c1nc(C(C)(C)C)no1)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O 407981092 RAHJRDMHDOIBQZ-CWVYHPPDSA-N 335.492 3.690 0 50 EHAA Cc1cnccc1-c1cccc(C(=O)N2CC(N3CCCC[C@H]3C)C2)c1 426486414 PMDPGGFLLQLCSN-QGZVFWFLSA-N 349.478 3.756 0 50 EHAA C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 669369023 XIWQWWDPPBNEKG-OAHLLOKOSA-N 325.433 3.749 0 50 EHAA CCc1nc(C)c(C(=O)N(C)Cc2c(C)nc3sc(C)cn23)s1 677655812 BBJTVJNOJCPHHM-UHFFFAOYSA-N 348.497 3.612 0 50 EHAA Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1(C(F)F)CCCC1 685282929 MOSRYUBUUYHBGW-UHFFFAOYSA-N 341.446 3.783 0 50 EHAA Cc1cc(Br)cc(NCc2cc(O)nc(C3CCC3)n2)n1 894965884 LTYOZXVDNAKZAF-UHFFFAOYSA-N 349.232 3.528 0 50 EHAA C[C@@H]1CCN(C(=O)Nc2ccc(-n3nnc4ccccc43)cc2)[C@@H]1C 1467336056 WYXXJQWIMGNWHI-ZIAGYGMSSA-N 335.411 3.683 0 50 EHAA CC1(CN2CCC[C@@H](C(=O)CCc3ccccc3)C2)CCOCC1 1506397500 UIGTXKAOSOXGJE-LJQANCHMSA-N 329.484 3.717 0 50 EHAA Fc1ccc(-c2cc(CN[C@H]3CCN(c4ccccc4)C3)on2)cc1 1506426788 KQXYSPMMLXHZIA-KRWDZBQOSA-N 337.398 3.849 0 50 EHAA O=C(c1cc2ccc(Br)cc2[nH]1)N1CC(F)(C2CC2)C1 1857531088 DGXZADNVKHIKJE-UHFFFAOYSA-N 337.192 3.505 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1cccnc1O 1875279814 FVASTYJEZILDFI-AWEZNQCLSA-N 339.439 3.580 0 50 EHAA Cc1cc(-n2ccnc2C)ccc1CNc1ccc([S@](C)=O)cc1 1875311127 NYOJNASCPKUBGM-DEOSSOPVSA-N 339.464 3.839 0 50 EHAA Cc1ccsc1[C@H](Cc1ccccc1)N=c1[nH]ccn2nccc12 1875336034 QMMSBLQUBIYMNW-INIZCTEOSA-N 334.448 3.917 0 50 EHAA CC(C)c1ccc(-c2noc(-c3coc(-c4cnn(C)c4)n3)n2)cc1 1875353902 KGZCYIRBRSBXRB-UHFFFAOYSA-N 335.367 3.916 0 50 EHAA O=C(O)[C@H]1CCC2(CCC2)N(Cc2nc3c(s2)CCCCC3)C1 2325798264 AKGWOMJTJLDPSG-ZDUSSCGKSA-N 334.485 3.631 0 50 EHAA CC1=CC2(CCN(C(=O)Cc3c(C)[nH]c4ccccc34)CC2)OCC1 2356158874 CMYDZIMSAROXJK-UHFFFAOYSA-N 338.451 3.747 0 50 EHAA Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 61433 XWDRPNUWNMUVSK-NSHDSACASA-N 328.437 3.533 0 50 EHAA Oc1c(Br)cc(Br)cc1Br 388234 BSWWXRFVMJHFBN-UHFFFAOYSA-N 330.801 3.680 0 50 EHAA endogenous,in-man O=[S@](c1ccccc1)c1cccc(S(=O)(=O)c2ccccc2)c1 399882 ZUAZKEHJHAAHCO-QFIPXVFZSA-N 342.441 3.686 0 50 EHAA CCOCCCNCc1ccc(OCc2ccc(F)cc2)c(OC)c1 2178114 ITJUEEFHEQFJNS-UHFFFAOYSA-N 347.430 3.930 0 50 EHAA CCOC(=O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 2312715 BHWVGLNNTAEHHI-UHFFFAOYSA-N 340.404 3.773 0 50 EHAA CCCn1ncc(C(=O)Nc2ccc(NC(=O)CC)c(Cl)c2)c1C 55090193 CZYZOWPBFFTVNA-UHFFFAOYSA-N 348.834 3.856 0 50 EHAA Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1coc2c1C(=O)CCC2 55255166 ONNBGLNVAOEYRD-LLVKDONJSA-N 327.384 3.527 0 50 EHAA Cc1noc(C)c1[C@H](C)CNC(=O)N1CCCC[C@@H]1c1cccn1C 151488454 TWIWDRAZORCKSO-CXAGYDPISA-N 344.459 3.670 0 50 EHAA Cc1ccc([C@H](NC(=O)CCc2ccc(O)cc2)c2ccncc2)cc1 67540725 CQLXLUHKINWENV-QFIPXVFZSA-N 346.430 3.934 0 50 EHAA Cc1nc(C2CC2)oc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 253420587 YOGGTNQWBFGNLL-ZIAGYGMSSA-N 346.452 3.650 0 50 EHAA CCCCc1nc(-c2nccn2CC(=O)Nc2ccccc2C)c[nH]1 77537823 RCHSXEOTZCWZNH-UHFFFAOYSA-N 337.427 3.563 0 50 EHAA Cc1nccn1C[C@H]1CCCN(Cc2ccc3cccc(F)c3n2)C1 72164605 QWSVNNCSONHLOM-INIZCTEOSA-N 338.430 3.791 0 50 EHAA CCOCCC1(C(=O)Nc2nc3c(s2)C(=O)CCC3)CCCC1 155487090 KUUCYTLBAZKBDC-UHFFFAOYSA-N 336.457 3.588 0 50 EHAA Cc1noc(C)c1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71757039 ZBNMIBZVNKKWQD-INIZCTEOSA-N 330.403 3.916 0 50 EHAA CN(C(=O)Nc1ccccc1)[C@H]1CCCN(C2Cc3ccccc3C2)C1 72163674 WTZDICKUHKHBDV-FQEVSTJZSA-N 349.478 3.782 0 50 EHAA CC[C@H](CNC(=O)CN(C)[C@H]1CCC[C@H]1SC)c1ccccc1 241515545 OGFANUUYNQTQGY-BPQIPLTHSA-N 334.529 3.512 0 50 EHAA Cc1ccccc1[C@H]1CCCN(C(=O)c2cc(-c3cccn3C)n[nH]2)C1 77457946 CAGCSFKSYKGERA-INIZCTEOSA-N 348.450 3.743 0 50 EHAA CCc1nnc(-c2cccc(NC(=O)Cc3c[nH]c4ccccc34)c2)o1 175367416 ULDRIBLDUPAXDA-UHFFFAOYSA-N 346.390 3.962 0 50 EHAA O=C(O)C1CCC(Nc2ccc(-c3ncc4n3CCCC4)cc2)CC1 263467682 KLNPFVCDUPMNFC-UHFFFAOYSA-N 339.439 3.942 0 50 EHAA O=C(Nc1nc2ccccc2[nH]1)c1csc(NC2CCCC2)n1 44919770 BXMRWHMWJGICHS-UHFFFAOYSA-N 327.413 3.626 0 50 EHAA CCc1nc(NC[C@@H](O)c2cccc(C(F)(F)F)c2)ncc1C 426442814 BKAQFSDVVZXFHL-CQSZACIVSA-N 325.334 3.512 0 50 EHAA COc1ccc(-c2nn3c(-n4nc(C)cc4C)cc(C)nc3c2C)cc1 40216843 PARGCYLPSWASBE-UHFFFAOYSA-N 347.422 3.824 0 50 EHAA Cc1onc(-c2ccccn2)c1C(=O)N1CCCN(C)c2ccccc21 178270614 ZBXPOHNEEHWVBQ-UHFFFAOYSA-N 348.406 3.532 0 50 EHAA Cc1cc(CC(=O)N2CCC[C@H](c3nccn3C(C)C)C2)ccc1F 95391307 QERLDWIXMPQVEC-KRWDZBQOSA-N 343.446 3.860 0 50 EHAA CCc1nc(C)c(CNC(=O)C2CCN(C3CCCCC3)CC2)s1 95358239 XZFWCVHPLVNDRO-UHFFFAOYSA-N 349.544 3.675 0 50 EHAA Cc1nc(-c2ccc(CNC(=O)C[C@@H]3CCc4ccccc43)cc2)no1 91819684 ZSGISQDASJKKSP-SFHVURJKSA-N 347.418 3.781 0 50 EHAA Cc1ccsc1CN(C)c1cc([C@H]2C[C@H](N)C2)nc(C2CC2)n1 244647069 GUOYKOWBUFRIEZ-HDJSIYSDSA-N 328.485 3.565 0 50 EHAA C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 257357477 OFWWSHNAQHDEIN-ZTPDGBIVSA-N 334.500 3.566 0 50 EHAA COc1cc(F)c([C@H](NCc2cc(C)no2)C(F)(F)F)cc1OC 952878158 ZGPWWHKEXYNKQR-AWEZNQCLSA-N 348.296 3.533 0 50 EHAA CC(C)Cc1nc(CC23COC(C)(C2)C3)n(-c2ccc(F)cc2)n1 1875335775 GLNQZRUFRUBUCU-UHFFFAOYSA-N 329.419 3.717 0 50 EHAA C[C@H]1CO[C@H](CN(C)c2nc(-c3cccnc3)nc3ccccc23)C1 1875332942 RRLBAUDNVBFGNJ-ZBFHGGJFSA-N 334.423 3.553 0 50 EHAA Fc1cnccc1N1CCN(c2nc3ccc(Cl)cc3s2)CC1 1875355654 CVVDIDLCAPQZSG-UHFFFAOYSA-N 348.834 3.810 0 50 EHAA CCN(C[C@@H]1COc2ccccc2O1)c1ncnc2cc(C)c(C)cc12 1875332614 AWYYYEGEIYCKFE-MRXNPFEDSA-N 349.434 3.913 0 50 EHAA Cc1cccc(CC2(NC(=O)CCn3c(C)nc4ccccc43)CC2)c1 952973833 AXKMAZDLOZMNPA-UHFFFAOYSA-N 347.462 3.935 0 50 EHAA CC(C)[C@H](C)CC(=O)N[C@H]1CCCCCN(C(=O)C2(C)CCC2)C1 1775991356 JPPDGZDRPHLTOX-SJORKVTESA-N 336.520 3.746 0 50 EHAA CC(C)[C@H](C)CC(=O)N[C@@H]1CCCCCN(C(=O)C2(C)CCC2)C1 1775991351 JPPDGZDRPHLTOX-IAGOWNOFSA-N 336.520 3.746 0 50 EHAA Cc1c(C(F)(F)F)nn(C)c1NC(=O)Cc1ccc(F)cc1Cl 186113955 OGTZHDDFEGJWCG-UHFFFAOYSA-N 349.715 3.721 0 50 EHAA C=Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)cc1 170595773 AODHWBBMBLOGAY-GOSISDBHSA-N 349.434 3.524 0 50 EHAA O=C(Cc1ccc(Br)cc1O)Nc1cccc(Cl)c1 170610183 IFFKHNFTFGAGLM-UHFFFAOYSA-N 340.604 3.989 0 50 EHAA CCC(CC)n1ncc(C(=O)Nc2ccc(OCOC)cc2)c1C 408515411 JQLWONGNTSRXSW-UHFFFAOYSA-N 331.416 3.788 0 50 EHAA C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cccc([C@@H]2CCOC2)c1 408513703 FZLMDTJKQVROMA-HNAYVOBHSA-N 337.419 3.582 0 50 EHAA Fc1ccc([C@@H]2CCN(C3CCN(Cc4ccco4)CC3)C2)cc1 1506397302 LCAPZJSFWNGQPT-QGZVFWFLSA-N 328.431 3.873 0 50 EHAA Cc1cccc(N2CCC(NCCCNc3cccnc3)CC2)c1C 1506405277 ALDLILFOQKKUDK-UHFFFAOYSA-N 338.499 3.759 0 50 EHAA COc1ccc(Br)cc1/C=C/C(=O)Nc1cccnc1 5738712 OVPKZPUKHXMYIX-QPJJXVBHSA-N 333.185 3.505 0 50 EHAA Cn1cc(CN2CCc3sccc3C2)c(-c2ccccc2F)n1 12443637 SGJSZCPFYGMNAM-UHFFFAOYSA-N 327.428 3.846 0 50 EHAA COc1cc(C)c(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1C 16527130 YKSSAOKJGJNGMN-UHFFFAOYSA-N 336.391 3.923 0 50 EHAA CCOc1cccc(-c2nc3c(C)nn([C@H](C)C4CC4)c3[nH]2)c1O 19939073 QFBJWGDPXFNDKZ-LLVKDONJSA-N 326.400 3.810 0 50 EHAA COc1ccc(CN(C(=O)CC[C@@H]2CCCO2)c2ccncc2)cc1 151198035 KZMQGKCMTBXSFK-IBGZPJMESA-N 340.423 3.583 0 50 EHAA CCCCN(CC(F)(F)F)C(=O)c1coc(-c2ccnc(C)c2)n1 448771136 NQTMJQIPGITJQR-UHFFFAOYSA-N 341.333 3.850 0 50 EHAA Cc1ccccc1CN1CCC(NC(=O)c2cccnc2C2CC2)CC1 390834104 RWYZGJFLLKNERR-UHFFFAOYSA-N 349.478 3.662 0 50 EHAA CCCCc1nc(Cn2cc([C@@H](O)c3ccccc3)cn2)cs1 902852086 JYGGEWAHRJQBER-SFHVURJKSA-N 327.453 3.812 0 50 EHAA COc1ccccc1C(C)(C)c1noc([C@@]23CCCC[C@@H]2NCC3)n1 904700166 MLWQJAVLICNPAF-OXJNMPFZSA-N 341.455 3.578 0 50 EHAA Cc1cccnc1[C@H](C)NC(=O)NCc1ccccc1Br 912389396 XVDKZQUOLZCLAM-LBPRGKRZSA-N 348.244 3.713 0 50 EHAA O=C(O)C[C@@H](NC(=O)N1CCCCC1)c1cccc2ccccc12 2325794450 CBUCKZIOGPJWCL-QGZVFWFLSA-N 326.396 3.551 0 50 EHAA Cc1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1 37597 WCZJGSAVJVMYBD-UHFFFAOYSA-N 338.176 3.914 0 50 EHAA O=C1OC(c2cccc(F)c2)=N/C1=C\c1cccc(Br)c1 176647 AUTNUTREZZSJKB-ZSOIEALJSA-N 346.155 3.933 0 50 EHAA COc1cc(CNc2cccc(F)c2)cc(Br)c1O 280363 GCQGWYITLNNDEE-UHFFFAOYSA-N 326.165 3.915 0 50 EHAA CC(=O)c1cc2c(cc1NC(=O)Nc1cccc(Cl)c1)OCCO2 1076258 KULJSSGIPCTNCG-UHFFFAOYSA-N 346.770 3.958 0 50 EHAA Cc1noc(C)c1COc1ccc(C(=O)NCc2ccccc2)cc1 3612272 FYCWNICYDVPNMB-UHFFFAOYSA-N 336.391 3.800 0 50 EHAA CCOC(=O)c1ccc(NC(=O)Oc2ccc(C(C)=O)cc2)cc1 4760451 UWBWKCGHRMMAPC-UHFFFAOYSA-N 327.336 3.677 0 50 EHAA CCCCNC(=O)c1ccccc1NC(=O)c1ccc(OCC)cc1 4834668 BOUFPPGGDYKMBC-UHFFFAOYSA-N 340.423 3.868 0 50 EHAA O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1ccccc1Cl 5049658 JHGWUUUTNSQNHJ-UHFFFAOYSA-N 343.814 3.789 0 50 EHAA NC(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 5636763 OYKABHUDVVRZQI-UHFFFAOYSA-N 330.387 3.634 0 50 EHAA CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 6215016 LIMAYGRJSJMAAV-NSHDSACASA-N 332.787 3.704 0 50 EHAA CCOc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 9230469 YJPRSADTDUCPRM-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA CCOc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 10469440 VKWGVRCJXALJSW-LJQANCHMSA-N 341.407 3.895 0 50 EHAA CC(C)CN1CCC[C@@H]1C(=O)Nc1ccc(-c2cscn2)cc1 12076227 JPHQYXPDXBWILV-QGZVFWFLSA-N 329.469 3.869 0 50 EHAA CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 12380874 MKRJMUJUFSFCOM-LLVKDONJSA-N 332.787 3.704 0 50 EHAA CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccccc1)C3 12653433 LRSVCMWUGDIRAJ-ZDUSSCGKSA-N 338.436 3.539 0 50 EHAA COc1ccc(F)cc1-c1nc2c([nH]1)c(C)nn2Cc1ccccc1 20295362 XHIXFWSEGXVXBV-UHFFFAOYSA-N 336.370 3.931 0 50 EHAA CCO[C@H]1Oc2ccc(C)cc2C(=O)/C1=C\Nc1ccccc1O 23115584 GOSLQEDDFZDXTC-VUVZNRFTSA-N 325.364 3.634 0 50 EHAA CCc1ccccc1OCCN(C)C(=O)c1ccc2ncccc2c1 55325121 PYVPPAURNUDVSF-UHFFFAOYSA-N 334.419 3.948 0 50 EHAA CCCN(Cc1ccccc1OC)C(=O)CCc1ccccc1O 55401017 CWVPWXSCKYIRMV-UHFFFAOYSA-N 327.424 3.772 0 50 EHAA COc1ccc2c(c1)c(C(=O)N(C)[C@H](C)c1nccs1)c(C)n2C 65397667 IMMXQGNQMXWHCR-GFCCVEGCSA-N 343.452 3.785 0 50 EHAA O[C@@H](CN1CCc2onc(-c3cccc(F)c3)c2C1)c1ccccc1 67675693 APMWNTFBIQGZAD-SFHVURJKSA-N 338.382 3.572 0 50 EHAA O=C(O)CCN1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 72157326 NKDZCSDOLVTWQY-CYBMUJFWSA-N 329.362 3.825 0 50 EHAA OC[C@@]1(CC2CC2)CCCN(Cc2cncn2C2CCCCC2)C1 91390724 DIKZIKNVXAATJE-HXUWFJFHSA-N 331.504 3.763 0 50 EHAA CCN(Cc1ccc(C)o1)C(=O)c1cc(-c2ccccc2F)n[nH]1 91551774 BCKNGJRRHTZYRU-UHFFFAOYSA-N 327.359 3.780 0 50 EHAA O=C1NCCC[C@@]12CCN(Cc1ccc(-c3ccccc3)s1)C2 91877018 WOJPOKFTFVTQQY-IBGZPJMESA-N 326.465 3.517 0 50 EHAA O=C1CC2(CCN(C3CCCC3)CC2)CN1Cc1ccc(F)c(F)c1 92038382 IVEHJWHDLRLBCM-UHFFFAOYSA-N 348.437 3.722 0 50 EHAA CCOC(=O)[C@H](c1ccccc1Br)N1CCCCC1 96026521 YEPHONYFZKLGLZ-AWEZNQCLSA-N 326.234 3.539 0 50 EHAA COc1ccc([C@@H](C)NCc2c[nH]nc2-c2ccc(C)o2)cc1F 124822758 PPAPVSDKZYQVKD-GFCCVEGCSA-N 329.375 3.977 0 50 EHAA CN(Cc1ccccc1OC(F)(F)F)[C@H]1CCCc2c1cnn2C 170591431 QKGRFSXRUWHSTK-AWEZNQCLSA-N 339.361 3.828 0 50 EHAA CC(C)n1ccc(C[S@@](=O)Cc2sccc2Br)n1 170629721 VOKIIXBZSFOHLG-GOSISDBHSA-N 347.303 3.737 0 50 EHAA O=C(CCc1ccc(Cl)cc1Cl)N1CCOc2ccncc21 174899760 CTNZDZUMLYCSAP-UHFFFAOYSA-N 337.206 3.747 0 50 EHAA CC(C)(NC(=O)Cc1n[nH]c2c1CCCC2)c1cccc(Cl)c1 188939572 FSWGHHXFYYKAJR-UHFFFAOYSA-N 331.847 3.536 0 50 EHAA Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccoc2Cl)o1 192316344 UXNRVZYXTFLFNN-CQSZACIVSA-N 343.770 3.564 0 50 EHAA CC(=O)c1ccc(Oc2ccc(I)cc2)nc1 212863557 VULLCYKUNCFVPH-UHFFFAOYSA-N 339.132 3.681 0 50 EHAA COCc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CC[C@@H](SC)C2)o1 221860961 FOSNIFOMNHKSKL-CFVMTHIKSA-N 338.473 3.557 0 50 EHAA O=C(N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1)C(F)F 225627374 IUVGQCCOVZYGER-LBPRGKRZSA-N 330.256 3.571 0 50 EHAA O=C(O)CC[C@H]1CCCCN1C(=O)CCc1ccc(Cl)s1 237982393 BVYLPXDBZWIORN-LLVKDONJSA-N 329.849 3.580 0 50 EHAA CS[C@H](C)CC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 245581629 HPANNYCHFSLKSH-PKPZWWHKSA-N 331.840 3.567 0 50 EHAA Cc1ncc(CN2CC[C@H](NC(=O)[C@H](C)C3CCCC3)[C@H](C)C2)s1 252477376 MRTTXROIICQFIL-LBTNJELSSA-N 349.544 3.604 0 50 EHAA COc1ccc(-c2ccccc2NC(=O)NCC2(C)COC2)cc1 299764705 CQVUNTQUYASJJY-UHFFFAOYSA-N 326.396 3.520 0 50 EHAA Cc1nc(COc2ccc(CN3CCc4cc(F)ccc43)cc2)no1 338964989 NVBVCSXKANTBGV-UHFFFAOYSA-N 339.370 3.659 0 50 EHAA O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccnc2ccncc12 356551677 JSTOCLFWJQNFPP-OAHLLOKOSA-N 345.324 3.706 0 50 EHAA CN(Cc1ccc(C2CCCCC2)s1)C1CCS(=O)(=O)CC1 823668465 SLBHLLWMTYCSRB-UHFFFAOYSA-N 341.542 3.805 0 50 EHAA CC(C)(C)n1cc(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)cn1 846011523 ZPYMTYFDCLEUJA-LJQANCHMSA-N 347.890 3.775 0 50 EHAA O=C(O)c1cc(CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cs1 846247139 VKCIZLQWWVDBAG-KRWDZBQOSA-N 349.427 3.531 0 50 EHAA CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1cc2nn[nH]c2cc1F 885234361 LATWNLQHKXBKTL-CYBMUJFWSA-N 338.386 3.505 0 50 EHAA CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)c2C1 888090645 MHQBSNSIBYCHSL-ZQDZILKHSA-N 327.472 3.503 0 50 EHAA Cn1ncc(-c2nc3ccccc3[nH]2)c1NCc1cnn(C(C)(C)C)c1 888095585 RZYQXXMCGASGJJ-UHFFFAOYSA-N 349.442 3.527 0 50 EHAA CC(C)c1cc(Cl)ccc1NC(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 902177051 HXNIIDNAFRBREY-WCQYABFASA-N 339.819 3.672 0 50 EHAA CO[C@H]1CCCN(Cc2ccc(-c3ccc(C(=O)O)cc3)o2)CC1 902415960 CLOYQXMMASIVGE-INIZCTEOSA-N 329.396 3.646 0 50 EHAA Cc1ncccc1CN1CCC(c2c[nH]c3ccc(C(=O)O)cc23)CC1 902567765 AWUYMCPROSIPPM-UHFFFAOYSA-N 349.434 3.949 0 50 EHAA Cc1nccn1-c1ccccc1CN[C@H]1CCN(c2ccccc2)C1 1506404736 RGDVFUOQIXXDPB-IBGZPJMESA-N 332.451 3.549 0 50 EHAA COCCn1cncc1CN1CCC(Sc2ccc(C)cc2)CC1 1506405574 JZNDHOGDMZVVTQ-UHFFFAOYSA-N 345.512 3.595 0 50 EHAA COc1ccc(OCCCN(C)[C@@H](C)Cc2ncccc2C)cc1 1506413090 GZSGYYIDCCDDMP-KRWDZBQOSA-N 328.456 3.731 0 50 EHAA Oc1nc2cc(Cl)ccc2cc1CN1CCC[C@]2(CCC[C@H]2O)C1 1704339612 SWVSCZSTMBQNAJ-IEBWSBKVSA-N 346.858 3.721 0 50 EHAA CC(C)c1ccc(-c2noc([C@@]34CNC[C@]3(C(F)(F)F)C4)n2)cc1 1875272463 AWDOZJJHNTUPDO-HZPDHXFCSA-N 337.345 3.653 0 50 EHAA CN(C)C/C=C/C(=O)N[C@@H](c1ccc(F)c(C(F)(F)F)c1)C1CC1 1875377205 VSFZVPZRQQJBJS-QDLOVBKTSA-N 344.352 3.530 0 50 EHAA C[C@H](NCc1cccc(C(=O)N2CCCC2)c1)c1cccc2[nH]ncc12 2325809757 IAJYSOCFSPQFHS-HNNXBMFYSA-N 348.450 3.650 0 50 EHAA CC(C)C1CCC([C@@](C)(O)CNCc2n[nH]c3ccccc23)CC1 2325842447 YXRKCJYWOUGFTF-PMTKGXAQSA-N 329.488 3.866 0 50 EHAA Clc1cccc(S[C@@H]2CCN(c3nccn4cncc34)C2)c1 2325854858 YNFORZZMDCABTE-CQSZACIVSA-N 330.844 3.754 0 50 EHAA CCn1c2ccccc2c2cc(CN3CC(CF)(OC)C3)ccc21 2325874529 PUJOCUCHYJQHHM-UHFFFAOYSA-N 326.415 3.985 0 50 EHAA COc1cc(Nc2cc(C)c(OC)c(C)c2)c(C(=O)O)cc1OC 2356158324 HVSZEOSMGIWQOM-UHFFFAOYSA-N 331.368 3.771 0 50 EHAA Cc1cccc(C(=O)N2N=C3CCCCC[C@@H]3[C@]2(O)C(F)(F)F)c1 79271 MXYFQCPBKRXFOP-BBRMVZONSA-N 340.345 3.638 0 50 EHAA COc1ccc2c(c1)CCc1c-2nc2ccccc2c1N1CCOCC1 88013 LKBYWBCEXWIRLK-UHFFFAOYSA-N 346.430 3.846 0 50 EHAA COc1ccc2oc(-c3ccccc3)c(C(=O)N3CCOCC3)c2c1 95523 QKTMFZFUTOCIJS-UHFFFAOYSA-N 337.375 3.581 0 50 EHAA biogenic Cc1ccnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 419494 DIFCLHSPVMAVMV-UHFFFAOYSA-N 327.331 3.535 0 50 EHAA O=C(CSCc1cccc(Br)c1)NC1CCCC1 1204355 HQTONSCPBHVEPW-UHFFFAOYSA-N 328.275 3.741 0 50 EHAA CC[C@@H](C)c1ccc([C@@H](CC)NS(=O)(=O)c2cnn(CC)c2)cc1 2804131 RUVSDNXXAQHGOL-RDTXWAMCSA-N 349.500 3.846 0 50 EHAA COc1cc(CNC[C@@H]2CCCO2)ccc1OCCc1ccccc1 5019562 VMQAAPIYIGRJCC-IBGZPJMESA-N 341.451 3.585 0 50 EHAA O=C(O)COc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1 5127658 HLGXHKQIONFUDZ-UHFFFAOYSA-N 346.722 3.702 0 50 EHAA CCCc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)OCC 9009761 JYZYGVPRZCICDF-UHFFFAOYSA-N 340.383 3.799 0 50 EHAA CCc1ccc([C@H]2C[C@@H](c3cccc(OC)c3)n3nc(N)nc3N2)cc1 13131305 IIALCKIGVJGAKS-MSOLQXFVSA-N 349.438 3.578 0 50 EHAA Nc1c([S@](=O)c2ccccc2)sc2nc3c(cc12)CCCC3 15659470 JNXPWAWPRAUYNM-QFIPXVFZSA-N 328.462 3.924 0 50 EHAA O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1C[C@H]1CCCO1 17071905 QFOXULJUQLOQQJ-GFCCVEGCSA-N 344.461 3.967 0 50 EHAA CN1CCCC[C@@H]1CNc1nncc(-c2cccc3ccccc23)n1 19595183 PKOOAACIVUSNQS-MRXNPFEDSA-N 333.439 3.588 0 50 EHAA CN(C)c1nc(-c2cccc(-c3cc[nH]n3)c2)cc(C(F)(F)F)n1 20210255 MVUOEKTZFSQEDO-UHFFFAOYSA-N 333.317 3.619 0 50 EHAA Cc1c(C(=O)O)sc2ncnc(NCCCc3ccccc3)c12 21715909 LCKSLUSOOCDHEG-UHFFFAOYSA-N 327.409 3.743 0 50 EHAA O=C(c1ccc(CSc2ncccn2)o1)N1Cc2ccccc2C1 55359596 XQTJBVGFOQWSHS-UHFFFAOYSA-N 337.404 3.518 0 50 EHAA CCOc1ccc([C@@H]2C[C@H](NC(C)=O)C[C@H](CC)O2)cc1Cl 65383177 BOPVSBUFJBMWLW-KEYYUXOJSA-N 325.836 3.874 0 50 EHAA CC(C)(C)c1cc(CN2CCc3[nH]cnc3[C@@H]2c2ccsc2)[nH]n1 67490822 SSKYNVOPVGHQIJ-KRWDZBQOSA-N 341.484 3.640 0 50 EHAA CCc1noc(CCNC(=O)c2ccc(-c3ccccc3Cl)o2)n1 91476003 PIFGNUKZSJPAIZ-UHFFFAOYSA-N 345.786 3.518 0 50 EHAA COCCC[C@@H]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1 91848957 MGICJPZIOLWIPK-ZDUSSCGKSA-N 343.826 3.523 0 50 EHAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 95357246 SUUXBWGGPOEWJF-CQSZACIVSA-N 347.409 3.981 0 50 EHAA CCOc1ncccc1CNC(=O)N1CCC[C@]2(CC=CCC2)C1 114517819 YXATWSSVDJHBIH-LJQANCHMSA-N 329.444 3.512 0 50 EHAA O=C(Nc1cnn(CC2CC2)c1)N1CC=C(c2cccs2)CC1 174452290 ITSXOTKYEDLJMW-UHFFFAOYSA-N 328.441 3.676 0 50 EHAA CC1(C)C[C@@H](NC(=O)Nc2ncc(Cc3ccccc3)s2)CCO1 179245213 BWPWKQCJAWWQQH-AWEZNQCLSA-N 345.468 3.813 0 50 EHAA Cc1cc(C)cc([C@H]2CCN(C(=O)Nc3cnn(CC(F)F)c3)C2)c1 183755000 SIFAYLBHAZZHQQ-AWEZNQCLSA-N 348.397 3.786 0 50 EHAA C[C@H](NC(=O)C[C@H]1C=CCCC1)c1ccc(NC(=O)NC2CC2)cc1 186746664 TYCGCNVFDGLJTK-GJZGRUSLSA-N 341.455 3.894 0 50 EHAA CCC[C@@H]1C[C@@H]1C(=O)N(Cc1cc(OC)c(OC)cc1OC)C(C)C 208827788 RPAFWTMCLFZCQY-ZBFHGGJFSA-N 349.471 3.886 0 50 EHAA COc1cccc(-c2[nH]ncc2C(=O)N2C[C@H]3CC(C)=CC[C@H]3C2)c1 214977691 LBTZSGQUBVKCAS-JKSUJKDBSA-N 337.423 3.514 0 50 EHAA Cc1csc([C@@H](C)N(C)Cc2cccc(Cn3cccn3)c2)n1 214978419 CRHPQJSQGNIVHE-OAHLLOKOSA-N 326.469 3.889 0 50 EHAA Cc1ncsc1CCCNC(=O)Cc1ccc(C(F)(F)F)cc1 220457984 XZTHTLVHALTBCY-UHFFFAOYSA-N 342.386 3.762 0 50 EHAA CCc1ccc(C(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)[nH]1 220472709 GWRIOXDTLVLEBZ-KRWDZBQOSA-N 326.440 3.910 0 50 EHAA O=C(NCCCc1cccnc1)C1(c2ccc(Cl)cc2)CCC1 221269822 DNNSXRASMQGCMV-UHFFFAOYSA-N 328.843 3.906 0 50 EHAA COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)[C@@H](N)c2ccccc2)cc1 221865849 BBEFYVLAPSZLPP-RYGJVYDSSA-N 338.451 3.695 0 50 EHAA CC(C)[C@@H](NC(=O)c1cccc(=O)[nH]1)c1cccc(C(F)(F)F)c1 225750514 OUIXDHRNITXHFT-OAHLLOKOSA-N 338.329 3.521 0 50 EHAA CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)c1ccc(C(F)(F)F)cc1 226767544 GPFNKBKJPQHOEF-CQSZACIVSA-N 333.306 3.530 0 50 EHAA CN(CCCNC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccccc2)C1 253393217 HSYBYCKEFDKHPQ-GOSISDBHSA-N 347.503 3.502 0 50 EHAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 253589967 BCVUFMYYVJXODV-OFKNDUPUSA-N 346.467 3.566 0 50 EHAA C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO 257346053 POBOSGNSIHOBLX-OJCIERFFSA-N 336.516 3.504 0 50 EHAA O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1C3=C([C@H]4CC[C@H]3C4)[C@H]2C12CC2 257358488 USXNIBNTAIGNMK-MWPHREDXSA-N 331.415 3.559 0 50 EHAA Cc1nn(C)c(Cl)c1CN1CCC(c2nc3ccccc3[nH]2)CC1 265105622 GEZYQIRXYFWWBB-UHFFFAOYSA-N 343.862 3.638 0 50 EHAA C[C@@H]1CN(C(=O)c2noc3c2CCCC3)c2cccc(Cl)c2O1 276490405 UNQOYBALKZVOTM-SNVBAGLBSA-N 332.787 3.635 0 50 EHAA CCN(CCOC)C(=O)Nc1cccc(-c2cccc(OC)c2)c1 299773493 CQXNSKSAJPCTLK-UHFFFAOYSA-N 328.412 3.862 0 50 EHAA Cc1nn(C)c(C)c1NC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 331802417 SWFUPXKGULCOSE-AWEZNQCLSA-N 346.406 3.600 0 50 EHAA Cc1cc(NC(=O)[C@@H]2CCC(C)(C)O2)n(-c2ccc(Cl)cc2)n1 426522137 JJIAMQBHTCDUDD-AWEZNQCLSA-N 333.819 3.730 0 50 EHAA CC(C)N(CC(F)(F)F)C(=O)c1ccc(-c2ccc(O)nc2)cc1 426526330 YSMXJJJQKJKOLG-UHFFFAOYSA-N 338.329 3.867 0 50 EHAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cncnc1C1CC1 454842135 XFELHCJYKVIOAD-UHFFFAOYSA-N 335.329 3.645 0 50 EHAA Cc1ccc(N2CCC(N3CCC[C@@H](c4ccncn4)C3)CC2)cc1 670450082 SMVYXGIJLHWNFZ-GOSISDBHSA-N 336.483 3.633 0 50 EHAA COc1cc(O)ncc1C(=O)N1CCCCC[C@@H]1c1cccc(C)c1 933111013 FYLVDZRFSSUTLF-QGZVFWFLSA-N 340.423 3.862 0 50 EHAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCc1cc(F)ccc1C)(C3)C2 952979721 ZKAOUPUJNHANFV-CGRMTHRGSA-N 345.458 3.862 0 50 EHAA CCC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1O 1209231435 SWLBPRQWLCVXOU-DGCLKSJQSA-N 331.865 3.683 0 50 EHAA C[C@H]1CCCC[C@@]1(C)NC(=O)Nc1ccnc(OCC(F)(F)F)n1 1466867896 PIIJBXUANCVCIP-IINYFYTJSA-N 346.353 3.508 0 50 EHAA Cc1c(C(=O)N(C)Cc2cc(-c3ccccc3)no2)nc2ccccn12 1857671207 AUXASBZREGRFEB-UHFFFAOYSA-N 346.390 3.570 0 50 EHAA N[C@@H](C(=O)NCC[C@@H]1CCC(F)(F)C1)c1ccc2ccccc2c1 1875304869 YBZBTZZRLRCMCD-SUMWQHHRSA-N 332.394 3.781 0 50 EHAA O=C(NCCC12CC(CO1)C2)c1cc(-c2ccco2)nc2ccccc12 1875313695 WZNYJXCACLOHTI-UHFFFAOYSA-N 348.402 3.794 0 50 EHAA Cc1nc(C(=O)Nc2nc([C@@H](C)Oc3ccccc3)cs2)co1 1940195731 ISNJZQAYBWAXKV-SNVBAGLBSA-N 329.381 3.832 0 50 EHAA CCC[C@@H](CC1CCCC1)C(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2 2325769154 MUHQJDXPQXJNHO-USXIJHARSA-N 346.437 3.641 0 50 EHAA Cc1cnsc1CN1CCC([C@H](CC(=O)O)c2ccccc2)CC1 2325789459 RGTVSPZUGATFHG-QGZVFWFLSA-N 344.480 3.922 0 50 EHAA Cc1nn2c(C(F)(F)F)ccnc2c1-c1ccc(CN(C)C)cc1 2325813758 MKCLJJQMVZXOJY-UHFFFAOYSA-N 334.345 3.785 0 50 EHAA FC(F)(F)C[C@@H]1CCCN(C2=NCCN2Cc2ccccc2)C1 2325841232 KCYFUEKRFSBWTI-HNNXBMFYSA-N 325.378 3.523 0 50 EHAA CC1(C)CNCC[C@@H](NC(=O)NCc2ccc(Cl)cc2Cl)C1 2325842944 NMFHIOFLRQXTBD-CYBMUJFWSA-N 344.286 3.571 0 50 EHAA Cc1ccc2sc(COC(=O)c3cc(-c4ccco4)[nH]n3)nc2c1 2325862682 CVSKCVIPQOREIH-UHFFFAOYSA-N 339.376 3.945 0 50 EHAA O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 87333 CBDOXFZXXXPIMG-UHFFFAOYSA-N 328.843 3.734 0 50 EHAA COc1ccc2c(C)cc(SCC(=O)NCc3ccco3)nc2c1 126613 RSIOANXAIAFOGI-UHFFFAOYSA-N 342.420 3.553 0 50 EHAA Cc1cc(OCC(=O)NC2CCCCC2)cc(C)c1Br 311735 DZLQZMORKGYYLW-UHFFFAOYSA-N 340.261 3.894 0 50 EHAA CCOc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 474526 YHPSSNIZEMLYQF-UHFFFAOYSA-N 344.842 3.701 0 50 EHAA O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(F)cc1F 555042 TZLREMCKUBLZBP-UHFFFAOYSA-N 338.313 3.717 0 50 EHAA Cc1nc(NC(=O)c2ccc(Cl)cc2)nc2cc3c(cc12)OCO3 2327565 SSMDPFIXUPMLQC-UHFFFAOYSA-N 341.754 3.573 0 50 EHAA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2cccc(C)c2)cc1 3623652 ALORHDQVCRIEBJ-SFHVURJKSA-N 341.407 3.730 0 50 EHAA CCCCN1CC[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 3894363 ZHBVPXBHHSJIMN-UNMCSNQZSA-N 337.463 3.879 0 50 EHAA O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccc(O)cc2)on1 3907745 VEYIVMJBZFDZPQ-UHFFFAOYSA-N 328.755 3.631 0 50 EHAA O=c1[nH]c(SCc2ccc(Br)cc2)nc2ccccc12 4997562 LHDKRIYMRWMXSQ-UHFFFAOYSA-N 347.237 3.978 0 50 EHAA COc1ccc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)n2)cc1 5388998 NRNCEBDKTCZKRN-UHFFFAOYSA-N 326.783 3.621 0 50 EHAA Nc1c(C(=O)Nc2ccccc2Br)sc2ncccc12 10010809 NOGFBVJKMJYLKM-UHFFFAOYSA-N 348.225 3.893 0 50 EHAA Cc1ccc(CN2CCC(CN(C)Cc3cccc(O)c3)CC2)o1 12076405 PWBAJAGIRSBSJO-UHFFFAOYSA-N 328.456 3.638 0 50 EHAA Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)OC3)c1 13671034 PGQHGUYJPBJSLP-UHFFFAOYSA-N 345.464 3.956 0 50 EHAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)CC1CC1)O2 14879970 LDSAUVBEZHCNDI-SFHVURJKSA-N 349.430 3.776 0 50 EHAA Nc1c([S@@](=O)c2ccccc2)sc2nc3c(cc12)CCCC3 15659468 JNXPWAWPRAUYNM-JOCHJYFZSA-N 328.462 3.924 0 50 EHAA Cc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 15857455 JOKIKPOLGJGMQF-YBEGLDIGSA-N 326.783 3.741 0 50 EHAA COc1ccc(CCN2COc3ccc(Cl)cc3C2)cc1OC 19626773 QUNOXNIEISAUIH-UHFFFAOYSA-N 333.815 3.752 0 50 EHAA CCCc1cnc(-c2cccc(-c3ccn(C[C@H](O)CC)n3)c2)nc1 20774420 LSQVODBBWBIHAW-GOSISDBHSA-N 336.439 3.731 0 50 EHAA CC(=O)N[C@@H](C)C1=CCCN(Cc2cccc(F)c2C(F)(F)F)C1 65375664 JRZPHAMSELGHIA-NSHDSACASA-N 344.352 3.501 0 50 EHAA CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccc(F)cc1Cl)C2 71315660 VSLUTWAPAKDPII-UHFFFAOYSA-N 333.794 3.723 0 50 EHAA O=C1CC[C@@]2(CCCO2)CCN1Cc1cccc(F)c1C(F)(F)F 72127184 WRSPVDJADXPJQR-INIZCTEOSA-N 345.336 3.906 0 50 EHAA COc1ccc(-c2ccc(C(=O)N3CC(c4cccnc4)C3)o2)cc1 72142203 IQPWIGYVSWQOIF-UHFFFAOYSA-N 334.375 3.590 0 50 EHAA CC(=O)NCC[C@@H]1CCCCN1Cc1ccc(F)c(C(F)(F)F)c1 72146438 YIYYGZCSNMHTRV-AWEZNQCLSA-N 346.368 3.725 0 50 EHAA Cc1cccc(OC[C@@H]2CCCN(C(=O)c3n[nH]c4ccccc34)C2)c1 72478606 OLNGOBCUQZSANC-MRXNPFEDSA-N 349.434 3.803 0 50 EHAA CNc1nc(C(=O)N2CCC(Sc3cccc(C)c3)CC2)cs1 77471612 BGHKZQFIZGBZLK-UHFFFAOYSA-N 347.509 3.890 0 50 EHAA O=C(c1ccc2cc[nH]c2c1)N1CCC(c2nccn2CC2CC2)CC1 82135038 BZCQASRXNBIZIP-UHFFFAOYSA-N 348.450 3.794 0 50 EHAA CCCCc1nc(CN2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3)c[nH]1 91381557 JPIYOMNVOZKDJS-PKOBYXMFSA-N 330.520 3.615 0 50 EHAA CC[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1C)c1cnn(C)c1 97551493 SXZHJQJGEUSIFX-CYBMUJFWSA-N 338.358 3.603 0 50 EHAA CCc1cccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1 100469384 NAWJPHYTCPFWLB-INIZCTEOSA-N 328.799 3.646 0 50 EHAA CCn1c(=O)c(C(=O)Nc2c(C)cccc2C)c(O)c2ccccc21 100602452 IXSWAGDXYSVPSM-UHFFFAOYSA-N 336.391 3.596 0 50 EHAA Cc1cc(C)c(-c2nc3c([nH]2)c(C2CC2)nn3C)c(-n2cccn2)c1 102460413 GBKREMAPKCGWLK-UHFFFAOYSA-N 332.411 3.643 0 50 EHAA O=C1Cc2cc(NC(=O)c3ccccc3OC3CCCC3)ccc2N1 113905008 FQBYSMPHKHAZHR-UHFFFAOYSA-N 336.391 3.755 0 50 EHAA O=C(c1ccc2cc[nH]c2c1)N1CCCN(CC2CCCCC2)CC1 131649551 OMBZCBLTYQDFAV-UHFFFAOYSA-N 339.483 3.896 0 50 EHAA O=C(Nc1ccc(Br)c(C(=O)O)c1)c1ccc(F)cc1 132331570 KNHOHQHYMKETML-UHFFFAOYSA-N 338.132 3.539 0 50 EHAA CC(C)(C)OC(=O)N1CCC2(CCNc3c(F)cccc3O2)CC1 144093062 MTPHDWOQRBEDOX-UHFFFAOYSA-N 336.407 3.790 0 50 EHAA CCc1nnc([C@H](C)Sc2nc(=O)c(C)c(-c3ccccc3)[nH]2)o1 163913092 OXYAAYRXWLIZJJ-NSHDSACASA-N 342.424 3.544 0 50 EHAA O=C(NCc1cn2ccsc2n1)N[C@H]1CCCCc2ccccc21 170616186 SRVBZFQDWQMDSX-INIZCTEOSA-N 340.452 3.663 0 50 EHAA CC[C@@H](Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)C(=O)OC 192838240 BHUVWUVZOOOYBG-GFCCVEGCSA-N 336.775 3.549 0 50 EHAA Cc1cc(-c2csc(NC(=O)c3c(C)nn(C)c3C)n2)c(C)o1 194254599 DPKOGIMHYOPRDM-UHFFFAOYSA-N 330.413 3.623 0 50 EHAA Cc1nc(C)c(CC(=O)N2CCC3(C=Cc4ccccc43)CC2)s1 215300179 IALWXSKEGWBMEH-UHFFFAOYSA-N 338.476 3.890 0 50 EHAA O=C(Cc1ccc(Cl)cc1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 219812791 VYANTCBBVJFABD-AITUJVMLSA-N 333.859 3.592 0 50 EHAA CC[C@@H](NC(=O)CCC(=O)NC1CCCCCCC1)c1ccncc1 222659789 PBASCRSPNMQKKQ-GOSISDBHSA-N 345.487 3.658 0 50 EHAA COCc1c(Cl)cccc1NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12 230157079 NNYHVYKCXJLDOA-SGIREYDYSA-N 338.835 3.566 0 50 EHAA COCCNc1nnc(SCCSCc2ccccc2)s1 241515659 OGTSXHSXIBGNLH-UHFFFAOYSA-N 341.527 3.622 0 50 EHAA COc1cccc([C@H](N[C@H](C)c2nccnc2C)c2ccccn2)c1 242302321 YRKWUEYPRHLTBV-QRWLVFNGSA-N 334.423 3.629 0 50 EHAA COc1ccc2[nH]cc(CC(=O)Nc3cc(CCC(C)C)n[nH]3)c2c1 252497343 QEHWAOJHAFWIFZ-UHFFFAOYSA-N 340.427 3.669 0 50 EHAA COc1cc(CN2CCC(C(=O)Nc3ccccc3)CC2)ccc1C 252510709 ZOTCZPBRZXBGAC-UHFFFAOYSA-N 338.451 3.854 0 50 EHAA CC(C)C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)n1cccc1 253410837 NUYNXGXOWFHYSR-MRXNPFEDSA-N 328.412 3.875 0 50 EHAA COc1ccccc1Oc1ccccc1NC(=O)NC[C@@H]1CCOC1 299756172 IWEGTEIMWDAHJC-AWEZNQCLSA-N 342.395 3.646 0 50 EHAA Cc1csc(CCCNC(=O)Cc2cccc(C(F)(F)F)c2)n1 299795457 MQJBXMJRPJFRFM-UHFFFAOYSA-N 342.386 3.762 0 50 EHAA O=C(c1ccnc(O)c1)N1CCC[C@H]1C[C@@H]1CCCc2ccccc21 328588980 VXQZPCPJBBXROW-WMZOPIPTSA-N 336.435 3.902 0 50 EHAA Cc1cnc(NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)s1 338627756 XITUAEIZMFLSFX-UHFFFAOYSA-N 345.405 3.556 0 50 EHAA Cc1ccc(CC(=O)N2CC(c3nc4ccccc4s3)C2)s1 340939214 RYQDGMPOUUTLAB-UHFFFAOYSA-N 328.462 3.835 0 50 EHAA CC(C)(CC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1)C(=O)O 368009920 YGSAFZLCVXESMR-GFCCVEGCSA-N 343.345 3.522 0 50 EHAA C[C@@](O)(CNCc1cnn(C2CCCC2)c1-c1ccccc1)C1CC1 421363437 LJPRAOGEJDBWAJ-OAQYLSRUSA-N 339.483 3.916 0 50 EHAA c1ccc2c(c1)CC1(CCOCC1)[C@H]2NCc1ccc2c(n1)CCC2 656626205 XTNXRHIKDWSZNI-NRFANRHFSA-N 334.463 3.754 0 50 EHAA CCOC(=O)c1ccc(OC(F)(F)C(F)(F)Br)cc1 725331290 JQNARXIKXOPBPX-UHFFFAOYSA-N 345.086 3.823 0 50 EHAA C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1cnc(O)c2ccccc12 924808505 CNPNGVQRCBRKLT-QWQRMKEZSA-N 339.439 3.803 0 50 EHAA C[C@H](N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cc(O)cc(F)c1 925647401 YOEDBLTXEAAGQB-MGPLVRAMSA-N 343.320 3.934 0 50 EHAA Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccnn1C1CCC1)CCC2 934706303 HZXQOXHXKKMEIL-AWEZNQCLSA-N 345.472 3.914 0 50 EHAA c1cc(-c2ccc3c(c2)CCC2(CCNCC2)O3)cc(-n2cccn2)c1 2325857825 QRIZOEOGWALNFX-UHFFFAOYSA-N 345.446 3.987 0 50 EHAA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)CC3CCCCC3)C1)CC2 2356138917 SDJIBZDOBAYYGW-HXUWFJFHSA-N 327.472 3.562 0 50 EHAA COC(=O)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 112180 CVQFFJIKSKXOOF-UHFFFAOYSA-N 326.304 3.614 0 50 EHAA biogenic CCc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(C)cc2)C1=O 121653 AYJUCVVHTBHMMP-UHFFFAOYSA-N 340.810 3.993 0 50 EHAA CCNC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2 311481 XCNXZYSBAMSDBM-MDZDMXLPSA-N 344.436 3.622 0 50 EHAA COc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1OC 381887 YAUMFEPSZYQQAX-UHFFFAOYSA-N 327.714 3.888 0 50 EHAA O=C(c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12)C1CC1 573710 LJXHMBPXLAVQDD-UHFFFAOYSA-N 344.414 3.823 0 50 EHAA CNC(=S)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(OC)cc1 620537 XIJKEYVMOYKQGK-SFHVURJKSA-N 339.464 3.659 0 50 EHAA Cc1cc(NC(=O)CSc2nc(-c3ccccc3)cs2)no1 1018857 RFBNEBXMXXHQNJ-UHFFFAOYSA-N 331.422 3.837 0 50 EHAA CCC[C@H](C)c1nnc(NC(=O)c2ccc(OC(C)=O)cc2)s1 1049191 XASPMZAZPYVDTH-JTQLQIEISA-N 333.413 3.619 0 50 EHAA COc1ccc(-c2nn(-c3ccc(F)c(Cl)c3)cc2CO)cc1 2544973 SDMAORRINMSYNZ-UHFFFAOYSA-N 332.762 3.833 0 50 EHAA COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3cccc(F)c3)[C@@H]1CC2 4006072 CPUDBCXBEMUHQO-XLIONFOSSA-N 338.382 3.704 0 50 EHAA O=C(NCCC1=CCCCC1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 4035291 XMPXOPDQCMVCGI-QGZVFWFLSA-N 332.488 3.564 0 50 EHAA Cc1cc2c(SCC(=O)Nc3cccc(F)c3)ncnc2s1 4488361 HGNCPYDSCQPKSV-UHFFFAOYSA-N 333.413 3.870 0 50 EHAA CNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 6703203 IAHBXAQLRIVBSD-UHFFFAOYSA-N 336.229 3.756 0 50 EHAA CC(C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 9230454 VVYXSXIAEJUPJR-AWEZNQCLSA-N 326.396 3.687 0 50 EHAA O=C(O)c1cc(-c2ccc3ncccc3c2C(=O)O)nc2ccccc12 12358646 QEBVARJFIIWYNV-UHFFFAOYSA-N 344.326 3.846 0 50 EHAA CCOC(=O)C1(CC2CC2)CCN(Cc2ccc(F)c(OC)c2)CC1 12588641 LNDOQPNFJQXXBO-UHFFFAOYSA-N 349.446 3.780 0 50 EHAA C[C@@H]1CN(CCOc2ccc(Br)cc2Cl)C[C@@H](C)O1 20166938 BONSDELIHFKTAA-GHMZBOCLSA-N 348.668 3.591 0 50 EHAA O=C(Nc1cccc(F)c1)[C@@H]1CCCN1C(=O)c1ccccc1Cl 20402402 AFRMMJKHTWGOTH-INIZCTEOSA-N 346.789 3.722 0 50 EHAA CSc1ccc(CNC[C@@]2(c3cccc(F)c3)CCOC2)cc1 20906493 GTQTZFAFQKGDCM-IBGZPJMESA-N 331.456 3.996 0 50 EHAA Cc1ccc(Cl)cc1NC(=O)c1cn2c3c(cccc3c1=O)CC2 33088748 GCGZXCFXVQHVGN-UHFFFAOYSA-N 338.794 3.772 0 50 EHAA COc1cccc([C@@H]2CCCN2c2nccc(-c3cn(C)nc3C)n2)c1 48482646 CYWJJBRHHDQITD-IBGZPJMESA-N 349.438 3.536 0 50 EHAA CCc1c(C)nn(C)c1NC(=O)c1ccc(CN(CC)C(C)C)cc1 65398271 DDATWBMBZBXOBW-UHFFFAOYSA-N 342.487 3.774 0 50 EHAA CCc1nc(C)c(-c2c(-c3ccccc3)ncn2CCn2ccnc2)[nH]1 67649407 NGYJGZYHRMWUKN-UHFFFAOYSA-N 346.438 3.708 0 50 EHAA Cc1oc(-c2ccccc2Cl)nc1COc1ccccc1C(N)=O 67770522 KKVFEQAIJQWUJK-UHFFFAOYSA-N 342.782 3.981 0 50 EHAA CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1 67804310 QJGGRZKDXAGBIH-INIZCTEOSA-N 339.483 3.609 0 50 EHAA Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[C@H](N)C1 67965487 VBDRXWJOFXZGOR-KRWDZBQOSA-N 349.434 3.975 0 50 EHAA Cc1ccsc1-c1nccn1CCc1nc(-c2ccccn2)no1 72153883 AQVFFEZLPZYWOT-UHFFFAOYSA-N 337.408 3.608 0 50 EHAA CC(C)c1cc(N(C)Cc2cc(-c3cccnc3)no2)n2nccc2n1 72165465 DLWWAFVHVPRIMB-UHFFFAOYSA-N 348.410 3.539 0 50 EHAA O=C1CCc2c(OCc3nc(CCc4ccccc4)no3)cccc21 72169884 YMJCZVAWDIYRML-UHFFFAOYSA-N 334.375 3.563 0 50 EHAA CC(C)(C)c1cc(CN2CCCN(Cc3cccc(F)c3)CC2)n[nH]1 72477451 HZNWCYPVPRLECV-UHFFFAOYSA-N 344.478 3.554 0 50 EHAA O=C(c1ccc2nonc2c1)N1CCC(CCc2ccccc2)CC1 91475933 FJGZCQNOBOJQRG-UHFFFAOYSA-N 335.407 3.708 0 50 EHAA CCN1C[C@@H](c2ccccc2)CC2(CCN(c3ncccn3)CC2)C1 92028541 DVYJDMDTZSQOGP-IBGZPJMESA-N 336.483 3.573 0 50 EHAA Cc1ccc2nc(C)c(C)c(C(=O)NC[C@H](C)Oc3cccnc3)c2c1 95516697 CGEJYKJBGHRCSK-AWEZNQCLSA-N 349.434 3.752 0 50 EHAA CCCC[C@@H]1C=CCN1C(=O)Nc1ccc2c(c1)oc(=O)n2CC 97324009 ABPHFPWBVUQHPD-CQSZACIVSA-N 329.400 3.577 0 50 EHAA Cc1cccc(C)c1NCC(=O)Nc1ccc2c(c1)CCCC(=O)N2 173518170 VXYGSVRXVBVBKQ-UHFFFAOYSA-N 337.423 3.629 0 50 EHAA c1ccc([C@@H](Nc2ccc(N3CCOCC3)cn2)c2ccccn2)cc1 181072045 KZQJSCPNGFXHDK-OAQYLSRUSA-N 346.434 3.515 0 50 EHAA CC(C)c1nc(C2(NC[C@@H](O)CCc3ccccc3)CCCC2)no1 182423138 QQWXEJPKDLFAFV-KRWDZBQOSA-N 343.471 3.546 0 50 EHAA CCC(CC)n1nc(C(=O)N2CCn3c2nc2ccccc23)cc1C 183020124 DNGXTNZFKKKPHY-UHFFFAOYSA-N 337.427 3.563 0 50 EHAA C[C@@H](CNC(=O)N[C@@H]1CC(C)(C)c2ccccc21)c1nccs1 184269347 KSDMUONUEKLXJJ-SWLSCSKDSA-N 329.469 3.968 0 50 EHAA COc1cc(N[C@H]2CCc3c(cccc3OC)C2)ccc1NC(C)=O 192447035 OZSJHEDVISNXBF-HNNXBMFYSA-N 340.423 3.632 0 50 EHAA C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 225407930 FABAOIIQCZQSLO-YYIAUSFCSA-N 336.520 3.745 0 50 EHAA Cc1sc(C(=O)N2CC[C@@H](N)C[C@H]2C)cc1-c1ccc(F)cc1 237414521 ADMVBPVUYGGBOK-IAQYHMDHSA-N 332.444 3.814 0 50 EHAA O=C([C@@H]1C[C@H]1C1CC1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 246615456 XGTBZMJFGFBGBK-GVDBMIGSSA-N 337.423 3.836 0 50 EHAA O=C(C[C@@H]1C[C@H]1c1ccccc1)N(C[C@@H]1CCCO1)c1ccncc1 252486115 HHJRVBYWHSYYFN-IHPCNDPISA-N 336.435 3.787 0 50 EHAA CC(=O)Nc1ccc(C)c(N[C@H](C)CC(=O)Nc2cccc(F)c2)c1 253427177 JCXFWVSRAXOMON-CYBMUJFWSA-N 343.402 3.922 0 50 EHAA O=C(O)c1ccc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)cn1 262688694 BQCIVNAVADMLRF-INIZCTEOSA-N 344.798 3.801 0 50 EHAA Cc1cscc1C(=O)N(Cc1ccsc1)[C@H]1CC12CCNCC2 275686229 MOZPTYXUYKRSCC-INIZCTEOSA-N 346.521 3.903 0 50 EHAA C[C@@H](N)[C@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 299739336 NKPMBJMUZMGJPS-YPMHNXCESA-N 329.271 3.512 0 50 EHAA Cc1cc(S(=O)(=O)Nc2nn(-c3ccccc3)cc2C)c(C)s1 299743601 LOAZEIHQMTVIGM-UHFFFAOYSA-N 347.465 3.660 0 50 EHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Nc2cnns2)ccc1F 299777653 QRXSTRVIWGKZNL-BTTYYORXSA-N 346.431 3.928 0 50 EHAA CC(C)[C@H](NC(=O)Nc1ccccc1-c1ccccc1)C(=O)N(C)C 299792225 DLQGBULYJGNUDT-SFHVURJKSA-N 339.439 3.588 0 50 EHAA CCO[C@@H](C)c1ncc(C(=O)N2CCCc3cccc(O)c32)s1 332024199 HYSGSSMPTPUWJK-NSHDSACASA-N 332.425 3.539 0 50 EHAA CC[C@H](CN(C)C)NC(=O)c1cccc(-c2cccc(C(C)=O)c2)c1 426503627 WGODFZHQXJYJOC-HXUWFJFHSA-N 338.451 3.626 0 50 EHAA Cn1c(C(=O)N[C@@H]2COC3(CCCCC3)C2)cc2cc(F)ccc21 426705882 UPWILIDCTXTAQC-HNNXBMFYSA-N 330.403 3.539 0 50 EHAA CC(C)C[C@@H](NC(=O)c1cccc(-c2cn[nH]c2)c1)c1cccnc1 670449186 AGUXKGAVYDHOBF-LJQANCHMSA-N 334.423 3.989 0 50 EHAA C[C@@H](C(=O)NC(C)(C)C(=O)Nc1ccccc1)c1c(F)cccc1F 677888649 QDCADBPBGSNQQB-GFCCVEGCSA-N 346.377 3.602 0 50 EHAA Cn1cc(NC(=O)N2CCC[C@]2(C)Cc2cccs2)c(C2CC2)n1 931507293 RHOICJLSQHZPEU-GOSISDBHSA-N 344.484 3.988 0 50 EHAA CCON(Cc1ccccc1)C(=O)Cc1cccc(C(F)(F)F)n1 1451002564 KJZHBVMEUQNILN-UHFFFAOYSA-N 338.329 3.623 0 50 EHAA Cc1sc2nc(CCNc3nc4ccccc4o3)nc(O)c2c1C 1506429864 VVOCGUJUZJXYNZ-UHFFFAOYSA-N 340.408 3.810 0 50 EHAA O=C1C[C@H](C(=O)Nc2nc3c(F)cccc3s2)C2(CCCCC2)O1 1529187253 QNKPRYRFFRXBHB-SNVBAGLBSA-N 348.399 3.640 0 50 EHAA Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3cnco3)n2)cc1 1775975603 DKKSFIOENUWRLD-UHFFFAOYSA-N 346.346 3.952 0 50 EHAA Cc1c[nH]c2ccc(NC(=O)C3(C(F)(F)F)CCOCC3)cc12 1775984774 VHUMBFVTNJXDRP-UHFFFAOYSA-N 326.318 3.774 0 50 EHAA Cn1ccnc1CCn1ccnc1-c1ccc(CC(F)(F)F)cc1 1857673313 SMVDHBJRFONXDG-UHFFFAOYSA-N 334.345 3.631 0 50 EHAA O=C(CSc1nc2ccccc2s1)Nc1cccn2nccc12 1875328913 RYXQKGUMLTYLTC-UHFFFAOYSA-N 340.433 3.675 0 50 EHAA CSc1ncccc1NC(=O)c1c[nH]nc1-c1cccc(F)c1 2100482205 GIZHDYMGPTXPJF-UHFFFAOYSA-N 328.372 3.585 0 50 EHAA Cc1nc(C2CCN(c3cc(-c4cccs4)ncn3)CC2)[nH]c1C 2325764593 PEGAVKTZQXZLMG-UHFFFAOYSA-N 339.468 3.929 0 50 EHAA C[C@H](NCc1ccn2nccc2c1)c1ccc(N2CCCCC2=O)cc1 2325801361 DMAFCRHOKAUSKT-INIZCTEOSA-N 348.450 3.702 0 50 EHAA Cc1nc(C(C)C)sc1C(=O)N1C[C@H](C(C)(C)C)C[C@H](CN)C1 2325868959 SAAISGLSOGGPJY-ZIAGYGMSSA-N 337.533 3.658 0 50 EHAA CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(C)cc2Cl)c1 359685 OKEVAIMMJGWKNB-UHFFFAOYSA-N 346.839 3.978 0 50 EHAA Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1C 382069 UNNKBJKZXDHTOJ-AWEZNQCLSA-N 342.826 3.948 0 50 EHAA Cc1ccc(S[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 555046 KGMXPZLUFVPRMG-QGZVFWFLSA-N 340.492 3.824 0 50 EHAA CCOc1cc(C)c(S(=O)(=O)NC2CCCCCC2)cc1C 618601 AOKWDJOXTXESBT-UHFFFAOYSA-N 325.474 3.703 0 50 EHAA CCCc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)cs1 1054537 CYELIUUDYYVMKU-UHFFFAOYSA-N 333.453 3.690 0 50 EHAA COC(=O)CN1C(C)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 2689651 IUHVMLFHPCILSJ-GOSISDBHSA-N 328.799 3.968 0 50 EHAA Cc1cc(OCn2ccc(C(=O)Nc3nccs3)n2)ccc1Cl 2795409 ONRLUDLNOFVAEW-UHFFFAOYSA-N 348.815 3.590 0 50 EHAA Cc1cc(F)ccc1NC(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C 2795668 NEUFNTLMEAGHRE-SNVBAGLBSA-N 343.324 3.933 0 50 EHAA O=c1/c(=C\c2ccc(Cl)cc2Cl)sc2nc3ccccc3n12 5297432 VVFZQPPWRYCMBO-VGOFMYFVSA-N 347.226 3.764 0 50 EHAA Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)nc2n1 5321601 CMTZXCREJMUZHB-UHFFFAOYSA-N 327.697 3.849 0 50 EHAA Fc1ccccc1OCCCCN1CCN(Cc2ccccc2)CC1 20500131 LPAWNKDCAARRQB-UHFFFAOYSA-N 342.458 3.803 0 50 EHAA O=c1c2cccc(F)c2ncn1CC[C@@H]1CCCCN1C1CCCC1 32513835 RHMLHBVNXMESAC-INIZCTEOSA-N 343.446 3.723 0 50 EHAA CC(=O)OCc1c(C)cc(C)c(CN(C)[C@@H](C)c2ccon2)c1C 55119566 AYBOXBVCUYOXOG-HNNXBMFYSA-N 330.428 3.856 0 50 EHAA Cc1cccnc1N1CCN(Cc2ccc([C@H]3CCCO3)s2)CC1 72166039 XMEFHKJUVJOSLH-QGZVFWFLSA-N 343.496 3.625 0 50 EHAA CN1CC[C@H]2CN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@H]21 77459667 PKVPOBYTIROPNL-TVQRCGJNSA-N 347.768 3.527 0 50 EHAA c1ccc2[nH]c([C@H]3CCCN(Cc4ccc5nsnc5c4)C3)nc2c1 77470864 HXRAOTITVORYNV-AWEZNQCLSA-N 349.463 3.947 0 50 EHAA CCOc1ccc(NC(=O)N2CCC[C@H](OC)C2)cc1C(F)(F)F 95500219 VLNWMLLXWJVBSO-LBPRGKRZSA-N 346.349 3.747 0 50 EHAA O=C(NC1(c2cc(F)ccc2F)CC1)c1ccc(-c2cc[nH]n2)cc1 96159782 FDYOTKNFLYXWDD-UHFFFAOYSA-N 339.345 3.774 0 50 EHAA C[C@@H](C(=O)Nc1ccc(Sc2nncn2C)cc1)c1cccs1 155520480 OPBPNLCXRSJDOU-LLVKDONJSA-N 344.465 3.770 0 50 EHAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1C 170626868 JBALXSLGYZFLAH-HXUWFJFHSA-N 344.455 3.771 0 50 EHAA Cc1cnc(CCNC(=O)N2CCC[C@H]2c2cccc(F)c2)s1 173613547 CUBSHFYXROERHR-HNNXBMFYSA-N 333.432 3.680 0 50 EHAA COc1ccc(NC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 179120542 BBXVWUBPMUSXII-DNVCBOLYSA-N 340.423 3.985 0 50 EHAA CNC(=O)c1ccc(CN(C)Cc2c(OC)ccc3ccccc23)cc1 179756982 UBCUCLYSMIEDND-UHFFFAOYSA-N 348.446 3.840 0 50 EHAA Cc1cc(-c2csc([C@@H](NC(=O)c3ccccc3)C3CC3)n2)on1 185929655 QUNWMVDSUVHQAN-INIZCTEOSA-N 339.420 3.988 0 50 EHAA COc1cnccc1[C@H](C)NC(=O)N(Cc1ccco1)C1CCCC1 187505038 XKTWTWDIBNWYBB-AWEZNQCLSA-N 343.427 3.899 0 50 EHAA O=C(CN1CCCC1=O)Nc1ccc(Cl)cc1-c1ccccc1 189605646 ZLAMUXAZVKOMRQ-UHFFFAOYSA-N 328.799 3.568 0 50 EHAA Cc1cc(C)n(CCCN(C)Cc2ccc([C@H]3CCCO3)s2)n1 215512702 RVWHZKOZQTYNDK-QGZVFWFLSA-N 333.501 3.935 0 50 EHAA CCO[C@H](C)c1nc(Cc2nc(-c3nc(C)cs3)no2)cs1 225594252 MFBKFNKYIXTTJS-SECBINFHSA-N 336.442 3.646 0 50 EHAA Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3ccc(C)s3)C2)c1 229445173 WKCLDLFWQQCOBB-PMPSAXMXSA-N 329.469 3.529 0 50 EHAA CO[C@]1(C)CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 239760925 CIKSFDORCYUJAE-MRXNPFEDSA-N 329.362 3.666 0 50 EHAA O=C(NCc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CC[C@@H](O)CC1 244764125 PBUCXMVVXMJDDW-JNSHFYNHSA-N 333.815 3.767 0 50 EHAA Cc1cccc(-c2[nH]ncc2CN(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 252513855 AIXVKPVRVHMNFH-QXAKKESOSA-N 325.456 3.630 0 50 EHAA O=C(O)Cc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 261947140 VUOLVKRUFDJAQT-OLZOCXBDSA-N 329.318 3.621 0 50 EHAA C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)CCc1ccc(Cl)c(Cl)c1 263209500 NIGHYRAISIOPNS-PWSUYJOCSA-N 344.238 3.638 0 50 EHAA Cc1ccc(C)c(-n2ncc(NCc3ncnn3C(C)(C)C)c2C)c1 285031822 DOLUVQMKPDGQQQ-UHFFFAOYSA-N 338.459 3.756 0 50 EHAA Cc1cncc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)c1 340576213 YYVREXZYIXPSQR-UHFFFAOYSA-N 344.846 3.677 0 50 EHAA CC(C)(C)n1ccnc1SCC(=O)Nc1ccc(O)c(Cl)c1 357377295 PWRHPOLGNQIBLJ-UHFFFAOYSA-N 339.848 3.728 0 50 EHAA Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H]([C@H]2CCOC2)C1 374439350 UUASTVRNFFMSBY-GJZGRUSLSA-N 334.485 3.608 0 50 EHAA CCC(=O)NCc1ccccc1-c1cccc(C(=O)NCC2CC2)c1 426361874 CAZXKCBDSCNICX-UHFFFAOYSA-N 336.435 3.520 0 50 EHAA COc1ccccc1-c1nc(CN2CCC[C@]3(CCOC3)C2)cs1 451909516 ZXYOZVHNBAQQIV-IBGZPJMESA-N 344.480 3.821 0 50 EHAA CC[C@H](NC(=O)N(CCN(C)C)C1CCCCC1)c1ccc(O)cc1 584890997 BRZXGUIUESCJRT-IBGZPJMESA-N 347.503 3.749 0 50 EHAA CC[C@H](NC(=O)Cc1ccc2nc(C)[nH]c2c1)c1nc(C)c(C)s1 584892892 DANRZPLPCGSBQM-AWEZNQCLSA-N 342.468 3.755 0 50 EHAA CCc1csc(CC2CCN([C@H](C(=O)O)c3ccccc3)CC2)n1 656190879 HFZLCVSAYOEAQB-SFHVURJKSA-N 344.480 3.786 0 50 EHAA Cc1cccc(C(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)n1 825230651 QHBYYOBMLKSIRH-KRWDZBQOSA-N 326.396 3.590 0 50 EHAA COc1ccc([C@H](C)NC[C@@H]2CCCO[C@H]2c2cn[nH]c2)cc1C 888078076 MICGDVHCOMVYQC-URLQWDBASA-N 329.444 3.545 0 50 EHAA O=C(c1cc(C(F)(F)F)no1)N1CCC[C@H]1Cc1ccc(F)cc1 888099818 YMSXIZWJDGZHFA-LBPRGKRZSA-N 342.292 3.680 0 50 EHAA CC(C)Oc1ccc(C(=O)N2C[C@H](C)Oc3cc(F)c(F)cc32)nc1 906233033 PXFVJPPUNKCHPQ-NSHDSACASA-N 348.349 3.575 0 50 EHAA Cc1csc(C[C@H]2CCN(C(=O)Nc3cccc(C4CC4)n3)C2)n1 931552857 VAJGZZBJABWEIL-CYBMUJFWSA-N 342.468 3.820 0 50 EHAA COc1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2c2cc(C)[nH]n2)cc1 1157199250 GXUSNIKRXWSXEK-SCTDSRPQSA-N 339.439 3.584 0 50 EHAA COc1ccc2c(c1)C[C@H](c1nnc(-c3ccccc3F)o1)CO2 1326483591 BRJQPXHVMBFKHF-LBPRGKRZSA-N 326.327 3.603 0 50 EHAA COCCN(CCc1nc2ccc(C)cc2[nH]1)Cc1cccs1 1506403749 UDEDZFUBZKZLJT-UHFFFAOYSA-N 329.469 3.624 0 50 EHAA CSc1ccc2c(C)cc(N[C@@H]3COC4(CCNCC4)C3)nc2c1 1704312938 BVZKYJVLFFYCDB-AWEZNQCLSA-N 343.496 3.588 0 50 EHAA Cc1c(F)cccc1C(=O)NCCCC[C@@H](CC(F)(F)F)C(=O)O 1875292016 UATAJUOOIQXHCP-NSHDSACASA-N 349.324 3.687 0 50 EHAA COc1ccc2c(c1)N([C@H](C)c1ccc(S(C)(=O)=O)cc1)C[C@@H]2C 2325793720 FWHQFHHDUVCLAA-UONOGXRCSA-N 345.464 3.783 0 50 EHAA CN(C)C(=O)Cc1ccc(Nc2cc(-c3cccs3)ncn2)cc1 2325870082 ILZKBGDQHMQCQW-UHFFFAOYSA-N 338.436 3.579 0 50 EHAA CCOc1ccccc1NC(=O)CSc1nc2ccccc2o1 181639 AMRDVJYOGJAACN-UHFFFAOYSA-N 328.393 3.957 0 50 EHAA COc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1OC 237004 YUPHNDJYJVROCT-UHFFFAOYSA-N 346.858 3.679 0 50 EHAA COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1 464110 KGLJVYNIBQPPQN-UHFFFAOYSA-N 332.208 3.803 0 50 EHAA O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1COc2ccccc2O1 534788 FNMWTKMIUGTBPG-FQEVSTJZSA-N 345.398 3.732 0 50 EHAA CCCCOc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 2818619 RWSQCJIBVKHBAE-UHFFFAOYSA-N 325.474 3.819 0 50 EHAA COc1cccc(C(=O)NCC2(c3ccccc3)CCCC2)c1OC 4867717 LQRGRWALPYMTKI-UHFFFAOYSA-N 339.435 3.946 0 50 EHAA biogenic COc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 5234995 WGKJINMHPSNLSB-UHFFFAOYSA-N 331.437 3.537 0 50 EHAA O=C(Nc1ccncc1)c1cc(-c2ccncc2)nc2ccccc12 5520678 FKVPRYZOGAERKN-UHFFFAOYSA-N 326.359 3.944 0 50 EHAA CCCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2cc(Cl)ccc21 6702600 MLQURVJURCVRTD-QGZVFWFLSA-N 349.839 3.619 0 50 EHAA c1ccc(-c2cnnc(NCC3(N4CCCCC4)CCCC3)n2)cc1 11814533 XXKOIQZFJRBEAT-UHFFFAOYSA-N 337.471 3.749 0 50 EHAA CC(C)N1CC[C@H](CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)C1 11844087 UEBJHPRHGPDLLI-CQSZACIVSA-N 348.878 3.552 0 50 EHAA O=C(c1ccccn1)N1CCC[C@H](CCc2c(F)cccc2F)C1 12093813 UUXDXJJALHMMCR-CQSZACIVSA-N 330.378 3.845 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](CCc3ccccc3C)C2)nc(C)n1 12112139 NWMCAFCTQOYACE-GOSISDBHSA-N 337.467 3.887 0 50 EHAA Cc1ccc(-c2n[nH]cc2CN(Cc2nccn2C)C(C)C)cc1C 12303053 JWCMYUXFLZRZTH-UHFFFAOYSA-N 337.471 3.838 0 50 EHAA C[C@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1 12383869 NYCFXUKJAWICGQ-LBPRGKRZSA-N 347.340 3.933 0 50 EHAA COc1ccc(Cl)cc1NC(=O)[C@H](C)Cn1nc(C)c(C)c1C 12420398 CFRBVSCLUGNBKD-SNVBAGLBSA-N 335.835 3.745 0 50 EHAA O=C(CCC(F)(F)F)N1CCC[C@](CO)(CCc2ccccc2)C1 12578261 QOHBSJICGCLPPJ-KRWDZBQOSA-N 343.389 3.563 0 50 EHAA Cc1ccc(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1C 20394741 IITAGYVIHVIDOR-UHFFFAOYSA-N 341.430 3.792 0 50 EHAA COc1cc(OC)c(-c2nc3c(cnn3CC3CC3)[nH]2)cc1Cl 23429219 IVVIMQCCZZIWIQ-UHFFFAOYSA-N 332.791 3.507 0 50 EHAA CCOc1cc(CN2CCCC2)ccc1Oc1ccc(Cl)nn1 67856522 WKSKUKCGIXWLLK-UHFFFAOYSA-N 333.819 3.917 0 50 EHAA O=C(c1cncc(F)c1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71403940 FFTGMKHUGZMMCM-OAHLLOKOSA-N 330.378 3.845 0 50 EHAA Cc1ccc(NC(C)(C)C(=O)N2CCC3(CCOCC3)CC2)cc1 71771354 LOUQYRQYANOFDK-UHFFFAOYSA-N 330.472 3.605 0 50 EHAA CN1CCC(N(CCc2ccccc2)C(=O)Nc2ccccc2)CC1 72140292 KQLCYZPYJONTGR-UHFFFAOYSA-N 337.467 3.857 0 50 EHAA Cc1nc([C@H](C)N(C)C(=O)CCc2n[nH]c3c2CCCC3)c(C)s1 77521495 ZQTXINZIVDEWPQ-NSHDSACASA-N 346.500 3.514 0 50 EHAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@H]1COC2(CCCC2)C1 92046067 CQIGMTOZKKFQRG-MRXNPFEDSA-N 340.467 3.854 0 50 EHAA Cc1ccsc1CCNC(=O)c1cnc(Nc2ccccc2)nc1 97743372 YEYPADRTJDNVLB-UHFFFAOYSA-N 338.436 3.563 0 50 EHAA CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cc3ccccc3oc1=O)C2 101610815 WBCIILBXDHTKEG-RISOHXOYSA-N 325.408 3.738 0 50 EHAA CCOC(=O)C(F)(F)CN(Cc1ccccc1)Cc1ccccc1 114528533 VZBXWYDVDVKRLV-UHFFFAOYSA-N 333.378 3.887 0 50 EHAA Cc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)cn2)c1C 115232702 YVYNDWNNFHXALE-NUJGCVRESA-N 338.407 3.997 0 50 EHAA Cc1ccc([C@H](C)CNC(=O)Nc2cc(C3CCC3)nn2C)cc1 153653268 ZLSDBXVAKBGFMB-CQSZACIVSA-N 326.444 3.921 0 50 EHAA C[C@H](CC(=O)c1ccccc1)NC(=O)c1c(F)c(F)cc(F)c1F 165161993 HXJHGLAFNJNLHX-SECBINFHSA-N 339.288 3.634 0 50 EHAA COc1ccc([C@H]2CN(Cc3ccc(F)cc3F)C[C@@H]2N(C)C)cc1 213156658 NKVWAAANKPGULO-QUCCMNQESA-N 346.421 3.503 0 50 EHAA Cc1ccccc1[C@H](CNC(=O)c1cnoc1-c1ccccc1)N(C)C 216463218 CVWWAXJRWYUCKW-IBGZPJMESA-N 349.434 3.683 0 50 EHAA C[C@H](C(=O)NCC1(c2ccc(F)cc2)CCCC1)n1cc(Cl)cn1 223595109 CHQXVBXWULSJJH-CYBMUJFWSA-N 349.837 3.865 0 50 EHAA COc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 229342257 DIIIMGAKLSYYHO-SNPRPXQTSA-N 327.346 3.600 0 50 EHAA CCn1nc(C)c([C@@H](C)NC(=O)CC2CC(C)(C)NC(C)(C)C2)c1C 243892829 ALTFUAMAKTYVPX-CYBMUJFWSA-N 348.535 3.644 0 50 EHAA Cc1c(CN2CCSCC2)cccc1N[C@@H]1CCN2CCC[C@H]2C1 253370272 OMRORPZRNPOTMS-MOPGFXCFSA-N 345.556 3.583 0 50 EHAA CCc1csc(CC(=O)N(C)[C@@H](CC)c2cccc(OC)c2)n1 291793468 PVVXKIOHXHIKPG-INIZCTEOSA-N 332.469 3.866 0 50 EHAA O=C(N[C@H]1CCCOc2ccccc21)c1scnc1C(F)(F)F 293748219 OYABFHPZTCYJGD-JTQLQIEISA-N 342.342 3.806 0 50 EHAA Brc1cncnc1N[C@H](c1ccccc1)C1CCOCC1 366235388 JTLQQCQPGYSMFX-OAHLLOKOSA-N 348.244 3.819 0 50 EHAA Cc1cc(O)nc2cc(C(=O)Nc3c[nH]nc3-c3ccccc3)ccc12 367731146 XLMKRMQWCLHUHZ-UHFFFAOYSA-N 344.374 3.891 0 50 EHAA C[C@H](Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)[C@@H]1CCOC1 386456099 MTFBSTPABIYWPQ-DZGCQCFKSA-N 332.444 3.774 0 50 EHAA CC(C)(C)c1ncc(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)cn1 408279901 LQBDZJFFCHGJDM-LLVKDONJSA-N 344.381 3.969 0 50 EHAA CC(C)CN(Cc1ccc(F)cc1)C(=O)NCCc1ccncc1 426632952 WQERCGVOZYEBPG-UHFFFAOYSA-N 329.419 3.631 0 50 EHAA CCC1(CC)C[C@H]1CNC(=O)N(C)Cc1noc(C2CCCC2)n1 534589568 TZRHYRLZFCDOAT-AWEZNQCLSA-N 334.464 3.695 0 50 EHAA CCc1sc2ncn(CC3(C)COC3)c(=O)c2c1-c1ccccc1 584894085 OHNSBTKXBVGUOF-UHFFFAOYSA-N 340.448 3.724 0 50 EHAA CN1C(=O)CCc2cc(C(=O)N3CCCC[C@@H]3c3ccco3)ccc21 677552371 FKRBYZIZFSIDCK-QGZVFWFLSA-N 338.407 3.556 0 50 EHAA Cc1ccc([C@H](NC(=O)c2c(C3CC3)n[nH]c2C)c2ccncc2)cc1 825172677 FOVHADFQMMBCFH-IBGZPJMESA-N 346.434 3.818 0 50 EHAA CCc1c(-c2csc([C@@H]3CCN(C(C)=O)C3)n2)[nH]c(C)c1C(C)=O 887281215 SDTZZRKZXZJYGD-CYBMUJFWSA-N 345.468 3.547 0 50 EHAA Cc1cccc(-c2ccc(NC(=O)c3c4c(nn3C)CCC4)nc2)c1 899546962 RIXTVYZZTSBEDX-UHFFFAOYSA-N 332.407 3.532 0 50 EHAA Cc1cnn([C@H]2CCCN(C(=O)c3cc(-c4ccccc4)ccn3)C2)c1 932126408 QNCGWZXYXZEPBY-IBGZPJMESA-N 346.434 3.731 0 50 EHAA COc1ccc(Cl)cc1C(C)(C)NC(=O)[C@@H]1Cc2cccnc2C1 1354991709 GQVUKLDHUAFLAM-CYBMUJFWSA-N 344.842 3.510 0 50 EHAA O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccsc2)[nH]n1 1529111929 AWXZXPMIHUVIIL-UHFFFAOYSA-N 349.419 3.635 0 50 EHAA Cc1cc(F)cc(C(=O)N2CCCN(Cc3ccsc3)CC2)c1 1529150814 ASDDWKUKYOOFJD-UHFFFAOYSA-N 332.444 3.544 0 50 EHAA COc1ccc(CN[C@H]2CC[C@@H](Cc3nnc(C)o3)C2)cc1Cl 1775960263 BOWTYTGGIMOPBJ-OCCSQVGLSA-N 335.835 3.541 0 50 EHAA Cc1cc(CN[C@H](CCNC(=O)OC(C)(C)C)c2ccccc2)on1 1775991647 LRVRAIDGDOPVBO-QGZVFWFLSA-N 345.443 3.729 0 50 EHAA Cc1nnc(N(CCC(C)C)C(=O)[C@H]2CC=CCO2)c2ccccc12 1875276100 OZQGKOVZOJQIIN-GOSISDBHSA-N 339.439 3.662 0 50 EHAA Clc1cc2ccccc2c(=NC[C@@H]2COc3ccccc3O2)[nH]1 1875337175 PQCPXUMCNOJMFL-CYBMUJFWSA-N 326.783 3.562 0 50 EHAA Cc1cccc2cc(C(=O)N3CCC[C@H]3CNC(=O)C(C)(C)C)oc12 1875346031 QQFZKMHMYRSCGJ-HNNXBMFYSA-N 342.439 3.508 0 50 EHAA CCCOc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OC 2325706627 NIEMTELWLXDUON-UHFFFAOYSA-N 348.487 3.523 0 50 EHAA Brc1ccc2nc(N3CCC(c4ncc[nH]4)CC3)oc2c1 2325767247 WXGNQSGONBDQKY-UHFFFAOYSA-N 347.216 3.697 0 50 EHAA CN(Cc1ccc2cnccc2c1)C(=O)c1cc(N2CCCC2)ccn1 2325770201 SWVHKQCVNGUPSS-UHFFFAOYSA-N 346.434 3.502 0 50 EHAA NC(=O)c1cccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)c1 2325821428 NLPFZIVYIAVDLU-UHFFFAOYSA-N 331.297 3.657 0 50 EHAA CCc1nc(C)cc(N(C)Cc2cnn(-c3cccc(Cl)c3)c2)n1 2325859764 JSCWTCVOLAOWFQ-UHFFFAOYSA-N 341.846 3.823 0 50 EHAA CC(=O)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 40294 MTBUATBIDKRIOJ-VIFPVBQESA-N 349.567 3.950 0 50 EHAA CCOc1ccc([C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 104442 CPTNENMTAHUBJQ-AWEZNQCLSA-N 327.380 3.577 0 50 EHAA COc1cc(C(=O)Oc2ccc(Cl)cc2C)cc(OC)c1OC 122483 PYBQEWUSMISBEL-UHFFFAOYSA-N 336.771 3.893 0 50 EHAA O=C(COc1ccc(Br)cc1)N1CCCc2ccccc21 142590 UAVQRADFOYBUSN-UHFFFAOYSA-N 346.224 3.807 0 50 EHAA Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)c1 198403 XLMIAYHWPWINGN-UHFFFAOYSA-N 346.342 3.567 0 50 EHAA CCOC(=O)[C@H](Oc1ccc2c(C)cc(=O)oc2c1)c1ccccc1 264294 XTYLNIMMHAGPJX-LJQANCHMSA-N 338.359 3.785 0 50 EHAA COc1cccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)no2)c1 423699 ZZPNCNBHAJAVNU-UHFFFAOYSA-N 336.347 3.805 0 50 EHAA CCc1ccc(O)c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 457087 HLGRIQYTRQDREA-UHFFFAOYSA-N 348.855 3.664 0 50 EHAA COc1ccccc1-n1c(S)nnc1Cc1ccc(Cl)cc1 468521 BLVYZOALRSIBNT-UHFFFAOYSA-N 331.828 3.809 0 50 EHAA CCOc1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 469785 WMVSKWHTUMLSFO-UHFFFAOYSA-N 346.386 3.837 0 50 EHAA CCc1ccc(-n2nc3ccc(NC(=O)c4ccco4)cc3n2)cc1 547202 KOEPJEGIQRSIKK-UHFFFAOYSA-N 332.363 3.828 0 50 EHAA COc1cccc(Nc2ncccc2C(=O)NCc2ccccc2)c1 1340621 BXLQDAXOFDYPGK-UHFFFAOYSA-N 333.391 3.764 0 50 EHAA aggregator CC[C@H](C)NC(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 1398961 HDQWSNMYDWRBNJ-JTQLQIEISA-N 338.329 3.793 0 50 EHAA Cc1cc(C)nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 2510516 HTCMDBPULDADNQ-UHFFFAOYSA-N 341.358 3.843 0 50 EHAA Cc1ccc(C(C)C)c(OCCSc2ncnc3[nH]cnc23)c1 4454046 ZZUSYVBZXPPXDH-UHFFFAOYSA-N 328.441 3.956 0 50 EHAA O=C1OC(c2cccc(Br)c2)=N/C1=C\c1cccs1 4589164 DFUICLLPZJHOGD-WQLSENKSSA-N 334.194 3.855 0 50 EHAA C[C@H]1C[C@H]1C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 5881414 RNKKSIVKJCYTKH-LAUBAEHRSA-N 349.474 3.817 0 50 EHAA CN(C(=O)COCc1cc(-c2ccc(F)cc2)on1)C1CCCCC1 6876389 DKQAXDLCWHQZCE-UHFFFAOYSA-N 346.402 3.788 0 50 EHAA Cc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 10371375 FDUFWSMQVITQGU-UHFFFAOYSA-N 336.435 3.802 0 50 EHAA CCN1CCC(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)CC1 11759126 MYNBUZHCXBBVQM-GOSISDBHSA-N 346.490 3.729 0 50 EHAA COc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)on2)cc1 12371022 GXECBATXKUJOTO-UHFFFAOYSA-N 342.782 3.934 0 50 EHAA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)NC1CCCCC1 14566794 KXMHKURQPOHWFV-UHFFFAOYSA-N 329.444 3.767 0 50 EHAA O=S(=O)(Cc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 16579738 MFIVYYBLFXVGKT-UHFFFAOYSA-N 347.455 3.610 0 50 EHAA Cc1ccc(-c2nc(CN(C)C[C@@H]3Cc4ccccc4O3)c(C)o2)o1 20784872 HWJFCWFORVSKRA-INIZCTEOSA-N 338.407 3.987 0 50 EHAA CC(C)c1cc(CN2CCC(CO)(CCc3ccccc3)CC2)n[nH]1 23153333 KAZKISSNLWJNFI-UHFFFAOYSA-N 341.499 3.740 0 50 EHAA O=C1C[C@@H](c2nc(-c3ccsc3)c[nH]2)CN1c1cccc(F)c1 23191540 AXYUZVIXRURFSO-GFCCVEGCSA-N 327.384 3.798 0 50 EHAA CCOC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1 36434068 RQAFJRAGEIMIBQ-UHFFFAOYSA-N 349.427 3.642 0 50 EHAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 43773509 JBVNBBXAMBZTMQ-WSBLSWJJSA-N 328.452 3.614 0 50 EHAA CN(C)[C@H](CNCc1c[nH]nc1-c1ccc(F)cc1)c1cccs1 53945848 MSSSSGHHGIYLOC-MRXNPFEDSA-N 344.459 3.670 0 50 EHAA CC[C@H](C)NC1CCN(c2ccc(N3C(=O)CC[C@H]3C)cc2)CC1 55060982 HQIAKMYEODCDRY-JKSUJKDBSA-N 329.488 3.559 0 50 EHAA CC1=NO[C@H](C(=O)Nc2cc(C)ccc2NC(=O)C2CCCCC2)C1 55061129 FLRLYWWOKLERCK-KRWDZBQOSA-N 343.427 3.617 0 50 EHAA NC[C@@H]1Cc2cc(Cl)cc(-c3ccc(-c4ccccc4)nn3)c2O1 67691616 LJDLITAENUQZKS-HNNXBMFYSA-N 337.810 3.726 0 50 EHAA c1ccc(-c2noc(N3CCCN(Cc4cccs4)CC3)n2)cc1 77376832 JTISYYVTOMMNSN-UHFFFAOYSA-N 340.452 3.510 0 50 EHAA Cc1cc(C(=O)N(C)CCc2scnc2C)c2ccc(F)cc2n1 82161961 YVPSSIRUMDWABA-UHFFFAOYSA-N 343.427 3.762 0 50 EHAA Cc1cc(CN2CCC[C@@H](n3cncn3)C2)ccc1Oc1cccnc1 119516935 QJNRQZYYTGOMGO-GOSISDBHSA-N 349.438 3.611 0 50 EHAA COc1ccc(-c2noc(-c3cnc([C@H]4CCCO4)s3)n2)cc1 131969822 PMMXTVQOPKIMNQ-GFCCVEGCSA-N 329.381 3.720 0 50 EHAA Cc1cccc(F)c1NC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 133463302 JMOPBBPKAPEVGZ-LBPRGKRZSA-N 341.386 3.902 0 50 EHAA Cc1nnc([C@@H](C)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)o1 152655291 QQMPODHHCKTDKT-YPMHNXCESA-N 332.473 3.654 0 50 EHAA COCc1ccc([C@@H]2CCCN2C(=O)NCCc2ccccc2)o1 162091163 SOHMGAWEQNTLRR-KRWDZBQOSA-N 328.412 3.515 0 50 EHAA C[C@@H]1CCN(C(=O)COc2cccc(Cl)c2)c2c(O)cccc21 170597393 TWZPSYCNIDICDN-GFCCVEGCSA-N 331.799 3.965 0 50 EHAA CCn1nccc1C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 170619098 SMYIUXABGMRAOT-QGZVFWFLSA-N 349.438 3.661 0 50 EHAA CN(C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1)[C@H]1CCNC1 179078846 AXOCNRKJRYOZQK-XOVSCCBYSA-N 346.883 3.902 0 50 EHAA CC(C)Cn1ncc(C(=O)N[C@@H]2CCOc3ccccc32)c1C1CC1 180067570 WLLVAPULOICPEC-QGZVFWFLSA-N 339.439 3.670 0 50 EHAA COCc1noc([C@H](C)N(C)Cc2cc(Cl)cc(Cl)c2)n1 181561350 ZRSJYJZYFIIYIM-VIFPVBQESA-N 330.215 3.716 0 50 EHAA O=C(O)C[C@H]1CCCCN1C(=O)c1ccccc1Oc1ccccc1 221268727 MIYKUJJJNVOEAI-OAHLLOKOSA-N 339.391 3.948 0 50 EHAA CS[C@@H]1CCCC[C@H]1NC(=O)N[C@H](c1nccs1)C1CC1 230092040 KXDYFQPLSNEJQB-UPJWGTAASA-N 325.503 3.568 0 50 EHAA C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(C(=O)O)cc1 237577805 MNUXFUAKXMCEDR-MLGOLLRUSA-N 327.355 3.542 0 50 EHAA Cc1csc(-c2ccc(NC(=O)CCC3CCNCC3)cc2)n1 237666488 MRWBOIRHFBWFKF-UHFFFAOYSA-N 329.469 3.837 0 50 EHAA COC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 253589955 BCVUFMYYVJXODV-CQKTVPLYSA-N 346.467 3.566 0 50 EHAA CCO[C@@H](C)c1nc(CN2CCC[C@H]2c2noc(C3CC3)n2)cs1 257366225 OMMGREAVLPJWTD-FZMZJTMJSA-N 348.472 3.838 0 50 EHAA Cn1c([C@@H]2CCCN2Cc2ccc3cn[nH]c3c2)nc2c1CCCC2 275589271 PPLLNLHIKKINGO-IBGZPJMESA-N 335.455 3.512 0 50 EHAA COc1cc2c(cc1CNC(=O)c1csc(C(C)C)c1)OCCO2 299759310 QIFDPCLKDDPLRD-UHFFFAOYSA-N 347.436 3.581 0 50 EHAA Cc1ccc(C)c(N(C(=O)c2nn(C)c3ccccc3c2=O)C(C)C)c1 346858261 NZFOPMAKUWJJTE-UHFFFAOYSA-N 349.434 3.606 0 50 EHAA COCCC1(c2nc([C@@H]3CCOc4ccccc43)no2)CCCC1 356564294 OHQDKYUQJCSEOK-OAHLLOKOSA-N 328.412 3.832 0 50 EHAA COc1cccc(Cl)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O 356911365 LGZIXEIXRAXYJX-CFVMTHIKSA-N 337.847 3.504 0 50 EHAA CC(=O)c1cc(C(=O)N[C@@]2(C)CCCc3ccccc32)c(C)nc1C 362763943 XOLYGPPCDHJFOE-NRFANRHFSA-N 336.435 3.883 0 50 EHAA CC[C@@H](NC(=O)c1ccc(-c2ccnc(C)c2)cc1)c1cnn(C)c1 426412763 LGHDRZPEZLZWHO-LJQANCHMSA-N 334.423 3.672 0 50 EHAA CC[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccncc1 453188318 WHYUKPUZIKUNEL-IRXDYDNUSA-N 347.821 3.720 0 50 EHAA Cc1cc(CNC(=O)N2CCc3ccc(F)cc3[C@H]2C)cnc1C 584896264 SBYFEMAFRHSJHQ-CQSZACIVSA-N 327.403 3.666 0 50 EHAA O=C(Nc1ccc(-n2cncn2)c(Cl)c1)C1CCC(F)(F)CC1 758940156 RFWMZJZLIXFPDR-UHFFFAOYSA-N 340.761 3.685 0 50 EHAA CCN(CC)CCOc1ccc(CN[C@H](C)c2c(C)noc2C)cc1 863983286 DZCIBFAREXVIEQ-OAHLLOKOSA-N 345.487 3.863 0 50 EHAA Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(F)c4occc34)C2)nc1 899676495 PCIYFIQSDVIMDR-ZDUSSCGKSA-N 340.354 3.569 0 50 EHAA CC(C)(C)C(=O)Nc1ccc(-c2ccc(F)c3c2CCNC3)cn1 904757991 KZUXHDIUYACCEA-UHFFFAOYSA-N 327.403 3.518 0 50 EHAA C[C@@H](Oc1ccccc1F)C(=O)OCC(=O)c1cccc(Cl)c1 914657922 OGQMTWUXBGYHNS-LLVKDONJSA-N 336.746 3.673 0 50 EHAA CC[C@H](Cc1cccc(C)c1)c1nc(-c2cnn(CC)c2N)no1 924274870 VDYJHGAMOGLBNW-CQSZACIVSA-N 325.416 3.580 0 50 EHAA CN1CCC(OCC(=O)Nc2ccc3oc4ccccc4c3c2)CC1 929510281 PQROEAXHSIYPRF-UHFFFAOYSA-N 338.407 3.635 0 50 EHAA CSc1ccc(-c2noc([C@H](C(=O)OC(C)(C)C)C3CC3)n2)nc1 952963442 IVWUXJYARPXPHR-CYBMUJFWSA-N 347.440 3.689 0 50 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0 50 EHAA C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CCOc1ccccc1C(=O)O 183925405 XRSYHZSCVDSWOC-GOEBONIOSA-N 343.398 3.781 0 50 EHAA Cc1ccsc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 823764709 ALJURUAZXPADIZ-UHFFFAOYSA-N 330.453 3.782 0 50 EHAA C[C@H](CCc1ccccc1)CN1CCC(c2cc(C(=O)O)on2)CC1 1875283382 QBKCLURLKPAOHY-OAHLLOKOSA-N 342.439 3.821 0 50 EHAA NC[C@@H]1CCCc2ccc(C(=O)N[C@H](Cc3ccccc3)C3CC3)cc21 1875356676 QAFGIGNLIZZPEH-RBBKRZOGSA-N 348.490 3.816 0 50 EHAA COCc1csc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 888102133 DHERQZZJXIIXQI-MRXNPFEDSA-N 344.480 3.745 0 50 EHAA COc1ccccc1-c1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1C 889442230 NRCCCDANTXBSFX-ZIAGYGMSSA-N 337.379 3.729 0 50 EHAA Cc1nc([C@H](C)NC(=O)N2CC=C(c3cccc(C)c3C)CC2)no1 1333777342 RTFHDRSPVMNHSH-AWEZNQCLSA-N 340.427 3.555 0 50 EHAA Cc1cc(CNC(=O)C2CC3(C2)C[C@H]3C(=O)O)ccc1-c1ccccc1 1776005844 JNHPSEIXOLHSNM-OZWAEMERSA-N 349.430 3.779 0 50 EHAA C[C@@H](Nc1nccc2c1C(=O)OC2(C)C)c1cc(F)ccc1N(C)C 1338480725 VFSDUJHIZCZBMN-LLVKDONJSA-N 343.402 3.865 0 50 EHAA CC(=O)N1C[C@H]2CC[C@@H](C1)N(Cc1[nH]c3c(Cl)cccc3c1C)C2 1565510322 HXOFUJKNBWXRDB-CABCVRRESA-N 345.874 3.572 0 50 EHAA O=C(NCC1CCOCC1)Nc1cc(F)ccc1SCC(F)F 172500125 IOOGWMILQSHVNR-UHFFFAOYSA-N 348.390 3.731 0 50 EHAA FC(F)(F)c1cnc(N2CCC[C@@H]2CN2CCCC2)c(Cl)c1 189082354 CGHRSDRRPVPVEF-GFCCVEGCSA-N 333.785 3.818 0 50 EHAA O=C(C[C@@H]1CCc2ccccc21)N[C@H]1C[C@@H](C(=O)O)c2ccccc21 653330308 CRNFRWADMYJIOW-KYNGSXCRSA-N 335.403 3.536 0 50 EHAA O=C(c1cc(F)ccc1F)[C@H]1CCCN(C2CCSCC2)C1 12300170 OEAXJKOGBOSWQW-LBPRGKRZSA-N 325.424 3.755 0 50 EHAA COc1cccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)c1 3907920 XYFFYCPLBDAFDX-UHFFFAOYSA-N 334.375 3.943 0 50 EHAA c1cncc(-c2nc(CCn3ccnc3-c3cnsc3)cs2)c1 1857703158 WOEGWCXRVBNTBE-UHFFFAOYSA-N 339.449 3.768 0 50 EHAA CCc1cccnc1C(=O)Nc1ccc(Sc2nncs2)cc1 408513740 GUCDZMDGOFZLQW-UHFFFAOYSA-N 342.449 3.899 0 50 EHAA CN(C[C@H]1CCCOC1)c1cncc(OCc2cccc(Cl)c2)n1 153303325 AZHASDQTGRXKJO-OAHLLOKOSA-N 347.846 3.572 0 50 EHAA Cc1ncc(CN[C@H]2CCCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)o1 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EHAA Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1C 308245 WSKHWNCKOLELAE-UHFFFAOYSA-N 336.435 3.794 0 50 EHAA COc1cccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)no2)c1 423675 DWCKLZDYECLWIU-UHFFFAOYSA-N 342.782 3.934 0 50 EHAA aggregator CC[C@H](C(=O)N1CCN(c2ccccc2OC)CC1)c1ccccc1 455717 VGLVNNUHMZBMOM-SFHVURJKSA-N 338.451 3.538 0 50 EHAA CCOc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 464813 HZIXYNJKYGCTDB-UHFFFAOYSA-N 329.780 3.679 0 50 EHAA C[C@@H](Oc1ccc(F)cc1)C(=O)Oc1ccc(Br)cc1 4276483 IBTBOORCRUFUGC-SNVBAGLBSA-N 339.160 3.961 0 50 EHAA COC(=O)Cc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 9237311 JPNRVBSWBGMCJN-UHFFFAOYSA-N 327.767 3.564 0 50 EHAA C[C@@H](Cc1ccccc1F)N1CCC(CCC(=O)NC2CC2)CC1 11934314 RJPIOPPCGABURE-HNNXBMFYSA-N 332.463 3.528 0 50 EHAA CC(=O)Nc1cccc(NC(=O)c2cc(Br)cs2)c1 12379758 DECBGXAPGVCWCP-UHFFFAOYSA-N 339.214 3.721 0 50 EHAA Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)NC1CCCC1 13331359 VZUHBAXFOYOJHV-UHFFFAOYSA-N 330.407 3.751 0 50 EHAA Cc1cc(C(=O)Nc2ncc(Cl)cc2Cl)c2c(C)noc2n1 13641954 IREKJQGZJURPOA-UHFFFAOYSA-N 337.166 3.794 0 50 EHAA COc1cccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c1 19370602 VZUGKQQMFKSHKB-UHFFFAOYSA-N 330.859 3.666 0 50 EHAA O=C(Nc1ccccc1)Nc1ccc(C(=O)NCc2ccco2)cc1 20114533 BBDINDSZIZHLDV-UHFFFAOYSA-N 335.363 3.854 0 50 EHAA Cc1ccccc1NC(=O)N1CCN(Cc2ccccc2Cl)CC1 20418845 QWVXASMFRNXLLS-UHFFFAOYSA-N 343.858 3.998 0 50 EHAA CN(C)CCNCCCOc1ccc(Cl)cc1Cc1ccccc1 20418857 KIDMDDNSTDIQHJ-UHFFFAOYSA-N 346.902 3.851 0 50 EHAA CCC(=O)Nc1cccc(NC(=O)COc2ccc(C)cc2)c1C 31619437 HZWPUPCXDMFNKL-UHFFFAOYSA-N 326.396 3.669 0 50 EHAA Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)c2ccco2)CCO3)cc1 67673110 QMEIZTOXVMZFTE-UHFFFAOYSA-N 349.386 3.995 0 50 EHAA CC[C@@H](C)N(CC)C(=O)c1cc(COc2ccc(C(C)=O)cc2)on1 67821832 IZHQWFGIHMHMHR-CYBMUJFWSA-N 344.411 3.717 0 50 EHAA O=C(c1ccc[nH]1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 67867216 DQEKZSNFFKBXIT-UHFFFAOYSA-N 338.386 3.564 0 50 EHAA CC(=O)c1ccc(CN2CCCN(c3ccc(F)cc3)CC2)cc1 72144016 STTYZILFZMYNDD-UHFFFAOYSA-N 326.415 3.741 0 50 EHAA COC[C@@H](c1ccccn1)N(C)C(=O)c1oc2cc(C)ccc2c1C 91585850 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330.472 3.708 0 50 EHAA CCCNC(=O)CCNC(=O)N(c1ccc(C)c(C)c1)C(CC)CC 225459970 KCUDKAXRYSBECP-UHFFFAOYSA-N 347.503 3.924 0 50 EHAA CCn1ccnc1[C@H]1CCCCN1C(=O)CCc1ccc(OC)cc1 241126091 JJMBTMLNZVANOJ-GOSISDBHSA-N 341.455 3.598 0 50 EHAA Cc1cc(-n2cccn2)ccc1NC(=O)Nc1cnn(CC(C)C)c1 252496311 PGKWNJLIFWFZOX-UHFFFAOYSA-N 338.415 3.677 0 50 EHAA Clc1ccc([C@@H]2Cn3nc(-c4nc(C5CC5)no4)cc3CO2)cc1 263616177 HMRGIHLGXFZGDZ-HNNXBMFYSA-N 342.786 3.735 0 50 EHAA O=S(=O)(Cc1nc(C2CCCCC2)cs1)c1ccc(O)cc1 278338578 UUNPKHXHERFNJA-UHFFFAOYSA-N 337.466 3.870 0 50 EHAA Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)N1C[C@H]2[C@H](C1)C2(C)C 281371210 RASXKQJCTUVYKV-GJZGRUSLSA-N 344.846 3.954 0 50 EHAA O=C(N[C@@H]1CCCOc2ccccc21)c1scnc1C(F)(F)F 293748223 OYABFHPZTCYJGD-SNVBAGLBSA-N 342.342 3.806 0 50 EHAA O=C(NCCn1cnc2ccccc21)c1c[nH]cc1-c1ccc(F)cc1 359199574 QLBVIUSOBANVMS-UHFFFAOYSA-N 348.381 3.601 0 50 EHAA O=C([C@@H]1Cc2ccccc21)N1CCC[C@@H]1C[C@H](O)c1cccs1 408513117 XOQQVBMJNPMVKA-OIISXLGYSA-N 327.449 3.503 0 50 EHAA CC(C)(CNC(=O)c1ccc(C(F)(F)F)c(O)n1)c1cccs1 668770981 HCLIZODFTJXDMF-UHFFFAOYSA-N 344.358 3.575 0 50 EHAA CC(C)NC(=O)OC[C@@H]1CCCCN1Cc1cnc2ccccc2c1 796708749 SBXVJOASPMEBCW-SFHVURJKSA-N 341.455 3.724 0 50 EHAA O=C(OC[C@H]1CC[C@H](c2ccccc2)O1)c1ncnc2ccsc12 851047131 VBRUURFVJVERKW-UKRRQHHQSA-N 340.404 3.768 0 50 EHAA C[C@H](NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc(O)ccc1F 872065757 BBADICHZQLNQKS-RDJZCZTQSA-N 328.431 3.704 0 50 EHAA Cc1ccc(C)c(-n2cnc3cc(-c4nc(C5(N)CC5)no4)ccc32)c1 905324836 HUFWEJVPDZGMNI-UHFFFAOYSA-N 345.406 3.640 0 50 EHAA O=C(NCc1cc2ccccc2o1)C1(N2CCCC2)CCCCC1 952968443 MUEPGQSGDINMJB-UHFFFAOYSA-N 326.440 3.848 0 50 EHAA C[C@@H](CN(C)Cc1ccc(C2CCCCC2)s1)N1CCOCC1 952989174 VNXHLBQOEGIKJN-INIZCTEOSA-N 336.545 3.948 0 50 EHAA CN(C)[C@H]1C[C@H]2C[C@@H](N(C)Cc3cccc4c3ccn4C)C[C@H]2C1 1704297373 PADAFMBCWXSWHF-QGFMHUBQSA-N 325.500 3.729 0 50 EHAA COCC1(c2nc(C)nn2-c2cc(C)c3ccc(Cl)cc3n2)CC1 1875246332 MDDIAWMLBRJHGV-UHFFFAOYSA-N 342.830 3.764 0 50 EHAA O=C(COC(=O)CSc1cccs1)Nc1ccc2c(c1)CCC2 1875258297 SURDCXKHZVTXKB-UHFFFAOYSA-N 347.461 3.511 0 50 EHAA Cc1c(Cl)ccc(S(=O)(=O)n2cnc3ccccc32)c1Cl 82773 WJWCTSJKVDPNCG-UHFFFAOYSA-N 341.219 3.889 0 50 EHAA COc1ccc(-c2noc(COc3ccc(C)cc3C)n2)cc1OC 91967 FCRCCTHIMAXROP-UHFFFAOYSA-N 340.379 3.950 0 50 EHAA CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(C)=O)c1C 121675 YRJGAUBZFXICBE-UHFFFAOYSA-N 331.393 3.688 0 50 EHAA COc1ccc(OC)c(NC(=O)COc2ccc(Cl)cc2C)c1 436103 COMBDWPKDSHFQG-UHFFFAOYSA-N 335.787 3.683 0 50 EHAA O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1 474709 NEYKIJZWZYMNKF-JXMROGBWSA-N 342.826 3.829 0 50 EHAA aggregator Cc1ccc(N2CCN(C(=S)Nc3ccc(F)cc3)CC2)c(C)c1 1079246 BIIWTFVRHWZFEY-UHFFFAOYSA-N 343.471 3.962 0 50 EHAA Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)o1 2532417 DUCKJIOVQOAWEM-UHFFFAOYSA-N 328.315 3.734 0 50 EHAA COC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CCC2 2736470 LTTPWTIMJAZQCM-UONOGXRCSA-N 341.432 3.766 0 50 EHAA CCCOc1ccc([C@@H]2CC(=O)Nc3cc(OC)cc(OC)c32)cc1 4488981 PRAFVXCQZXITHY-INIZCTEOSA-N 341.407 3.967 0 50 EHAA CC(C)COC(=O)C12CC3CC(C1)CC(C(=O)OCC(C)C)(C3)C2 5481753 BKDZHFJHAQQKJZ-UHFFFAOYSA-N 336.472 3.971 0 50 EHAA Cn1cc(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)cn1 6828175 RWERPEGENYWXAZ-UHFFFAOYSA-N 342.468 3.597 0 50 EHAA CC[C@H](C(=O)NCc1nc(-c2ccc(C)cc2)no1)c1ccccc1 7759533 LGVGYFCUIVHCKA-KRWDZBQOSA-N 335.407 3.855 0 50 EHAA CCc1cccc(CC)c1NS(=O)(=O)c1cc(F)ccc1OC 10302076 JMKQJHIADAAHMJ-UHFFFAOYSA-N 337.416 3.760 0 50 EHAA Cc1oc(-c2ccc(F)cc2)nc1CN(Cc1cnn(C)c1)C(C)C 11713603 YRMASLVDZHTYJN-UHFFFAOYSA-N 342.418 3.933 0 50 EHAA CSc1ccccc1C(=O)[C@H]1CCCN(Cc2cnn(C)c2C)C1 12585663 QFYWHAMAVIFWPW-HNNXBMFYSA-N 343.496 3.545 0 50 EHAA COc1cc(NC(=S)N2CCCC[C@H]2C)c(OC)cc1Cl 13518811 RIQNQQSKMYSPHS-SNVBAGLBSA-N 328.865 3.928 0 50 EHAA O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccncc2)cc1 13631142 HTLNJKSNUUFEBV-UHFFFAOYSA-N 345.402 3.905 0 50 EHAA CCCOc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 13746498 AZGQZCBLNFRGAX-UHFFFAOYSA-N 342.414 3.577 0 50 EHAA O=S(=O)(Cc1ccccc1F)N1CCC(Cc2ccccc2)CC1 16577239 ORSGMYZZSZINKM-UHFFFAOYSA-N 347.455 3.610 0 50 EHAA C1CCCCCC2(CCCCC1)OC[C@H](CN1CCOCC1)O2 19868007 AXTKPHAKXVXLKW-SFHVURJKSA-N 325.493 3.735 0 50 EHAA O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(Cl)cc1 19894201 AKJVQGUNXSCCLC-UHFFFAOYSA-N 348.874 3.641 0 50 EHAA Clc1ccc(-n2cccc2CN2CCC[C@@H](N3CCCC3)C2)nc1 23359714 KZQVHYCVSHRBAF-QGZVFWFLSA-N 344.890 3.586 0 50 EHAA CCOc1cc(CN2CCN(c3cc(C)ccc3C)CC2)ccc1O 55292033 REPAHZFLIFRUDC-UHFFFAOYSA-N 340.467 3.730 0 50 EHAA CC(C)c1cc(NCc2cnn(-c3ccccc3)c2)n2nccc2n1 72143219 NRJOVBALSCUUDJ-UHFFFAOYSA-N 332.411 3.651 0 50 EHAA CC(C)n1cc(C(=O)N(C)Cc2csc(-c3ccccc3)n2)cn1 72428457 NWKHNPTYKFGAOT-UHFFFAOYSA-N 340.452 3.860 0 50 EHAA O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](c2ncc[nH]2)C1 75553256 AQNDCASSDOSHLO-CQSZACIVSA-N 338.436 3.553 0 50 EHAA Cc1cccnc1C[C@@H](C)N(C)C(=O)c1ccc2cccc(F)c2n1 91604067 ACUZGIPFISVUSZ-CQSZACIVSA-N 337.398 3.781 0 50 EHAA CC(C)Cc1ncc2c(n1)CN(C(=O)Nc1cccc3c1CCC3)C2 95507907 FXXSFTBWQJAFKH-UHFFFAOYSA-N 336.439 3.712 0 50 EHAA COCCN(Cc1ccsc1)C(=O)Nc1ccc2c(c1)CCC2=O 96162186 KQCZXJFUVBZLHT-UHFFFAOYSA-N 344.436 3.558 0 50 EHAA Brc1ccc(CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 101789434 ORSOTLDCGHFTFF-BQFCYCMXSA-N 349.316 3.755 0 50 EHAA Cc1cc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)c(C)o1 110619640 NPLDBIMXCMZUEE-WMLDXEAASA-N 332.469 3.771 0 50 EHAA CC(C)c1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)no1 123732260 MJFWOZWGOIXWDB-WBVHZDCISA-N 341.455 3.581 0 50 EHAA Cc1nccn1-c1ccc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 129372498 LZTPYZUNFXVPAW-LSDHHAIUSA-N 338.377 3.786 0 50 EHAA Cc1ncsc1CN(C)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 170997236 UOEBMLNFOKPTQK-DOTOQJQBSA-N 345.468 3.513 0 50 EHAA COc1cnccc1[C@H](C)NC(=O)N(CC1CC1)C1CCCCC1 187507257 MWBOHSCZRIFGNY-AWEZNQCLSA-N 331.460 3.906 0 50 EHAA Cc1cc(CNC(=O)c2cc(C(F)(F)F)ccc2Cl)ccn1 220586157 BAKTTYVOXFJPKI-UHFFFAOYSA-N 328.721 3.992 0 50 EHAA O=C(Nc1ccc(NC(=O)C(F)F)cc1F)c1cccc(Cl)c1 225627846 GUIUGNLNBXPSQG-UHFFFAOYSA-N 342.704 3.935 0 50 EHAA CN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1ccc2c(ccn2C)c1 253406419 IXJQBERGWKZQMS-AZUAARDMSA-N 339.483 3.515 0 50 EHAA biogenic CC(C)(C)c1noc(-c2cc3n(n2)C[C@H](c2ccc(F)cc2)OC3)n1 263616642 JWMDASRPJUSNTD-OAHLLOKOSA-N 342.374 3.641 0 50 EHAA Cc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1C 331814454 BNPWBVHXISGDLM-QZTJIDSGSA-N 328.387 3.782 0 50 EHAA O=C(Nc1nc2c(s1)CCCCCC2)N1CC[C@@H](O)C12CCCC2 333047098 BAUMGABETMLUKN-OAHLLOKOSA-N 349.500 3.713 0 50 EHAA CC(C)c1nc([C@H](C)NC(=O)c2ccc(-c3cccs3)o2)n[nH]1 341510133 YHOANSOAAAASCF-JTQLQIEISA-N 330.413 3.741 0 50 EHAA CC(=O)c1cc(C(=O)N[C@]2(C)CCCc3ccccc32)c(C)nc1C 362763944 XOLYGPPCDHJFOE-OAQYLSRUSA-N 336.435 3.883 0 50 EHAA O=C(c1ccc(NC2CCC3(CCCO3)CC2)cc1)N1CCCC1 373870140 JUYMYOQVGAEOPK-UHFFFAOYSA-N 328.456 3.826 0 50 EHAA Fc1ccccc1-c1nc(CN2CC[C@@]3(CCCOC3)C2)cs1 375271833 HIKBDROBZPBHOU-SFHVURJKSA-N 332.444 3.952 0 50 EHAA Cc1cccc2oc(CCNC(=O)c3cccc4ncccc34)nc12 408513012 MYGUWRMJZOWWDM-UHFFFAOYSA-N 331.375 3.657 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1ccc(-c2cncc(N)c2)cc1 426734152 RQQMPEWRBJLVOO-CQSZACIVSA-N 349.438 3.504 0 50 EHAA Cc1nc2ccccc2n1CCC(=O)N[C@H](C)Cc1ccsc1 547473335 FQKBGPGYZVVYBM-CYBMUJFWSA-N 327.453 3.544 0 50 EHAA C[C@H](c1ccncn1)N(C)C(=O)NC1(c2ccc(Cl)cc2)CC1 584903871 VQXRMVOTNUWRTF-GFCCVEGCSA-N 330.819 3.522 0 50 EHAA CCn1nccc1[C@@H]1OCCC[C@H]1CN[C@@H](C)c1ccncc1Cl 886079899 BOOCLNLFANRURY-SUNYJGFJSA-N 348.878 3.770 0 50 EHAA CC1(C)CN(c2cnc(F)cn2)[C@@H]1c1nccn1-c1cccc(F)c1 952894254 MODVJSYJBOZJMX-MRXNPFEDSA-N 341.365 3.528 0 50 EHAA Cc1ccc(CN(C)Cc2cccc(OCCCn3ccnc3)c2)o1 952970599 DBSDTXJYLBKFKF-UHFFFAOYSA-N 339.439 3.886 0 50 EHAA c1ccc(N2CC[C@H](N3CCCN(C4CCCCC4)CC3)C2)cc1 1506427489 MBIVCMOAVUJFNN-NRFANRHFSA-N 327.516 3.606 0 50 EHAA O=C(NC12CCC(C(=O)O)(CC1)CC2)c1cccc([C@@H]2CC2(F)F)c1 1875304527 MQHYKVKFISXZDQ-NNGSBXSVSA-N 349.377 3.717 0 50 EHAA O=C(N[C@@H]1CC12CCC2)c1ccc(-c2ccc3c(c2)OCCO3)s1 1875312101 HNWYLXCNCZWHMK-QGZVFWFLSA-N 341.432 3.859 0 50 EHAA O=C(Nc1ccccc1)Nc1cccc(OC[C@@H]2C[N@]2CC2CC2)c1 1875385660 YFFOBFLPRNTFHV-MBSDFSHPSA-N 337.423 3.804 0 50 EHAA CCCOc1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)cc1C(C)C 2325758578 WNCPHWVZTGGUFM-AYHJJNSGSA-N 344.499 3.954 0 50 EHAA C[C@H](NC(=O)[C@@]12CCCC[C@@H]1CC(F)(F)C2)C1(O)CCCCC1 2325790171 VQRYJZORHPVGRX-SQWLQELKSA-N 329.431 3.792 0 50 EHAA CC1CCN(CCOc2cccc(-c3cncc4nccnc34)c2)CC1 2325856872 GTXBYQGWHOUPRV-UHFFFAOYSA-N 348.450 3.803 0 50 EHAA Cc1ccc(F)c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 70096 WZHGQTLGRMXXLO-LBPRGKRZSA-N 346.789 3.779 0 50 EHAA Cc1cc(Br)ccc1OCC(=O)N(C)c1ccccc1 311983 HIQXULCLVPBBOP-UHFFFAOYSA-N 334.213 3.799 0 50 EHAA Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NC1CCCCCC1 2793736 NIAMTVKZVLWJKQ-LLVKDONJSA-N 331.382 3.685 0 50 EHAA COc1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1 3684348 BXPJUWCCMJKWIN-UHFFFAOYSA-N 346.858 3.679 0 50 EHAA CC(=O)OC[C@@]12CC=C(C)[C@@H](C1)[C@H](c1ccccc1OC(C)=O)OC2 4094062 WXXRTAUWPYIECM-YZGWKJHDSA-N 344.407 3.589 0 50 EHAA Cn1c(=O)c(/C=C/c2ccc(Br)cc2)nc2ccccc21 4824518 ZDWSAIGYOAMFPQ-DHZHZOJOSA-N 341.208 3.866 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)Nc1ccccc1OC 6571427 JZZNSXBXZDHJIN-UHFFFAOYSA-N 336.438 3.661 0 50 EHAA CCc1cc(C(=O)OC)c(NC(=S)N2CCCCCC2)s1 6708401 OHARMIKACRKYKF-UHFFFAOYSA-N 326.487 3.670 0 50 EHAA Cc1ccc(NC(=O)Nc2ccc(Cn3cncn3)cc2)c(Cl)c1 9875221 ITJSGMYNUMFLCY-UHFFFAOYSA-N 341.802 3.932 0 50 EHAA COc1ccc2cc(-c3n[nH]cc3CN(C)Cc3ncc[nH]3)ccc2c1 11935723 IZGHMMNJEHVENF-UHFFFAOYSA-N 347.422 3.594 0 50 EHAA CCOc1ccccc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 12138503 YNBLSHYUKYGQSK-UHFFFAOYSA-N 340.423 3.866 0 50 EHAA CC(=O)Nc1cccc(NC(=O)c2ccc(OCC(C)C)cc2)c1 12138616 BXALNYLIZMCYIF-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA Cc1nc(CNCc2cccnc2Oc2ccc(C)c(F)c2F)c[nH]1 12316766 XCKZJLSJQQEERR-UHFFFAOYSA-N 344.365 3.782 0 50 EHAA CCOC(=O)C1(CCOC)CCN([C@@H]2CCCC(C)(C)C2)CC1 12591370 BTPLQPQCHZEWBG-MRXNPFEDSA-N 325.493 3.637 0 50 EHAA CCCC(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O 13494394 CDZRGTUWVSSBBK-UHFFFAOYSA-N 338.407 3.758 0 50 EHAA CCc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cccc(F)c1 20402128 FITDAGZIJFBMGG-GOSISDBHSA-N 340.398 3.631 0 50 EHAA CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cccs2)NC(=O)N1 22130540 YCFVGBSVROYAAB-AWEZNQCLSA-N 347.827 3.668 0 50 EHAA O=C(CCc1ccccc1F)Nc1ccccc1C(=O)N1CCCC1 51529438 WFKCTFOSQSRTCM-UHFFFAOYSA-N 340.398 3.633 0 50 EHAA CO[C@@H](CNCc1c[nH]nc1-c1ccc(F)cc1)c1cccs1 55035907 MKEVGKCJVGAWBN-HNNXBMFYSA-N 331.416 3.755 0 50 EHAA Cc1ccccc1CN1CCN(Cc2ccc(F)cc2F)CCC1=O 55108553 SCDYSNMTQKDKDJ-UHFFFAOYSA-N 344.405 3.508 0 50 EHAA CC[C@H](NCc1c(C)cc(C)c(COC(C)=O)c1C)c1ccnn1C 55153802 QKQLMLPCKUICDX-IBGZPJMESA-N 343.471 3.649 0 50 EHAA COc1nccnc1Oc1c(C)cc(CN2CCCCC2)cc1C 67694665 QTPFACDWAOJGAU-UHFFFAOYSA-N 327.428 3.880 0 50 EHAA CCOc1ccccc1-c1nc(CN(C)C[C@@H]2CCCO2)c(C)o1 67935460 IWOOWWMIMOXVQH-HNNXBMFYSA-N 330.428 3.660 0 50 EHAA COC[C@@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ccccn1 72419612 HNTRKSIMNYAJOE-GOSISDBHSA-N 345.406 3.591 0 50 EHAA Cc1ccccc1[C@H]1CCCN(C(=O)c2nn(C)c3c2CCCC3)C1 77287459 IWIPQXOKXZBKMQ-INIZCTEOSA-N 337.467 3.627 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)N3CCC[C@@H]3Cn3cccn3)c2c1 77320239 LWHSUPYXPWZLME-QGZVFWFLSA-N 348.450 3.661 0 50 EHAA Clc1ccc(-c2nccn2Cc2noc([C@@H]3CCCO3)n2)s1 77485628 CRSFRDOBIOPDHD-VIFPVBQESA-N 336.804 3.548 0 50 EHAA CC(C)C[C@H](O)C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 77520108 HKCBPYWIDNCHOT-INIZCTEOSA-N 327.827 3.738 0 50 EHAA CCCc1cc(C(=O)N2CCC[C@@H](OCc3cccnc3)C2)cs1 91690001 KZHRMAJBUHVXQJ-QGZVFWFLSA-N 344.480 3.917 0 50 EHAA O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)[C@@H]1CCOC1 110418324 PGDKDBOQYAUOMS-GFCCVEGCSA-N 326.327 3.609 0 50 EHAA Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C3(CC(C)C)CCC3)cc2)n1 157075979 QZDQNNLBUHUCOG-UHFFFAOYSA-N 339.439 3.900 0 50 EHAA CC[C@H]1CN(C(=O)c2cc(-c3cccnc3)on2)c2ccccc2O1 172688672 YNEQTUUPGMLOQA-AWEZNQCLSA-N 335.363 3.554 0 50 EHAA Cc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)c1 181330301 HNXXFPHKDQBRMF-SFHVURJKSA-N 346.434 3.800 0 50 EHAA O=C(NCC[C@H]1CCCCO1)Nc1ncc(Cc2ccccc2)s1 181412546 FGGVVLJZRBQMIC-OAHLLOKOSA-N 345.468 3.815 0 50 EHAA O=C1NCCN1Cc1ccccc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 188326747 ZCMTYHGIBOKCFY-ZIAGYGMSSA-N 341.377 3.745 0 50 EHAA CC(C)[C@H](NC(=O)c1ccccc1-c1ccccc1)c1ncnn1C 222994783 HTRJXTKVPDQNNV-SFHVURJKSA-N 334.423 3.609 0 50 EHAA O=C(/C=C/c1ccccc1)N1CCC([C@@H](O)CCc2ccccc2)CC1 223722111 FGCQXNHVWUYJAB-VKXNWWILSA-N 349.474 3.932 0 50 EHAA Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 230182020 SYUCJALZQFKSLM-NDSDBLNTSA-N 339.483 3.853 0 50 EHAA Cc1cccnc1[C@H]1CCC[C@@H](Nc2ccc(CNC(N)=O)cc2)C1 239667136 BPBBGKWHCAOIHX-FUHWJXTLSA-N 338.455 3.697 0 50 EHAA C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 241961271 UQVWSSZCZYTUNH-PNBKFKSVSA-N 346.471 3.589 0 50 EHAA C[C@@H]1CCCCN1C1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 243932673 BXRGWAUSBQCCPM-CQSZACIVSA-N 344.890 3.789 0 50 EHAA CCO[C@H](C)CN(C)C(=O)Nc1ccccc1Oc1cccnc1 299796890 NTGGZSVTJIPRKA-CQSZACIVSA-N 329.400 3.763 0 50 EHAA CCc1ccc(CN2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)o1 426422916 MOJGIDMMKWMEGU-YZGWKJHDSA-N 333.472 3.781 0 50 EHAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1ccc2scnc2c1 426434036 JZPGCQICQNUDOQ-UHFFFAOYSA-N 340.452 3.561 0 50 EHAA COC[C@@H]1CN(C(=O)Nc2c(Cl)ccc(C)c2C)CC(C)(C)O1 499837562 FLLXDVHMJYVPPG-ZDUSSCGKSA-N 340.851 3.615 0 50 EHAA CC[C@@H](C)C(=O)Nc1ccccc1NC(=O)Cc1sc(C)nc1C 822560088 UYBYTFDPKPXHFC-LLVKDONJSA-N 345.468 3.926 0 50 EHAA COc1ccc(I)cc1NC(=O)OC(C)(C)C 888088104 CVJUVOXGHFZGCL-UHFFFAOYSA-N 349.168 3.647 0 50 EHAA CCCC[C@@H](NCc1cnc(N2CCCCC2)nc1)c1cccnc1 952989931 IXNUGCJIFDNPRB-LJQANCHMSA-N 339.487 3.883 0 50 EHAA CO[C@@H]1CCC[C@]12CCCN(Cc1nc(-c3ccccc3C)no1)C2 1704315329 SDAFQVXCAMQKBU-YLJYHZDGSA-N 341.455 3.826 0 50 EHAA O=C(O)[C@@H]1CC[C@H](C(F)(F)F)N1Cc1ccc(F)c(Cl)c1F 1875290990 KZBQJNQSSOLWLW-DTWKUNHWSA-N 343.679 3.598 0 50 EHAA O=C([C@@H]1CCCC[C@@H]1c1cccnc1)N1CCC[C@@]2(CCCO2)CC1 1875299589 PKRNQYUHWUXUJG-SFHLNBCPSA-N 342.483 3.917 0 50 EHAA FC(F)c1cc(N2CCN(c3cccc4sccc34)CC2)ncn1 2325775632 UECKGNDIZCOCSJ-UHFFFAOYSA-N 346.406 3.956 0 50 EHAA COc1cccc([C@@H](CF)NC(=O)c2ccc3scnc3c2)c1 2325817373 OFLMVAATPVVVTN-OAHLLOKOSA-N 330.384 3.746 0 50 EHAA COc1ccc(NC(=O)CC2(OC)CCCCC2)c2cccnc12 2325840124 QEEVIFXTSVQEDX-UHFFFAOYSA-N 328.412 3.921 0 50 EHAA CCOc1ccnc2sc(C(=O)Nc3cccc4c3CNC4)cc12 2325859641 FDBYCZTUYHDZCR-UHFFFAOYSA-N 339.420 3.551 0 50 EHAA C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NCc1ccnc2[nH]ccc12 2325861238 KGBYDWSZPIREGK-IRXDYDNUSA-N 348.494 3.809 0 50 EHAA O=C(NC[C@H]1CCCO1)c1cc(-c2ccccc2)nc2ccccc12 30176 ZLPQNEBQRNLUPQ-MRXNPFEDSA-N 332.403 3.811 0 50 EHAA COC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 95138 AEALYBTZQMLFBC-UHFFFAOYSA-N 340.813 3.870 0 50 EHAA Cc1ccccc1N1CCN(C(=S)c2ccc(N(C)C)cc2)CC1 443441 XLJAOVDVSHMMFN-UHFFFAOYSA-N 339.508 3.559 0 50 EHAA O=C(NC1CCCCC1)c1cnn2c(C(F)F)cc(C3CC3)nc12 2777567 XDXGWPAANPQOIF-UHFFFAOYSA-N 334.370 3.607 0 50 EHAA CC(=O)O[C@H]1CS[C@@H]2c3ccccc3C(=O)N2Cc2sccc21 4108888 FGEJKORVRVLUJI-WMLDXEAASA-N 345.445 3.754 0 50 EHAA Cc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1Cl 4190220 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326.897 3.902 0 50 EHAA CCCOc1c(Cl)cccc1NC(=O)[C@H]1Cc2ccccc2CN1 1506402599 ITRWBJMMZQGGCV-QGZVFWFLSA-N 344.842 3.782 0 50 EHAA C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@H]12 1857619414 CYKYBWRSLLXBOW-MVOJFTAWSA-N 334.500 3.568 0 50 EHAA CC(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1 53010 ZHANSMIDARKXBN-UHFFFAOYSA-N 340.379 3.622 0 50 EHAA Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 308349 FFBPPJBUTXASII-UHFFFAOYSA-N 336.435 3.794 0 50 EHAA CC(C)N1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 793352 GXXCHGBSDFICIA-LJQANCHMSA-N 343.810 3.556 0 50 EHAA COc1ccccc1OCCSc1nnc(C)n1-c1ccccc1 2179559 CPVBFTZUIQEWDF-UHFFFAOYSA-N 341.436 3.755 0 50 EHAA CCCOc1ccc(OCCOCCN2C[C@H](C)C[C@@H](C)C2)cc1 2823748 HPPAFXHZWSOYJV-QZTJIDSGSA-N 335.488 3.849 0 50 EHAA O=C(CNC(=O)C1CCCCC1)Nc1cc(Cl)cc(Cl)c1 2995823 MAZVIDCZAAUICH-UHFFFAOYSA-N 329.227 3.628 0 50 EHAA CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1ccccc1F 5429182 TUUASFHSVCQPAK-UHFFFAOYSA-N 339.370 3.846 0 50 EHAA Cc1c(Cl)cccc1NC(=S)NCc1ccc2c(c1)OCO2 8683635 VDACVOARPDKQHL-UHFFFAOYSA-N 334.828 3.864 0 50 EHAA CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 9259199 XXBHSYDLVRHPPG-HOTGVXAUSA-N 346.427 3.501 0 50 EHAA CCOc1ccc(CNC(=O)c2ccc(CN3CCCC3)cc2)cc1 10448933 ZEULLNVQCQHVHN-UHFFFAOYSA-N 338.451 3.611 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)n[nH]1 11664334 WDGHHLCKVNRNBG-KRWDZBQOSA-N 326.444 3.558 0 50 EHAA Cc1cc(CN[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)[nH]n1 11817921 ZXKDXUOOUXCXRR-SFHVURJKSA-N 335.455 3.688 0 50 EHAA CSc1ccc(CN2CCN(C(=O)c3ccccc3F)CC2)cc1 19790075 CNCVFKNVPPUYSI-UHFFFAOYSA-N 344.455 3.506 0 50 EHAA c1ccc(-c2cccc(N3CCC(N[C@H]4CCCNC4)CC3)c2)cc1 20168116 YURITSCHFAZWOJ-NRFANRHFSA-N 335.495 3.664 0 50 EHAA Cc1nc(-c2ccccc2)[nH]c1CN1CCN(CC2CCCC2)CC1 20537733 OIXFRAMZAISGMH-UHFFFAOYSA-N 338.499 3.693 0 50 EHAA Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)N(C)C)cc1 21807461 ITXLAIJUOONEEH-LJQANCHMSA-N 349.434 3.683 0 50 EHAA CCN(CC)C(=O)c1cc(-c2cn[nH]c2)nc2ccc(Cl)cc12 23506337 RDWZAUGVZWTYFI-UHFFFAOYSA-N 328.803 3.760 0 50 EHAA COc1ccc(C2(c3ccc(OC)cc3)C(=O)Nc3ccccc32)cc1 28883936 DFVOKGXDKHGTMQ-UHFFFAOYSA-N 345.398 3.990 0 50 EHAA COc1ccc(CC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1OC 36620854 YWVKNEVMEBFYDT-SFHVURJKSA-N 339.435 3.918 0 50 EHAA Cc1ccc2c(CN3CCN(c4ccccc4)CC3)cc(=O)oc2c1C 54105994 KZOZFXZMEJSPQW-UHFFFAOYSA-N 348.446 3.732 0 50 EHAA Cc1c2c(nn1Cc1ccccc1)NC(=O)C[C@H]2Cc1ccccc1 65373125 WKRJSCGIIQOUKA-GOSISDBHSA-N 331.419 3.908 0 50 EHAA CCc1cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)ncn1 71762907 HXEWPDORFMBJRY-OAHLLOKOSA-N 338.238 3.924 0 50 EHAA O=C(O)c1ccccc1[C@@H]1CCN(Cc2cccc3ncccc23)C1 72129033 LUFZNGRXJRBRQB-MRXNPFEDSA-N 332.403 3.923 0 50 EHAA CCCc1nc(N[C@@H](CC)c2nc(C)c(C)s2)c2cnn(C)c2n1 72454411 LWMJRZMKURDIOL-ZDUSSCGKSA-N 344.488 3.952 0 50 EHAA O=C1Nc2ccccc2NC12CCN(C1CCCCCCC1)CC2 82109081 PWTIMVRGXMECKR-UHFFFAOYSA-N 327.472 3.998 0 50 EHAA Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccnn3C(F)F)C2)c1 82146798 LSZVHKYPRPKVNR-CQSZACIVSA-N 349.381 3.518 0 50 EHAA C/C=C(\C)CN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 92077722 MEHOPEXTPIDIPP-CRKCGEKBSA-N 348.437 3.746 0 50 EHAA Cc1nc2ccccc2n1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 92116491 PETJIICBLDVAPR-INIZCTEOSA-N 339.782 3.503 0 50 EHAA O=C(Nc1ccc(Nc2ccccc2)nc1)[C@@H]1CCCc2[nH]ncc21 135225532 CLHIYGBXZYGPCB-OAHLLOKOSA-N 333.395 3.607 0 50 EHAA Cc1ccc(C(C)(C)C)c(O[C@@H](C)C(=O)NCC(F)(F)F)c1F 170618768 BZCKELFLBNGQSQ-JTQLQIEISA-N 335.341 3.877 0 50 EHAA Oc1cccc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 185388134 MXUZTRGQRCMXAF-UHFFFAOYSA-N 348.450 3.913 0 50 EHAA O=C(Nc1ccc2sncc2c1)N[C@H](CCCO)c1ccccc1 190768210 PCDHCZOHOQNCDB-MRXNPFEDSA-N 341.436 3.932 0 50 EHAA Fc1ccc(-c2ccc(CN3CCOC[C@]34CCOC4)s2)cc1 195015829 HKBJILFEWBXERM-GOSISDBHSA-N 333.428 3.546 0 50 EHAA COc1cccc([C@H]2CCN(Cc3cccc4[nH]ccc34)C[C@@H]2O)c1 209883583 DIIPJXNTKOCCOV-CTNGQTDRSA-N 336.435 3.527 0 50 EHAA O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 222484560 CQAKHYZWTCUJJW-KODHJQJWSA-N 349.386 3.940 0 50 EHAA 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EHAA FC(F)(F)n1cc(CNCCc2cc3ccccc3s2)cn1 2325801611 PNWAWOXYROEYGY-UHFFFAOYSA-N 325.359 3.906 0 50 EHAA CCOC(=O)[C@H](C)Oc1cc2oc(=O)c(Cl)c(C)c2cc1Cl 46572 FFKVNKTXECJUPS-QMMMGPOBSA-N 345.178 3.739 0 50 EHAA CNC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCCCC2 103375 FKXJSOXQXICEON-UHFFFAOYSA-N 346.427 3.768 0 50 EHAA Cc1cc(C)cc(NC(=S)NC(=O)COc2ccccc2C)c1 456400 DHGVPZFOXIEFSS-UHFFFAOYSA-N 328.437 3.504 0 50 EHAA CCOc1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1 1427555 IMCLPEMLOCFDJP-HNNXBMFYSA-N 336.343 3.633 0 50 EHAA O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)Nc1ccccc1 2550115 PZQWGMJXNGELJK-UHFFFAOYSA-N 349.386 3.689 0 50 EHAA CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 2900495 IRAKOLOTFVRWKZ-UHFFFAOYSA-N 348.424 3.836 0 50 EHAA Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccccc1Cl 2993433 DRPWKKJHWGPACF-UHFFFAOYSA-N 337.206 3.557 0 50 EHAA O=C(Nc1ccc2c(c1)OCCO2)NC12CC3CC(CC(C3)C1)C2 4196692 KGNFUQPAMPXCDD-UHFFFAOYSA-N 328.412 3.548 0 50 EHAA Cc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 4850579 ZILYZMHPXAHXOE-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA CC(C)/C=C/CN1CCOc2ccc([C@@H](O)c3cccnc3)cc2C1 11790422 RYIRRSBSCSKTAM-KTBYTZPXSA-N 338.451 3.570 0 50 EHAA Cc1cc(C(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)c(C)o1 12592282 GSBWFPRIKGXNCS-IBGZPJMESA-N 340.467 3.723 0 50 EHAA CCCc1n[nH]c(NC(=O)N2CCC(CCc3ccccc3)CC2)n1 48130235 KWQPUVUXNYLZIL-UHFFFAOYSA-N 341.459 3.634 0 50 EHAA Cc1ccc([C@H](CC(=O)NCc2ccnn2C)c2ccccc2)cc1 55269619 JHEPHYYRUDEALE-HXUWFJFHSA-N 333.435 3.567 0 50 EHAA CCN(CC)C(=O)c1nc(CCc2ccccc2)nn1-c1ccccc1 65374614 KSGGASQRGSGSFV-UHFFFAOYSA-N 348.450 3.535 0 50 EHAA COc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2C1CC1 65396675 VFVKWAVWHBTZCP-INIZCTEOSA-N 336.391 3.783 0 50 EHAA Clc1ccc(-n2nc(C3CC3)nc2C2(Cn3ccnc3)CC2)cc1 65398164 IDOATNMLZGXHRJ-UHFFFAOYSA-N 339.830 3.726 0 50 EHAA Cc1cc(-c2nc(CCc3ccccc3)n[nH]2)c2cnn(C(C)C)c2n1 67674470 DFZRDFDZKAUTRW-UHFFFAOYSA-N 346.438 3.891 0 50 EHAA CCN(CC)Cc1cc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)c(C)o1 71767979 SRMNLUGFFSUGEH-FDCRZUCXSA-N 330.472 3.548 0 50 EHAA COC(=O)c1cc(CN(C)Cc2cccc3ncccc23)cs1 72133553 QTCFKIMMQUTXDQ-UHFFFAOYSA-N 326.421 3.715 0 50 EHAA COc1cccc(CN2CC(Oc3ccccc3Cl)C2)c1OC 72154490 CTMQYZLCXYBPMR-UHFFFAOYSA-N 333.815 3.620 0 50 EHAA Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccccn3)[nH]n2)s1 72432622 OLNXGPRZQBQHAJ-MRXNPFEDSA-N 338.436 3.819 0 50 EHAA OCc1ccc(-c2nccn2CCCc2nc3ccccc3s2)o1 77354602 AOZVMDISIFSEMF-UHFFFAOYSA-N 339.420 3.878 0 50 EHAA COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ccc(F)cc3F)C2)c1 77489634 KUZWSGKRFYOIFY-GFCCVEGCSA-N 347.361 3.612 0 50 EHAA COCCC[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 77538669 RHAVJHZUXABURQ-CYBMUJFWSA-N 329.362 3.984 0 50 EHAA CSc1ccccc1C(=O)N1CCCC[C@@H]1CCn1ccnc1C 82155836 CYRCRNVBGXEFPF-MRXNPFEDSA-N 343.496 3.998 0 50 EHAA COc1cccc2c1OC[C@@H](Cc1ccccc1NC(=O)C1CC1)C2 95524352 DEKUHQNVJUUMKI-AWEZNQCLSA-N 337.419 3.838 0 50 EHAA Cc1nc2ccc(C(=O)NC[C@H]3CCOc4ccccc4C3)cc2o1 96152970 ZMWPFXQUUDHTCZ-AWEZNQCLSA-N 336.391 3.507 0 50 EHAA C[C@@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)C1CCOCC1 119479502 CGVAOOSDBHLFEY-LLVKDONJSA-N 329.400 3.642 0 50 EHAA O=C(CCn1cnc2ccccc21)N[C@H]1CCCc2sccc21 137378127 MTOYNOSXALCMRN-AWEZNQCLSA-N 325.437 3.682 0 50 EHAA Cc1nc(C)c(CCNC(=O)Nc2cccc(-c3ncco3)c2)s1 152417069 XIWKGOYOTZDKOH-UHFFFAOYSA-N 342.424 3.779 0 50 EHAA O=C1[C@@H](Nc2ccc3c(c2)COC3)CCN1c1ccccc1Cl 152773707 NVPOKKKVHHIHBO-INIZCTEOSA-N 328.799 3.588 0 50 EHAA Cc1cc([C@@H](C)NCc2nnc3n2CCCC3)ccc1Br 183856797 PKYGVMBKACXESR-GFCCVEGCSA-N 349.276 3.536 0 50 EHAA COC(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1O 214475307 QDUZSSFLUIOJAQ-ZDUSSCGKSA-N 335.197 3.850 0 50 EHAA COc1cc(OC)c(CN(Cc2cccnc2)C2CC2)cc1Cl 215351747 IDGSNRPACMTUFR-UHFFFAOYSA-N 332.831 3.917 0 50 EHAA COc1ccccc1OC1CN(Cc2ccc([C@H]3CCCO3)s2)C1 216467755 USWTYPXKYBGQKG-GOSISDBHSA-N 345.464 3.871 0 50 EHAA O=C(c1ccccn1)[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 221382741 ACCNAQYQDIYWRK-HNNXBMFYSA-N 334.375 3.563 0 50 EHAA O=C(O[C@@H]1CCc2cccnc21)c1ccc(CN2CCCCC2)cc1 225604166 JVYFALCMWKTLIV-LJQANCHMSA-N 336.435 3.912 0 50 EHAA Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 229431377 PSBRWXBUYYSRKT-RBSFLKMASA-N 343.393 3.724 0 50 EHAA C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 229768885 NJJLBHFGSABEQL-MAUKXSAKSA-N 333.435 3.733 0 50 EHAA CCOc1ccc2c(c1)CN([C@H](C)C(=O)N[C@H]1CCCC[C@H]1C)CC2 242339297 ZGQBSWBLSUUESJ-QINHECLXSA-N 344.499 3.527 0 50 EHAA C[C@@H]1SCCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)[C@H]1c1ccccc1 252005836 OOZHRSFAYMRUTF-WQANXHIZSA-N 338.476 3.890 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253611291 UUPIPRLEJNRKGW-IPQNIRAVSA-N 332.484 3.774 0 50 EHAA Cn1nccc1[C@@H]1OCC[C@H]1CNc1ccc2oc(C3CC3)nc2c1 299745137 WKRKJXAVKHCVBM-SCLBCKFNSA-N 338.411 3.628 0 50 EHAA COc1ccccc1[C@@H](N[C@H]1CCc2nccn2C1)C1CCCC1 375841206 NIEHXZVUYQACKT-JXFKEZNVSA-N 325.456 3.728 0 50 EHAA O=S1(=O)CCCN1Cc1cccc(-c2ccc(F)c3[nH]ccc23)c1 871590506 XLZGOXVORLUNND-UHFFFAOYSA-N 344.411 3.510 0 50 EHAA Cc1nc2sccn2c1CNC(=O)c1oc2ccccc2c1C 1857800409 ARQRKMJTJMBVDN-UHFFFAOYSA-N 325.393 3.689 0 50 EHAA Cc1nnc(-c2ccccc2-c2ccc([C@H]3CNC(=O)C3)cc2)s1 1875244496 MJYFMRDCFVQALE-OAHLLOKOSA-N 335.432 3.784 0 50 EHAA Cc1cc(N2CCC[C@H](NCc3csc4ccccc34)C2)ncn1 2325699974 LJLOYIVXLLLBBL-INIZCTEOSA-N 338.480 3.758 0 50 EHAA Fc1ccc([C@H]2CC[C@@H](n3cc(C4CCNCC4)nn3)C2)cc1F 2325788228 UPZNYFFTMCJQOO-DZGCQCFKSA-N 332.398 3.532 0 50 EHAA O=C(O[C@H](Cc1ccccc1)c1ccccc1)c1ccn2ncnc2c1 2325824903 UYZDPIRFLQMWQT-LJQANCHMSA-N 343.386 3.870 0 50 EHAA C[C@H](CC1CCN(C(=O)Cc2ccc(C3CCC3)cc2)CC1)C(=O)O 2325880145 WTJXWOGDLMGCNE-OAHLLOKOSA-N 343.467 3.846 0 50 EHAA C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC(=O)c1ccc(F)cc1 392689 AIBBTGCHTUPDJO-AWEZNQCLSA-N 340.398 3.976 0 50 EHAA CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C(F)(F)F 2762962 YNQFTTNXDKGPNV-UHFFFAOYSA-N 333.287 3.686 0 50 EHAA CCc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(C)ccc(Cl)c32)cc1 4166131 RADJWYSNQWTVGR-LJQANCHMSA-N 343.810 3.624 0 50 EHAA Cc1c(Br)ccc(NC(=O)CN2CCC(C)CC2)c1C 9096042 FZFYHLNFUHLHID-UHFFFAOYSA-N 339.277 3.736 0 50 EHAA NC(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 11557362 QZARITSZGHZUIF-UHFFFAOYSA-N 330.796 3.906 0 50 EHAA Cc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(C)o1 11754241 PMBFDFNYRHHPFJ-KRWDZBQOSA-N 346.858 3.944 0 50 EHAA Cc1ccc(-c2nnc(-c3nnn(-c4ccccc4C)c3C)o2)cc1 12274027 VCJXMQNOMHSWLZ-UHFFFAOYSA-N 331.379 3.910 0 50 EHAA O=C(c1ccc2ccccc2c1)[C@H]1CCCN(C(=O)c2ccccn2)C1 12574848 VPBDDHSXFDLFLC-IBGZPJMESA-N 344.414 3.970 0 50 EHAA O=C(Nc1sc2c(c1C(=O)NC1CCCC1)CCC2)c1ccco1 13329156 KLUANJOEUOTILI-UHFFFAOYSA-N 344.436 3.755 0 50 EHAA CC(C)(C)c1cc(C(=O)CCN2CCOCC2)cc(C(C)(C)C)c1O 19681989 YKSDUVOHAYRVMV-UHFFFAOYSA-N 347.499 3.892 0 50 EHAA Cc1ccccc1-n1nc(C)c2[nH]c(-c3nc(C)c(C)nc3C)nc21 20539390 DEHBOUMSGBKJJG-UHFFFAOYSA-N 332.411 3.748 0 50 EHAA Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccnc3)c12 22883536 IVNFCLLPDWMWDY-UHFFFAOYSA-N 330.347 3.846 0 50 EHAA COCCN(Cc1ccc(NC(C)=O)cc1)Cc1sccc1C 55343871 OXSSKJNCHVWEAM-UHFFFAOYSA-N 332.469 3.664 0 50 EHAA Cc1cnccc1-n1nc(C(C)C)nc1CSc1ccncc1 65470709 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COc1cc2c(Cl)c(I)cnc2cc1F 165889501 JOLRWGDFPFFFJG-UHFFFAOYSA-N 337.519 3.641 0 50 EHAA CCc1ccc([C@H]2CCCCCN2C(=O)NC2CCC(O)CC2)o1 169992318 PJCOOBOPYHPQRW-VMBOVVBDSA-N 334.460 3.772 0 50 EHAA CCO[C@H]1C[C@@H](N(C)c2ncnc3sc4c(c23)CCC4)C1(C)C 170637151 SXTHSWDMFKTHDH-KGLIPLIRSA-N 331.485 3.820 0 50 EHAA COc1ccc2c(c1)CCN2C(=O)C[C@@H](C)c1ccccc1OC 171166014 HUWRXUWRBVAYOX-CQSZACIVSA-N 325.408 3.787 0 50 EHAA CC(C)CC1(C(=O)N2CCN(c3nc4ccccc4o3)CC2)CCC1 176579143 GQYDFINJVSQWRT-UHFFFAOYSA-N 341.455 3.693 0 50 EHAA C[S@@](=O)C[C@@H](NCc1cc(F)cc2cccnc12)c1ccccc1 183097514 DDNJMNQMCGJQFB-HOYKHHGWSA-N 342.439 3.583 0 50 EHAA CCN(CC)[C@@H](CNc1nnc(-c2ccccn2)s1)c1ccco1 185549842 JTGBVUQKRBJFRL-AWEZNQCLSA-N 343.456 3.688 0 50 EHAA C[C@H]1COCC[C@@H]1C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 194002458 COBIXBOSXLVRJY-FZMZJTMJSA-N 343.345 3.537 0 50 EHAA CN(Cc1ccc2nonc2c1)Cc1ccc([C@@H]2CCCCO2)o1 215217901 VUCZQRKGJZAJHC-KRWDZBQOSA-N 327.384 3.689 0 50 EHAA CCN(Cc1ccncc1)C(=O)[C@@]12C[C@@H]3C[C@@](CC)(C1)C[C@](O)(C3)C2 216377153 ZBZYHPCWFJZGLG-ZIBCJSCZSA-N 342.483 3.542 0 50 EHAA CCc1ccc([C@@H](NC(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)C(C)(C)C)o1 225398884 KKWPXPALZFUFQN-ORDFZIBCSA-N 346.471 3.748 0 50 EHAA COc1ccc(CNC(=O)c2ccc(C)cc2Cl)cc1NC(C)=O 225421783 NYJKFLSHYSOSEC-UHFFFAOYSA-N 346.814 3.545 0 50 EHAA c1ccc(C(CN2CCN(Cc3ccon3)CC2)c2ccccc2)cc1 225514253 BKUMQXBAVBZKRQ-UHFFFAOYSA-N 347.462 3.624 0 50 EHAA Cc1nn(C)c(C)c1CCC(=O)O[C@@H]1CC(C)(C)Oc2ccccc21 225658773 ISEWRLIJVFBHIR-GOSISDBHSA-N 342.439 3.815 0 50 EHAA C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)N[C@H]1CCCC[C@H]1C 241126044 JJCUFNBOHSOTNF-DYEKYZERSA-N 346.452 3.537 0 50 EHAA COc1cccc([C@@H](N[C@H](C)c2nccnc2C)c2ccccn2)c1 242302319 YRKWUEYPRHLTBV-FOIQADDNSA-N 334.423 3.629 0 50 EHAA COCC1(C(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)CCC1 252483701 FHCYDMAQVWEOOC-UHFFFAOYSA-N 341.411 3.678 0 50 EHAA C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)no1 252540413 PJSAADSQEUTVMJ-DFBGVHRSSA-N 329.375 3.585 0 50 EHAA Cc1nscc1C(=O)Nc1cccc2c1CN(c1nccs1)C2 253426800 XQQWTTBETMXIRF-UHFFFAOYSA-N 342.449 3.681 0 50 EHAA C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccn(C2CCCCC2)n1 329938303 LXRYQFOUMPOIAP-OAHLLOKOSA-N 341.455 3.797 0 50 EHAA CC(=O)N(C)c1ccc(C(=O)N2CCCc3ccc(C)c(C)c32)cc1 411087904 DUUYGCHBBSVLGO-UHFFFAOYSA-N 336.435 3.879 0 50 EHAA CN(CCC1(O)CCCC1)C(=O)NCc1cccc(Cl)c1Cl 534647338 RHZCOEYWWWITTH-UHFFFAOYSA-N 345.270 3.830 0 50 EHAA C[C@H]([C@@H]1Cc2ccccc21)N(C)S(=O)(=O)[C@H]1C[C@@H]1c1ccccc1 1875362900 YECHLJHGXQIMOR-YGBSJELFSA-N 341.476 3.533 0 50 EHAA CCC[C@@H]1CN(C(=O)N2C[C@H]3CC[C@H]2C3)CCN1Cc1ccccc1 2325827248 AAIPPSZANINHAU-SLFFLAALSA-N 341.499 3.577 0 50 EHAA CC(C)c1ccc(N2C[C@H](C(=O)Nc3ccccc3F)CC2=O)cc1 313249 FIIRXFFIRVNALL-OAHLLOKOSA-N 340.398 3.941 0 50 EHAA COc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2N)c1 530231 QEICZNHCBBVDDJ-UHFFFAOYSA-N 346.843 3.613 0 50 EHAA COc1ccc([C@@H]2N(c3ccccc3)C(=O)N3CC(C)(C)CN23)cc1 545892 ZQNMXZPFWQFQAL-SFHVURJKSA-N 337.423 3.893 0 50 EHAA CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 581569 DXUWKHUWTQIKDG-UHFFFAOYSA-N 341.816 3.548 0 50 EHAA Cc1[nH]c2c(Br)ccc(Br)c2c1CCN 1235010 RICWQHZGIVWDMG-UHFFFAOYSA-N 332.039 3.503 0 50 EHAA in-vitro O=C(NCCc1c[nH]c2ccccc12)C1(c2ccccc2)CCOCC1 1428710 SNKHZTUIZXPMRN-UHFFFAOYSA-N 348.446 3.575 0 50 EHAA biogenic Cc1c(CN2CCC[C@@H](CCC(=O)NC3CC3)C2)[nH]c2ccccc12 11712644 XNAKHZFSUOIVAF-INIZCTEOSA-N 339.483 3.747 0 50 EHAA OC[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2ccccn2)C1 11937297 QVBIECRXUPVDQP-LJQANCHMSA-N 330.859 3.552 0 50 EHAA O=C(NC1CCC1)c1cc(COc2cccc(C(F)(F)F)c2)on1 12455358 OAONHOQNOHIKAL-UHFFFAOYSA-N 340.301 3.555 0 50 EHAA COc1ccc(Cn2nccc2NC(=O)c2ccccc2Cl)cc1 28404620 CPZWYWKLNMUCAT-UHFFFAOYSA-N 341.798 3.846 0 50 EHAA COc1ccccc1NC(=O)CC(=O)Nc1ccccc1C(C)C 57291846 GVQZMYFSZVPDOT-UHFFFAOYSA-N 326.396 3.786 0 50 EHAA CCN(Cc1noc(C)n1)C(=O)c1cccc(-c2ccccc2F)c1 65396519 CMZBNTXWGCOYTM-UHFFFAOYSA-N 339.370 3.846 0 50 EHAA CC(=O)c1cc(Cc2nc(C(C)C)nn2-c2ccccn2)cs1 65406983 DSJUPNCHNDKPPD-UHFFFAOYSA-N 326.425 3.641 0 50 EHAA Cc1nc2c(c(NCC[C@H](c3ccccc3)c3ccco3)n1)CCNC2 67643135 VAPCKTGPHUORQX-QGZVFWFLSA-N 348.450 3.658 0 50 EHAA COCC1(C(=O)NCc2cccnc2Oc2c(C)cccc2C)CC1 67724181 SJEUZVMCCPVFLM-UHFFFAOYSA-N 340.423 3.534 0 50 EHAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cc(C2CC2)n[nH]1 67946933 PLYRKXQCEOZKOQ-UHFFFAOYSA-N 338.436 3.683 0 50 EHAA CNC(=O)c1ccc(CN2CCC[C@@H](CCc3ccc(F)cc3)C2)o1 72145426 VNNMEDZMGGRBDO-INIZCTEOSA-N 344.430 3.623 0 50 EHAA Cc1ccc([C@H](C)CCN(C)Cc2nc(-c3ccccn3)no2)o1 77439884 OCEZLDDGQFTSKP-CYBMUJFWSA-N 326.400 3.659 0 50 EHAA COc1ccc(-c2ccc(CN3CCN(c4cccnc4)CC3)o2)cc1 77505152 CQBLPRIWJVOJHB-UHFFFAOYSA-N 349.434 3.672 0 50 EHAA Cc1nc(-c2cccc(NC(=O)Cc3ccc(F)cc3Cl)c2)n[nH]1 135078689 GNPQYCMNEAQETF-UHFFFAOYSA-N 344.777 3.754 0 50 EHAA FC(F)(F)Cc1ccc(NCc2noc(C3CCOCC3)n2)cc1 153994766 BRPFULVYWWKTDT-UHFFFAOYSA-N 341.333 3.681 0 50 EHAA COc1cc(F)c(NC(=O)c2csc([C@H]3CCCO3)n2)cc1F 156464000 TWFQUYHMYGNVQB-GFCCVEGCSA-N 340.351 3.534 0 50 EHAA O=C(N[C@@H]1CCCNC1)c1ccc(-c2ccc(Cl)cc2)cc1F 170048066 JIEIZWUKPBHZCQ-OAHLLOKOSA-N 332.806 3.628 0 50 EHAA O=C1CCCN1CC[C@@H]1CN(Cc2cccc(O)c2)c2ccccc21 180778114 WNGGBACFLOFASL-QGZVFWFLSA-N 336.435 3.509 0 50 EHAA Cc1cc(NC(=O)Nc2ccccc2C[S@](C)=O)c(C)c(C)c1O 190283455 MEZIBBTWLANXEL-DEOSSOPVSA-N 346.452 3.840 0 50 EHAA COc1ccc(C(=O)Nc2cnc3ccccc3n2)c(OCC2CC2)c1 191180616 WWBQKQUMFBUAIA-UHFFFAOYSA-N 349.390 3.680 0 50 EHAA Cc1cc([C@@H]2CCCN2Cc2cnc(NCc3ccccc3)nc2)on1 215084454 AGKOTXZNINBONN-SFHVURJKSA-N 349.438 3.722 0 50 EHAA FC(F)Oc1ccc(CN2CCC(CCn3cccn3)CC2)cc1 215116064 CALHCESNQKAVOO-UHFFFAOYSA-N 335.398 3.787 0 50 EHAA COc1cc2c(cc1CN1CC[C@H]1c1ccc(F)cc1)OCCCO2 215522526 BGRXJWBMMXTRGM-KRWDZBQOSA-N 343.398 3.943 0 50 EHAA c1cc([C@@H]2CCCN(Cc3cnc(C4CCCCC4)nc3)C2)ncn1 215661304 CZGKKMOUVKZHGL-GOSISDBHSA-N 337.471 3.694 0 50 EHAA Cc1cc(NC(=O)c2oc3ccc(Br)cc3c2C)n(C)n1 238923839 PLOVDUNJOSUILD-UHFFFAOYSA-N 348.200 3.798 0 50 EHAA C[C@H]1CCC[C@@H](NC(=O)CCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)[C@@H]1C 239164769 MWGNDDNOVIYOIU-NWCWSAAOSA-N 336.520 3.648 0 50 EHAA COc1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1 239229168 UVAJLBOGWSTGNS-ATZDWAIDSA-N 335.403 3.769 0 50 EHAA Cc1nc([C@H]2CCCN2C(=O)c2ccnn2-c2ccccc2)cs1 253421139 QURREJWDFDROJJ-MRXNPFEDSA-N 338.436 3.615 0 50 EHAA COc1ccccc1OC[C@H](C)NC(=O)Nc1c(C)cccc1OC 299780062 IBZGGPGMSHESAT-AWEZNQCLSA-N 344.411 3.601 0 50 EHAA N=c1sc(SCc2ccccc2)nn1CC(=O)c1ccccc1 334159010 XUHOLAPFBCMJDN-UHFFFAOYSA-N 341.461 3.599 0 50 EHAA Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCOC[C@@H]1c1ccco1 375390895 LXCSPHZNRSCXCX-MRXNPFEDSA-N 343.427 3.568 0 50 EHAA Cc1ccc(F)c2c1CCCN2C(=O)c1coc(C2CCOCC2)n1 407977900 VLRAZKLCQZOHCF-UHFFFAOYSA-N 344.386 3.609 0 50 EHAA COC[C@@H](C)NC(=O)c1ccc(-c2ccc(C(F)(F)F)nc2)cc1 426632932 UXYCEKDMLXAEOJ-LLVKDONJSA-N 338.329 3.532 0 50 EHAA Cc1nnc([C@H]2CN(CCc3ccc4ccccc4c3)C[C@@H](C)O2)o1 661932127 NQTLYXVHJIUNFI-AUUYWEPGSA-N 337.423 3.536 0 50 EHAA O[C@@H](CCN1CCC(Oc2ccccc2F)CC1)c1ccccc1 879195512 NUJMDPKTGGOCDO-IBGZPJMESA-N 329.415 3.793 0 50 EHAA Cc1cc(C)n(C[C@@H](C)N(C)Cc2ccccc2CN2CCCC2)n1 1506407832 SCLDRQODGNLUSB-LJQANCHMSA-N 340.515 3.616 0 50 EHAA CO[C@@H](C)c1nnc(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1 1529102008 TZEGPOSSWYGQGX-ZETCQYMHSA-N 346.239 3.734 0 50 EHAA CC1=CC(C)(C)N2C(=O)[C@@](O)([C@H]3CCCCCC3=O)c3cccc1c32 1740816878 YQSVFYREPRJDMI-YCRPNKLZSA-N 339.435 3.566 0 50 EHAA COc1ccc(F)c(F)c1-c1nccn1-c1ccc2ncn(C)c2c1 1772817333 CFAPSKCZNLRLIB-UHFFFAOYSA-N 340.333 3.713 0 50 EHAA Cc1ccc([C@H]2CCC[C@H]2NCCn2cnc3ccccc3c2=O)cc1 1875305206 MJQDYUOMNNJJMB-UYAOXDASSA-N 347.462 3.631 0 50 EHAA C[C@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1ccc2ccccn12 2100482702 RUHTUXNHFGMAMV-CQSZACIVSA-N 336.391 3.544 0 50 EHAA O=C(O[C@H](Cn1cncn1)c1ccccc1)c1ccc2c(c1)CCC=C2 2325710625 LUDJJSZKUUAGEN-HXUWFJFHSA-N 345.402 3.836 0 50 EHAA Nc1cccc(F)c1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 2325782336 PJVCYUXDKULRCG-UHFFFAOYSA-N 348.805 3.745 0 50 EHAA Cc1sc(Br)nc1C(=O)N[C@@H]1CC12CC(C)(C)C2 2325828010 WLXQZYGLIUQCLU-MRVPVSSYSA-N 329.263 3.523 0 50 EHAA c1csc([C@H]2CN(Cc3ccn(C4CNC4)c3)Cc3ccccc32)c1 2325860161 ZYABQBYCPITQHI-FQEVSTJZSA-N 349.503 3.842 0 50 EHAA COc1cccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 82657 AHIRZQVPHCQGPX-UHFFFAOYSA-N 349.312 3.702 0 50 EHAA CC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)c2ccccc2F)cc1 104979 OUVUSWOWYVJWJI-QGZVFWFLSA-N 345.370 3.559 0 50 EHAA O[C@@H](CNCc1ccccc1)Cn1c2ccccc2c2ccccc21 301547 CDKKRSGGFNLVQB-SFHVURJKSA-N 330.431 3.945 0 50 EHAA O=C1CCCC[C@@H]1Oc1ccc2c3c(c(=O)oc2c1)CCCCC3 523798 QPCILIIUPIOWGM-SFHVURJKSA-N 326.392 3.952 0 50 EHAA CCC(=O)n1cc([C@@H]2OC(=O)C(C)(C)C(=O)C2(C)C)c2ccccc21 608972 YRGLGBMNYVGQIA-INIZCTEOSA-N 341.407 3.911 0 50 EHAA CCCOC(=O)c1cccc(NC(=O)COc2cccc(C)c2C)c1 1779714 LSXPJAULLZMZNK-UHFFFAOYSA-N 341.407 3.888 0 50 EHAA O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Cl)s1 2637428 SVYYOEKVIFEJNC-UHFFFAOYSA-N 326.201 3.995 0 50 EHAA O=C(CC(O)(C(F)(F)F)C(F)(F)F)Nc1cccc(Cl)c1 2760538 YIPSGWSWDBUHED-UHFFFAOYSA-N 335.631 3.524 0 50 EHAA Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3F)CC2)c1 9341217 ALEUPTHTSFYBEL-UHFFFAOYSA-N 340.398 3.625 0 50 EHAA Cc1ccccc1CCN1CCC[C@H](CN(C)Cc2nccs2)C1 12711274 SGTCDRBYCANGAO-GOSISDBHSA-N 343.540 3.838 0 50 EHAA c1ccc2c(c1)nc(CN1CCOCC1)n2CCC1CCCCC1 20683408 ZZEIMQXJLXANFQ-UHFFFAOYSA-N 327.472 3.839 0 50 EHAA c1cc(-c2cncnc2)cc(-c2ccn(CCCN3CCCCC3)n2)c1 20784893 KSMGFVATKRTBAZ-UHFFFAOYSA-N 347.466 3.883 0 50 EHAA Cc1cccc2c(=O)n(CCN3CCC[C@H](c4ccccc4)C3)cnc12 43089120 MVYHBXLVEOHAIX-IBGZPJMESA-N 347.462 3.585 0 50 EHAA Cc1noc(C)c1[C@@H]1CCCN1Cc1cccn1-c1nccs1 65422071 HBQDVAKDTBQMCS-HNNXBMFYSA-N 328.441 3.876 0 50 EHAA Cc1cc(C)c(-c2ccc([C@@H](O)CN3CCOCC3)cc2)c(C)c1 65469182 SZPQVWMHVYBZJM-FQEVSTJZSA-N 325.452 3.644 0 50 EHAA Cc1ccc(-c2cc(O)c3c(c2)CN(CC(F)F)CCO3)s1 67739843 GWUAJNGZJAOQOU-UHFFFAOYSA-N 325.380 3.889 0 50 EHAA O=C(NCC[C@H]1CCCN(Cc2ccncc2)C1)Nc1ccccc1 67805161 LYNKPAQJKLNGBD-QGZVFWFLSA-N 338.455 3.505 0 50 EHAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3scnc3C)C2)cc1 77392332 ADVIKJYIMODRFR-HNNXBMFYSA-N 330.453 3.691 0 50 EHAA CC(C)n1ccnc1CN1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 77407499 MAEPMPILBHNLDF-MRXNPFEDSA-N 327.407 3.817 0 50 EHAA O=C(c1ccc2[nH]ccc2c1)N1CCC(Oc2ccc(F)cc2)CC1 77439813 ARDKSKRIPZLEDL-UHFFFAOYSA-N 338.382 3.991 0 50 EHAA CN1CCCCC[C@H]1C(=O)NCCc1cccc(Cl)c1Cl 95373732 YWJBBDKHGBAHQY-AWEZNQCLSA-N 329.271 3.527 0 50 EHAA COC(=O)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 95527449 XBONGDYOTLZCNP-GOSISDBHSA-N 345.487 3.695 0 50 EHAA O=C1CCc2cc(C(=O)N3CCC[C@H]3c3ccccc3)c(F)cc2N1 134692568 WIXAVCVUTUXKQO-SFHVURJKSA-N 338.382 3.688 0 50 EHAA CC(C)c1noc(CC2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 169754778 DMDIOFZJODIPGV-UHFFFAOYSA-N 347.846 3.941 0 50 EHAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 174852479 RCNGTAFXUDLHFY-XLIONFOSSA-N 334.419 3.896 0 50 EHAA O=C(c1ccc(C(F)(F)F)nc1)N(c1ccccc1)[C@@H]1CCOC1 192064935 KSGBYXUNZUIDEP-CQSZACIVSA-N 336.313 3.536 0 50 EHAA CC[C@@H](C(=O)Nc1ccccc1C[S@](C)=O)c1ccc(OC)cc1 192590929 OIKPAPUZHZXABH-OSPHWJPCSA-N 345.464 3.706 0 50 EHAA Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 221762131 SYUCJALZQFKSLM-WEFJBSGNSA-N 339.483 3.853 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c(Cl)c1 225393007 JACIWJSHBCKFDA-UHFFFAOYSA-N 328.821 3.735 0 50 EHAA CCC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1cccc(O)c1OC 225495298 MDLPBEHAKYCONU-KRWDZBQOSA-N 338.407 3.797 0 50 EHAA COc1cc(CN[C@@]2(CO)CCCc3ccccc32)ccc1SC 225648544 QOHJUEZUGYCHBI-HXUWFJFHSA-N 343.492 3.731 0 50 EHAA Cc1nc2cc(C(=O)N[C@@H]3COC4(CCCCC4)C3)ccc2s1 244816956 SRSKXTUSCBHCJE-AWEZNQCLSA-N 330.453 3.826 0 50 EHAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCC(n2cccc2)CC1 249695907 RVDFPKGOWQBTKD-GHBBCFCZSA-N 343.515 3.695 0 50 EHAA CC[S@](=O)[C@@H]1CCCC[C@@H]1N[C@H](C)c1ccc(F)c(OC)c1 252487145 SNRAKAZNSPVVCI-IUMUCNKYSA-N 327.465 3.565 0 50 EHAA O=C(c1cnn(-c2cccnc2)c1)N1CCC[C@H]1/C=C/c1ccccc1 253424774 BPEQSSSSUYVWRU-VYENPZKTSA-N 344.418 3.585 0 50 EHAA Fc1ccc([C@@H](N[C@H]2CCOc3ccccc32)c2cnccn2)cc1 253431954 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Cc1csc([C@H]2CCCCN2C(=O)c2onc3c2CCCC3)n1 668082542 PZDWYTQGHKHGSO-CQSZACIVSA-N 331.441 3.686 0 50 EHAA CC(C)c1nnc(N2CCC(c3nc4ccccc4n3C)CC2)s1 670472614 WPSULLVQIXPCLV-UHFFFAOYSA-N 341.484 3.932 0 50 EHAA CCCc1cnc(C)nc1N1CCC([C@@H](O)c2cccs2)CC1 1506424874 CVCBZQDDBCPZQW-QGZVFWFLSA-N 331.485 3.749 0 50 EHAA CCC(=O)N[C@H](C(=O)N1CC[C@H](CC2CCCC2)C1)c1ccccc1 1875265161 WAQSTLMIIQRXGC-XLIONFOSSA-N 342.483 3.683 0 50 EHAA Cc1cc(CN2CCC([C@H](CC(=O)O)c3ccccc3)CC2)ccn1 1875270518 CBDRZFFVKFRFLE-HXUWFJFHSA-N 338.451 3.861 0 50 EHAA CC[C@@](O)(C(=O)Nc1nc2c(s1)CCC2(C)C)c1ccccc1 1875327250 RPDQEPAACICIKL-SFHVURJKSA-N 330.453 3.603 0 50 EHAA Cc1cnc(Cl)cc1NC(=O)N=c1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH][nH]1 2325840500 CMYNVEJRACGRNK-SRVKXCTJSA-N 345.834 3.736 0 50 EHAA OCc1cnn(Cc2ccc(-c3ccc(C(F)(F)F)cc3O)cc2)c1 2325843703 MXVHCXJYPUBJBQ-UHFFFAOYSA-N 348.324 3.815 0 50 EHAA CC(C)(C)[C@@H]1CCc2sc(C(=O)NC3CC4(CC(N)C4)C3)cc2C1 2325865059 LLLGWRBTQUGDPZ-HIXHZGSFSA-N 346.540 3.899 0 50 EHAA CC(C)Cc1nc(CN2CC[C@H](c3ccccc3)CCC2=O)no1 2356137221 SPTLINOAMNRCEI-MRXNPFEDSA-N 327.428 3.564 0 50 EHAA CC(C)N(CCc1c[nH]c2ccccc12)Cc1ccn2ncnc2c1 2356139343 WFDAJSAKPMFNPJ-UHFFFAOYSA-N 333.439 3.664 0 50 EHAA CCN1CCN(c2ncnc3scc(-c4ccc(C)cc4)c23)CC1 98376 FVQSLGOIPCCJHC-UHFFFAOYSA-N 338.480 3.809 0 50 EHAA Cc1cccnc1NC(=S)NC(=O)c1oc2ccccc2c1C 180581 FGHQJHHABHZJAJ-UHFFFAOYSA-N 325.393 3.571 0 50 EHAA CSc1nnc2c(n1)O[C@H](c1ccc(C)o1)Nc1ccccc1-2 335937 ZEHCBDOQATZLNB-CQSZACIVSA-N 326.381 3.665 0 50 EHAA CCOc1ccc(C(=O)NC(=S)Nc2c(C)cccc2C)cc1 454046 XOVCZJYSWJHVOH-UHFFFAOYSA-N 328.437 3.829 0 50 EHAA Nc1cc(C(F)(F)F)cn(Cc2c(Cl)cccc2Cl)c1=O 1400112 JVBREALHAYEUNG-UHFFFAOYSA-N 337.128 3.804 0 50 EHAA COC(=O)c1ccccc1NC(=O)CCCOc1ccccc1C 1772490 FTPLDUOXYFIFJT-UHFFFAOYSA-N 327.380 3.579 0 50 EHAA O[C@@H](Cn1nnc2ccccc21)Cn1c2ccccc2c2ccccc21 2291733 RLRSSTDKZZQAGJ-OAHLLOKOSA-N 342.402 3.600 0 50 EHAA CCCCc1ccc(NC(=S)N2CCN(C(=O)OCC)CC2)cc1 2836685 AIXLBYYCNAGIEU-UHFFFAOYSA-N 349.500 3.500 0 50 EHAA CCCCOc1ccc(C(=O)NCCOc2ccccc2C)cc1 3132024 RBLHAISLGYYYBG-UHFFFAOYSA-N 327.424 3.983 0 50 EHAA CCOCCOc1ccccc1NC(=O)COc1ccc(CC)cc1 10506589 QTAXVZRZLQTAOR-UHFFFAOYSA-N 343.423 3.682 0 50 EHAA CCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2ccc(F)cc2)c1 11841125 QVAHFIOFJYPZGT-SFHVURJKSA-N 340.398 3.832 0 50 EHAA CC(C)Oc1ccc(C(=O)Nc2nccs2)cc1Br 12137740 XYZADRLBMYGJDI-UHFFFAOYSA-N 341.230 3.945 0 50 EHAA O=C(c1ccoc1)N1CCC[C@@](CO)(CCCc2ccccc2)C1 12298898 RVTGKUBXCGPEJA-FQEVSTJZSA-N 327.424 3.517 0 50 EHAA CN(Cc1cn(C)nc1-c1cccc(Cl)c1)C[C@@H]1CCCCO1 12314835 BDSFAKYLCPRPRS-KRWDZBQOSA-N 333.863 3.741 0 50 EHAA Cc1cc(C(=O)Nc2ccccc2I)cs1 13325704 QQERJNBOQPETBD-UHFFFAOYSA-N 343.189 3.913 0 50 EHAA Cc1cccc(Cn2ccc(-c3cccc(-c4cnn(C)c4)c3)n2)n1 20200958 QVXXLSNPISEXAG-UHFFFAOYSA-N 329.407 3.702 0 50 EHAA COCCN(Cc1cccs1)C(=O)Cc1c(C)[nH]c2ccccc12 45341274 XBSXVLOXFJUWHM-UHFFFAOYSA-N 342.464 3.756 0 50 EHAA Cn1c([C@@H]2c3nc[nH]c3CCN2Cc2ccco2)cc2ccccc21 72152384 QFADXKIGBRMYKC-HXUWFJFHSA-N 332.407 3.642 0 50 EHAA COc1ccccc1-c1ccc(C(=O)N2CC(c3ccncc3)C2)cc1 72156427 XHPHOVAWBDXXAV-UHFFFAOYSA-N 344.414 3.997 0 50 EHAA COc1nc(C)c(C(=O)N2CCC[C@H](c3cccc(C)c3)C2)s1 77521969 VQAWAMQGBQYJCL-HNNXBMFYSA-N 330.453 3.788 0 50 EHAA CC(C)Cc1cc(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)on1 91724371 SGNCWEQVGJOVED-QZTJIDSGSA-N 342.439 3.741 0 50 EHAA O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2C12CC2 101376722 ABXRCSKKLJPHJQ-MHWZDGSBSA-N 334.202 3.695 0 50 EHAA CSCc1cccc(NC(=O)c2cn(-c3ccc(F)cc3)nn2)c1 109232898 MRDAJOXTWTWARL-UHFFFAOYSA-N 342.399 3.522 0 50 EHAA CC(C)(C)OC(=O)N[C@@H]1CCc2cc(Br)ccc2C1 115897835 UZFURLOGNBMQCD-CYBMUJFWSA-N 326.234 3.831 0 50 EHAA COc1ccc(OC(C)C)c(NC(=O)[C@@H]2OCCc3ccccc32)c1 119731864 CWHBCRUKZKASRV-LJQANCHMSA-N 341.407 3.735 0 50 EHAA O=C(NCc1nc2ccccc2s1)c1ccn(C2CCCC2)n1 126817069 WLCIGCVNKSYMBY-UHFFFAOYSA-N 326.425 3.538 0 50 EHAA Clc1nc(NC2CCCCC2)c2ncn([C@@H]3CCCCO3)c2n1 146603479 ISVXNEFJIRHZHT-LBPRGKRZSA-N 335.839 3.923 0 50 EHAA O=C(C[C@H]1COCCN1Cc1csc(C2CC2)n1)c1cccs1 154447163 QNOKSIJXVYPZDL-AWEZNQCLSA-N 348.493 3.556 0 50 EHAA CO[C@@H]1CCCC[C@@H]1OC(=O)c1cc(C)n(-c2nccs2)c1C 170593112 SRMBAZHBHCFWHK-CABCVRRESA-N 334.441 3.665 0 50 EHAA CCc1noc(C2CCC(NC[C@H]3CCO[C@@H]3C(C)(C)C)CC2)n1 190420660 WCPCATAUHJBAKV-BJDYSFLHSA-N 335.492 3.699 0 50 EHAA COc1cccc2c1CC[C@@H](NCc1ccn(C3CCCC3)n1)C2 192445887 UHDXMPLCSFLLGK-MRXNPFEDSA-N 325.456 3.654 0 50 EHAA CC(C)c1cccc(-c2ccc(C(=O)N3C[C@@H]4CN(C)C[C@@H]4C3)o2)c1 192501731 RQBPLAXULNZSII-HDICACEKSA-N 338.451 3.704 0 50 EHAA O=C(N/N=C/c1ccc(Cl)cc1)Nc1cccc2nsnc12 211924283 PBOWFZPWNGOSLT-LZYBPNLTSA-N 331.788 3.500 0 50 EHAA COC[C@@H](c1ccccn1)N(C)C(=O)CC(C)(C)c1ccccc1 214999259 XVENMZCWUBGBOZ-SFHVURJKSA-N 326.440 3.595 0 50 EHAA CN1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)nc2)CC1 215123790 ZEQHQASIDVBGFJ-UHFFFAOYSA-N 335.373 3.515 0 50 EHAA COC[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)c1ccccn1 220091970 FIOYYRAKAOQDDX-MRXNPFEDSA-N 338.363 3.584 0 50 EHAA Cc1cccc(C[C@H](C)NC(=O)C2(N3CCCCC3)CCCCC2)n1 221278293 XQLKVRAKJMCRMQ-SFHVURJKSA-N 343.515 3.626 0 50 EHAA Cc1nc2c(n1[C@@H]1CCN(c3nc4cc(F)ccc4o3)C1)CCCC2 275366167 NGJXHYNJJXBHQI-CQSZACIVSA-N 340.402 3.802 0 50 EHAA CC(C)N(C)Cc1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299796542 RAGWXHLHJHYIOX-KSZLIROESA-N 340.471 3.603 0 50 EHAA CC(C)c1ccc(C(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c(O)c1 408410054 IPZFLRUVMSXMGX-FDPIWHGQSA-N 345.483 3.917 0 50 EHAA CSc1cccc(CN(C)C(=O)N[C@H](C)CCCC(C)(C)O)c1 426628098 ASSOXEZJIMOUFW-CQSZACIVSA-N 338.517 3.880 0 50 EHAA C[C@@H](NC[C@@](C)(O)c1ccsc1)c1cc(-c2ccccc2)no1 863982691 YSZNJQHONSPHND-FZKQIMNGSA-N 328.437 3.961 0 50 EHAA C[C@@H](Cc1nc(-c2ccc(Oc3ccccc3)nc2)no1)n1cccn1 904447247 MWLFXDYORXIVLN-AWEZNQCLSA-N 347.378 3.924 0 50 EHAA O=C(c1ccc(OC2CCC2)cc1Cl)N1CC[C@H](OC(F)F)C1 952845188 HRIMGYDWGGIUMU-LBPRGKRZSA-N 345.773 3.725 0 50 EHAA CCSc1ccccc1NC(=O)[C@H]1CCCN(C2CCOCC2)C1 952869973 RTCXGUWAYTZPBM-HNNXBMFYSA-N 348.512 3.628 0 50 EHAA Cc1ccc(CC(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)cc1 1857678386 XDTBKVYIYDAYAM-XJUOHMSHSA-N 349.474 3.522 0 50 EHAA c1cncc(-c2nc(N3CC[C@]4(CCCCO4)C3)c3ccccc3n2)c1 1875299494 MUUKPXGPPJXUHV-OAQYLSRUSA-N 346.434 3.841 0 50 EHAA C[C@H]1[C@@H](NC(=O)c2ccccc2Cl)CCCN1Cc1ccccn1 1875302961 PJCYKCPYWLAZQP-KSSFIOAISA-N 343.858 3.518 0 50 EHAA CC(C)(C)[C@@H]1C[C@H](SCc2csc(C(F)(F)F)n2)C(=O)N1 1875304716 RODKANBCBUPYQE-IUCAKERBSA-N 338.420 3.698 0 50 EHAA CC[C@](O)(C(=O)Nc1nc2c(s1)CCC2(C)C)c1ccccc1 1875327249 RPDQEPAACICIKL-GOSISDBHSA-N 330.453 3.603 0 50 EHAA COC(=O)c1nc2c(c(Oc3cccc(C(F)(F)F)c3)n1)CCC2 2325780577 WKFVRSFHNGISQL-UHFFFAOYSA-N 338.285 3.563 0 50 EHAA O=C(CCNc1ccc(Br)cc1)c1ccc2c(c1)OCO2 39212 CXDNOLKOYOVSSH-UHFFFAOYSA-N 348.196 3.863 0 50 EHAA biogenic,in-vitro Cc1ccc(Cl)c(OC[C@@H](O)Cn2c(C)nc3ccccc32)c1 243126 INPRQQRGDIPOLY-AWEZNQCLSA-N 330.815 3.746 0 50 EHAA COc1ccc(C(=O)N2C[C@H](c3ccc(Cl)cc3)CC2=O)cc1 272463 UGMOFEZUZCRWSE-CQSZACIVSA-N 329.783 3.505 0 50 EHAA COc1cccc(-c2cc(C(=O)Nc3cccnc3Cl)no2)c1 423695 RCKVTRPSWCVVJM-UHFFFAOYSA-N 329.743 3.651 0 50 EHAA CCOC(=O)c1c(NC(=O)CC(C)C)sc2c1CC(C)(C)OC2 470999 BTKLCOVEBNWEFD-UHFFFAOYSA-N 339.457 3.761 0 50 EHAA O=C(COc1ccc(F)cc1)Nc1nnc(C2CCCCC2)s1 1278665 NCPLCZQJGUKVER-UHFFFAOYSA-N 335.404 3.742 0 50 EHAA CCCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1ccccc1Cl 2935779 MNEOWMMIRDPASH-HNNXBMFYSA-N 336.819 3.653 0 50 EHAA CCN(CC)C(=S)SCC(=O)c1ccc(Br)cc1 2992580 OZSXZRLHMYUURE-UHFFFAOYSA-N 346.315 3.992 0 50 EHAA O=C(NCc1nc(-c2ccccc2)no1)c1cccc2ccccc12 4851404 XFAOXCJEACQODZ-UHFFFAOYSA-N 329.359 3.820 0 50 EHAA CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 9259198 XXBHSYDLVRHPPG-CVEARBPZSA-N 346.427 3.501 0 50 EHAA O=C(CCc1ccccc1)Nc1cccc(OC[C@H]2CCCO2)c1 10296598 RMKNEFHRNFCXSW-LJQANCHMSA-N 325.408 3.816 0 50 EHAA CCOc1ccc(NC(=S)N[C@H](C)c2cnn(CC)c2C)cc1 13745712 RLJWPSHQQAUEHQ-GFCCVEGCSA-N 332.473 3.658 0 50 EHAA CC1=C(C)C[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2C1 16247975 KXCHBLHOXKENCH-OKILXGFUSA-N 334.213 3.685 0 50 EHAA OCC[C@H]1CN(C/C=C/c2ccccc2)CCN1CC1CCCCC1 20255646 GOFVKQIQHMNQQN-CGIBVWHJSA-N 342.527 3.649 0 50 EHAA COc1ccccc1Cn1ncc2c1NC(=O)C[C@H]2Cc1ccccc1 65436132 ODRFEPKENVLUPV-QGZVFWFLSA-N 347.418 3.609 0 50 EHAA CCc1nc(C)sc1CNc1cc(C)nc(-c2cccnc2)n1 65468622 QLGFYFVSTFRHTG-UHFFFAOYSA-N 325.441 3.786 0 50 EHAA CCCCCN1CCc2nc[nH]c2[C@H]1c1ccc(NC(C)=O)cc1 67432862 HKQXWMQZEKWVAL-LJQANCHMSA-N 326.444 3.506 0 50 EHAA COc1ccccc1-c1cc(Cn2cc(-c3ccc(C)o3)nn2)on1 67884247 JVNBVWPIDRIMJO-UHFFFAOYSA-N 336.351 3.558 0 50 EHAA CCc1cn[nH]c1[C@H]1CCCN(C(=O)C2(c3ccc(C)cc3)CC2)C1 67948124 UBGCPPIDDUMPFS-KRWDZBQOSA-N 337.467 3.718 0 50 EHAA COc1ccc(CN2CC[C@@H](c3ccccc3C(=O)O)C2)c(C)c1C 72145216 RWWDMKXGMJYCFH-QGZVFWFLSA-N 339.435 4.000 0 50 EHAA CC(=O)NCC[C@H]1CCCCN1Cc1cc(F)ccc1C(F)(F)F 72162823 ZXKNXPDIRSLLJK-OAHLLOKOSA-N 346.368 3.725 0 50 EHAA CN(C)C(=O)c1ccc(N2CCC[C@H](CCc3ccccc3)C2)nc1 72481396 AYHLMYBWJBLTCK-GOSISDBHSA-N 337.467 3.633 0 50 EHAA Cc1ccccc1-c1c[nH]nc1C1CCN(C[C@@H]2CCOC2)CC1 77287699 KWBIOVMELDUGSM-INIZCTEOSA-N 325.456 3.601 0 50 EHAA CCc1csc(CNC(=O)c2csc(-c3cccs3)n2)n1 82087886 BEPTWYNJOJKVTJ-UHFFFAOYSA-N 335.479 3.821 0 50 EHAA Cc1ccc([C@H]2CN(c3nccs3)[C@@H]3C4CCN(CC4)[C@H]23)cc1 95356681 OCHFGPDHGKHHAJ-KZNAEPCWSA-N 325.481 3.518 0 50 EHAA c1ccc(-c2cc(CNc3nccc(-c4cccnc4)n3)[nH]n2)cc1 96132422 REUDSIOHKKSUPG-UHFFFAOYSA-N 328.379 3.541 0 50 EHAA O=C(C[C@H]1OCCc2ccccc21)Nc1ccccc1-n1ccnc1 115329819 JKLRDENLDBLSPL-LJQANCHMSA-N 333.391 3.515 0 50 EHAA C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(F)c(O)c(Cl)c2)C1 192481419 INYRTSFDJDOTSR-BONVTDFDSA-N 334.778 3.803 0 50 EHAA Cc1ccc(N2CCC(C(=O)Nc3ccc4cc[nH]c4c3)CC2)nc1 194823751 OGVIOIOLNJJXMJ-UHFFFAOYSA-N 334.423 3.726 0 50 EHAA CC(C)c1nccc(CN2CCC(OCc3ccccc3)CC2)n1 215948745 OEGJARUKJBGKKJ-UHFFFAOYSA-N 325.456 3.781 0 50 EHAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1ccccc1SC 222460916 UMDVTMFXKZMEJE-UHFFFAOYSA-N 331.441 3.721 0 50 EHAA Nc1cccc(CSc2nnc(COc3ccccc3Cl)o2)n1 225449205 OANYBJUNFNOEON-UHFFFAOYSA-N 348.815 3.572 0 50 EHAA O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1CC[C@H](CO)C1 225484906 CSJIYMYFJZIJOM-ZDUSSCGKSA-N 330.815 3.853 0 50 EHAA C[C@@H](Cc1cccc(C(F)(F)F)c1)N[C@@H](CO)Cc1ccccc1 225604767 LTITXHWIJMVMFX-KBXCAEBGSA-N 337.385 3.830 0 50 EHAA C[C@H]1C[C@H](NC(=O)N[C@H](Cc2ccccc2)C(C)(C)C)C[C@@H](C)O1 241588148 PABXYZGAAPVYDW-CYGHRXIMSA-N 332.488 3.899 0 50 EHAA Fc1ccc([C@H](N[C@@H]2CCN3CCC[C@H]3C2)c2cccnc2)cc1 253370582 SQDVGCZMAIJVAC-AABGKKOBSA-N 325.431 3.527 0 50 EHAA CC(C)(C)c1cnc(CN[C@H]2CCO[C@]3(CCSC3)C2)s1 253429620 UHFWLFGXIAUDFG-BLLLJJGKSA-N 326.531 3.585 0 50 EHAA C[C@@H]1C[C@H](C(=O)NC(C)(C)c2ccccc2Br)CCO1 272070607 LHDKYRDIYHPVON-VXGBXAGGSA-N 340.261 3.616 0 50 EHAA Cc1cc(O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cc(C)c1Cl 331193427 XBHXJPSQEXEFHS-ZDUSSCGKSA-N 335.835 3.713 0 50 EHAA Cc1ccc(Cl)c2ccc(NC(=O)C3(CF)CCOCC3)nc12 332577265 DAXHLCSJKSJDAE-UHFFFAOYSA-N 336.794 3.901 0 50 EHAA CN(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1C(F)(F)F 341300253 XALFVEFKYCCEMR-UHFFFAOYSA-N 343.370 3.745 0 50 EHAA C[C@H](C(=O)Nc1ncccc1CN1CCc2ccccc2CC1)C1CC1 368555147 PILMIESRYWWQPI-INIZCTEOSA-N 349.478 3.667 0 50 EHAA COc1ccc([C@@H](C)NC2CCN(Cc3ccccn3)CC2)c(C)c1 414075648 PGPQOTPJJGCPJS-QGZVFWFLSA-N 339.483 3.714 0 50 EHAA NC[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2Cl)cc1 426465438 KRCDSRVDNKENAM-INIZCTEOSA-N 328.843 3.960 0 50 EHAA O=C(Cc1c(F)cccc1Cl)Nc1c[nH]nc1-c1nccs1 446603753 JMULWKJIVBZIEH-UHFFFAOYSA-N 336.779 3.507 0 50 EHAA Cc1ccc(NC(=O)c2cnn(C(C)C)c2)cc1NC(=O)C(C)C 820636644 HMBGHCIRHALTLR-UHFFFAOYSA-N 328.416 3.619 0 50 EHAA O[C@@H](CN1CCC(c2ccncn2)CC1)c1cccc2ccccc12 839621905 KHMBIEXEXIANLG-NRFANRHFSA-N 333.435 3.543 0 50 EHAA Cc1ncc(COC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)o1 851446020 VIQYAGSFHRNPSW-UONOGXRCSA-N 336.185 3.592 0 50 EHAA Cc1ncc(CN(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)o1 862252008 AUAOJRSYOCEMJQ-QFIPXVFZSA-N 348.446 3.819 0 50 EHAA COc1c(Cl)cc(-c2nnc([C@H]3CCCOC3)o2)cc1Cl 886044656 IASQCOANRAPLTI-QMMMGPOBSA-N 329.183 3.946 0 50 EHAA Cn1nccc1[C@H]1CN(Cc2cc(Cl)cc3ccccc23)CCO1 933546372 YXXFJTNQFJHZEA-LJQANCHMSA-N 341.842 3.800 0 50 EHAA O=C(c1ccc(-c2cc(Cl)c(O)cc2F)nc1)N1CCCCC1 1772705835 SDGHHLSQAOKVKK-UHFFFAOYSA-N 334.778 3.873 0 50 EHAA Cn1nc(-c2ccccc2)c2c1CCN(C(=O)CCC1(C)CC1)CC2 1857675899 HEIPXWDTXDVMRL-UHFFFAOYSA-N 337.467 3.595 0 50 EHAA Cn1ccc(CSCc2ccn(-c3ccccc3Cl)n2)cc1=O 1875316748 DWMYHVBKPLANCG-UHFFFAOYSA-N 345.855 3.658 0 50 EHAA Cc1ccc2nc(C3CC3)cc(C(=O)NCC[C@H](O)C3CCC3)c2c1 1875358166 MEMMXDLAMGNJGV-FQEVSTJZSA-N 338.451 3.702 0 50 EHAA Cc1cc(C)c(NC(=O)C2=C(C(=O)O)CCC2)c(Br)c1 2325770646 RUVZMBBTXKWSAZ-UHFFFAOYSA-N 338.201 3.570 0 50 EHAA Cc1ccc(OCCCNC(=O)[C@@H]2C[C@H]2c2ccncc2Cl)cc1 2325776163 XWYSBBHZMPXUIK-DLBZAZTESA-N 344.842 3.732 0 50 EHAA CCN(CC(=O)c1[nH]c(C)c(C(C)=O)c1C)c1ccc(F)c(C)c1 2325853195 HGZKNLHBOUNCQO-UHFFFAOYSA-N 330.403 3.991 0 50 EHAA C[C@@H](NC(=O)Nc1ccc2ncnc(O)c2c1)c1cc2ccccc2o1 2325879429 VLILDICJPSRMCZ-LLVKDONJSA-N 348.362 3.964 0 50 EHAA CCCCOc1ccccc1C(=O)N1C[C@@H]2[C@@H](CCC[C@@]2(O)CC)C1 2356139107 AGUNTRUUNZORNR-CDXJDZJCSA-N 345.483 3.879 0 50 EHAA Cc1c(OC(=O)c2cccs2)ccc2c3c(c(=O)oc12)CCC3 200946 SSDVBDUEPWSJDS-UHFFFAOYSA-N 326.373 3.871 0 50 EHAA Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)nc1-c1ccccc1 204909 OAJOTIZEIAAZEE-KBPBESRZSA-N 344.436 3.948 0 50 EHAA S=C(Nc1ccc2nccnc2c1)N1CC[C@H](c2ccccc2)C1 303170 KCQDKXJMYPQRQW-HNNXBMFYSA-N 334.448 3.816 0 50 EHAA O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccs1 443699 WHPSNMFAJZMWDQ-UHFFFAOYSA-N 348.383 3.801 0 50 EHAA CCc1nc2ccc(Br)cc2c(=O)n1-c1ccc(F)cc1 475688 XMKRMIVDJQASCL-UHFFFAOYSA-N 347.187 3.850 0 50 EHAA Cc1ccc2c(c1)c1c(n2C[C@@H](O)CN2CCC(C)CC2)CCCC1 571506 DWCJGYVSROLRDX-SFHVURJKSA-N 340.511 3.921 0 50 EHAA COc1ccc(CCC(=O)Nc2nc3ccc(OC)cc3s2)cc1 2763320 RXPVZUJVYCOGMK-UHFFFAOYSA-N 342.420 3.885 0 50 EHAA CCCOc1ccccc1[C@H]1CC(=O)Nc2cc(OC)c(OC)cc21 2890162 CCOPVBFUNMAZGI-CQSZACIVSA-N 341.407 3.967 0 50 EHAA CCOC(=O)c1c(NC(=O)COc2ccccc2)sc(C)c1C 2909541 WJBLDMFEMYVNOM-UHFFFAOYSA-N 333.409 3.559 0 50 EHAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)C[C@@H]2OC(=O)C(Cl)(Cl)Cl 3865365 FMKGPXSVDZSZAP-BPTDKIDVSA-N 343.634 3.569 0 50 EHAA O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccccc1F 4033169 HWSDOIOSLOYVET-UHFFFAOYSA-N 332.338 3.788 0 50 EHAA Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C(C)C)cc1 4816445 JASFKMXNPQWQMO-UHFFFAOYSA-N 335.411 3.557 0 50 EHAA O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccccc1)N1CCCCC1 5049366 KIBFEGUFVBIKGE-IFMALSPDSA-N 348.446 3.939 0 50 EHAA O[C@H](CSc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 5756631 LOHDKFRGTXLQIA-ZCFIWIBFSA-N 325.661 3.769 0 50 EHAA O=C(COCc1cc(-c2cccs2)on1)Nc1ccc(F)cc1 6876576 QREJWRGYCKPGDU-UHFFFAOYSA-N 332.356 3.698 0 50 EHAA O=C(CCc1ccccc1)N[C@@H]1CCCN(C2CCCCCC2)C1 11661418 NPTMKDMCHHXZQH-LJQANCHMSA-N 328.500 3.923 0 50 EHAA COC(=O)c1c(NC(=S)N2CCC(C)CC2)sc(C)c1C 17066861 QZMZQERZZZZMPO-UHFFFAOYSA-N 326.487 3.580 0 50 EHAA O=C(Cn1cnc(Cl)c1Cl)Nc1ccnn1C1CCCCC1 48071968 GEVFBHYEKAUMRO-UHFFFAOYSA-N 342.230 3.530 0 50 EHAA COc1ccc([C@@H](C)n2ccnc2-c2cnc(N3CCCC3)nc2)cc1 71748336 GIWCRCJWZPIDPM-OAHLLOKOSA-N 349.438 3.558 0 50 EHAA c1ccc2c(-c3nc4c(c(N5CCCCCC5)n3)CNC4)c[nH]c2c1 72171585 RTBZCHLFCPBTJA-UHFFFAOYSA-N 333.439 3.609 0 50 EHAA Cc1ccc(Oc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)nn1 72437006 OCCYSIDYEVVATL-UHFFFAOYSA-N 349.346 3.558 0 50 EHAA C[C@@H](Cc1cncs1)NC(=O)COc1ccc(Cl)cc1Cl 91493119 YVTKLHOSVBRSIR-VIFPVBQESA-N 345.251 3.576 0 50 EHAA CCCCn1ccnc1[C@H]1CCCN(C(=O)NCc2ccccc2)C1 95378522 JXESTHDNQCVRDZ-SFHVURJKSA-N 340.471 3.772 0 50 EHAA Cc1cccc(CSCCCNC(=O)[C@@H]2CCCCCN2C)c1 95383199 GYXFMXXBGUFCGS-SFHVURJKSA-N 334.529 3.609 0 50 EHAA CCOc1ccccc1NC(=O)NCc1csc(CSC)n1 96137875 LQLVOQAENXRKBB-UHFFFAOYSA-N 337.470 3.727 0 50 EHAA Cc1noc(C)c1CCc1nc(C2CCCC2)nn1CC(F)(F)F 96141386 FBCVUWCPIDHZCP-UHFFFAOYSA-N 342.365 3.888 0 50 EHAA Cc1noc(C)c1CCCNC(=O)Nc1ccc2ncsc2c1 96179556 LJBIGFOROMPCDW-UHFFFAOYSA-N 330.413 3.655 0 50 EHAA CCc1n[nH]c(C(=O)N(Cc2ccccn2)C2CCCCC2)c1C 97288711 IMCVBNBXXQPPKX-UHFFFAOYSA-N 326.444 3.651 0 50 EHAA O=C(NCCCSC1CCCCC1)c1ccccc1-c1nc[nH]n1 97425575 KGWJHTMCLOMNAC-UHFFFAOYSA-N 344.484 3.658 0 50 EHAA O[C@]12CCCC[C@H]1CN(Cc1cnn(-c3ccccc3Cl)c1)CC2 97675385 IOCMLNOJOGIUEW-LPHOPBHVSA-N 345.874 3.653 0 50 EHAA CC(C)(C)OC(=O)N[C@H]1CC[C@H](N[C@H]2CCCc3cccnc32)CC1 100009785 IUOWKWOLHMLRTR-BBWFWOEESA-N 345.487 3.885 0 50 EHAA O=C(CCc1ccccc1)N(c1cccc(F)c1)C1CCOCC1 150940173 SJJOFVSAJCNBTP-UHFFFAOYSA-N 327.399 3.971 0 50 EHAA COc1ccc(Cl)cc1C(=O)NCc1nc(-c2cccs2)c[nH]1 170597713 QLEXQRXBVAZINE-UHFFFAOYSA-N 347.827 3.730 0 50 EHAA Cc1cnc([C@@H](C)NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)s1 177921351 MPUWLNQCACCQGN-PWSUYJOCSA-N 336.844 3.533 0 50 EHAA FC(F)(F)c1ccnc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 183972486 NVXIZABBDDUNNL-LBPRGKRZSA-N 343.736 3.727 0 50 EHAA C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1cn(C)c2ccccc12 184778877 YAMRJNRPDVMKGN-ZDUSSCGKSA-N 336.391 3.692 0 50 EHAA Cc1ccn(C)c1C(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 189035613 HHJSXTNNSUYTDZ-UHFFFAOYSA-N 337.398 3.883 0 50 EHAA C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](c2ccccc2)C1 229719883 AKICSUFDXFIJCR-UKRRQHHQSA-N 330.378 3.781 0 50 EHAA O=C(CCc1cccs1)N1CCC(c2c[nH]c3ncccc23)CC1 253395849 SSTCAQVMQOJNEW-UHFFFAOYSA-N 339.464 3.963 0 50 EHAA O=C(Nc1cccc2c1CN(C1CC1)C2)c1coc(Br)c1 253425533 QCOPRRWSTCWEFQ-UHFFFAOYSA-N 347.212 3.772 0 50 EHAA C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](OC=O)CC[C@@]43C)[C@@H]1CC[C@@H]2NC=O 253499320 FFINRYRFPXXAGN-FJWDNACWSA-N 347.499 3.685 0 50 EHAA biogenic O=C(NCc1ccccc1-c1ccc(Cl)cc1)N1CCC(O)CC1 263954059 XTORYDZLAPPXEE-UHFFFAOYSA-N 344.842 3.673 0 50 EHAA Cc1nsc(C)c1C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 292947469 DUORVBXNQVLWNX-AWEZNQCLSA-N 344.436 3.508 0 50 EHAA CC(C)(C)c1ccc(SCC(=O)N2CCC[C@@H]2c2ncon2)cc1 328592131 RLOFTLIKLIIQHQ-OAHLLOKOSA-N 345.468 3.823 0 50 EHAA Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@@H](C)[C@@H]1CCCOC1 334029813 PPUAFSYUKXCILW-IXDOHACOSA-N 332.488 3.996 0 50 EHAA OCC1([C@H](NCc2ccc(-c3cc[nH]n3)o2)c2ccccc2)CCC1 354007578 FILQUXHKZIXIFI-LJQANCHMSA-N 337.423 3.663 0 50 EHAA CCC(CC)n1ncc(C(=O)NCc2noc3ccccc23)c1C 408515194 CJUWIXVFSYZMDQ-UHFFFAOYSA-N 326.400 3.624 0 50 EHAA Cc1nnc2ncc(-c3ccc(COCc4cccs4)cc3)cn12 426510176 SAUZDWKQVFPJRD-UHFFFAOYSA-N 336.420 3.878 0 50 EHAA CCN(CCN(C)C)C(=O)c1cccc(-c2cc(Cl)ccc2O)c1 426707233 OQTJCQMSWYBJCL-UHFFFAOYSA-N 346.858 3.736 0 50 EHAA C=CC(=O)Nc1ccc(C(=O)NCC2(SC)CCCCC2)cc1 894567522 UGLZZHQSBRICLY-UHFFFAOYSA-N 332.469 3.607 0 50 EHAA COc1ccc(Cl)c2c1CCC[C@@H]2NCc1ncnn1C(C)(C)C 903165665 NIAIDUJEFITCCH-AWEZNQCLSA-N 348.878 3.862 0 50 EHAA CC(C)N(C(=O)c1coc2c1C(=O)NCCC2)[C@H](C)c1ccsc1 905968323 NLLUFQZBXGJNJE-GFCCVEGCSA-N 346.452 3.629 0 50 EHAA Cc1ccc2ccccc2c1CN1CCC(NC2CCOCC2)CC1 952879930 ALNISJCAQWXYDW-UHFFFAOYSA-N 338.495 3.881 0 50 EHAA NC1(C(=O)Nc2ccccc2OCCCc2ccccc2)CCCC1 952977382 AWHVTBYJQTWDJY-UHFFFAOYSA-N 338.451 3.908 0 50 EHAA Cc1ccc(CC2(NC(=O)c3ccc(CN4CCCC4)o3)CC2)cc1 952983590 HOVQIBCOZVJVGN-UHFFFAOYSA-N 338.451 3.689 0 50 EHAA O=C1NCCN(Cc2ccc(Oc3ccccc3)cc2)C12CCCC2 1506425613 GJNNXZOAYKEVQP-UHFFFAOYSA-N 336.435 3.724 0 50 EHAA CCc1ccccc1CN1C[C@@H]2CC[C@H]1CN(C(=O)c1ccccc1)C2 1565510411 YPHUZYZPSLCZMP-AVRDEDQJSA-N 348.490 3.986 0 50 EHAA c1cncc(CN2CCC3(CC2)OCCc2c3[nH]c3ccccc23)c1 1704358398 KGHQRGZIOASOLV-UHFFFAOYSA-N 333.435 3.627 0 50 EHAA CC(C)C[C@H]1CC[C@H](NC(=O)NCCc2nn(C)c3ccccc23)C1 1875354890 SFBCEISMZXXHSW-CVEARBPZSA-N 342.487 3.630 0 50 EHAA CSc1cccc2c1CN(C(=O)N1CCc3cnc(C)cc31)CC2 2325823529 VYFKJMPBKUHCEN-UHFFFAOYSA-N 339.464 3.653 0 50 EHAA Cc1ccc(-c2cc(=NC(=O)Nc3cc(Cl)ncc3C)[nH][nH]2)s1 2325840691 LSVCIBUFFRGBBJ-UHFFFAOYSA-N 347.831 3.869 0 50 EHAA CCc1nc2ccccc2n1C[C@@H](O)COc1c(C)cc(C)cc1C 106864 GZZYTKJWRQEJEN-QGZVFWFLSA-N 338.451 3.964 0 50 EHAA O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1Cl 209568 XRHVTAJCOKFELJ-UHFFFAOYSA-N 329.827 3.818 0 50 EHAA CC1(C)C(c2ccccc2)=NC(c2ccc(Br)cc2)=[N+]1[O-] 275558 UNLGWKSHPAPGNK-UHFFFAOYSA-N 343.224 3.988 0 50 EHAA COC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CS2 1406201 ZTQCDCQBHWFILG-UHFFFAOYSA-N 347.823 3.766 0 50 EHAA CC[C@@H](C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2781371 ZZFIKQPIUVUFTC-HTQZYQBOSA-N 337.773 3.908 0 50 EHAA CCC(C)(C)c1nnc(NC(=O)CCc2ccc(OC)cc2)s1 2794835 DXSUIMIJVFWQKX-UHFFFAOYSA-N 333.457 3.806 0 50 EHAA CC(=O)Nc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 2856454 MOVYPYVTCYUJQC-UHFFFAOYSA-N 347.212 3.589 0 50 EHAA CC1(C)NC(=O)N(CCCCSc2ccc(Cl)cc2)C1=O 2862541 NZRDPGZJCGVICL-UHFFFAOYSA-N 326.849 3.543 0 50 EHAA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccccc2F)cc1 3623684 UDEISEXEGWSXKW-KRWDZBQOSA-N 345.370 3.560 0 50 EHAA COc1ccc(-c2noc(CN(C)C(=O)CC3CCCCC3)n2)cc1 4513115 QGGHJDYREXEQBI-UHFFFAOYSA-N 343.427 3.674 0 50 EHAA O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1ccccc1 4834785 DEHAKGIXOCLKJJ-UHFFFAOYSA-N 334.375 3.556 0 50 EHAA S=C(NCCCn1ccnc1)Nc1ccc(Cl)cc1Cl 8310845 DYWLYXOJMZXNBK-UHFFFAOYSA-N 329.256 3.567 0 50 EHAA CCNc1ncnc2sc(C(=O)N(C)Cc3ccccc3)c(C)c12 15070505 YADLVFYPWXJPLZ-UHFFFAOYSA-N 340.452 3.704 0 50 EHAA C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 15746813 KSUFHQNWJXXNHA-YHBROIRLSA-N 345.398 3.577 0 50 EHAA C[C@H]1CN(CCOCCSc2ccc(Cl)cc2)C[C@H](C)O1 20167263 OOVLVMWSMGXCRD-KBPBESRZSA-N 329.893 3.558 0 50 EHAA Cc1ccc(SCCNc2nccc(-c3cn(C)nc3C)n2)cc1 48393847 GLLQNOXJZBUUGD-UHFFFAOYSA-N 339.468 3.698 0 50 EHAA COCCN(Cc1nccs1)C(=O)CC12CC3CC(CC(C3)C1)C2 55271357 PYCLKPOWJZACIF-UHFFFAOYSA-N 348.512 3.725 0 50 EHAA O=C(CCC(=O)N1CCC[C@H]1C(F)(F)F)NC1CCCCCCC1 55326177 QKCXKKHQOTXENJ-AWEZNQCLSA-N 348.409 3.549 0 50 EHAA Cc1nc(-c2ccc(-c3noc(C4CC4)n3)cc2)n(-c2ccccn2)n1 65374278 BMUVZGQZWPBCAF-UHFFFAOYSA-N 344.378 3.565 0 50 EHAA COc1ccnc(CN2CCC[C@@H](CCc3ccccc3)C2)c1OC 72144583 LVSMRCUAMHXESH-SFHVURJKSA-N 340.467 3.944 0 50 EHAA CC(=O)NCc1ccc(-c2cc(NC3CCCC3)nc3[nH]ccc23)nc1 72148306 HEXVDTQYODGADF-UHFFFAOYSA-N 349.438 3.616 0 50 EHAA O=C(CCC(F)(F)F)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 72463118 JREFBPQHYFGEOI-GFCCVEGCSA-N 329.297 3.708 0 50 EHAA Cc1cc(C(=O)NCCc2nccs2)c2ccc(C)c(C)c2n1 77337675 VJMJUEIACDTIDZ-UHFFFAOYSA-N 325.437 3.589 0 50 EHAA CC(C)c1noc([C@H]2CCCN2Cc2noc(C3CCCC3)n2)n1 77470924 GRPGQALYQBNWML-CYBMUJFWSA-N 331.420 3.571 0 50 EHAA CCCn1cc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)c(C)n1 91746708 DOHFTLQNAKZISM-UHFFFAOYSA-N 335.451 3.802 0 50 EHAA CCCCc1ncc(CN2CCC[C@@H](c3cccc(C(=O)O)c3)C2)[nH]1 95358969 PGUXCDNQZHMIDV-QGZVFWFLSA-N 341.455 3.830 0 50 EHAA Cc1nc(C(=O)NCCc2cccc(OCCC(C)C)c2)cs1 96139707 ZGNIBSFHHSSUPU-UHFFFAOYSA-N 332.469 3.849 0 50 EHAA Cc1nc(-c2ccccc2N2CCOCC2)n(C2CCCCC2)n1 96162337 UUKCOKKBNNUZNT-UHFFFAOYSA-N 326.444 3.595 0 50 EHAA O=C(Nc1cnn(Cc2ccccc2F)c1)N1C[C@H]2CC=CC[C@H]2C1 97575123 MZSRPFQSKMUKJO-GASCZTMLSA-N 340.402 3.500 0 50 EHAA O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2CC[C@H]1C2 103408785 WSTCJOMKUALJJA-NURSFMCSSA-N 334.268 3.601 0 50 EHAA CN1CCN(C(=O)c2csc(-c3cccs3)n2)c2ccccc21 110475641 RIHGMXCSNWVFBO-UHFFFAOYSA-N 341.461 3.968 0 50 EHAA Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Cl)cn3)cc2F)n1 112164365 UXZBBJBUFYEZBK-UHFFFAOYSA-N 344.777 3.929 0 50 EHAA CN(C)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)cn1 125951775 GRNHDLULXBBUBP-UHFFFAOYSA-N 342.786 3.708 0 50 EHAA Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cccc(C(N)=O)c2)cc1 133686934 BTAPNDUQQDTOJY-BEFAXECRSA-N 336.435 3.707 0 50 EHAA Cc1nc(NC(=O)[C@@H]2CC[C@@H](N)C2)sc1Cc1cccc(Cl)c1 152248622 LOWIJYMVBWKMFZ-TZMCWYRMSA-N 349.887 3.762 0 50 EHAA CC(C)[C@](C)(NC(=O)/C=C/c1cc(Cl)ccc1Cl)C(=O)O 170592094 VNJNJUOCJHQPPE-SZTZYQKNSA-N 330.211 3.622 0 50 EHAA Cc1ccc(OC(F)F)c(CNc2ccc(-n3ccnc3)nc2)c1 170592338 KCKBZFYIHMWTSQ-UHFFFAOYSA-N 330.338 3.789 0 50 EHAA CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(O)c1OC 170618947 ZCYWMVRPLDMRQF-ZDUSSCGKSA-N 330.409 3.550 0 50 EHAA CCCc1cnc(NC(=O)c2ccccc2-c2nnc(C)o2)s1 182169039 QLWURTOGOFKNQH-UHFFFAOYSA-N 328.397 3.706 0 50 EHAA CCC(CC)c1nnc(NC(=O)Nc2cc([C@H]3C[C@@H]3C)n[nH]2)s1 192206398 PDDSYEMAZOLDCH-WPRPVWTQSA-N 334.449 3.932 0 50 EHAA O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N[C@@H]1CC=CCC1 193040384 MXGAKZRDTTVBBU-CYBMUJFWSA-N 339.361 3.795 0 50 EHAA COc1cccc2c1OCCCN(C(=O)c1ccc(CSC)o1)C2 215914279 ZUZVEZIIVDUJKS-UHFFFAOYSA-N 347.436 3.576 0 50 EHAA COc1cccc([C@@H](C)OC(=O)CCc2cccc(N(C)C)c2)c1 225785253 OWKGAWFFJSTQKS-OAHLLOKOSA-N 327.424 3.998 0 50 EHAA O=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)CC1 238033981 PWWDWLLPYDYYPG-UHFFFAOYSA-N 343.810 3.944 0 50 EHAA CCCn1ccnc1CN1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 248005589 PLCUEEHQNFJBSU-RTWAWAEBSA-N 349.478 3.797 0 50 EHAA CC(C)[C@@H]1OCC[C@H]1C(=O)N(Cc1ccsc1)c1cccnc1 253429039 RUCNXKRHMCJIAX-SJORKVTESA-N 330.453 3.737 0 50 EHAA COc1ccc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)c(C)c1 266035175 FINOVPZBBFEOMF-UHFFFAOYSA-N 337.423 3.585 0 50 EHAA C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1)c1cccnc1 281843901 ASVJINQMXFCCHE-SNVBAGLBSA-N 342.292 3.904 0 50 EHAA Cc1nnc([C@H](C)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)s1 283143438 ODDNUMRKQILRFW-KNXALSJPSA-N 335.448 3.635 0 50 EHAA Cc1ccc2nc(C(=O)NCCSC3CCCCC3)c(F)n2c1 299801789 ZCYBASWAFPZHAG-UHFFFAOYSA-N 335.448 3.578 0 50 EHAA CCn1cc([C@H]2OCCC[C@@H]2NC/C=C/c2ccc(F)cc2)cn1 328649334 UZIWHTIVAJJJFG-FBDDWCLBSA-N 329.419 3.565 0 50 EHAA C[C@H](C(=O)Nc1cnccc1-n1cccn1)c1cccc(Cl)c1 337629086 LMUJWKIRCRWFKF-LBPRGKRZSA-N 326.787 3.663 0 50 EHAA Cc1noc(C)c1CO[C@H]1CCN(Cc2ccc3occc3c2)C1 370731406 WLZUVMOVXBDTJF-KRWDZBQOSA-N 326.396 3.829 0 50 EHAA CCc1oc(C(N)=O)cc1CN1C[C@@H](c2ccccc2)C(C)(C)C1 426383779 IUWYSGXRDBNOHI-INIZCTEOSA-N 326.440 3.567 0 50 EHAA COc1ccccc1C1(CN[C@H](C)Cc2cnccn2)CCCC1 453067765 MLIVOUYHHRRFRV-MRXNPFEDSA-N 325.456 3.518 0 50 EHAA CCCc1cnc(NC(=O)c2cccn2Cc2ccncc2)s1 776550419 COAMBHSPMMAVHH-UHFFFAOYSA-N 326.425 3.593 0 50 EHAA CC(C)c1nn(C)c2nc(-c3ccc(CN4CCCC4)s3)[nH]c12 822279771 GLRLCGDPJBKNKE-UHFFFAOYSA-N 329.473 3.744 0 50 EHAA CCCOc1ccc(C(=O)Nc2cc(C(=O)NCC)ccc2C)cc1 952967118 JJVGHAYBLKZQLQ-UHFFFAOYSA-N 340.423 3.786 0 50 EHAA COc1cccc(CNC(=O)NC[C@@H]2CCCc3ccccc32)c1C 1311445802 BRSAJIHUFALJKQ-SFHVURJKSA-N 338.451 3.923 0 50 EHAA O=C1Nc2ccccc2C[C@H]1NCc1cccc(Oc2ccccn2)c1 1474234346 LXETXBNDBQUZMN-LJQANCHMSA-N 345.402 3.527 0 50 EHAA CCC(CC)n1nccc1NC(=O)c1c(C)nc2cc(C)ccn12 1529126665 LXINRWHBUQBTGW-UHFFFAOYSA-N 325.416 3.761 0 50 EHAA CCCc1nc(C)cc(N2CCC3(CC2)OCCc2ccsc23)n1 1704307612 CGZWAEDKHIWIPQ-UHFFFAOYSA-N 343.496 3.867 0 50 EHAA Cc1cc(Cl)cc(Cl)c1CNc1nnc(CCCCN)o1 1772701864 CBQPYGPOBGOEJA-UHFFFAOYSA-N 329.231 3.578 0 50 EHAA CCc1noc(NC(=O)c2cnc(Nc3ccccc3)nc2)c1CC 2100547904 RMUKAJUYYTYJCI-UHFFFAOYSA-N 337.383 3.585 0 50 EHAA COc1ccc(CCCC(=O)Nc2n[nH]c3nc(C)cc(C)c23)cc1 2356169533 SXOMSTFHSVATDV-UHFFFAOYSA-N 338.411 3.545 0 50 EHAA COc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1 386075 UAQFYHCNUOSISM-UHFFFAOYSA-N 326.377 3.720 0 50 EHAA Cc1c(Cl)cccc1-c1ccc(CNCCCN2CCOCC2)o1 4488006 OHZICGAFMASLMI-UHFFFAOYSA-N 348.874 3.720 0 50 EHAA CCCCc1nn(-c2ccccc2)c(NC(C)=O)c1Br 4529878 LECURGYEKBNJES-UHFFFAOYSA-N 336.233 3.936 0 50 EHAA O=C(c1cc(-c2ccccn2)nc2c(Cl)cccc12)n1cccn1 6403068 ZINAAWJAOPOPLO-UHFFFAOYSA-N 334.766 3.835 0 50 EHAA Cc1cnc(-c2cccnc2)nc1[C@@H]1CCCN(C(=O)C2=CCCC2)C1 12245100 WNMOOYGFCXUFID-GOSISDBHSA-N 348.450 3.663 0 50 EHAA Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC2CCOCC2)c1 12702509 QQLIGIIHYNBUBR-LJQANCHMSA-N 325.456 3.635 0 50 EHAA O=C(c1ccc(F)cc1)N1CCc2onc(-c3ccccc3F)c2C1 14968322 UGQLBQICHBUPPG-UHFFFAOYSA-N 340.329 3.818 0 50 EHAA CN(CCc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 15007095 OTMPLJUKRWEBGB-OAQYLSRUSA-N 336.479 3.742 0 50 EHAA CC(C)NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C(C)C 16652599 HWXHFFVXSKYDHR-UHFFFAOYSA-N 340.349 3.548 0 50 EHAA Cc1ccccc1CN1CCN(C2CCCCCC2)C[C@@H]1CCO 20205094 NUCZWUZBBUVJOV-NRFANRHFSA-N 330.516 3.586 0 50 EHAA CCCCC(=O)Nc1ccc(C)cc1NC(=O)c1c[nH]nc1C1CC1 55183292 PZZLKGNWEWRGKF-UHFFFAOYSA-N 340.427 3.977 0 50 EHAA COc1cccc(N2CCN(Cc3ccc(SC)cc3)CC2)c1 55291894 YTXXHIGGVROVIB-UHFFFAOYSA-N 328.481 3.739 0 50 EHAA c1cncc(OCc2nc(C3CC3)nn2-c2cccc3cccnc23)c1 65493502 GXNFOVMQYLPMLW-UHFFFAOYSA-N 343.390 3.667 0 50 EHAA COCCN(Cc1nccs1)C(=O)c1oc2cc(C)ccc2c1C 65497155 RSCLSMSVMIKEFS-UHFFFAOYSA-N 344.436 3.795 0 50 EHAA CCOC(=O)[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 71770902 QCLJKMYFBRKBGK-MRXNPFEDSA-N 344.794 3.975 0 50 EHAA c1ccc(CCN2CCC[C@H](Nc3cnc4ccccc4n3)C2)cc1 72426933 ZAZQRFOSGIPHLQ-SFHVURJKSA-N 332.451 3.749 0 50 EHAA CCc1cc(C(=O)N(C)Cc2cnn(-c3ccc(F)cc3)c2)cs1 77391983 KIAQKXKIPSFGHO-UHFFFAOYSA-N 343.427 3.908 0 50 EHAA Cc1noc(C)c1CC(=O)N1CCC(Oc2ccccc2Cl)CC1 77438414 FCEXQOKJKPOELA-UHFFFAOYSA-N 348.830 3.557 0 50 EHAA Cc1ccc(CNC(=O)N[C@H](C)c2cn(C(C)(C)C)nc2C)s1 153798320 MUHYQIGNHLVRCU-GFCCVEGCSA-N 334.489 3.877 0 50 EHAA C[C@@H](CCNc1ncnc2nc[nH]c12)c1cccc(C(F)(F)F)c1 170647917 PTRAMHMAHFYIGX-JTQLQIEISA-N 335.333 3.977 0 50 EHAA COc1cccc(F)c1[C@@H](C)NC(=O)N1CCCC[C@H]1c1ncc[nH]1 176018687 DTFRBFYSRJGOTI-OCCSQVGLSA-N 346.406 3.555 0 50 EHAA Cc1noc(C)c1C(=O)NC(C)(C)c1ccccc1Br 179173151 ZNPFERCYJDRAEQ-UHFFFAOYSA-N 337.217 3.719 0 50 EHAA COC(=O)c1ccccc1NC(=O)N1CCC[C@@H]1c1csc(C)n1 189222432 FLMIYLHZLAQQEM-OAHLLOKOSA-N 345.424 3.607 0 50 EHAA O=C(NCc1ccc(Cl)s1)N1CCC(c2ccncc2)CC1 192319811 VPGHAWCOVKSGJA-UHFFFAOYSA-N 335.860 3.886 0 50 EHAA COC(=O)c1ccc(OC(C)C)c(NC(=O)Cc2ccsc2)c1 194840225 CTHLAXFPSXYACM-UHFFFAOYSA-N 333.409 3.503 0 50 EHAA C[C@H](CCNC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1 221923118 ZFDCDJJCXUPVJT-AYBZRNKSSA-N 348.512 3.534 0 50 EHAA CCOC(Cc1nc(-c2cc(Br)cs2)no1)OCC 225404855 HCZZBAJRKXEYBC-UHFFFAOYSA-N 347.234 3.502 0 50 EHAA CCC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 226948216 LGNLDLCNCTWFEQ-JHNDHUHGSA-N 327.811 3.988 0 50 EHAA C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 229421771 DVXFWBHSIFTDDJ-JHJVBQTASA-N 344.377 3.890 0 50 EHAA CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)Nc1ccc(F)c(C(N)=O)c1 229745825 GIBJJELHTRRFIW-KFNAQCHYSA-N 335.423 3.507 0 50 EHAA Cc1nc2ccc(C(=O)N(C)Cc3cc(C(C)C)no3)cc2nc1C 244584382 CYFXMPSWAHXTDA-UHFFFAOYSA-N 338.411 3.630 0 50 EHAA Cc1ccc(NC(=O)CCN(C)CC[C@H]2CCCCO2)cc1Cl 244872867 WFSWBWWMFLGSLX-MRXNPFEDSA-N 338.879 3.868 0 50 EHAA O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@H]1c1cccc2c1OCCO2 247955041 UYWPJGZBMAGELX-OAGGEKHMSA-N 339.391 3.518 0 50 EHAA Cc1ccc(-c2ccc(C(=O)NC3CCNCC3)c(F)c2)cc1C 262509680 KZIWOEAXRHNYTC-UHFFFAOYSA-N 326.415 3.591 0 50 EHAA CCCNC(=O)c1ccc(Cl)c(NC(=O)N2CC=C[C@@H]2CC)c1 299783478 VCFCMIZQBMRDSX-ZDUSSCGKSA-N 335.835 3.662 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H]2C(=N)O)cc(Cl)c1Br 330033282 YOMLDNTZMWXEJH-SNVBAGLBSA-N 345.624 3.551 0 50 EHAA O=C(Nc1cccc(C(=O)N2CC[C@@H](CC3CC3)C2)c1)c1ccco1 359676099 BBMVEBYNKBKBAR-HNNXBMFYSA-N 338.407 3.794 0 50 EHAA Cc1cnc([C@H](C)CNC(=O)c2sc(C(F)(F)F)nc2C)s1 360720057 XILJZTHMNLRXFB-ZCFIWIBFSA-N 349.403 3.769 0 50 EHAA COc1ccc2cccc(CC(=O)N[C@H]3CCO[C@@H](C(C)C)C3)c2c1 408513772 PEVQVFFLPXVZKF-FXAWDEMLSA-N 341.451 3.711 0 50 EHAA CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCO[C@@H](c2nccn2C)C1 408520832 ZRHXMLQLHXHXFS-FGTMMUONSA-N 347.503 3.753 0 50 EHAA CCn1nncc1CN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 459405818 NSCWDARVHVBZKI-CYBMUJFWSA-N 341.484 3.889 0 50 EHAA O[C@@H]1CCCC[C@H]1Oc1ccc(Nc2cc(C(F)F)ncn2)cc1 893690695 YEFWLOXYYOVGRA-HUUCEWRRSA-N 335.354 3.840 0 50 EHAA CCCCn1ncc(NC(=O)N2CCC[C@@H](C3CCOCC3)C2)c1C 930479978 AONFDPOKEVZRAD-QGZVFWFLSA-N 348.491 3.662 0 50 EHAA CC[C@@H]1C=CCN1S(=O)(=O)c1ccc(-c2csc(C)n2)s1 952976185 RGMLKHZWAPDYOX-LLVKDONJSA-N 340.495 3.519 0 50 EHAA C[C@@H](C(=O)N1CCC[C@@H](c2ccccn2)C1)c1ccc(F)cc1F 1347787540 OTMSIQUZNQJOFC-ZIAGYGMSSA-N 330.378 3.870 0 50 EHAA Cc1ccc2c(C)cc(N3C[C@@H](O)[C@H](Cc4ccncc4)C3)nc2c1C 1704311871 VBWAFGXQBDDJJA-UYAOXDASSA-N 347.462 3.595 0 50 EHAA COc1ccc(CN2CCc3cc(Cl)nc(Cl)c3C2=O)cc1 1857784514 HJZLPKMJCFIKPM-UHFFFAOYSA-N 337.206 3.596 0 50 EHAA C[C@H](CCC1CCCCC1)NC(=O)c1nnc2c(F)cccc2c1O 2325842266 SPDZFPCRUCBGDO-GFCCVEGCSA-N 345.418 3.953 0 50 EHAA O=C1C[C@H](c2ccccc2)Sc2nc(-c3ccc(F)cc3)nn21 79110 UJOUUQLKOZSQTN-CQSZACIVSA-N 325.368 3.962 0 50 EHAA CC(C)C(=O)N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl 273276 YZGSINBFOJGTEW-LLVKDONJSA-N 327.614 3.706 0 50 EHAA COC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CC[C@@H](C)C2 433893 REXCSYHGRIWVOI-SECBINFHSA-N 333.409 3.813 0 50 EHAA CCOC(=O)c1ccc(-c2ccc(C(=O)Nc3cccnc3)o2)cc1 447419 XDOSFNFEPZZWKS-UHFFFAOYSA-N 336.347 3.771 0 50 EHAA Cc1cccc(N2CCN(C(=S)Nc3ccccc3)CC2)c1C 459200 HWHGEGHFQVDDMT-UHFFFAOYSA-N 325.481 3.822 0 50 EHAA COC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 475150 ZVAJPYYNEUWIQV-NSHDSACASA-N 333.771 3.533 0 50 EHAA CN(C)c1ccc(C(=O)OCc2ccccc2Br)cc1 1064698 QEZSYOYCVXMDQB-UHFFFAOYSA-N 334.213 3.872 0 50 EHAA C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 2559943 UYNVMODNBIQBMV-HRAATJIYSA-N 325.452 3.769 0 50 EHAA biogenic,world CC(C)c1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1 4190971 YKOSLKGEHSNDGD-IBGZPJMESA-N 338.432 3.695 0 50 EHAA COc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1OC 6582932 USLAHFIFUCYKGO-UHFFFAOYSA-N 339.313 3.653 0 50 EHAA C/C=C(\C)CN1CC[C@@]2(CCCN(Cc3cccc(C)c3)C2=O)C1 11838600 KLTRJSCJFDXXAA-VREQBZOKSA-N 326.484 3.776 0 50 EHAA CCCO[C@@H]1CCCN(C(=O)c2ccc3oc(C(C)C)nc3c2)C1 12710975 YBCIGHFETQPFOO-OAHLLOKOSA-N 330.428 3.982 0 50 EHAA COCc1ccc(CN2CCC[C@@](CO)(Cc3ccccc3C)C2)o1 13593784 WTFRSJGZJMQJSC-OAQYLSRUSA-N 343.467 3.552 0 50 EHAA Cc1cccc(CN2CCC(C(=O)NCCc3ccccc3)CC2)c1 16606509 AREWXHGEMOZIHW-UHFFFAOYSA-N 336.479 3.566 0 50 EHAA Cc1cc(C)cc(CN2CCc3nnc(-c4ccccc4)n3CC2)c1 23158429 YPJUPDCAZYDMPQ-UHFFFAOYSA-N 332.451 3.620 0 50 EHAA CC(C)[C@H]1CN(C(=O)c2ccc3cc[nH]c3c2)CCCN1CC1CC1 71748103 DOLMULJDBJDOPY-HXUWFJFHSA-N 339.483 3.750 0 50 EHAA COc1ccc(-n2ccnc2-c2nccn2[C@@H](C)c2ccco2)cc1 72411876 FKIWNLIKUYJHDH-AWEZNQCLSA-N 334.379 3.947 0 50 EHAA CCc1nc2c(N3CCC(Oc4ccc(C)cc4)CC3)ncnc2o1 77385677 ICBHUVKRDMQKAR-UHFFFAOYSA-N 338.411 3.536 0 50 EHAA Cc1cccc(CC(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)c1 82138505 GXWZSOQTWQUWIW-LJQANCHMSA-N 337.467 3.550 0 50 EHAA Cc1cc2cc(C(=O)N[C@@H](C(=O)O)c3ccc(F)cc3F)ccc2o1 95520574 IDBJFALVVWQCNJ-MRXNPFEDSA-N 345.301 3.575 0 50 EHAA CC(=O)c1cc(CN(C)Cc2cc(-c3ccccc3)n[nH]2)cs1 97272435 ZWZWHXUSNQIGNX-UHFFFAOYSA-N 325.437 3.973 0 50 EHAA O=C(Nc1cccnc1)N1CCCC[C@H]1CCc1ccc(O)cc1 97679766 UKLKUBLJDQFFHP-KRWDZBQOSA-N 325.412 3.806 0 50 EHAA O=C1CCCc2nc(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)sc21 116013309 CRXGZVZCJJENKO-BDAKNGLRSA-N 348.374 3.683 0 50 EHAA C[C@H]1CN(C(=O)OCc2ccccc2)C[C@H](C)N1C(=O)OC(C)(C)C 117871886 BQDWTKGOXJXCIY-GJZGRUSLSA-N 348.443 3.653 0 50 EHAA CN(C)CC(C)(C)CNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 122147467 LCHODZQDUVLPAF-MDZDMXLPSA-N 345.874 3.605 0 50 EHAA Cc1noc(C)c1[C@H](C)CNC(=O)Nc1ccc(-c2cc[nH]n2)cc1 123615426 TWTQYUNQYICDRQ-LLVKDONJSA-N 339.399 3.607 0 50 EHAA COc1ccc(-c2csc3ncnc(N[C@H]4CCC[C@@H]4O)c23)cc1 169991179 OIBSQGOBOHBMLU-GJZGRUSLSA-N 341.436 3.692 0 50 EHAA Cc1ncsc1CN(C)C(=O)CCc1c[nH]c2c(C)cccc12 172840422 PMOSFIAZHFGQFG-UHFFFAOYSA-N 327.453 3.832 0 50 EHAA COc1cccc(Cl)c1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C 177955230 JGOILWBXVQKPTG-BLLLJJGKSA-N 325.836 3.530 0 50 EHAA CC(C)n1cc(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cn1 179377777 NFJSYBLPKXBFEZ-KRWDZBQOSA-N 337.826 3.830 0 50 EHAA CC[C@@H](C)Oc1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)ccn1 182526765 IJPVTVRXPXHDSW-LLVKDONJSA-N 342.424 3.963 0 50 EHAA C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1cn(C)c2ccccc12 184778897 YAMRJNRPDVMKGN-CYBMUJFWSA-N 336.391 3.692 0 50 EHAA COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CN1Cc1ccccc1 196408942 AUJCLXRQSOQAKH-IRXDYDNUSA-N 349.547 3.824 0 50 EHAA Cc1ccc(-c2ccc(CN3CCN(C(=O)c4ccc[nH]4)CC3)cc2)o1 216370988 SCCWICJNZFLOOP-UHFFFAOYSA-N 349.434 3.541 0 50 EHAA CCc1c(NC(=O)Nc2ccc(COC)cc2)cnn1CC(C)C 241173088 KFZDVDPSHHSSPM-UHFFFAOYSA-N 330.432 3.892 0 50 EHAA Cc1nc(C(=O)NCc2cccc(Cl)c2)c(Br)s1 241862498 SQNBYLPGFNWJEQ-UHFFFAOYSA-N 345.649 3.797 0 50 EHAA C[C@H]1C[C@@H](C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CCN1C 253417790 HCMVIVCIAYMTBD-JLMWRMLUSA-N 348.490 3.891 0 50 EHAA Cc1noc(C)c1[C@@H](C)CNC(=O)c1cnoc1-c1ccccc1F 253418160 HFUHWTRNEGUFKO-JTQLQIEISA-N 343.358 3.619 0 50 EHAA O=C(NCc1ccccc1)NCc1ncc(C(F)(F)F)cc1Cl 263640048 UXGJVRAAQLUJOG-UHFFFAOYSA-N 343.736 3.753 0 50 EHAA CCc1nc(N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)c2ccsc2n1 270322259 VMDVESVJTJDSHR-ZRUHOGSISA-N 337.514 3.745 0 50 EHAA OC1(c2ccc(-c3ccccc3)cc2)CCN(CCn2ccnc2)CC1 278948496 YNJNWTASRAWXTJ-UHFFFAOYSA-N 347.462 3.534 0 50 EHAA Cc1c(NS(=O)(=O)c2cccs2)noc1-c1ccccc1F 366001351 QFVCVPKOEBGVNL-UHFFFAOYSA-N 338.385 3.651 0 50 EHAA Cc1cnccc1-c1cccc(C(=O)N(Cc2cnn(C)c2)C2CC2)c1 426647859 CIPIGJIOVHHAFI-UHFFFAOYSA-N 346.434 3.595 0 50 EHAA O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cnc2ccccc2c1 430976032 QAWOQFIMBHMFMT-UHFFFAOYSA-N 336.775 3.828 0 50 EHAA CC[C@](C)(CCNC(=O)c1cc(C)nc(C)n1)c1ccccc1OC 534636950 YPZQOWYBOINRRV-HXUWFJFHSA-N 341.455 3.590 0 50 EHAA Cc1cc([C@@H]2CCCN2C(=O)NCCc2nc(C(C)C)cs2)no1 670447820 QIESYFJWXDGVGQ-HNNXBMFYSA-N 348.472 3.652 0 50 EHAA Cn1ccnc1[C@H]1N(C(=O)c2ccc(F)c3occc23)CC1(C)C 821105369 LEHDPXWDRPJEPN-OAHLLOKOSA-N 327.359 3.529 0 50 EHAA CC[C@@H](C(=O)Nc1ccc(OC)c(C(=O)N(C)C)c1)c1ccccc1 823466092 GXFWKJFQKNSXBY-MRXNPFEDSA-N 340.423 3.529 0 50 EHAA C[C@@H]1CCC(=O)N1c1cccc(NC(=O)CCc2ccccc2F)c1 952982235 WYAZOJFELNSZJU-CQSZACIVSA-N 340.398 3.912 0 50 EHAA O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@]2(CCC[C@H]2O)C1 1704358612 POHLNIDMDSKLQK-NFBKMPQASA-N 349.474 3.972 0 50 EHAA CC(C)Cc1ccc(-c2nccn2[C@@H]2COC3(CCNCC3)C2)cc1 1857711245 PRWRAVUCTSDJQR-IBGZPJMESA-N 339.483 3.832 0 50 EHAA CCOC(=O)c1cccc(-c2cn([C@H]3C[C@H](OC(C)(C)C)C3)nn2)c1 1875279254 JVCIKJDVTHDVNZ-WKILWMFISA-N 343.427 3.640 0 50 EHAA CC1=C(C(=O)N2CCCCC[C@H](Nc3cc(Cl)ncn3)C2)CCC1 1875408242 RJKKDGZDCHQSRA-AWEZNQCLSA-N 348.878 3.814 0 50 EHAA CC(C)c1nc([C@H]2CCCCCN2C(=O)[C@H](C)OC2CCCC2)no1 2325729072 AQVRZBYHHQVVSH-GOEBONIOSA-N 349.475 3.984 0 50 EHAA CSCc1nc([C@@H]2CCN3CCC[C@@H]3C2)n(-c2cccc(F)c2)n1 2325848315 DHVDYTFWDAIERW-UKRRQHHQSA-N 346.475 3.611 0 50 EHAA Cc1ccn(-c2ccc(CN3CC[C@@H](c4cccnc4)C3)c(C)c2)n1 2325855770 OFHKCVIPKYXTNX-HXUWFJFHSA-N 332.451 3.874 0 50 EHAA CCc1nc(O)ccc1C(=O)NCCc1ccc(Cl)cc1Cl 2356169656 GIZFCHKIKWYBCM-UHFFFAOYSA-N 339.222 3.629 0 50 EHAA COc1ccc(C(=O)c2ccc(F)c(F)c2)cc1Br 89441 QLDSMUHAMBOQJW-UHFFFAOYSA-N 327.124 3.967 0 50 EHAA COc1c(S(=O)(=O)N2CCCC[C@@H]2C)ccc(Cl)c1Cl 310827 BMENQJYPSULLHQ-VIFPVBQESA-N 338.256 3.565 0 50 EHAA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(F)c1 359677 ZBGXXJAVOSRVBJ-UHFFFAOYSA-N 338.791 3.615 0 50 EHAA CCCc1nnc(SCc2ccc(OCCC(C)C)cc2)n1N 463023 PZDXHIALUIKHFX-UHFFFAOYSA-N 334.489 3.662 0 50 EHAA O=C(NC[C@H](O)c1ccc2ccccc2c1)c1c(F)cccc1F 1397877 AIYDWERSTIWQPX-KRWDZBQOSA-N 327.330 3.581 0 50 EHAA CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CCCCC1 4943572 VXTBFEYGICRDDB-UHFFFAOYSA-N 333.819 3.929 0 50 EHAA COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(Cl)cc1 5019096 MFBWUXKEKDYGHW-UHFFFAOYSA-N 344.802 3.658 0 50 EHAA COc1ccc(CCNc2ncnc3oc(C)c(C)c23)cc1OC 5345533 FIQIMRUCYJVPPR-UHFFFAOYSA-N 327.384 3.511 0 50 EHAA Cc1cc(C)nc(Nc2ncc(O)n2-c2ccc(C)c(Cl)c2)n1 6565400 OXJCWLLYGNSLBU-UHFFFAOYSA-N 329.791 3.690 0 50 EHAA CN(C(=O)CSc1nnc(-c2ccccc2F)o1)c1ccccc1 7192796 MTFROHXMTNFKIP-UHFFFAOYSA-N 343.383 3.631 0 50 EHAA Cc1ccc(CN2CCN(C/C=C/c3ccccc3)CCC2=O)cc1 12004394 WJJLULKZGYDPSB-VMPITWQZSA-N 334.463 3.743 0 50 EHAA O=C(C1CCOCC1)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 14969587 ZFILOXDDCWTFTA-OAHLLOKOSA-N 337.410 3.563 0 50 EHAA O=C1/C(=C/c2ccc(F)cc2)NC(=S)N1c1ccc(Cl)cc1 15010519 NUSZGLYGYVNROR-ZROIWOOFSA-N 332.787 3.741 0 50 EHAA Fc1ccccc1CN1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 15078934 LRCACHYTAQVGHF-MRXNPFEDSA-N 328.387 3.631 0 50 EHAA Fc1c(I)ccc(Br)c1Cl 63339638 KORMQSNUPWNOLD-UHFFFAOYSA-N 335.341 3.846 0 50 EHAA in-vitro Cc1ccc2c(C(=O)N(C)C)cc(-c3cnc(C4CC4)nc3)nc2c1C 63856884 GTVMNSQGOFWQPC-UHFFFAOYSA-N 346.434 3.888 0 50 EHAA Cc1cc(F)cc(-c2c(-c3ccccc3)ncn2CCOCCO)c1 65399047 FSONTZXSXFSGDE-UHFFFAOYSA-N 340.398 3.674 0 50 EHAA O=C(c1ccc(-c2ccccc2Cl)o1)N1CC[C@H](n2ccnc2)C1 65460662 BUTZXIMHVWPNNY-ZDUSSCGKSA-N 341.798 3.884 0 50 EHAA C[C@H](C(=O)NCc1cccnc1Oc1ccccc1F)n1cccc1 67649623 ILXHMIRVUOUOKO-CQSZACIVSA-N 339.370 3.692 0 50 EHAA COC(=O)[C@@H]1C[C@H]2[C@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)C1=O 71786927 LSHBHSFAOXGHPP-ATOXUGOLSA-N 342.435 3.520 0 50 EHAA O=C(CCc1ccncc1)N1CCC(Oc2ccc(Cl)cc2)CC1 77303643 JQDOPURFVPXDPB-UHFFFAOYSA-N 344.842 3.738 0 50 EHAA Cc1cc(C(=O)NCCCc2scnc2C)c2ccc(F)cc2n1 82106616 LQGNYFMKHCRXRD-UHFFFAOYSA-N 343.427 3.810 0 50 EHAA CC(C)[C@H](c1ccccc1)N(C)C(=O)c1ccc(-n2ccnc2)nc1 112672498 FXNJBQXDFBROMX-LJQANCHMSA-N 334.423 3.737 0 50 EHAA CCN(C(=O)c1ccnn1C)[C@@H](C)c1cccc(C(F)(F)F)c1 122188524 MRJBMYSIZFJOTJ-NSHDSACASA-N 325.334 3.662 0 50 EHAA C[S@@](=O)Cc1cc(NC(=O)c2cccc3cc[nH]c23)ccc1Cl 173498854 BIZQRNFCJPGSPZ-HSZRJFAPSA-N 346.839 3.952 0 50 EHAA Cn1ccc2cccc(NC(=O)N3CCO[C@@H](c4ccsc4)C3)c21 190048701 UJCXWUGBCBUPLY-MRXNPFEDSA-N 341.436 3.845 0 50 EHAA O[C@H](CSCc1csc(Cc2ccccc2)n1)C(F)(F)F 191107681 IGCAGKDHDGDLKD-GFCCVEGCSA-N 333.400 3.890 0 50 EHAA Cc1cccc(OCC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)c1 219325145 JGROZRCTUIZBLA-UHFFFAOYSA-N 326.371 3.653 0 50 EHAA O=C1C[C@H](CN[C@@H]2CCCOc3cc(F)ccc32)c2ccccc2N1 221775675 UQFHTFQNXZUOCJ-CXAGYDPISA-N 340.398 3.755 0 50 EHAA O=c1cc[nH]c2cc(CNc3nc(-c4ccccc4)ns3)ccc12 225386758 KMGWUCAKOUZRTF-UHFFFAOYSA-N 334.404 3.659 0 50 EHAA C[C@H]1COC(C)(C)CN1c1cncc(SCc2ccccc2)n1 225410535 LLFPEVBCEFLLFC-AWEZNQCLSA-N 329.469 3.773 0 50 EHAA Cc1ccnn1CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 244708249 KQBOYAUEGYUTJZ-INIZCTEOSA-N 340.254 3.572 0 50 EHAA CCC(CC)n1nc(C(=O)N2CCOc3ccc(F)cc3C2)cc1C 252483931 FLCBOSLUBRLJHF-UHFFFAOYSA-N 345.418 3.727 0 50 EHAA Cc1ccc(CN(C)C(=O)N[C@@H]2CCCc3ccc(F)cc32)nc1 252485559 GYWZFSAIUXZLGF-GOSISDBHSA-N 327.403 3.748 0 50 EHAA COc1ccnc(CN2CCC[C@H](COc3ccccc3F)C2)c1 252503715 VFZVKARQTXLJJK-HNNXBMFYSA-N 330.403 3.520 0 50 EHAA Cc1ccc(-n2cnc(C(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 252507242 WFKMPGCWKGRXPR-UHFFFAOYSA-N 346.312 3.847 0 50 EHAA O=C(Nc1ncc(C2CCNCC2)s1)[C@@H](c1ccccc1)C1CC1 261978152 CFFXMBGSXQAPCL-KRWDZBQOSA-N 341.480 3.742 0 50 EHAA COc1c(F)cc(N[C@H](C)c2cccc(N3CCOCC3)c2)cc1F 271915503 BGTLLYYELMTHJK-CYBMUJFWSA-N 348.393 3.983 0 50 EHAA CSC1(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCC1 346484364 FUXWREIEKHISIB-KGLIPLIRSA-N 343.851 3.711 0 50 EHAA COc1ccc(C)cc1S(=O)(=O)N(C)[C@@H](C)Cc1ccccc1C 443222250 ZNGFLHXXXGPQCV-INIZCTEOSA-N 347.480 3.564 0 50 EHAA O=C(c1ccc(-c2cc(F)ccc2Cl)cc1)N1CCC[C@H]1CO 534636256 OUFCTXAWBKGKLT-HNNXBMFYSA-N 333.790 3.743 0 50 EHAA Cc1cccnc1[C@@H](NC(=O)CCCN1CCCCCC1)C1CC1 534646437 SIIYIVMDMZGHBQ-FQEVSTJZSA-N 329.488 3.614 0 50 EHAA COCC(C)(C)CNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 534647911 DQBYSCNXBLFPJQ-UHFFFAOYSA-N 329.444 3.515 0 50 EHAA NCc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)cc1 565420693 MVDYTBUVEXNIHN-UXHICEINSA-N 337.467 3.671 0 50 EHAA COCC1(CNC(=O)N(Cc2ccc(SC)cc2)C2CC2)CCC1 670465135 HLZIKWQCPSMHCW-UHFFFAOYSA-N 348.512 3.899 0 50 EHAA CC(C)C(=O)N1CCC[C@H](NCc2ccccc2-c2ccco2)C1 952967965 DRLKZTNOFXSXEQ-KRWDZBQOSA-N 326.440 3.683 0 50 EHAA CN(C)C1(CNCc2cnc(C3CCCCC3)nc2)CCCCC1 952975338 PLEFJZCXOPRTOT-UHFFFAOYSA-N 330.520 3.878 0 50 EHAA C[C@H](O)c1nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2[nH]1 952987800 LMJIXYVUOZLFEN-QMMMGPOBSA-N 333.750 3.661 0 50 EHAA O=C(c1cc2ccccc2s1)N1CCC(C2CCNCC2)CC1 1161213588 FSBWVQBTJQYYFP-UHFFFAOYSA-N 328.481 3.753 0 50 EHAA Cc1ccc2c(C)cc(N[C@@H]3CCCN(C(=O)C4CC4)C3)nc2c1C 1704338692 XHDYVCHHWAKBBQ-QGZVFWFLSA-N 337.467 3.973 0 50 EHAA O=C([C@@H](c1ccccc1)C1CCCC1)N1CCC(C2(O)CC2)CC1 1772815622 WVWVBQZWSOOPER-IBGZPJMESA-N 327.468 3.724 0 50 EHAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1C[C@H]2C[C@H](O)C[C@H]2C1 1775982906 URLUDTDJHWNQOR-WDNDVIMCSA-N 345.826 3.751 0 50 EHAA CCCSCc1nnc2sc(-c3c[nH]c4ccccc34)nn12 1776111012 LPHDKEVMQMYZMY-UHFFFAOYSA-N 329.454 3.977 0 50 EHAA CC(C)(C)c1ccc([C@H]2CCC[C@H](OC(=O)Cn3cncn3)C2)cc1 2325725136 DGOCONMIQGOAPL-WMZOPIPTSA-N 341.455 3.845 0 50 EHAA C[C@@H](NC(=O)Nc1nc(-c2ccc(F)cc2)no1)c1ccc(F)cc1 2332239448 XFJALURGMSTPJT-SNVBAGLBSA-N 344.321 3.898 0 50 EHAA COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 318804 BKGFWHSUQYJYPI-UHFFFAOYSA-N 332.208 3.803 0 50 EHAA Cc1sc2[nH]c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c2c1C 435094 UDVANKWQHXNBBI-UHFFFAOYSA-N 341.219 3.664 0 50 EHAA CCOc1cc(C=O)ccc1OCC(=O)Nc1cccc(Cl)c1 467537 CPFTVBJCZQNZJP-UHFFFAOYSA-N 333.771 3.569 0 50 EHAA Cn1c(SCC(=O)Nc2ccccc2F)nnc1C1CCCCC1 560565 HNYAEDZUUIOODY-UHFFFAOYSA-N 348.447 3.733 0 50 EHAA CCCCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 2864873 XDYQUAWYYAKVTD-UHFFFAOYSA-N 340.379 3.796 0 50 EHAA aggregator COC(=O)CCCCCc1ccc(CCCCC(=O)OC)s1 4343282 SMDYDQQAWCFSHA-UHFFFAOYSA-N 326.458 3.910 0 50 EHAA CCOC(=O)c1sc(NC(=O)C[C@@H](C)c2ccccc2)nc1C 4814328 CNXCGJORYRWJTA-LLVKDONJSA-N 332.425 3.761 0 50 EHAA Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)ccc2C(=O)O)c1 4832163 YJIVYETYWNAOJA-UHFFFAOYSA-N 333.771 3.673 0 50 EHAA Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 4867194 MYXKBAJLCVKPIA-ZDUSSCGKSA-N 328.799 3.640 0 50 EHAA CCOc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1 8690078 BESWLCDPXSVTTF-UHFFFAOYSA-N 330.438 3.899 0 50 EHAA Cc1cc(C)c(C(=O)N2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)o1 11761216 GRNYIUIESIDUEE-CQSZACIVSA-N 334.366 3.891 0 50 EHAA CN(Cc1cnccn1)C(=O)C[C@H](c1ccccc1)c1ccccc1F 12712266 WHCRQSZXFJIIQA-LJQANCHMSA-N 349.409 3.796 0 50 EHAA CCOC(=O)c1c(NC(=O)c2c(CC)noc2C)sc2c1CCC2 13327329 YAUWMTUUQQGPKX-UHFFFAOYSA-N 348.424 3.525 0 50 EHAA OC1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 13497597 VOWTUAYDLFXMMP-UHFFFAOYSA-N 328.437 3.632 0 50 EHAA CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(F)cc1)C2=O 19324015 BVQBTDNOUDUMBU-UHFFFAOYSA-N 330.447 3.611 0 50 EHAA biogenic CCn1cncc1-c1nc2c(C)nn(Cc3ccc(Cl)cc3)c2[nH]1 20452566 ZAOIPGQKINAUPB-UHFFFAOYSA-N 340.818 3.653 0 50 EHAA CN(Cc1ccco1)c1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1 23192268 SDNZBSBHXGCPGY-UHFFFAOYSA-N 349.369 3.698 0 50 EHAA CCC1(CC)CCN(C(=O)c2cc(COc3ccccc3F)[nH]n2)C1 67771245 GMTYYCVQUXFDDX-UHFFFAOYSA-N 345.418 3.780 0 50 EHAA CCN(C)C(=O)c1ccc(Oc2ccc(CN3CCCC3)cc2)nc1 67803938 GAQGHXABSKZTHT-UHFFFAOYSA-N 339.439 3.562 0 50 EHAA C/C(=C\c1ccco1)CN1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 67847358 ALLRHWZNSRQABJ-JMGXUFBMSA-N 325.452 3.999 0 50 EHAA COCCn1cncc1CN1CCC[C@@H](CCc2ccccc2C)C1 72170527 MBOAHIYVTACPKE-IBGZPJMESA-N 341.499 3.683 0 50 EHAA Cc1ccccc1[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1 72419378 JUGTWVLCAMJDGD-IBGZPJMESA-N 325.452 3.746 0 50 EHAA Cc1cccc(SC2CCN(C(=O)[C@H](C)Cn3cccn3)CC2)c1 77517283 JYHDODBVNXCGQQ-MRXNPFEDSA-N 343.496 3.611 0 50 EHAA CSc1cccc(NC(=O)N2CCC(Cc3nc(C)no3)CC2)c1 96139486 BGJQBUMESBIJNC-UHFFFAOYSA-N 346.456 3.587 0 50 EHAA Fc1ccc(-c2n[nH]cc2CN2CC(c3nc4ccccc4[nH]3)C2)cc1 97288701 DHJHERPXNXZJEV-UHFFFAOYSA-N 347.397 3.692 0 50 EHAA Cc1occc1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 113217984 UIDIGFBJFBAPQX-INIZCTEOSA-N 335.407 3.998 0 50 EHAA O=C(N[C@H]1CCCNC1)c1ccc(-c2ccc(Cl)cc2)cc1F 123957987 JIEIZWUKPBHZCQ-HNNXBMFYSA-N 332.806 3.628 0 50 EHAA COc1cc([C@@H](C)NC(=O)c2cnc3snc(C)c3c2)ccc1F 129377514 WNCXMZPRCKPJRD-SECBINFHSA-N 345.399 3.638 0 50 EHAA CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)c1cccc(Cl)c1 133546283 JJINIPGECQTHHM-GOSISDBHSA-N 341.842 3.896 0 50 EHAA O=C(Nc1ccc(SC(F)F)nc1)C(F)(F)c1ccccn1 156774642 RBZNLRCFRVPKJF-UHFFFAOYSA-N 331.294 3.522 0 50 EHAA Cc1cc(Oc2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc2)n[nH]1 162593939 IXTKWTRBLOKRCP-UHFFFAOYSA-N 349.350 3.746 0 50 EHAA c1cc2c(cc1-c1nnc(C34CC5CC(CC(C5)C3)C4)o1)OCCO2 163050035 LBWSNSKRJXPRFK-UHFFFAOYSA-N 338.407 3.976 0 50 EHAA Clc1ccc2c(c1)OCCC[C@H]2NCc1cnn2ccccc12 180970228 IDASYRDYZPVDAK-MRXNPFEDSA-N 327.815 3.991 0 50 EHAA CC(C)(Oc1ccc(F)cc1)C(=O)N(c1ccccc1)[C@H]1CCOC1 192079299 ASQNTRSHADYDOH-KRWDZBQOSA-N 343.398 3.805 0 50 EHAA Cc1cc([C@H]2CCCN2Cc2cnc(NCc3ccccc3)nc2)on1 215084497 AGKOTXZNINBONN-GOSISDBHSA-N 349.438 3.722 0 50 EHAA O=C1CCCN1[C@@H]1CCCN(Cc2ccc(-c3ccccc3F)o2)C1 215347532 GLFUWDGUYLBILT-OAHLLOKOSA-N 342.414 3.673 0 50 EHAA O=C([C@@H]1CCc2ccccc21)N(Cc1ccccn1)Cc1ccco1 215902024 MZOHWXAPKZVSJT-HXUWFJFHSA-N 332.403 3.933 0 50 EHAA O=C([C@@H]1CCCc2cccnc21)N(Cc1ccco1)c1ccccn1 240707726 HQBXHXLOIJJGOU-QGZVFWFLSA-N 333.391 3.723 0 50 EHAA Cn1nccc1C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 245961004 XLUYPWBSHZBPEP-RYQLBKOJSA-N 329.488 3.733 0 50 EHAA CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 247831523 LNEWLEVAAXETEU-BZUAXINKSA-N 343.496 3.783 0 50 EHAA CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 248243034 ICVVVWZUIKMEPH-VBNZEHGJSA-N 341.373 3.694 0 50 EHAA CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 345456601 DVBBGWYODRUBBQ-CQSZACIVSA-N 336.439 3.777 0 50 EHAA CCSCCCNC(=O)Nc1ccc(Oc2ncccn2)cc1 408515868 LEIVVAOYSPCEND-UHFFFAOYSA-N 332.429 3.534 0 50 EHAA O[C@@H]1CCCN(C[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)C1 408519081 XZWYSDRKCZAFQQ-UAGQMJEPSA-N 343.389 3.630 0 50 EHAA CC(C)[C@@H](NC(=O)c1cccc(Cl)c1O)[C@@H](O)c1ccccc1 790394876 GFTDKZMCJVMKDD-CVEARBPZSA-N 333.815 3.534 0 50 EHAA COc1ccc(-c2noc([C@H](C)N3CSCCSC3)n2)cc1 952877033 LAWFXOHWSGHRLX-NSHDSACASA-N 337.470 3.503 0 50 EHAA CCSc1ccccc1NC(=O)[C@H](Cc1ccccc1)N(C)C 952991511 TWMOFRSPKHCVSI-KRWDZBQOSA-N 328.481 3.910 0 50 EHAA Cc1ccc(-c2nc(N3Cc4cncnc4C3)c3ccccc3n2)s1 1163986378 GKIRMJDWQALFLA-UHFFFAOYSA-N 345.431 3.977 0 50 EHAA Fc1cnc(NCCCn2ccc3ccccc32)nc1N1CCCC1 1529184681 CTEDEQYPARQGIJ-UHFFFAOYSA-N 339.418 3.673 0 50 EHAA CCCOc1ccccc1CN1CCC(c2ccn(C)c(=O)c2)CC1 1772804700 CUMAIDJWBMOYJU-UHFFFAOYSA-N 340.467 3.554 0 50 EHAA CN(Cc1ccc(Oc2ccccc2)cc1)C[C@@H]1CCC(=O)N(C)C1 1772810107 HNGVOYCBGBZHDJ-SFHVURJKSA-N 338.451 3.779 0 50 EHAA OC[C@H]1[C@H]2CN(Cc3cccc4c3oc3ccccc34)C[C@]23CC[C@H]1O3 1857718433 UELRZCYUZYEDQM-XHYAQGIWSA-N 349.430 3.558 0 50 EHAA Cc1cc(C(=O)O)ccc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 1875277155 AOZJZMCEXZVLBB-KRWDZBQOSA-N 349.390 3.547 0 50 EHAA Cn1nc(-c2ccccc2)cc1C(=O)N1CCCc2ccccc2C1 2100539581 OWRWHRZYEKRSGT-UHFFFAOYSA-N 331.419 3.676 0 50 EHAA COc1ccc([C@@H]2CCN(Cc3cc4cnccc4[nH]3)C2)cc1F 2325856124 BLDGLZYQKQIUCA-CQSZACIVSA-N 325.387 3.700 0 50 EHAA c1ccc(CN2CCC(N3CC4(COc5ccccc5C4)C3)CC2)cc1 2356163484 FRDNEYWQHGSZNN-UHFFFAOYSA-N 348.490 3.588 0 50 EHAA O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)C1CC1 281176 SBIGMFQDAVCKIK-UHFFFAOYSA-N 334.419 3.816 0 50 EHAA O=c1c2cc(Br)ccc2ncn1Cc1ccc(Cl)cc1 307430 JREAWARDYGRSLV-UHFFFAOYSA-N 349.615 3.861 0 50 EHAA COc1cccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c1 454159 GBQAZJFZBCXBMK-UHFFFAOYSA-N 344.436 3.609 0 50 EHAA CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)OCO3)c(C)c1 557442 YGVHUYNIAZPVMQ-UHFFFAOYSA-N 326.396 3.822 0 50 EHAA CCc1ccc(N2C(=O)C(Cl)=C(N3CCCC[C@@H]3CC)C2=O)cc1 1806074 VEKJAOAJQVZUOT-AWEZNQCLSA-N 346.858 3.837 0 50 EHAA C[C@@H](CCc1ccccc1)NS(=O)(=O)Cc1ccc(Cl)cc1 2876499 HYFYJVUMWCYCAE-AWEZNQCLSA-N 337.872 3.781 0 50 EHAA CCCCn1c(CC)nc2c(sc3nc(C)cc(COC)c32)c1=O 4593956 LHSNCFDVFYUFEM-UHFFFAOYSA-N 345.468 3.824 0 50 EHAA COc1ccc(CNCc2ccccc2Br)cc1OC 5005138 MFUAMQKEEALHIT-UHFFFAOYSA-N 336.229 3.756 0 50 EHAA O=C(NC1CCCCCC1)c1cccc(NC(=O)c2ccco2)c1 6703076 UBKAZZQHPCEGCQ-UHFFFAOYSA-N 326.396 3.985 0 50 EHAA CCOc1cccc2cc(C(=O)NCc3ccc(C)cc3)c(=N)oc12 6950498 ZOMBTKUESSNZIB-UHFFFAOYSA-N 336.391 3.549 0 50 EHAA Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1 9268977 KFQGVTTYAIJWSG-UHFFFAOYSA-N 348.449 3.845 0 50 EHAA COc1ccc(NC(=O)c2sc3ncccc3c2N)cc1Cl 10010811 MTXJCQSWYHZDMQ-UHFFFAOYSA-N 333.800 3.793 0 50 EHAA CC(C)(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 12381327 UJJJUWGCLMWZPE-HUUCEWRRSA-N 346.427 3.501 0 50 EHAA CCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)csc1C 13331458 FAPWHSWOWDIUEA-UHFFFAOYSA-N 332.444 3.720 0 50 EHAA Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2ccccc12 13745877 NABGXLQVFKELLG-UHFFFAOYSA-N 338.382 3.843 0 50 EHAA Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1 14009232 SNAZESBMGBQARD-OAHLLOKOSA-N 340.423 3.539 0 50 EHAA Cc1c(-c2ccccc2)sc2[nH]c(=O)n(-c3ccccc3)c(=O)c12 22309219 SFEGOSJVKACODT-UHFFFAOYSA-N 334.400 3.716 0 50 EHAA O=C(OCC(F)(F)C(F)F)c1ccccc1C(=O)OC1CCCC1 23115334 ZVTVDXRTPYLJIW-UHFFFAOYSA-N 348.292 3.843 0 50 EHAA O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1cccc(Cl)c1 32616706 ZSNZOOWNTBONCI-UHFFFAOYSA-N 347.201 3.947 0 50 EHAA CCOc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1 33088882 WFXHUYWMWHPSGI-ZDUSSCGKSA-N 348.402 3.770 0 50 EHAA Cc1cc(C)cc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)c1 33321044 WOODLFZHXIHLTG-UHFFFAOYSA-N 331.725 3.961 0 50 EHAA CCC(CC)N(CCc1ccccc1)C(=O)[C@@H]1CC12CCNCC2 55154312 HEXZSUAQEGRWMX-IBGZPJMESA-N 328.500 3.636 0 50 EHAA CC(=O)N1CCCC[C@@H]1C1=CCCN(CCCc2ccccc2)C1 65492852 QIFDKOFUEIJTHG-OAQYLSRUSA-N 326.484 3.652 0 50 EHAA COC(=O)c1ccc2[nH]c(-c3cc(OC)c(OC)cc3Cl)nc2c1 67817922 QTELDWXJMHRQJE-UHFFFAOYSA-N 346.770 3.687 0 50 EHAA COc1cnc(CN2CCC[C@@H](CCc3cccc(F)c3)C2)cc1O 72132103 PUCMBIXBZAKZHJ-INIZCTEOSA-N 344.430 3.780 0 50 EHAA COc1ccccc1OC1CCN(Cc2cccc(C(C)=O)c2)CC1 72139060 NSAPGCGQNMRRHH-UHFFFAOYSA-N 339.435 3.941 0 50 EHAA Cc1ccc(Cl)cc1C(=O)N1CC[C@H](c2ccccc2C(=O)O)C1 72150969 YSMCDUBCWZWXMN-ZDUSSCGKSA-N 343.810 3.976 0 50 EHAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 82120245 JFNLRTLWBPRXJB-QGZVFWFLSA-N 336.439 3.758 0 50 EHAA CN(C)[C@H](C(=O)NCCCSc1ccccc1)c1ccccc1F 92028568 VWYSHNZORODWCQ-SFHVURJKSA-N 346.471 3.727 0 50 EHAA O=C(c1cccc(-c2ncc[nH]2)c1)N1CCCC[C@@H]1c1cccnc1 97137320 LGJICSZQPLJQDS-GOSISDBHSA-N 332.407 3.839 0 50 EHAA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C)c(Cl)c3)C(=O)[C@@H]21 100187011 NFSQIKKFIWWKIX-OMNBBPDLSA-N 327.811 3.906 0 50 EHAA Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccnc(C)c2Cl)n1 134156274 BDSVRUMCSVOQMH-UHFFFAOYSA-N 344.777 3.929 0 50 EHAA COc1cccc2[nH]cc(CCN[C@@H](C)c3ccc4c(c3)OCO4)c12 181332235 PFFCCPZULRROIX-ZDUSSCGKSA-N 338.407 3.799 0 50 EHAA O=C(N[C@@H]1CCCOc2ccccc21)c1c[nH]nc1-c1ccsc1 189331390 MVEQTBWIRNPQJY-OAHLLOKOSA-N 339.420 3.782 0 50 EHAA O=C(COCC1CC1)Nc1c(Cl)cc(F)cc1Br 193621632 SJPDIAIBJJDPEI-UHFFFAOYSA-N 336.588 3.607 0 50 EHAA OCCOc1ccccc1CN1CC[C@H](c2cccc(Cl)c2)C1 215465713 VAWCYMZHCXGBBU-INIZCTEOSA-N 331.843 3.701 0 50 EHAA COc1cc(Cl)cc(CN(C)CCC[C@@H]2CCCO2)c1OC 215831496 CCPSZFHLBJGEPQ-OAHLLOKOSA-N 327.852 3.748 0 50 EHAA CN1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2cc(Cl)ccc2Cl)C1 229963847 SIWHKQFZCQBYBS-XHDPSFHLSA-N 342.270 3.941 0 50 EHAA CC[C@@H](Cc1ccccc1)N(C)C(=O)/C=C/c1ccc(C(=O)O)cc1 237023870 SKGIWZSEFNLFRJ-VUVZNRFTSA-N 337.419 3.878 0 50 EHAA CCN(C(=O)c1ccc(C(=O)O)cc1)[C@@H](C)c1cccc(OC)c1 237028452 ZOUDYYGPXDKOLB-ZDUSSCGKSA-N 327.380 3.617 0 50 EHAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 252474529 HAVRODLSUXKUMF-FXRKXCAFSA-N 332.492 3.612 0 50 EHAA Cc1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c(C)o1 287978444 REVQYKYGRDNFAU-QYZOEREBSA-N 325.408 3.541 0 50 EHAA CCCCN[C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 299765072 ZZHLDWJDYCYONA-QGZVFWFLSA-N 326.488 3.995 0 50 EHAA Cc1ccccc1N1CCC(N2CCC(Cn3ccnc3)CC2)CC1 670469764 FTVCGIFBEQWZBP-UHFFFAOYSA-N 338.499 3.573 0 50 EHAA CC(C)c1ncsc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)O)C1(C)C 846798844 VGYQHUAYFTVSKI-OUAUKWLOSA-N 339.461 3.523 0 50 EHAA COc1cc(Cl)c(F)cc1NC(=O)c1coc2c1C(=O)CCC2 888626775 JGQKDBIRULXPAI-UHFFFAOYSA-N 337.734 3.852 0 50 EHAA Cc1cc(F)ccc1[C@H](C)n1cc(C[C@H](O)c2ccccc2)nn1 899735569 MENLKRIQWULTBG-LIRRHRJNSA-N 325.387 3.611 0 50 EHAA FC(F)COCCN1CCC(c2nccc(-c3ccccc3)n2)CC1 952894341 ZQVRUBICEAYYBH-UHFFFAOYSA-N 347.409 3.605 0 50 EHAA COc1cccc2c1O[C@@H](C)C(=O)N(Cc1ccc(Cl)cc1)C2 1775973626 WCNGORWXEXNCLR-LBPRGKRZSA-N 331.799 3.658 0 50 EHAA Cc1sc(NC(=O)[C@@H]2CCOC2)nc1C12CC3CC(CC(C3)C1)C2 1875246415 GEQJTYFQFFCUEN-BCFZYGEVSA-N 346.496 3.894 0 50 EHAA O=C(C[C@H]1CC=CCC1)NCc1nc2cccc(Br)c2[nH]1 1875271694 ZVLWHMRFIPXLHA-NSHDSACASA-N 348.244 3.688 0 50 EHAA COc1ccc2c(c1)CC[C@H]1[C@@H]2OCCN1C(=O)C1CCC=CCC1 1875326894 JYOSWOIVFSBSMI-VQTJNVASSA-N 341.451 3.656 0 50 EHAA CC(C)(C)c1ccc(NC(=O)CSc2nnc3ccccn23)cc1 102768 XPRJZWODHXANKH-UHFFFAOYSA-N 340.452 3.758 0 50 EHAA O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)C(F)(F)F 313191 BHLUNBPXORXZNV-UHFFFAOYSA-N 333.269 3.904 0 50 EHAA O=C(Cc1ccccc1)Nn1c(-c2ccc(Cl)cc2)csc1=O 392179 NEABGJJHRPABJZ-UHFFFAOYSA-N 344.823 3.543 0 50 EHAA COc1cccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1OC 430867 LLTYJOYMIYKIRJ-UVTDQMKNSA-N 343.766 3.702 0 50 EHAA COC(=O)COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 619622 MZGFSYJGSUZIJA-UHFFFAOYSA-N 341.407 3.788 0 50 EHAA CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 2991931 BPSZFGAEMBGRAA-GFCCVEGCSA-N 348.306 3.942 0 50 EHAA CCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1 4970544 MDLDBIHONPLLMY-UHFFFAOYSA-N 340.832 3.551 0 50 EHAA CCOc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1F 5235133 HPTTWLATEMMSGN-UHFFFAOYSA-N 343.807 3.987 0 50 EHAA COC[C@@H](C)Oc1cccc(CN(C(=O)c2cccs2)C2CC2)c1 12190544 UODCAVQTOAIISA-CQSZACIVSA-N 345.464 3.967 0 50 EHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@@H](N(C)CC(C)C)C3 12212171 GBLBZCZYFMWXBA-CQSZACIVSA-N 347.528 3.703 0 50 EHAA CCc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 13331540 TZINSTIXWLEWNV-UHFFFAOYSA-N 334.872 3.926 0 50 EHAA O=C1CCN(C[C@@H]2CC=CCC2)CCN1Cc1ccccc1Cl 14987155 ZYKWRMYMQNBVKK-MRXNPFEDSA-N 332.875 3.731 0 50 EHAA CCOc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1 15839624 QVDGOZRFDWLYII-FQEVSTJZSA-N 332.403 4.000 0 50 EHAA CC[C@H](C)c1ccccc1OCCOCCN1C[C@H](C)O[C@@H](C)C1 16247804 VWQJKKNSUSBQTM-BZSNNMDCSA-N 335.488 3.705 0 50 EHAA Cc1cccc(-c2nc(CC(=O)Nc3ccccc3Cl)no2)c1 16578089 UAMGKKZAUKAQOP-UHFFFAOYSA-N 327.771 3.880 0 50 EHAA COc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1C 19537548 KBIYVNQGBIBVCK-RMKNXTFCSA-N 336.479 3.835 0 50 EHAA O=C(Nc1cccc2ccccc12)N1CCN(Cc2ccncc2)CC1 20467111 FTYOKCZYTPNHKW-UHFFFAOYSA-N 346.434 3.585 0 50 EHAA C[C@H](NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C)c1ccccc1 33088807 GJHDMLFTJTXVIE-KBPBESRZSA-N 332.403 3.610 0 50 EHAA Clc1ccc(CN2CCN(CCOc3ccccc3)CC2)cc1 39202320 JLPDMYWPJMERHV-UHFFFAOYSA-N 330.859 3.537 0 50 EHAA O=c1oc2ccccc2n1Cc1nc2cc(Cl)c(Cl)cc2[nH]1 55225037 MYJSWMXDKJUVOB-UHFFFAOYSA-N 334.162 3.826 0 50 EHAA Cn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(F)(F)F 65362141 SDUPLYBPNAJHCT-UHFFFAOYSA-N 337.223 3.710 0 50 EHAA CN(C)CC(C)(C)Cn1ccnc1-c1cnc(-c2cccs2)nc1 67785956 OTARUKIJDHRNJH-UHFFFAOYSA-N 341.484 3.656 0 50 EHAA C[C@@H](CCCC(C)(C)O)n1ccnc1-c1nc2ccccc2n1C 67805196 UIRNYOLUEOPTLL-AWEZNQCLSA-N 326.444 3.939 0 50 EHAA Cc1noc2ncnc(NCc3nc(-c4ccc(F)cc4)cs3)c12 91288847 PZGGCIOJJQQEBZ-UHFFFAOYSA-N 341.371 3.801 0 50 EHAA Cc1nn(C)c2nc(N(Cc3ccccc3)C[C@@H]3CCCO3)sc12 95527131 YGRUKRZRUIFPIG-HNNXBMFYSA-N 342.468 3.524 0 50 EHAA CCOc1cc(CNc2ccnc(C3CC3)n2)ccc1OC(F)F 110234436 IAWFWIYYAFJIQU-UHFFFAOYSA-N 335.354 3.966 0 50 EHAA CC(C)[C@@H](NCc1csc(C2CC2)n1)c1nnc2ccccn12 113332689 LLTBCBZGCGKLBH-OAHLLOKOSA-N 327.457 3.550 0 50 EHAA CCN(CC)c1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cn1 115335093 YTTJRLHVRRHFBW-GOSISDBHSA-N 339.439 3.570 0 50 EHAA C[C@H]1C[C@H](NC(=O)Nc2ccsc2)CCN1Cc1ccccc1 157155292 MNGQGRWQGKPIMI-GOEBONIOSA-N 329.469 3.923 0 50 EHAA Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC[C@@H]1C[C@H](C)O 170075792 DJPBPHIPZNNWEA-SWLSCSKDSA-N 345.468 3.886 0 50 EHAA CCCc1ncc(C(=O)N2C[C@@H](C)Oc3ccc(OC)cc32)s1 172717440 CLOFFNKJXUENJF-LLVKDONJSA-N 332.425 3.532 0 50 EHAA O=C(C[C@@H]1CCOc2ccccc21)Nc1ccnn1-c1ccccc1 174198415 OMTYTAUHRQYZSH-HNNXBMFYSA-N 333.391 3.767 0 50 EHAA O=C(c1ccccc1)N1CCCN(CCCCc2ccccc2)CC1 186541536 JXQONGPFNCSQCI-UHFFFAOYSA-N 336.479 3.857 0 50 EHAA COc1ccc(O)cc1C(=O)N(C)[C@H](C)c1cc2ccccc2o1 187634708 PFKJPJQPBISXHI-GFCCVEGCSA-N 325.364 3.980 0 50 EHAA Cc1ccsc1[C@H](Cc1ccccc1)NCc1nc(N(C)C)no1 192795052 JNALXJOLPJGOJW-HNNXBMFYSA-N 342.468 3.579 0 50 EHAA O=C(Cc1ccccc1C(F)(F)F)NCCCC[C@H]1CCCO1 222995629 WWBYFLQRKUVXFQ-AWEZNQCLSA-N 329.362 3.713 0 50 EHAA C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cnc2ccccc2n1 229636217 WSCDYOZJOCWCBA-STXHMFSFSA-N 347.418 3.621 0 50 EHAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-c2ccco2)nc1O 239882292 DAYUQZQWKUYCCK-XJKCOSOUSA-N 326.396 3.840 0 50 EHAA Cn1cc(C2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)cn1 241383493 MVSYBEFBDXUQIC-BPQIPLTHSA-N 329.488 3.733 0 50 EHAA CN1CCC(N(C)C(=O)c2ccccc2NC2CCCCC2)CC1 242048115 VSXCLPGKUGLQIW-UHFFFAOYSA-N 329.488 3.597 0 50 EHAA Cc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)C1 247949707 JLTYLGJBQZLBID-QLFBSQMISA-N 343.393 3.724 0 50 EHAA O=C([C@H]1C[C@H]1c1cccnc1)N(Cc1ccsc1)c1cccnc1 253431946 IJQLBPWAPGJRNA-ROUUACIJSA-N 335.432 3.875 0 50 EHAA C[C@@H]1CN(C(=O)NCc2nnc(C(C)(C)C)s2)[C@@H]1c1ccccc1 253431964 VVBICYAYPLNCDU-DOMZBBRYSA-N 344.484 3.738 0 50 EHAA COc1ccccc1C(=O)NCc1ncc(C(F)(F)F)cc1Cl 263640097 XPHOOCYFNAPEPJ-UHFFFAOYSA-N 344.720 3.692 0 50 EHAA Cn1cc([C@H]2OCCC[C@@H]2NCc2cc3ccccc3s2)cn1 275527260 LOMPDLZAYYHBCJ-FUHWJXTLSA-N 327.453 3.645 0 50 EHAA c1ccn2cc(CN3CCCC[C@@H]3c3nnc(C4CCC4)o3)nc2c1 286263104 NGDLGFAWDKTVEU-MRXNPFEDSA-N 337.427 3.712 0 50 EHAA Cc1ccc(-c2nc(C(=O)NC3CCC(C(=N)O)CC3)cs2)o1 331904819 HHIJVIMMGPMFMW-UHFFFAOYSA-N 333.413 3.535 0 50 EHAA CN1CC[C@]2(CCCN(C(=O)c3ccc(-c4cccs4)cc3)C2)C1 426612731 XZVIXNNSWZKUPB-HXUWFJFHSA-N 340.492 3.973 0 50 EHAA CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc2c(c1)CCO2 497421581 XWJRRPWAOLADDJ-LJQANCHMSA-N 345.464 3.639 0 50 EHAA CCCCCc1nc(-c2cc(C(F)F)[nH]n2)n(-c2ccncc2)n1 822859145 VDUSCXZEASSACE-UHFFFAOYSA-N 332.358 3.723 0 50 EHAA CCC[C@H]1C[C@H](c2nc(COc3ccc(Cl)nc3)no2)CCO1 864096534 DBWIMGMJALOUTE-NEPJUHHUSA-N 337.807 3.760 0 50 EHAA CC1(C)CC(CC(=O)Nc2cccc(-n3cccn3)c2)CC(C)(C)N1 952982250 YIPVCPWXZSTPAD-UHFFFAOYSA-N 340.471 3.758 0 50 EHAA Cc1ccc(-c2nnc(CN(C)Cc3cccc4cccnc34)o2)n1C 1529173068 LUEFPRSOMZOBJP-UHFFFAOYSA-N 347.422 3.564 0 50 EHAA CCCC[C@H]1CN(c2cc(C(=O)NC(C)C)ccn2)C[C@@H](C(C)C)O1 1615737385 VPCLFRYEAFOFKB-ROUUACIJSA-N 347.503 3.640 0 50 EHAA CCC[C@@H](NC(=O)C12CC(C)(CN1)C2)c1cccc(C(F)(F)F)c1 1875353636 AOVXLQCRBYRIRZ-ODIFPOPNSA-N 340.389 3.805 0 50 EHAA COc1ccc(-c2ccnc(N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)n2)cc1 2325840025 MFDAJFGWCYVHIA-CGTJXYLNSA-N 339.439 3.768 0 50 EHAA Cc1nccn1CCc1nc(O)c2cc(-c3ccccc3)ccc2n1 2325858620 USKHMZONIUWXSY-UHFFFAOYSA-N 330.391 3.750 0 50 EHAA COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccn2)cc1 54183 ZDZDTTQGPFHIPA-LJQANCHMSA-N 331.375 3.861 0 50 EHAA COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl 156678 NPOJQCVWMSKXDN-UHFFFAOYSA-N 331.966 3.873 0 50 EHAA biogenic,in-vitro CC1=C(C(=O)OC2CCC(C)CC2)[C@H](c2ccc(C)cc2)NC(=O)N1 191114 IXUSFIXDYADUET-AUCFXJAVSA-N 342.439 3.745 0 50 EHAA Nc1c(Nc2ccc(Br)cc2)c2ccccc2oc1=O 244317 YSOAHTPGHQZMCN-UHFFFAOYSA-N 331.169 3.881 0 50 EHAA Fc1ccc(COc2ccc3ccccc3c2CNc2nn[nH]n2)cc1 360062 LYKFBTUJYPLKCA-UHFFFAOYSA-N 349.369 3.683 0 50 EHAA Cc1ccc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C)CC2=O)c(C)c1 614034 UPKPHXNQKPUIGJ-KRWDZBQOSA-N 337.419 3.879 0 50 EHAA CCCCOc1ccc(NC(=O)COc2ccccc2OC)cc1 1799547 ZPNWWUUOXUDBJR-UHFFFAOYSA-N 329.396 3.892 0 50 EHAA COc1ccc(Cc2nn(CC(=O)c3ccccc3)c(=S)o2)cc1 2597849 PAILMBFXBCMODI-UHFFFAOYSA-N 340.404 3.688 0 50 EHAA O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 4118407 NEQLYBRADUDRNN-UHFFFAOYSA-N 335.812 3.842 0 50 EHAA CCOC(=O)c1cn(-c2ccc(C(C)=O)cc2)nc1-c1ccccc1 4542996 BSTRZHIOHNXXBN-UHFFFAOYSA-N 334.375 3.919 0 50 EHAA CC(=O)Oc1ccccc1C(=O)Oc1ccc(Br)cc1 4857817 PBEBMVORVOSRIK-UHFFFAOYSA-N 335.153 3.594 0 50 EHAA COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)no2)cc1OC 6872444 UVDCYHIAXYKQBS-UHFFFAOYSA-N 342.326 3.750 0 50 EHAA CC(=O)Nc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1 7610774 SFINAFSVYKWGPU-UHFFFAOYSA-N 326.396 3.932 0 50 EHAA Cc1nc[nH]c1CN[C@@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 12306437 MGJNRBQPBWSLPH-CQSZACIVSA-N 327.476 3.609 0 50 EHAA CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 12380873 MKRJMUJUFSFCOM-NSHDSACASA-N 332.787 3.704 0 50 EHAA O=C(Nc1ccc(F)cc1F)c1cnn2c(-c3ccco3)ccnc12 13644414 FFUUNJRYGDDLHL-UHFFFAOYSA-N 340.289 3.520 0 50 EHAA COc1ccc(CCNC(=O)Nc2ccc3c(c2)CCC3)cc1OC 20259010 JFRMUCHOQFLTTB-UHFFFAOYSA-N 340.423 3.557 0 50 EHAA Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(F)cc2)c1 20279868 KWCQPADSAVXKHB-SFHVURJKSA-N 340.398 3.686 0 50 EHAA CCN1CCC[C@H](CN2CCC(N(CC)Cc3ccccc3)CC2)C1 32523797 FRSCUQNEBUANQX-NRFANRHFSA-N 343.559 3.705 0 50 EHAA Cc1nc([C@H](C)n2ccnc2-c2ccc(-c3cc[nH]n3)o2)cs1 71736417 MLAVCMYCJICCMX-JTQLQIEISA-N 325.397 3.907 0 50 EHAA Cc1cc(C)nc(CN2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)n1 72122540 UTNYYDBDCZQFMV-KRWDZBQOSA-N 339.418 3.836 0 50 EHAA CCc1cc(NC[C@@H](c2cccs2)N(C)C)n2nc(C)c(C)c2n1 72477239 QNCTYULPKHTXFV-HNNXBMFYSA-N 343.500 3.685 0 50 EHAA CCc1nc(C)sc1CN1C[C@@H](C(=O)O)[C@H](c2ccccc2C)C1 91365085 KAWABWFBIBYSCV-JKSUJKDBSA-N 344.480 3.623 0 50 EHAA CC[C@@]1(C(=O)O)CCCN(Cc2cc(F)c(OC)c(Cl)c2)C1 91665404 RYEMIWPXQKKINO-MRXNPFEDSA-N 329.799 3.565 0 50 EHAA Cc1ncsc1CCc1nc(C2CC2)nn1CCc1ccccc1 95530357 RLYUPVXHEILQEX-UHFFFAOYSA-N 338.480 3.948 0 50 EHAA CSCc1noc([C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)n1 96150619 SEVUIKLBAJIRFK-CYBMUJFWSA-N 331.441 3.577 0 50 EHAA O=C(Nc1ccc(NC(=O)c2ccon2)cc1)c1ccc(Cl)cc1 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348.431 3.659 0 50 EHAA CC(C)OC(=O)N[C@@H]1Cc2[nH]c3ccc(Br)cc3c2C1 40566675 SOEQTVSZOBRUER-JTQLQIEISA-N 337.217 3.532 0 50 EHAA in-vitro CCN(Cc1c(C)nn(CC)c1C)Cc1cccn1-c1nccs1 55119095 QZASTZQDYHIKJS-UHFFFAOYSA-N 343.500 3.789 0 50 EHAA CCCN(Cc1ccc(OC)cc1)C(=O)Cc1nc(C)sc1C 55252231 AZUXSOMNFURJQL-UHFFFAOYSA-N 332.469 3.750 0 50 EHAA CC(C)c1cc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)on1 55271461 QDXAWZLOCQFVIT-UHFFFAOYSA-N 344.802 3.949 0 50 EHAA CCc1ccc(Cn2ccnc2-c2c(OC)ccc(F)c2F)nc1 71415570 XDNBGWNJNJTZPK-UHFFFAOYSA-N 329.350 3.843 0 50 EHAA COc1ccc2ccccc2c1Cn1ccnc1-c1cnc(C)n1C 71738432 IVQCFSKIWMGWLO-UHFFFAOYSA-N 332.407 3.802 0 50 EHAA COc1ncccc1C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 71749520 IEOJZTZUPUFRDY-INIZCTEOSA-N 342.414 3.714 0 50 EHAA Cc1nccn1-c1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1 72117471 DUWGHTJUWJABGQ-UHFFFAOYSA-N 343.789 3.903 0 50 EHAA CCn1ncnc1[C@@H](C)NC(=O)c1oc2c(Cl)cc(C)cc2c1C 77455529 JLDXOELJJBYICI-LLVKDONJSA-N 346.818 3.805 0 50 EHAA c1ccc(CN2C[C@@H]3CC[C@H](C2)N(Cc2nc4ccccc4[nH]2)C3)cc1 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EHAA Cc1ccc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)cc1 219118268 VCMMMVWYTQJYEH-JOCHJYFZSA-N 347.462 3.679 0 50 EHAA O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCN(c2ccc(F)cc2)CC1 219305242 FVCHUCUOZWABBH-UXHICEINSA-N 338.426 3.668 0 50 EHAA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1nc2ccccc2n1C 229714432 KMEGKUNWRCKTFT-BPUTZDHNSA-N 349.434 3.563 0 50 EHAA CCc1sc(C(=O)Nc2ccc(OCC(=O)O)cc2C)cc1C 237105327 CXNWBPFBRZKQPB-UHFFFAOYSA-N 333.409 3.643 0 50 EHAA Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CCC[C@H]1c1cccs1 241657657 PYEIANPYPXAHOY-UONOGXRCSA-N 346.456 3.702 0 50 EHAA C[C@@H]1CCCCN1[C@H](C)CNC(=S)Nc1ccc(F)cc1F 252457269 SBQVETZUMQYRSH-VXGBXAGGSA-N 327.444 3.514 0 50 EHAA COCCC1(CNC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)CCC1 252536237 HXMQEUPMJXLMCL-GFCCVEGCSA-N 336.398 3.566 0 50 EHAA CCc1nn(C)cc1NC(=O)N1CCC(c2ccccc2C)CC1 271532361 FSRVZGCFHJAZNP-UHFFFAOYSA-N 326.444 3.702 0 50 EHAA C[C@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)CCO1 272131490 VPSUTXWLMMEVFZ-NWDGAFQWSA-N 346.814 3.653 0 50 EHAA 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COc1ccc(-c2n[nH]cc2CNC(=O)N2CCCCCCC2)cc1 534655057 XWWSMAHQYUURHL-UHFFFAOYSA-N 342.443 3.561 0 50 EHAA Fc1cccc(Cl)c1Cc1nnc(SCCN2CCCC2)o1 789920772 QYSMUDUSENRMLJ-UHFFFAOYSA-N 341.839 3.641 0 50 EHAA CC[C@H]1CCN(c2nc(-c3ccc4c(c3)CCC(=O)N4C)cs2)C1 823327199 YWGNIZKBCVEXKT-ZDUSSCGKSA-N 341.480 3.955 0 50 EHAA COc1ccccc1[C@@H]1CCCN(c2nc3cnccc3n2C)CC1 866270996 AVHJHUNOKWQDCP-OAHLLOKOSA-N 336.439 3.751 0 50 EHAA CCC[C@@H](NC(=O)c1ccccc1N1CCOCC1)c1cccs1 952984965 PEPDMEPQVOXFKY-MRXNPFEDSA-N 344.480 3.856 0 50 EHAA CC[C@@H](CNc1noc(-c2ccccc2)c1C(=O)O)N1CCCCC1 1704312364 QHBYFFURCWWWRZ-HNNXBMFYSA-N 343.427 3.716 0 50 EHAA CCOC(=O)[C@@H]1[C@@H](C)C=C[C@H]2CN(c3nc4ccccc4s3)C[C@H]21 1857740307 MXLWMLOREIHCFM-SZOQZIPDSA-N 342.464 3.734 0 50 EHAA Cn1cc(Br)c(Cc2noc(C3CCCCCC3)n2)n1 1875338315 SYCCULOZHBQLPE-UHFFFAOYSA-N 339.237 3.594 0 50 EHAA CCc1ccc(S(=O)(=O)N2CC=C(c3cccc(C)c3C)CC2)o1 2325794231 VLKSTOOYGGSPKZ-UHFFFAOYSA-N 345.464 3.937 0 50 EHAA CC(C)N(C)Cc1ccc(NC(=O)c2csc3nnsc23)cc1 2325804418 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C[C@@H](N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cc(O)cc(F)c1 925647399 YOEDBLTXEAAGQB-HWPZZCPQSA-N 343.320 3.934 0 50 EHAA Cc1ccc(SCCOC(=O)c2nnc(O)c3ccccc23)cc1 952961933 UKUJEACKRVMTSO-UHFFFAOYSA-N 340.404 3.593 0 50 EHAA Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(F)c1 1875356216 KVTZEIFEIOKMCK-UHFFFAOYSA-N 335.734 3.867 0 50 EHAA Cc1cccc(N2CC[C@@H](NCc3ccc(-c4ccccn4)nc3)C2)c1 2325777541 JMHPNWDUBYLZBB-LJQANCHMSA-N 344.462 3.821 0 50 EHAA Cc1ccc2occ(C(=O)N[C@@H](C(=O)O)c3ccc(F)cc3F)c2c1 2325865382 AGDZQJVVNSTERI-MRXNPFEDSA-N 345.301 3.575 0 50 EHAA COc1ccc(-c2cc(-c3nccn3C[C@@H](C)OC)ccn2)cc1F 2356136212 KSGGSCGVSBIWAP-CYBMUJFWSA-N 341.386 3.795 0 50 EHAA COc1ccc(-c2ccc(CN3CCC[C@H](CO)C3)s2)cc1OC 2356148699 NXNPPBQDLOAIHJ-AWEZNQCLSA-N 347.480 3.637 0 50 EHAA CC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C(C)(C)C)cc1)CC2=O 106539 RVHCEQWAIPYKLJ-AWEZNQCLSA-N 337.423 3.645 0 50 EHAA COc1cc(OC)cc(C(=O)Nc2nc3c(C)cccc3s2)c1 190904 VXMRWKIPETZCGP-UHFFFAOYSA-N 328.393 3.874 0 50 EHAA Clc1cc(-n2cccn2)nc(-c2ccc(Br)cc2)n1 300012 AFGMRUKSODWZRV-UHFFFAOYSA-N 335.592 3.745 0 50 EHAA CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1C 339409 IDPJXISYSUXVOS-UHFFFAOYSA-N 329.787 3.843 0 50 EHAA CC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 434341 LGLJITWPBLARDW-UHFFFAOYSA-N 333.185 3.660 0 50 EHAA COc1ccc(OC)c(NC(=O)COc2ccc3ccccc3c2)c1 441144 FODDJXDIGICPEM-UHFFFAOYSA-N 337.375 3.875 0 50 EHAA O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)[C@H]1CCCO1 614039 XOXMEJYKFREBBK-MRXNPFEDSA-N 335.363 3.521 0 50 EHAA COC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 1215692 HLFHOGVEDGZAII-UHFFFAOYSA-N 335.359 3.644 0 50 EHAA Cc1[nH]c2ccc(Cl)cc2c1CCN1C(=O)OC(C)(C)[C@@]1(C)O 1238616 UFUNZEXKYATNSR-QGZVFWFLSA-N 336.819 3.612 0 50 EHAA CSCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccccc1)C2 2469449 LQMNRHKTKLVRCJ-CQSZACIVSA-N 343.448 3.756 0 50 EHAA CCCCc1nnc(NC(=O)c2ccc(SC)cc2OC)s1 2877177 VFHIANWILDFVCS-UHFFFAOYSA-N 337.470 3.864 0 50 EHAA COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccc(F)cc1 4488507 ACTFAIZNLJPPQB-SFHVURJKSA-N 345.414 3.682 0 50 EHAA CSc1nsc(SCC(=O)Nc2ccc(Cl)cc2)n1 4502701 AXZAMDFZJPCCOU-UHFFFAOYSA-N 331.875 3.644 0 50 EHAA O=C(Nc1nnc(CCCOc2ccccc2)s1)c1cccs1 6701434 TXFJNSCGDSLWBA-UHFFFAOYSA-N 345.449 3.864 0 50 EHAA CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C=C(C)C)O2 12039350 DFDSLYWRPPNXHP-SFHVURJKSA-N 349.430 3.942 0 50 EHAA Cc1nn(C)cc1CN1CCC[C@@H](C(=O)c2cccc3ccccc23)C1 12581882 RVTCNQBVZIHZAO-GOSISDBHSA-N 347.462 3.977 0 50 EHAA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NC(=O)C2CCC2)C1 12588285 SKRCWORXWKAUJA-KRWDZBQOSA-N 341.430 3.941 0 50 EHAA Cc1ccccc1CC[C@H]1CCCN(C(=O)c2snnc2C)C1 12709118 RBCHVKODMORZJV-OAHLLOKOSA-N 329.469 3.640 0 50 EHAA CC[C@@H](C)c1ccc(S(=O)(=O)N(C)Cc2cn(CC)nc2C)cc1 14226336 YPPYDKWHELMELY-CQSZACIVSA-N 349.500 3.546 0 50 EHAA CC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3)c2C(C)C)c1 16626586 RHQNDDNHUKBNBP-UHFFFAOYSA-N 348.406 3.846 0 50 EHAA Cc1ccc(C(=O)N/C(=C\C=C\c2ccccc2)C(=O)NC(C)C)cc1 16711556 HKFUSQHYCPNOOY-VTGAJVDQSA-N 348.446 3.847 0 50 EHAA O=C([C@H]1CC=CCC1)N1CCC[C@H]2CN(Cc3cccs3)CC[C@@H]21 43641754 UAVGTLKTEFEOPG-LNLFQRSKSA-N 344.524 3.917 0 50 EHAA CN(CCCc1ccccc1)C(=O)c1cc(COc2ccccc2)[nH]n1 67562048 JQJRNZCUKWLIHO-UHFFFAOYSA-N 349.434 3.694 0 50 EHAA CC[C@H](C)Sc1ncc(-c2nc3cc(C(=O)OC)ccc3[nH]2)cn1 67934508 HIKOIIJWGBEAPA-JTQLQIEISA-N 342.424 3.697 0 50 EHAA Cc1[nH]c2ccc(CNc3cc(C(=O)NC(C)C)ccn3)cc2c1C 71745522 DLXVULXVFIWBKS-UHFFFAOYSA-N 336.439 3.930 0 50 EHAA CN1CCC(N(Cc2ccncc2)Cc2cc(F)cc(Cl)c2)CC1 72132048 MEDZOIKTMAJWNT-UHFFFAOYSA-N 347.865 3.971 0 50 EHAA Cc1nc(CNc2cc(-c3ccc(F)cc3)nc3ccnn23)cs1 72419873 JLYRJLFRUXWALG-UHFFFAOYSA-N 339.399 3.912 0 50 EHAA CN1C[C@@]2(CCCN(Cc3ccc4c(c3)Cc3ccccc3-4)C2)OC1=O 72423857 ONZSHHDWKZNZCE-JOCHJYFZSA-N 348.446 3.674 0 50 EHAA COCC[C@]1(O)CCN(Cc2cccc(-c3ccccc3)c2)C[C@H]1C 91746951 MYVVEMSFQFKQOH-XMSQKQJNSA-N 339.479 3.963 0 50 EHAA COCCc1noc(-c2cc(-c3ccncc3)nc3ccccc23)n1 95378705 FUZHPOCKCNFTHE-UHFFFAOYSA-N 332.363 3.536 0 50 EHAA O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccc2ccccc2c1O 95628425 KHJNISGKGIHTMY-UHFFFAOYSA-N 346.386 3.705 0 50 EHAA in-vitro COCC[C@H]1CN(Cc2cccc(Oc3ccccc3)c2)CCO1 97468069 DSHIOAXQTMXNQH-FQEVSTJZSA-N 327.424 3.716 0 50 EHAA CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)sc2c1CCC2 101706302 SAJLSRCCEAKDQW-GVXVVHGQSA-N 333.453 3.788 0 50 EHAA COc1ccc(C(=O)N(C)C)cc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 129313591 FSWKVKROYRWWEC-OLZOCXBDSA-N 344.377 3.930 0 50 EHAA O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1c(O)cccc1F 133829691 QYQPYYSEXPZTTI-HNNXBMFYSA-N 341.342 3.511 0 50 EHAA CC(=O)c1cnc(NC(=O)c2cc(C(F)(F)F)ccc2F)s1 156303584 QPXFXIWLIQUDNT-UHFFFAOYSA-N 332.278 3.756 0 50 EHAA Cc1c(C(=O)N[C@@H]2CCOc3c(Cl)cccc32)cnn1CC(C)C 179783739 KNIFXQXEJJVZRW-MRXNPFEDSA-N 347.846 3.755 0 50 EHAA CCn1c(NC(=O)c2cnn(C(C)(C)C)c2)nc2cc(C)ccc21 182507866 DVGAOVUZNHOKGP-UHFFFAOYSA-N 325.416 3.568 0 50 EHAA CC(C)C(C)(C)CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 190015714 PVMTVLASSPSVSX-MRXNPFEDSA-N 346.519 3.588 0 50 EHAA CC(C)(C)n1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)nn1 191216697 KRHDUQQUADQEMT-AWEZNQCLSA-N 339.443 3.554 0 50 EHAA O=C(Nc1cccc(Cl)c1Br)N[C@@H]1C[C@H]2CC[C@@H]1O2 191712465 YBQMICAHODLLKW-ONOSFVFSSA-N 345.624 3.544 0 50 EHAA Cc1nn(-c2ccc(F)cc2)c(C)c1CN(C)[C@@H](C)c1ccncn1 215781926 GUOLDCNIIDDYHU-HNNXBMFYSA-N 339.418 3.611 0 50 EHAA COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1CCn1cccn1 221367239 HJJDGTMSDCCVFU-OAHLLOKOSA-N 347.846 3.630 0 50 EHAA c1cncc(-c2nc(N3CCCO[C@H]4CCC[C@H]43)c3ccccc3n2)c1 225224314 BTTRAWZHFLDFOK-MOPGFXCFSA-N 346.434 3.840 0 50 EHAA CCOc1ccc(CNC2CCC(O)(c3cccnc3)CC2)cc1F 242242311 XTTXFNQOVDQWQM-UHFFFAOYSA-N 344.430 3.539 0 50 EHAA CCN(C(=O)CCN1CCC[C@H]1c1ccccn1)c1ccccc1C 244659419 HCGMGLDJQAWGTM-FQEVSTJZSA-N 337.467 3.970 0 50 EHAA Cc1nc(CCN2CCN(c3cc(Cl)ccc3C)CC2)cs1 244716064 LHRZZCJXOICLOI-UHFFFAOYSA-N 335.904 3.778 0 50 EHAA CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCCOC1 253415299 DLHUFYWEGRHJSC-LSDHHAIUSA-N 343.389 3.817 0 50 EHAA O=C(NCc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CC[C@H](O)CC1 299758370 PBUCXMVVXMJDDW-NNUKFRKNSA-N 333.815 3.767 0 50 EHAA COc1ccc2c(C(=O)N(C)CCC[C@H]3CCCO3)cc(C)nc2c1 299763386 VFGYFCPQNAFDQH-HNNXBMFYSA-N 342.439 3.583 0 50 EHAA O=C(c1cccnc1C(F)(F)F)N1CC[C@@H](c2ccc(F)cc2)C1 328588626 LVEOAXHBMNEVSU-GFCCVEGCSA-N 338.304 3.869 0 50 EHAA COc1cccc([C@@H]2CCCN2C(=O)c2onc3c2CCCC3)c1 426370853 VWGYWVOUFUUQMH-KRWDZBQOSA-N 326.396 3.539 0 50 EHAA CN(Cc1ccsc1)C(=O)NCC1(c2ccccc2)CCOCC1 426674359 XQYVOCJHTADVFR-UHFFFAOYSA-N 344.480 3.638 0 50 EHAA CCCCOc1ccc(C)cc1-c1ccc(S(N)(=O)=O)s1 534639387 JQQRFSWZNBHLHG-UHFFFAOYSA-N 325.455 3.550 0 50 EHAA COc1cccc(Cn2c(NC[C@H](C)O)nc3ccccc32)c1Cl 663920932 IENVQVTUEROBHU-LBPRGKRZSA-N 345.830 3.539 0 50 EHAA C[C@H](Cc1ccsc1)NC(=O)[C@H](N)c1cccc(C(F)(F)F)c1 876612054 AHNWAWLSYQJUTC-QMTHXVAHSA-N 342.386 3.514 0 50 EHAA Cc1c(/C=C/c2nnc([C@@H]3CCCO[C@H]3C(C)(C)C)o2)cnn1C 886085410 GOJPHSYHXCRBQX-MOIGAOQCSA-N 330.432 3.591 0 50 EHAA CC(C)[C@@]1(C(=O)O)C[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 899785183 FIHWJMFLFXCTLY-LPHOPBHVSA-N 340.379 3.559 0 50 EHAA CCc1c(C(=O)N(C)c2ccc(C)cc2C)cnn1-c1ccccn1 918661350 XJAHTZUIFUFXKD-UHFFFAOYSA-N 334.423 3.723 0 50 EHAA COc1cc2c(cc1OC)C1(CCC1)N(C(=O)[C@@H]1C[C@H]1C(C)C)CC2 928155839 NINWQJJSLVIONI-JKSUJKDBSA-N 343.467 3.760 0 50 EHAA CCCc1nc(C)c(NC(=O)N2CCC(c3ccn(C)n3)CC2)s1 930942113 SLKACKGXKUVJRV-UHFFFAOYSA-N 347.488 3.549 0 50 EHAA CCc1nccn1CCC(=O)NCc1ccc(-c2ccc(F)cc2)o1 952973754 YLAFSQFRLMELPC-UHFFFAOYSA-N 341.386 3.551 0 50 EHAA Clc1cccnc1N1CCN(Cc2cccc3[nH]ccc23)CC1 952983004 ICQVXUZTXGXRRT-UHFFFAOYSA-N 326.831 3.539 0 50 EHAA CCc1cc(NC(=O)N2CCC(c3nc4c(s3)CCC4)CC2)no1 1341207252 NULDYHGGCWYDHC-UHFFFAOYSA-N 346.456 3.594 0 50 EHAA Cc1ncc2c(n1)[C@]1(CCCN(CCCC(=O)c3ccccc3)C1)CC2 1704304417 RFQKJQPVTXOMDA-JOCHJYFZSA-N 349.478 3.728 0 50 EHAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1conc1C1CC1 1875305173 JWTAMGRTJBBBLJ-KOMQPUFPSA-N 326.396 3.672 0 50 EHAA COc1cccc([C@H](CNC(=O)C[C@@]23CCC[C@@H]2C3)N2CCCC2)c1 1875308872 DRGINEVOVNSWGX-LMNJBCLMSA-N 342.483 3.529 0 50 EHAA Cc1nc(-c2ccccc2)c(NC(=O)[C@@H]2COc3ccccc3C2)n1C 1940196409 JKGKNABREUPHBH-KRWDZBQOSA-N 347.418 3.585 0 50 EHAA c1cc(CNCc2cccc3c2OCCCO3)cc(-c2cn[nH]c2)c1 2325788538 NASKVYHVNZEGTH-UHFFFAOYSA-N 335.407 3.528 0 50 EHAA COc1cc(-c2cc(NS(C)(=O)=O)ccc2C)cc2cccnc12 2325875445 SAOZHAOFEVVNTG-UHFFFAOYSA-N 342.420 3.590 0 50 EHAA COc1cc(-c2nc(-c3cccc(C)c3)no2)cc(OC)c1OC 91474 HCFQCWLMYDJUKM-UHFFFAOYSA-N 326.352 3.738 0 50 EHAA COC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)C 133478 JLVAZLSEKCOOHZ-UHFFFAOYSA-N 327.380 3.614 0 50 EHAA COC(=O)c1cc(O)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2 391667 WAUGRGIYXIPCRC-UHFFFAOYSA-N 348.354 3.851 0 50 EHAA COc1ccc(OC)c(C(=O)c2coc3ccc(OC(C)=O)cc23)c1 431649 PVFLFOWMYQUVLK-UHFFFAOYSA-N 340.331 3.606 0 50 EHAA Brc1cccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c1 442770 KVPUQJAGCNWQMC-UHFFFAOYSA-N 345.152 3.895 0 50 EHAA CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(C)cc2O)cc1 455915 BLNUJWPOTJMXJN-UHFFFAOYSA-N 344.436 3.535 0 50 EHAA COc1cc(NC(=O)c2ccccc2OC)ccc1NC(=O)C(C)C 557709 KJSYREVTKRCWDW-UHFFFAOYSA-N 342.395 3.551 0 50 EHAA Oc1ccc(Nc2nc(NC[C@H]3CCCO3)c3ccccc3n2)cc1 572928 FWGCVDCPEJDAJG-OAHLLOKOSA-N 336.395 3.670 0 50 EHAA O=S(=O)(NCc1ccccc1)c1ccc2c(c1)Cc1ccccc1-2 1061166 QWYPQDHFDFJKAW-UHFFFAOYSA-N 335.428 3.736 0 50 EHAA O=C(CCCOc1ccc(Cl)cc1Cl)NCc1cccnc1 2865063 LWNXFDSZKOOSMQ-UHFFFAOYSA-N 339.222 3.864 0 50 EHAA Clc1ccc(OCCOCCN2CCCC2)c(Br)c1 3460877 CEJQMXHFGHXCOJ-UHFFFAOYSA-N 348.668 3.594 0 50 EHAA CCC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1 4824765 SCEGODWYAUFWNA-UHFFFAOYSA-N 346.770 3.639 0 50 EHAA CCn1c(S)nnc1CCCOc1ccc(Cl)cc1Cl 6878240 XFWYRFLHGBMWKQ-UHFFFAOYSA-N 332.256 3.905 0 50 EHAA Fc1ccc(-c2ccc(CN[C@@H]3CN4CCC3CC4)o2)cc1Cl 20477347 ASYRTUIOWORHKC-QGZVFWFLSA-N 334.822 3.923 0 50 EHAA CC(C)Nc1ncc(C(=O)N(Cc2ccco2)[C@@H](C)C(C)C)cn1 55568799 DTXIGCWKODKQNA-AWEZNQCLSA-N 330.432 3.577 0 50 EHAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)C1 101270860 KUFRUMHEWLMNLW-LGWHJFRWSA-N 333.472 3.536 0 50 EHAA Cc1cc(-n2cccn2)ccc1[C@@H]1CC(=O)Nc2n[nH]c(C3CCC3)c21 65427976 JNEOVTPWLLXOHI-INIZCTEOSA-N 347.422 3.645 0 50 EHAA COc1ccc(C[C@@H]2CC[C@H](CN3CCCC3)O2)cc1C(F)(F)F 67697017 MZPFUQWUDYAEJB-LSDHHAIUSA-N 343.389 3.900 0 50 EHAA Cc1cccc(SC2CCN(Cc3ncccc3C(=O)O)CC2)c1 65380456 PYLQLOOUZRAJDD-UHFFFAOYSA-N 342.464 3.845 0 50 EHAA O=C([C@@H]1C[C@H]1c1ccco1)N1CCC[C@@H](COc2ccccc2)C1 229814910 RYDCIRSAUQPPJH-KBAYOESNSA-N 325.408 3.701 0 50 EHAA c1ccc2c(c1)CCSC[C@@H]2NCc1ccc(C2OCCO2)cc1 252496735 PQLGTXVMUYZZAX-IBGZPJMESA-N 341.476 3.852 0 50 EHAA Fc1cccc(Cl)c1CNc1ccc2nnc(C(F)(F)F)n2n1 32104779 SZOKRQRVAUHAOJ-UHFFFAOYSA-N 345.687 3.548 0 50 EHAA O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@H]1c1ccc(F)cc1 35476533 DWMYXKKPZFOTDF-INIZCTEOSA-N 342.370 3.966 0 50 EHAA O=C(NCc1cccs1)c1cc2nc(C3CC3)cc(C(F)F)n2n1 2778833 HNNWBLMGLKSCDH-UHFFFAOYSA-N 348.378 3.536 0 50 EHAA CC(=O)c1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 3049258 FDROBTLZGHHERX-UHFFFAOYSA-N 331.437 3.988 0 50 EHAA Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1F 5814970 WRVXCZVAZKXKTO-UHFFFAOYSA-N 344.205 3.697 0 50 EHAA CCCOc1ccc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1Cl 77556257 OFOMQQHTSUWEDF-AWEZNQCLSA-N 347.846 3.872 0 50 EHAA O=C(Cc1c[nH]c2ccccc12)Nc1ccc2oc(C(=O)O)cc2c1 439989424 MTZNJPFDYTXMOH-UHFFFAOYSA-N 334.331 3.794 0 50 EHAA Cn1c(-c2ccccc2Cl)nc2cc(C(=O)NC3CCC3)cnc21 77540764 RISDCFMPXIGFFB-UHFFFAOYSA-N 340.814 3.571 0 50 EHAA O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cc(O)ccc1Cl 368101428 UCSUAZPIGXKRPJ-AWEZNQCLSA-N 344.842 3.692 0 50 EHAA C[C@@H](NC(=O)[C@H](CN)c1ccccc1)c1cccc(C(F)(F)F)c1 237413012 MNEZCMPWGAJJRK-MLGOLLRUSA-N 336.357 3.625 0 50 EHAA Cn1ncc2c(N[C@H](COc3ccccc3)c3ccccc3)ncnc21 337867006 LGIUYEREPYDOKD-GOSISDBHSA-N 345.406 3.596 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N[C@@H](COC)c3ccccn3)c2c1 77522725 WJYXSPCJKDZWDB-FQEVSTJZSA-N 349.434 3.618 0 50 EHAA COc1ccc(NC(=O)c2cccc(Oc3ccc(C)nn3)c2)cc1 72446658 VSFNBGMLOZNWTF-UHFFFAOYSA-N 335.363 3.838 0 50 EHAA Cc1cc(C(=O)NCCCCc2ccccn2)c2cccc(C)c2n1 82096626 KBZWXPXOVWMINA-UHFFFAOYSA-N 333.435 3.999 0 50 EHAA Cc1c([C@H](C)NC(=O)C(C)(C)n2cccc2)cnn1-c1ccccc1 91793243 IRBWVUVCQYZNJK-HNNXBMFYSA-N 336.439 3.595 0 50 EHAA Cc1cc(NCc2cc(Br)c3c(c2)OCCCO3)no1 181461528 NUQPZJMUTHJZID-UHFFFAOYSA-N 339.189 3.519 0 50 EHAA CNc1ccnc(N[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)n1 91965037 CIMHQQGOLVYPDU-KRWDZBQOSA-N 348.454 3.810 0 50 EHAA CN(C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C1CCNCC1 237108115 XMBIIQRZRAOFSU-UHFFFAOYSA-N 346.377 3.581 0 50 EHAA COc1ccccc1-c1ccc(NC(=O)N2CCCC[C@H]2CO)cc1 95496529 NCOCJEBOKCBKIP-KRWDZBQOSA-N 340.423 3.741 0 50 EHAA CCc1nnc(CNC(=O)Nc2cc(F)cc(C(F)(F)F)c2)s1 95530721 HZTQZDMRYRADIQ-UHFFFAOYSA-N 348.325 3.580 0 50 EHAA O=C(c1ccccn1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 163640594 KQIGFFKZFKZZIW-UHFFFAOYSA-N 329.403 3.948 0 50 EHAA CO[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C(C)C)nn3)cc2)C1 534635510 PSHCVFIHJFJMSJ-KRWDZBQOSA-N 339.439 3.518 0 50 EHAA Cn1ccc(NC(=O)C[C@@H](c2cccc3ccccc23)n2cccc2)n1 263588655 WTZNQCCVPVTOKP-IBGZPJMESA-N 344.418 3.993 0 50 EHAA CCc1ccccc1NC(=O)N1CCC(Oc2ccncc2)CC1 299768788 ZDFXGBFUNBZBDI-UHFFFAOYSA-N 325.412 3.719 0 50 EHAA O=C(CCCc1ccc(O)cc1)Nc1ccc(Nc2ncccn2)cc1 1875265146 QQQOAXNTORIVBZ-UHFFFAOYSA-N 348.406 3.887 0 50 EHAA Cc1c([C@H](C)NC[C@@H]2CCO[C@H]2c2ncc[nH]2)oc2ccccc12 888078143 PASNDQZMMQIHNK-SUNYJGFJSA-N 325.412 3.893 0 50 EHAA Cc1ncsc1C(=O)N1CCC(c2nc3cccc(C)c3o2)CC1 188526774 LWDSXULRVRKSKN-UHFFFAOYSA-N 341.436 3.921 0 50 EHAA Cc1cc(C)nc(CN(C)C(=O)[C@@H](C)Nc2c(C)cccc2C)c1 1506413640 JMTLQMLHTAUSNI-QGZVFWFLSA-N 325.456 3.774 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 295301 NAEOKZYYHWFPCK-UHFFFAOYSA-N 326.215 3.558 0 50 EHAA in-vitro CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(CC2CC2)C1 11770393 VJLFNOJENDORHC-HXUWFJFHSA-N 331.456 3.511 0 50 EHAA CN(C)c1ncc2c(n1)CCC[C@@H]2NCc1ccccc1-c1ccco1 11843676 LNOTVZIDPCDXTO-SFHVURJKSA-N 348.450 3.970 0 50 EHAA Cc1ncc(CN2CCC[C@@](CO)(Cc3ccccc3C)C2)s1 15077674 WCDWAPWNHWDSNF-LJQANCHMSA-N 330.497 3.577 0 50 EHAA O=C(O)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1 2549578 HUTHTKGQAQFYIH-UHFFFAOYSA-N 326.633 3.751 0 50 EHAA in-vitro COC(=O)[C@@H](c1cccnc1)N1CCC(c2c[nH]c3ccccc23)CC1 121789090 CGQVQJYQJQXXST-HXUWFJFHSA-N 349.434 3.657 0 50 EHAA CCCc1ncc(CNCc2ccc(OCC(F)(F)F)cc2)o1 449614216 UWTWRVFMWFOYGH-UHFFFAOYSA-N 328.334 3.858 0 50 EHAA O=C(c1cc(=O)c2ccccc2o1)N1CCc2c(Cl)cccc21 161540261 JBSNNQQHKUCYSV-UHFFFAOYSA-N 325.751 3.649 0 50 EHAA Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(C(F)F)ncn1 929705419 UBVSRTIQKAMCRT-OAHLLOKOSA-N 334.370 3.510 0 50 EHAA O=C(NCc1cccnc1)c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 1859443848 BPYQNWHTPCCKOK-UHFFFAOYSA-N 346.365 3.694 0 50 EHAA Cc1cc(Br)cc2[nH]c(CN(C)CCn3cccn3)cc12 2325859064 MNZKFKFYHFKVOK-UHFFFAOYSA-N 347.260 3.567 0 50 EHAA COC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(F)cc3)cc12 307584 UOGQGFFTUFHVLZ-UHFFFAOYSA-N 328.295 3.886 0 50 EHAA biogenic O=S(=O)(Cc1ccccc1)N(Cc1ccccc1)c1ccccn1 377483 HLAHJGFARCSGSJ-UHFFFAOYSA-N 338.432 3.618 0 50 EHAA COC(=O)c1sccc1NC(=O)COc1cc(C)ccc1Cl 1055175 ZKRHDMJMDGEGNK-UHFFFAOYSA-N 339.800 3.514 0 50 EHAA CCCOc1ccc(CC(=O)NCc2ccccc2Cl)cc1OC 2867310 CMYXSFHWOHMHCG-UHFFFAOYSA-N 347.842 3.996 0 50 EHAA COc1cc(NC(C)=O)c(Cl)cc1C(=O)N1CCc2ccccc21 4436611 LTFLMJCIMQLOSV-UHFFFAOYSA-N 344.798 3.510 0 50 EHAA O=C(CC1CC1)NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 11839841 KOMBDQVRDQUGFW-INIZCTEOSA-N 342.826 3.622 0 50 EHAA COc1ccccc1-n1nnc(-c2nnc(-c3ccc(C)cc3)o2)c1C 12274024 XXIQBJRWBHWZNA-UHFFFAOYSA-N 347.378 3.610 0 50 EHAA C/C=C(\C)C(=O)N1CC[C@]2(CCCN(CCCc3ccccc3)C2)C1 14968463 HAXILJLKBDJGOI-WGFBDINHSA-N 340.511 3.900 0 50 EHAA Cc1cc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)c(C)o1 16602964 HZEJYQXYKPGHHW-UHFFFAOYSA-N 332.831 3.508 0 50 EHAA Cc1nn(C)c(C)c1CNC(=S)Nc1cccc(Cl)c1Cl 17071634 ZFKIFGWHFSTFSM-UHFFFAOYSA-N 343.283 3.830 0 50 EHAA CC(C)c1nc(Cn2ccc(-c3cccc(-c4cnccn4)c3)n2)no1 23368838 MIRROHXQFOFQLF-UHFFFAOYSA-N 346.394 3.562 0 50 EHAA COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](N)c2ccccc2)cc1 38344956 FMXHUQVRXDIDLF-NRFANRHFSA-N 349.430 3.640 0 50 EHAA Cc1ccnc([C@@H](Nc2cc(C3CCNCC3)nc(C)n2)C2CC2)c1 67894753 OMOKLJDSEYENSE-FQEVSTJZSA-N 337.471 3.519 0 50 EHAA COc1ccccc1OC1CN(Cc2cccc([C@H](C)N(C)C)c2)C1 72478851 SFRTXKRPANDASR-INIZCTEOSA-N 340.467 3.581 0 50 EHAA COc1ccc(/C=C/CN2CCCC[C@H]2CCc2nccn2C)cc1 77554917 CITLRPNRMJCOIU-UEKDZROGSA-N 339.483 3.929 0 50 EHAA Cc1cc(C)cc(CSCC(=O)N(C)Cc2noc(C(C)C)n2)c1 91390746 SXEFIQCMTVSBIU-UHFFFAOYSA-N 347.484 3.702 0 50 EHAA Cc1ccc(-c2cccc(C(=O)N3CC[C@](C)(O)C(C)(C)C3)c2)o1 91877245 DVVTXPUUFYQUMF-FQEVSTJZSA-N 327.424 3.878 0 50 EHAA O=C(c1cccn1C1CC1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 95383815 XVPCAXYMPMOMQY-AZUAARDMSA-N 349.478 3.560 0 50 EHAA O=C(c1cccc(Cn2cccn2)c1)N1CCCC[C@H]1c1cccnc1 96131055 JTVWXOKXZVDRLZ-FQEVSTJZSA-N 346.434 3.694 0 50 EHAA O=S1(=O)C=C[C@H](Cc2nc(C3CCCC3)nn2C2CCCCC2)C1 96151546 POKACLCPPUBLRP-CQSZACIVSA-N 349.500 3.542 0 50 EHAA CC(C)Nc1ncc(-c2nc(C3CC3)nn2C2CCCCC2)cn1 96162633 CMWCBJQPNHJWLG-UHFFFAOYSA-N 326.448 3.938 0 50 EHAA O=C(CC[C@H]1CCCO1)N[C@H](c1cccc(Cl)c1)c1ccccn1 126568861 DCAYFUNRBVXXBX-VQIMIIECSA-N 344.842 3.900 0 50 EHAA CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)O 137430904 MZUHHHSFDVDBCZ-MRXNPFEDSA-N 329.481 3.639 0 50 EHAA biogenic,in-vitro Cc1ccsc1-c1nc([C@H]2CC(=O)N(C3CCCCC3)C2)no1 169762157 QZBNNYFSGUVUTH-LBPRGKRZSA-N 331.441 3.755 0 50 EHAA O=C(C1CCCC1)N1CC[C@H](N[C@@H](c2ccccc2)c2ccncc2)C1 170070145 BTZLNNULIIMHLU-SFTDATJTSA-N 349.478 3.552 0 50 EHAA CCc1cnc(CCNc2nccc(C)c2Br)s1 170616261 QUNZCHDJEKUMJW-UHFFFAOYSA-N 326.263 3.826 0 50 EHAA CS[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccncc1)CCC2 187313946 JYPGWPRTGPDKHZ-SNVBAGLBSA-N 346.477 3.553 0 50 EHAA O=C(N[C@H]1CCCc2c(O)cccc21)c1c[nH]nc1-c1ccccc1 190279249 DBMMBARZGOCBLA-KRWDZBQOSA-N 333.391 3.590 0 50 EHAA CN(Cc1ccccc1CN1CCCC1)C[C@H]1CCOC(C)(C)C1 215081047 JDCICIYKVMCOKG-SFHVURJKSA-N 330.516 3.919 0 50 EHAA COc1ccccc1N1CCN(Cc2csc(C(C)=O)c2)[C@H](C)C1 215311081 FPWORZSIZXCTGZ-CQSZACIVSA-N 344.480 3.670 0 50 EHAA COc1cc(CN2CCN(C)C(C)(C)C2)ccc1OCC=C(C)C 215913092 NCLAXRWKIDIRQV-UHFFFAOYSA-N 332.488 3.566 0 50 EHAA CCOC(=O)[C@@H]1CCC[C@@H](CNc2ccccc2O[C@H]2CCOC2)C1 225408789 JHCWDBUFZMMZRW-ZACQAIPSSA-N 347.455 3.636 0 50 EHAA O=C1Cc2ccc(C(=O)Nc3cccc(-c4nccs4)c3)cc2N1 225496246 QURITWWCMIDJGF-UHFFFAOYSA-N 335.388 3.557 0 50 EHAA O=C(CCCN1CCc2ccccc21)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 225805937 YJAFZTVHCPOTMW-WWPVKYPJSA-N 346.474 3.674 0 50 EHAA COc1ccc(CCN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(Cl)c1 239539178 AVQRSXCEGMQWEE-KBAYOESNSA-N 335.875 3.828 0 50 EHAA CC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)CC2 241719812 QPVCPXIFYLDTSO-OTRWWLKZSA-N 348.437 3.542 0 50 EHAA O=C(O)C[C@H]1CCCCN1C(=O)c1ccc(-c2cccc(F)c2)cc1 244884022 YDTQPSKGUMLSED-GOSISDBHSA-N 341.382 3.962 0 50 EHAA C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@@H](N(C)C)CC1 252490722 KZQPGAWBYCKPMV-UONOGXRCSA-N 348.491 3.821 0 50 EHAA Cc1ccc([C@H](NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C(C)(C)C)o1 252513110 XJEYDIQOHBTAIW-UNEWFSDZSA-N 335.492 3.657 0 50 EHAA O=C(c1cccc(F)c1)N(Cc1ccsc1)[C@@H]1CC12CCNCC2 275872506 ZZVFRPXGESZAPU-QGZVFWFLSA-N 344.455 3.672 0 50 EHAA Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cn(C)nc1C(C)C)CCC2 280862947 YBPQSDAXHAFXTD-AWEZNQCLSA-N 347.488 3.850 0 50 EHAA Cn1cc(NC(=O)N2CCC(C(F)F)CC2)c(C2CCCCC2)n1 333733725 WXYQEYNQKJDWSV-UHFFFAOYSA-N 340.418 3.977 0 50 EHAA CCN(C(=O)c1cccc(C(=O)NC2CC2)c1)c1ccccc1Cl 408514322 NATZDEVWQKFUPV-UHFFFAOYSA-N 342.826 3.899 0 50 EHAA CCCc1nc(C)c(C(=O)N2CCC=C(c3ccccn3)C2)s1 408517656 LTKWUQQYOANRLN-UHFFFAOYSA-N 327.453 3.729 0 50 EHAA CCc1cc(Cl)ccc1NC(=O)N[C@@H](c1nccn1C)C1CC1 426674373 YOYDBAHLUQBWBT-OAHLLOKOSA-N 332.835 3.909 0 50 EHAA CCCN(Cc1nccn1C)C(=O)N[C@H](C)c1ccc(OCC)cc1 534642942 QVWRSWMQJICMPO-OAHLLOKOSA-N 344.459 3.502 0 50 EHAA FC(F)(F)[C@H](Sc1n[nH]c(Cc2cccs2)n1)[C@@H]1CCOC1 901447101 JTAVHSUBZKLGGR-LDYMZIIASA-N 349.403 3.517 0 50 EHAA O=C(N[C@@H](c1cccc(Cl)c1)C(F)F)N[C@@H]1CCO[C@H]1C1CC1 932430057 VKGONQCZDAZGTQ-RDBSUJKOSA-N 344.789 3.513 0 50 EHAA CC(C)c1nccn1CCCNC[C@H](C)Cc1ccc2c(c1)OCO2 952978952 CKZHQQSWCMBKSF-MRXNPFEDSA-N 343.471 3.594 0 50 EHAA Cc1ccc(-c2nnc(NC(=O)CC[C@H]3CCCCN3C)s2)cc1 1506427915 VEXGOQCVQFYUSW-OAHLLOKOSA-N 344.484 3.717 0 50 EHAA Cc1cccc(-c2ccc(CN3C[C@@H]4CCCN4C(=O)[C@@H]3C)cc2)c1 1772706288 WFEPWSAOXIQVKZ-UWJYYQICSA-N 334.463 3.857 0 50 EHAA O=C(O)c1ccc(CN[C@H]2CCO[C@@H]2c2ccccc2)cc1Cl 1857530621 YVNQQIVCNGBCJS-DLBZAZTESA-N 331.799 3.658 0 50 EHAA Cc1c(C(=O)N2C[C@@H]3CCCCC[C@H]32)cnn1-c1ccc(F)cc1F 2325747319 JPQNXOMRWUCLBS-SUMWQHHRSA-N 345.393 3.864 0 50 EHAA Cc1cccc([C@@H](NC(=O)c2scc(C)c2Cl)C(=O)O)c1C 2325805551 QOKZKRQBHVIQMT-CYBMUJFWSA-N 337.828 3.882 0 50 EHAA Cc1cn(-c2ccccc2Cl)[nH]c1=NCc1cccc2cncn12 2325855113 ILLVVRTYTXCACM-UHFFFAOYSA-N 337.814 3.516 0 50 EHAA CC1(C)[C@H]2CC=C(CCOC(=O)c3ccc(=O)n4c3CCCC4)[C@@H]1C2 2325865710 NHNASNDEPUVXPE-RDJZCZTQSA-N 341.451 3.724 0 50 EHAA O=C1OC(c2ccc(F)cc2)=N/C1=C\c1cccc(Br)c1 274816 XGOYYFLHNACMAA-ZROIWOOFSA-N 346.155 3.933 0 50 EHAA COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C 470559 CZHJHRNRUKJPPL-UHFFFAOYSA-N 327.405 3.958 0 50 EHAA COc1cc(/C=C/C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC 859868 LHKZMIUVYJCQOU-VQHVLOKHSA-N 341.407 3.981 0 50 EHAA Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3Cl)CC2=O)c1 1072443 PRFVDDURLRUWPB-CYBMUJFWSA-N 328.799 3.640 0 50 EHAA CO[C@@](F)(C(=O)Nc1nc(-c2ccc(C)cc2)cs1)C(F)(F)F 2191895 DDENZXFCMXBNCW-ZDUSSCGKSA-N 348.321 3.932 0 50 EHAA COc1ccc(Cl)cc1C(=O)Oc1ccc2ccc(=O)oc2c1 4842717 FOYMTGCDGZWNSI-UHFFFAOYSA-N 330.723 3.674 0 50 EHAA COc1ccccc1-c1cnn2c(NCc3ccccn3)cc(C)nc12 5350274 ZUJOHTBPUIAKMQ-UHFFFAOYSA-N 345.406 3.720 0 50 EHAA O=C(c1cccs1)N1CCC[C@](CO)(CCc2ccccc2)C1 11814503 MBVOVTXWXVUSDI-IBGZPJMESA-N 329.465 3.596 0 50 EHAA COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc(C)c1C 17068585 YTLBDARVWFKBBO-LLVKDONJSA-N 333.409 3.558 0 50 EHAA COc1ccc(CCNc2ccc(C(F)(F)F)cn2)cc1OC 22077521 YSYFRNHZSKWBAV-UHFFFAOYSA-N 326.318 3.772 0 50 EHAA COCc1cc(C)nc2sc3c(c12)N[C@@H](c1ccccc1)NC3=O 51190323 QEJBQXGPNACNIS-MRXNPFEDSA-N 339.420 3.605 0 50 EHAA CCc1cc2c(N3CCN(Cc4ccccc4)CC3)ncnc2s1 55124299 OSVPUNIFECUWFC-UHFFFAOYSA-N 338.480 3.576 0 50 EHAA CCc1nccn1CC(=O)N1CCC[C@@H](CCc2ccccc2C)C1 71738876 YBANGOFWVJRZQZ-SFHVURJKSA-N 339.483 3.625 0 50 EHAA COc1ccc2cc([C@H]3CN(c4ccc(C)nn4)CCO3)ccc2c1 71761554 SNBKEHLIHFMKEA-LJQANCHMSA-N 335.407 3.525 0 50 EHAA CC(C)COC(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 71762166 MMJMBKLDNJRJEA-UHFFFAOYSA-N 336.338 3.771 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N[C@H](C)Cc3cccnc3)c2c1 77320445 XWSHNEWFEZOZNL-CQSZACIVSA-N 333.435 3.862 0 50 EHAA CC(C)n1cncc1CN1CCC[C@H](c2cccc(C(=O)O)c2)C1 95363479 XEIPHPULZWUCIB-KRWDZBQOSA-N 327.428 3.542 0 50 EHAA COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2ncccn2)cc1 114406125 CGVSCHGJSWPWIU-ZWKOTPCHSA-N 345.402 3.894 0 50 EHAA C[C@H](NC(=O)Nc1ccc2nc(C3CC3)oc2c1)C1CCOCC1 119479367 CGVAOOSDBHLFEY-NSHDSACASA-N 329.400 3.642 0 50 EHAA Cc1ccc(N2C[C@H](c3noc(-c4ccsc4)n3)CC2=O)cc1 169755257 JBPUVLKCMQHYSO-CYBMUJFWSA-N 325.393 3.627 0 50 EHAA CCC1(CC)CCN(C(=O)CCCNC(=O)c2cccs2)CC1 170600926 SNATVTDDTIFGGK-UHFFFAOYSA-N 336.501 3.687 0 50 EHAA CN(CCN(C)c1ncnc2c1oc1ccccc12)c1ccccc1 170623120 WSTAKPBBGGQHMW-UHFFFAOYSA-N 332.407 3.949 0 50 EHAA CC[C@@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1C)c1cccs1 175945979 TXRAQFFTGJQPJP-HUUCEWRRSA-N 332.473 3.578 0 50 EHAA Cn1cc(C(=O)N2CCCC3(CC3)C2)c(-c2ccccc2Cl)n1 184118013 ZGTLCCXKNRODTF-UHFFFAOYSA-N 329.831 3.757 0 50 EHAA CCC(CC)n1ncc(C(=O)N[C@H]2CCOc3c(F)cccc32)c1C 188962400 CJYMJCVIUHDUGH-KRWDZBQOSA-N 345.418 3.945 0 50 EHAA CN(CCc1nccs1)Cc1ccc(Sc2ccccn2)o1 225639171 OCENEXGSCOEOTH-UHFFFAOYSA-N 331.466 3.957 0 50 EHAA C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3ccc(N4CCCC4=O)cc3)[C@@H]12 229642278 LADIWRHQALZGGG-QINHECLXSA-N 340.467 3.854 0 50 EHAA CC[C@H](Sc1ccccc1)C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C 253417794 MAZIMXRLHJJTJY-JZXOWHBKSA-N 332.513 3.643 0 50 EHAA CC(C)[C@H]1OCC[C@@H]1C(=O)N(Cc1ccsc1)c1cccnc1 253429013 RUCNXKRHMCJIAX-DLBZAZTESA-N 330.453 3.737 0 50 EHAA Cc1cnccc1CC(=O)N[C@H](C)c1ccc(Br)cc1 278025183 UCECOGBARXJOBU-GFCCVEGCSA-N 333.229 3.572 0 50 EHAA C=CC(=O)N(CC)CC(=O)N1CCC[C@H]1c1cccc2ccccc12 900352752 KEJBAYABQYWOCI-IBGZPJMESA-N 336.435 3.538 0 50 EHAA 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EHAA CCn1cc(CN2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c(C)n1 12430716 DUILLNOYQXWXND-CQSZACIVSA-N 347.409 3.585 0 50 EHAA CCOC(=O)Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 15837924 NPZDKNPAMWBCTD-MRXNPFEDSA-N 342.395 3.754 0 50 EHAA Cc1nn(C)cc1-c1ccnc(N2CCC[C@@H](c3ccccc3)CC2)n1 19720851 ILSAWWBHCGGJGV-GOSISDBHSA-N 347.466 3.960 0 50 EHAA Cc1cccc(-c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)c1 19759979 VMSSUWCGOQVRHH-UHFFFAOYSA-N 345.446 3.598 0 50 EHAA COc1ccc(CCN[C@H](C)CCc2ccc(O)cc2)cc1OC 23283016 QHJPNAYLIFGVDK-OAHLLOKOSA-N 329.440 3.563 0 50 EHAA CCc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1 33088844 MIDQZVNRWMTOOJ-ZDUSSCGKSA-N 332.403 3.933 0 50 EHAA COCCN(Cc1ccc(C)cc1)Cc1ccc(-n2cccn2)cc1 55053798 KQQUBJWGEFTVKW-UHFFFAOYSA-N 335.451 3.829 0 50 EHAA Cc1nc2cc(CC(=O)Nc3c(C)cnn3[C@@H](C)C3CC3)ccc2[nH]1 55370738 UNAUKAPAQSCDKZ-LBPRGKRZSA-N 337.427 3.528 0 50 EHAA CCc1cc([C@H]2CCCN2C(=O)Nc2cc(OC)ccc2OC)on1 64985046 QQVYHGGVGRWZDZ-OAHLLOKOSA-N 345.399 3.623 0 50 EHAA Cc1cc(NCc2ccccc2Cn2cccn2)n2nc(C)c(C)c2n1 72411330 WXSFVLKLRIZGMJ-UHFFFAOYSA-N 346.438 3.511 0 50 EHAA CC(C)c1nccc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)n1 72477927 FLOMFFMBHIWSHD-GOSISDBHSA-N 337.467 3.624 0 50 EHAA O=C(O)c1ccc([C@H]2CCCN(C(=O)NCc3cccs3)C2)cc1 95376202 NGSCENYEJRXABB-HNNXBMFYSA-N 344.436 3.536 0 50 EHAA O=C(Nc1ccc(-c2cn[nH]c2)cc1)N[C@H]1COC2(CCCCC2)C1 96136514 GIUYPUUBBSBFGJ-QGZVFWFLSA-N 340.427 3.690 0 50 EHAA CN(C)[C@H]1CCN(C(=O)Nc2ccccc2Oc2ccc(F)cc2)C1 97784785 YYOFPYAAMBPXOO-HNNXBMFYSA-N 343.402 3.786 0 50 EHAA CC[C@]1(C)Oc2ccc(NC(=O)[C@@H](C)c3c(C)n[nH]c3C)cc2O1 135271100 IWBSGQIXZKBLOQ-XTZNXHDOSA-N 329.400 3.666 0 50 EHAA CN(CCc1ccc(Cl)cc1)C(=O)c1cccc(C2OCCO2)c1 157792197 CLFFRNQIQRVICT-UHFFFAOYSA-N 345.826 3.700 0 50 EHAA CCNC(=O)c1cccc(CN[C@H](C)[C@@H](C)c2ccc(OC)cc2)c1 170669713 FLINBAKRUVPXLE-HZPDHXFCSA-N 340.467 3.727 0 50 EHAA CC(C)(C(=O)Nc1cccc2c1OCC[C@@H]2O)c1ccccc1F 185327705 JJTARXMLPGVOPZ-INIZCTEOSA-N 329.371 3.558 0 50 EHAA CCO[C@H](CCNc1ccc2nnc(-c3ccsc3)n2n1)C(C)C 186119578 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COc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCCC3)cc1 3148790 FOXADHJEWCJTGJ-UHFFFAOYSA-N 331.393 3.586 0 50 EHAA COc1ccc(-c2noc(CN3[C@H](C)CCC[C@H]3C)n2)cc1OC 4487212 IVQNNXPHXLZQCV-CHWSQXEVSA-N 331.416 3.517 0 50 EHAA COc1c(Cl)cc(C(=O)Nc2cccc(C(=O)O)c2)cc1Cl 4833154 JOOUAWNLHLCOQL-UHFFFAOYSA-N 340.162 3.953 0 50 EHAA Cc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1Cl 6811184 PHCCXWKHVRXJQR-UHFFFAOYSA-N 327.771 3.628 0 50 EHAA CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1 7720355 YIPPSEQDSIDIKW-UHFFFAOYSA-N 327.771 3.662 0 50 EHAA CC(=O)c1sc2[nH]c(SCc3ccccc3)nc(=O)c2c1C 9789423 LHPQVCPGBDHSSP-UHFFFAOYSA-N 330.434 3.788 0 50 EHAA CN1CCC(NC(=O)c2sc3cc(F)ccc3c2Cl)CC1 16603980 BNPBSXNVDGWKQD-UHFFFAOYSA-N 326.824 3.518 0 50 EHAA CCOc1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 19721122 SHQHFJSTDDYLKB-FOWTUZBSSA-N 346.452 3.565 0 50 EHAA Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(F)cc2)c1C 20279701 UFFKZYXZQFYCRM-SFHVURJKSA-N 340.398 3.686 0 50 EHAA COc1cccc(CNC(=O)N2CCC[C@H]2c2cccc(F)c2)c1 36620456 PUZJDZWRJOSQHQ-SFHVURJKSA-N 328.387 3.881 0 50 EHAA COCCCCCC(=O)N1CCC[C@@H](COc2ccc(C)cc2)C1 55414277 BSNASVQAKHKMOJ-GOSISDBHSA-N 333.472 3.819 0 50 EHAA COc1ccc(F)cc1CN1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 67789644 DIQDSIDFAIXPSN-GHTZIAJQSA-N 343.442 3.650 0 50 EHAA O=C(NCc1cccnc1)N[C@@H](c1ccccc1)c1cccc(F)c1 86992873 CIMNLZQFWUXXAG-IBGZPJMESA-N 335.382 3.810 0 50 EHAA O=c1cc(CN2CCCC[C@@H]2c2ccccn2)[nH]c2ccc(F)cc12 91593136 VEDOIUIJCIBQMI-LJQANCHMSA-N 337.398 3.789 0 50 EHAA CCCCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(C)ccc2O)C1 95388849 QTYDCFBFEVTKFI-MRXNPFEDSA-N 341.455 3.717 0 50 EHAA COc1ccc([C@@H](Nc2nc3c(s2)c(C)nn3C)C2CC2)cc1 96139586 ROSXEOUVDFQKNW-AWEZNQCLSA-N 328.441 3.910 0 50 EHAA CC[C@H](C)Oc1ccc(CNC(=O)c2ccc(C(C)C)[nH]c2=O)cc1 97732998 YODKPUQLJOEGCF-AWEZNQCLSA-N 342.439 3.606 0 50 EHAA CCCc1c(C)[nH]c2nc(SCc3ccc(Cl)cc3)nn2c1=O 100133782 VZIJPOKYFYYAFB-UHFFFAOYSA-N 348.859 3.624 0 50 EHAA CO[C@@H](C)c1noc(CN2CCc3c(Cl)cc(Cl)cc3C2)n1 128947196 WWRCJTXUZFGKPR-VIFPVBQESA-N 342.226 3.642 0 50 EHAA O=C(NCCc1nnc(-c2ccccc2)o1)c1ccc(F)c(Cl)c1 129568048 JBLWNFFRBGGQRJ-UHFFFAOYSA-N 345.761 3.502 0 50 EHAA CCC(=O)[C@H]1CCCCN1C(=O)c1csc(-c2ccccc2)n1 136009419 AXKIOVLXBDNFQQ-OAHLLOKOSA-N 328.437 3.784 0 50 EHAA CCCn1c(C)nnc1CN1CCSC[C@H]1c1ccc(C)cc1 158673770 SUYHIMQFEHASJQ-KRWDZBQOSA-N 330.501 3.595 0 50 EHAA CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1c[nH]c2ncccc12 176406935 CRZBYVSQAYRRMN-UHFFFAOYSA-N 347.340 3.783 0 50 EHAA C/C(=C\c1cccc(Cl)c1)C(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 179292093 QRFAIBOPJUZVPF-SPRNKHAWSA-N 332.875 3.686 0 50 EHAA Cc1ccc(OC2CCN(C(=O)c3csnc3C)CC2)cc1C 179679854 MUVYADXXBQCCKW-UHFFFAOYSA-N 330.453 3.752 0 50 EHAA O[C@H]1CCOc2c(NCc3ccc(OC(F)F)c(F)c3)cccc21 184078740 AEZFHMVUJMCHPT-AWEZNQCLSA-N 339.313 3.855 0 50 EHAA CC(C)c1nnc2ccc(NC(=O)[C@H](C)Cc3ccccc3F)cn12 189255216 FKTIOPOHAVBBGX-CYBMUJFWSA-N 340.402 3.809 0 50 EHAA CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CCc3cc(F)ccc32)n1 194702181 OBCLAQMJKXIAAI-AWEZNQCLSA-N 333.794 3.810 0 50 EHAA Cc1c(C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)[nH]c2c1C(=O)CCC2 230196858 YKSJJFXKNSUSRR-DUVNUKRYSA-N 328.456 3.883 0 50 EHAA Cc1cc(CC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)on1 244626550 FNQJQRZKOGBTMS-CYBMUJFWSA-N 341.436 3.541 0 50 EHAA C[S@](=O)Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 248897886 VTBRGBSBLQHCQP-NPGVVQFXSA-N 347.867 3.961 0 50 EHAA Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)NCC(F)(F)F 252494969 OJIIPKNDBYVNTB-UHFFFAOYSA-N 340.305 3.606 0 50 EHAA O=C(Nc1ccccc1-c1ccncc1)N1CCC(c2c[nH]cn2)CC1 253433321 VPQNAFZWHYGXSG-UHFFFAOYSA-N 347.422 3.883 0 50 EHAA O=C(O)CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 261841412 ITKGYNWGAMAILF-AGIUHOORSA-N 335.366 3.601 0 50 EHAA C[C@@H](NC(=O)C1SCCS1)c1nc(-c2ccccc2)cs1 270547073 YXJXGSYOQFUTFW-SNVBAGLBSA-N 336.507 3.793 0 50 EHAA CCSc1ccc(NC(=O)N[C@H](C)Cn2nc(C)cc2C)cc1 299774601 HEYWVTMRTOVTGJ-CYBMUJFWSA-N 332.473 3.822 0 50 EHAA O=C(O)CC1(NC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)CCCCC1 426490295 YYFQXAROGKMNMF-OAHLLOKOSA-N 348.418 3.502 0 50 EHAA CSc1ncc(C(=O)O)c(-c2ccc([C@@H](C)N3CCCC3)cc2)n1 534636226 ZFFPRNJVQQLPDV-GFCCVEGCSA-N 343.452 3.721 0 50 EHAA Cc1cccc(C2(C(=O)N[C@@H](C)c3n[nH]c(C(C)C)n3)CCC2)c1 677935232 YQCWVBQOMMAOTM-AWEZNQCLSA-N 326.444 3.536 0 50 EHAA Cc1ncsc1C(=O)N[C@H](c1ccccc1)[C@@H](O)c1ccccc1 816792547 MPCHOJSUHBBXLQ-SJORKVTESA-N 338.432 3.656 0 50 EHAA CCn1cccc(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1=O 841731079 XMXXJMMCCMPAAQ-HNNXBMFYSA-N 331.803 3.501 0 50 EHAA Cc1nc(CC2CCN(C[C@H](OC(C)C)c3ccccc3)CC2)no1 932247666 UIIKYWGGCDWCIX-IBGZPJMESA-N 343.471 3.799 0 50 EHAA CCC[C@H](NC(=O)c1ccccc1N1CCOCC1)c1cccs1 952984962 PEPDMEPQVOXFKY-INIZCTEOSA-N 344.480 3.856 0 50 EHAA COc1ccc([C@@]2(C(=O)Nc3ccc(O)c(OC)c3)CC2(C)C)cc1 952990933 YDMZXBOAUMUIEH-HXUWFJFHSA-N 341.407 3.716 0 50 EHAA Cc1ccc(N2CCC(N[C@H](CC(=O)O)c3ccccc3)CC2)cc1 1506397620 USXHVXJANWZIKV-HXUWFJFHSA-N 338.451 3.769 0 50 EHAA Cc1ccc(NC2(C(=O)NCc3cnc(C)cn3)CCCCC2)cc1 1506409962 BIZPSBGIDBTZDW-UHFFFAOYSA-N 338.455 3.525 0 50 EHAA CN1CCO[C@@H](Cn2ccnc2-c2ccccc2-c2ccccc2)C1 1857667569 WWNRSEWOPPPWEA-GOSISDBHSA-N 333.435 3.548 0 50 EHAA CCC[C@H](CC)c1nc(-c2nc[nH]n2)nn1C[C@H]1CCCC1(F)F 1875336375 YKJZYEMTOUEYGY-NWDGAFQWSA-N 338.406 3.792 0 50 EHAA CCN(CC(=O)NCc1cc(Cl)c(Cl)cc1Cl)C1CC1 2325722654 RZRHHBOFDPUPAE-UHFFFAOYSA-N 335.662 3.747 0 50 EHAA COc1c(C(=O)N2CCc3ncccc32)sc(Cl)c1Cl 2325828102 YRRHNNSRLKZEJA-UHFFFAOYSA-N 329.208 3.661 0 50 EHAA Cc1cc(C(=O)OCc2ccc(Oc3cccnc3)cc2)sn1 2325855301 RLIRONMQMYUOID-UHFFFAOYSA-N 326.377 3.996 0 50 EHAA C[C@@H]1CC[C@@H]2CN=C(N[C@H](C)c3ccc(Br)cc3)N2C1 2325863211 AFHNGAKCZKEJJE-LALPHHSUSA-N 336.277 3.570 0 50 EHAA Cc1c([C@@H](C)NC(=O)Nc2ccc3c(c2)CNC3=O)oc2ccccc12 2325899203 TXOJTUVAGAJOOW-GFCCVEGCSA-N 349.390 3.867 0 50 EHAA Cc1ccc(-n2nc3ccc(NC(=O)C(C)C)cc3n2)cc1Cl 168894 AGXJCFNVECYBJD-UHFFFAOYSA-N 328.803 3.977 0 50 EHAA COc1ccc2c(c1)C1=C(CC2)[C@H](c2ccc(F)cc2)NC(=S)N1 195213 MVYKBLBLUMXGCI-KRWDZBQOSA-N 340.423 3.711 0 50 EHAA CCOC(=O)C(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)OCC 2343559 CJXWTZDDIHIBSY-UHFFFAOYSA-N 332.327 3.595 0 50 EHAA CCCCSc1nnc2c(n1)O[C@@H](C)N(C(C)=O)c1ccccc1-2 2488877 XOGPJRNZARWTDW-LBPRGKRZSA-N 344.440 3.522 0 50 EHAA O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(CN2CCCCC2)cc1 2809611 ARPJWAOSTFGDCC-MSOLQXFVSA-N 344.455 3.502 0 50 EHAA COc1ccc(CCNC(=O)/C=C/c2cccc(OC)c2Cl)cc1 4542772 RZCCCMRPUUXSME-DHZHZOJOSA-N 345.826 3.729 0 50 EHAA Cc1ccccc1NC(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 4749176 DWLOSJAHUZFZPG-LFPRZYRFSA-N 340.467 3.655 0 50 EHAA Cc1ccc([C@H](CNC(=O)c2ccccc2)N2CCC(C)CC2)o1 15860267 KAAUZUAMRWJEBV-SFHVURJKSA-N 326.440 3.791 0 50 EHAA CCCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1 17070391 ZFVJHSAGAAOBNE-UHFFFAOYSA-N 339.844 3.607 0 50 EHAA O=C(Nc1ccc2c(c1)CCC2)N1CCN(Cc2ccccc2)CC1 20522528 YWXXKORSIHORJX-UHFFFAOYSA-N 335.451 3.525 0 50 EHAA CCCNc1cc(C)nc2cc(-c3ccc(OC)c(OC)c3)nn12 21150344 AKMSMTYJRCMBTP-UHFFFAOYSA-N 326.400 3.544 0 50 EHAA COc1ccc(NC(=O)N2CCC[C@H]2c2c(C)noc2C)c(OC)c1 33270564 VEFYURWUMWAAFG-HNNXBMFYSA-N 345.399 3.678 0 50 EHAA CCCc1ccc2oc(C(=O)N(C)C[C@@H]3CCCN3C)c(C)c2c1 77406671 ASEOTUPLAFLAHL-INIZCTEOSA-N 328.456 3.860 0 50 EHAA CCc1nc(N)sc1C(=O)N1CCCC[C@H]1CCc1cccs1 77470593 ZRGPQWMEHIYEDD-LBPRGKRZSA-N 349.525 3.977 0 50 EHAA CC(C)c1noc([C@@H]2CCCN2Cc2noc(-c3ccccc3)n2)n1 77505466 CBGDMAVUBRGEMX-AWEZNQCLSA-N 339.399 3.580 0 50 EHAA Cc1nc(C(C)C)cc(N2CCC[C@@H](c3nccn3CC3CC3)C2)n1 82096408 BHMMTASVBVGFJA-QGZVFWFLSA-N 339.487 3.899 0 50 EHAA Cc1cc(C)c2[nH]c(C(=O)N(C)CCCc3cnn(C)c3)c(C)c2c1 91289596 CVTCZTRPZJWZBV-UHFFFAOYSA-N 338.455 3.531 0 50 EHAA CCCc1cc(C(=O)N(C)CCCSc2ccc(C)cc2)[nH]n1 91412121 MGJQOANTDCMTJP-UHFFFAOYSA-N 331.485 3.925 0 50 EHAA COc1ccc([C@@H](CC(=O)NCc2nc[nH]c2C)c2ccccc2)cc1 95530368 GENXODXYOXSRAY-IBGZPJMESA-N 349.434 3.565 0 50 EHAA C[C@H](OC1CCCCCC1)C(=O)Nc1nc(-c2cnn(C)c2)cs1 119285521 FCZGXZMLIIUMIL-LBPRGKRZSA-N 348.472 3.610 0 50 EHAA C[C@@H](NCCN1CCCCC1)c1cc(Br)ccc1F 149516467 AXWAWBKEVDBSQZ-GFCCVEGCSA-N 329.257 3.725 0 50 EHAA Cn1cnc(-c2cccc(NC(=O)N(Cc3ccccc3)C3CC3)c2)n1 161706990 BHMCTHZNEWXIFU-UHFFFAOYSA-N 347.422 3.679 0 50 EHAA O=C(N[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1ccnc(C2CC2)n1 170625835 DOJYNTVRDVANKZ-HIFRSBDPSA-N 347.340 3.659 0 50 EHAA CCN(C)C[C@@H]1CCN(C(=O)c2ccccc2Nc2ccccc2)C1 174537411 LWJPQPJVFAYYCJ-KRWDZBQOSA-N 337.467 3.844 0 50 EHAA C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 182202812 LTTXHZIBUTYNSA-AUUYWEPGSA-N 332.407 3.695 0 50 EHAA CC(C)Cn1ccc2cc(NC(=O)N(C)CC3(CO)CC3)ccc21 188023551 BFQRFBNVKWEFML-UHFFFAOYSA-N 329.444 3.534 0 50 EHAA c1ccc(C[C@@H]2CC[C@@H](N[C@@H](c3cccnc3)c3ncc[nH]3)C2)cc1 195126153 SLQKEOXTHUTSDC-SXLOBPIMSA-N 332.451 3.895 0 50 EHAA O=C(c1cccs1)N1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 212043450 KUMFMBZINXTWFK-MSOLQXFVSA-N 337.444 3.892 0 50 EHAA COc1ccccc1-c1ncc(CN(C)Cc2csc(C)n2)cn1 216078488 CMPZJJSSTBTTAJ-UHFFFAOYSA-N 340.452 3.549 0 50 EHAA COc1cc(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)cc(Cl)c1O 225498315 NADJESYHBHPQHO-IAQYHMDHSA-N 346.814 3.673 0 50 EHAA CCN(CC)CCNC(=O)c1ccc(NCc2cc(C)oc2C)cc1 225642184 LDRXXPDPLQHHLT-UHFFFAOYSA-N 343.471 3.580 0 50 EHAA Cc1ccc(OCCN2CCC([C@H](O)c3ccccn3)CC2)c(C)c1 244659870 HKDSARLCFQKTRT-NRFANRHFSA-N 340.467 3.523 0 50 EHAA C[C@H](c1nc(C2CC2)no1)N1CC[C@@H](Oc2ccccc2Cl)C1 246788445 SAOODOZARJFBGS-DGCLKSJQSA-N 333.819 3.815 0 50 EHAA CCCOc1cccc(NC(=O)N(CC)CCCN2CCCC2)c1 252494935 OIMWTMWANRMILU-UHFFFAOYSA-N 333.476 3.815 0 50 EHAA O=C(N[C@H]1CCOc2c(F)cccc21)[C@H]1CCCc2c(O)cccc21 276954593 YKVOJYDXISJCSA-YOEHRIQHSA-N 341.382 3.591 0 50 EHAA CC(C)[C@@H](C)n1nccc1NC(=O)NCc1cccc2[nH]ccc12 299775556 JZMQTADHUXMHLV-CYBMUJFWSA-N 325.416 3.903 0 50 EHAA CCc1ccc2nc(C)cc(C(=O)N(C)[C@H](C)Cc3cnccn3)c2c1 299791222 CZFBGUPIAQCYBN-OAHLLOKOSA-N 348.450 3.599 0 50 EHAA CCn1cnnc1-c1cccc(NC(=O)c2cc3nc(C)ccc3o2)c1 352660245 QYWHMDWMFGUHIJ-UHFFFAOYSA-N 347.378 3.667 0 50 EHAA C[C@H](O)c1cccc(-c2ccc(C(=O)N3CCSCC3)cc2)c1 426618112 KDJKPLFTJSMXOZ-AWEZNQCLSA-N 327.449 3.596 0 50 EHAA Cc1c(N[C@H](C)c2ccc(OC(F)F)cc2)cnn1[C@H]1CCOC1 453363649 WDBJZWVJXOZLQP-RISCZKNCSA-N 337.370 3.927 0 50 EHAA CCN(CC)CC1(NC(=O)N(Cc2ccccc2Cl)C2CC2)CC1 534665451 NLRNRDXMILWTCV-UHFFFAOYSA-N 349.906 3.888 0 50 EHAA C[C@H](NC(=O)N1CCC(OCc2cccnc2)CC1)c1ccccc1 534675399 AJGUKMJQCIUJOK-INIZCTEOSA-N 339.439 3.533 0 50 EHAA Cc1cncc(C(=O)Nc2ccc(OC[C@@H]3CCCCO3)cc2)c1 825249763 FTNXPASZXLDDMN-SFHVURJKSA-N 326.396 3.590 0 50 EHAA Cc1cccc2oc(-c3nc([C@H]4CC(=O)N(CC5CC5)C4)no3)cc12 901969503 WUBZOHDYUFGRLQ-ZDUSSCGKSA-N 337.379 3.517 0 50 EHAA CCCCC(=O)Nc1ccc(NC(=O)C[C@@H]2CCCOC2)cc1C 952976559 KTYWUAVPHRRTRC-HNNXBMFYSA-N 332.444 3.879 0 50 EHAA Cc1ccc(-c2ccccc2CN(C[C@H]2CCC(=O)N2)C(C)C)o1 1506404318 GVUAJJIZDWYBSA-QGZVFWFLSA-N 326.440 3.744 0 50 EHAA Cc1cccc2c1CCN(Cc1nc(C3CC3)cs1)[C@@H]2C(=O)O 1777459306 JBXYRNUZLJSLCN-KRWDZBQOSA-N 328.437 3.513 0 50 EHAA CN1C[C@]2(CCCN(c3nc4cc(C(C)(C)C)ccc4o3)C2)OC1=O 1857674952 FHLHMSMEBCQPRF-IBGZPJMESA-N 343.427 3.546 0 50 EHAA CCCO[C@@H]1CC[C@H](c2nc(C)nn2-c2cc(C)cc(C)c2)C[C@H]1N 1857725129 JVURZYYHVJOOPE-QXAKKESOSA-N 342.487 3.583 0 50 EHAA O=C1N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2[C@@]12CCNC2 1875247430 LRLHHYYKZKPIIL-SFHVURJKSA-N 347.245 3.771 0 50 EHAA Cc1cc(C)c2c(c1)[C@@H](n1cc(C[C@@H](N)c3ccccc3)nn1)CCO2 1875279188 AYWNQIPCSISVSU-UXHICEINSA-N 348.450 3.509 0 50 EHAA C[C@H]1[C@@H](NC(=O)c2cccc(Cl)c2)CCCN1Cc1cccnc1 1875302976 PSOIFEKKQMCOCM-KSSFIOAISA-N 343.858 3.518 0 50 EHAA CC1(C)C[C@@]1(CNC1CCC2(CC1)C[C@@H]2C(=O)O)c1ccccc1 1875404403 HTFFDDVUHCNYEC-BWGXQHLSSA-N 327.468 3.977 0 50 EHAA CC(C)[C@H](CNC(=O)C(C)(C)C1CCC1)NC(=O)[C@H]1CCCC12CC2 2325794832 SPFOQMGVXDLYFL-SJORKVTESA-N 348.531 3.650 0 50 EHAA Cc1cc(C)c(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(=O)o1 2325797266 XYSSBHSGIGJQIN-CTYIDZIISA-N 331.799 3.586 0 50 EHAA CC(C)(O)[C@@H](NC(=O)c1cc2ccncc2cc1F)c1ccccc1 2325825085 CZSIKMRVYKACAU-SFHVURJKSA-N 338.382 3.616 0 50 EHAA COc1ccc(-c2ccnc(N[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)n2)cc1 2325840026 MFDAJFGWCYVHIA-JQHSSLGASA-N 339.439 3.768 0 50 EHAA Cc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccncc2)n1 2332237416 MTAXDVKKEKHYNB-UHFFFAOYSA-N 349.438 3.580 0 50 EHAA CCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl 117536 GTGVGGGPMOPTFR-UHFFFAOYSA-N 341.842 3.807 0 50 EHAA CCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)OC2 181773 SJGVWGKVSUCWSZ-UHFFFAOYSA-N 325.430 3.515 0 50 EHAA Cc1ccccc1NC(=S)N1CCN(c2ccccc2C)CC1 271938 BAWVVUMMNCSUAP-UHFFFAOYSA-N 325.481 3.822 0 50 EHAA CCOc1ccccc1[C@H]1CC(=O)Oc2c1c(=O)oc1ccccc21 1427235 IJQORKGNBOMBLV-CQSZACIVSA-N 336.343 3.633 0 50 EHAA O=C(CCS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 2522074 GXVRNXSUBVPDEA-UHFFFAOYSA-N 326.776 3.526 0 50 EHAA CC(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)OCCO2 4019241 OHDSYTKFWCSBLB-UHFFFAOYSA-N 331.755 3.566 0 50 EHAA O=C(Cc1ccc(Cl)cc1)NCC1(c2ccccc2)CCOCC1 4867509 AULFDOGLJBAAKL-UHFFFAOYSA-N 343.854 3.747 0 50 EHAA CCCOc1ccc(C(=O)Nc2cccc(OCCOC)c2)cc1 10155257 BJWIDWSZPLQOLV-UHFFFAOYSA-N 329.396 3.753 0 50 EHAA C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)NCc1ccco1 12000747 WAXVRFRHCGGTCH-CYBMUJFWSA-N 339.420 3.534 0 50 EHAA CSCCC(=O)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 12055977 BOYNGYQRTLSOCS-UHFFFAOYSA-N 336.844 3.633 0 50 EHAA Cc1cc(CN2CCC[C@@](CO)(CCOc3ccccc3)C2)oc1C 12197193 PGPBBFMUIHRBAE-OAQYLSRUSA-N 343.467 3.940 0 50 EHAA OCC[C@H]1CN(Cc2ccc3ccccc3c2)CCN1C1CCCC1 23359205 IEAFLVFADOKGFP-QFIPXVFZSA-N 338.495 3.651 0 50 EHAA CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)C(C)(C)NC(=O)c2cccs2)C1 55036467 HWOUDDJBAQYECP-BFUOFWGJSA-N 348.512 3.684 0 50 EHAA Cc1cc(C)n(Cc2ccc(C(=O)NCCc3cccs3)cc2)n1 61132329 KTFQQOQNGGDDCY-UHFFFAOYSA-N 339.464 3.582 0 50 EHAA CC(C)c1nnc2sc(-c3ccc(-n4cccn4)cc3Cl)nn12 65356341 YELVRWHXFWXUDV-UHFFFAOYSA-N 344.831 3.815 0 50 EHAA Cc1cc(C(=O)NCc2snnc2C(C)C)c2ccc(F)cc2n1 65509285 FXULIQOBRZTVBZ-UHFFFAOYSA-N 344.415 3.587 0 50 EHAA CCCc1nccn1Cc1nc(-c2cc(OC)ccc2OC)oc1C 67541297 UDJJSLLDAOPOSH-UHFFFAOYSA-N 341.411 3.865 0 50 EHAA CCOc1ccc(-c2ccnc(-c3csc(C)n3)n2)cc1C(=O)O 71763871 OUCBDOAPHMBZGV-UHFFFAOYSA-N 341.392 3.672 0 50 EHAA COCc1cc(CN(C)Cc2nc(-c3ccc(C)s3)oc2C)[nH]n1 71770815 MGZPFTQXBXDUGK-UHFFFAOYSA-N 346.456 3.521 0 50 EHAA Cc1cccc(-c2nccn2[C@H](CCn2cncn2)c2ccccc2)n1 71777083 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COc1ccc(Cc2nc(-c3cc(F)c[nH]3)n(C(C)C)n2)cc1F 1875335953 NGANQDCSRLYJNS-UHFFFAOYSA-N 332.354 3.732 0 50 EHAA O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccn1Cc1cccnc1 2325702007 KDRZLDPWHYONCN-UHFFFAOYSA-N 343.390 3.574 0 50 EHAA COc1ccccc1[C@H]1C[C@H](NC(=O)C[C@@H]2CCOC(C)(C)C2)C1 2325786901 XDDWVECYDVYWEZ-JYJNAYRXSA-N 331.456 3.653 0 50 EHAA O=C(O[C@H]1CCC[C@H]1Oc1cccc(F)c1)c1cc2cccn2cn1 2325824318 YBTLGCMIDPYHAL-MSOLQXFVSA-N 340.354 3.630 0 50 EHAA CC[C@]1(O)CCC[C@H]2CN(C3CCN(c4ccccc4C)CC3)C[C@H]21 2356136962 CWBZXRSDVMTLLO-DWLFOUALSA-N 342.527 3.837 0 50 EHAA CC1=CC2(CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)OCC1 2356142529 WQGFVMMSNPURCM-UHFFFAOYSA-N 337.822 3.749 0 50 EHAA OC[C@H]1C[C@@H]2CC[C@H](C1)N2c1ccnc2c(C(F)(F)F)cccc12 2356163918 XARHYYGIQZJTAY-XYYAHUGASA-N 336.357 3.993 0 50 EHAA CCC[C@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 43465 STJLVHWMYQXCPB-SWLSCSKDSA-N 342.226 3.653 0 50 EHAA biogenic,in-vitro O=C(c1ccccc1-c1ccccc1)N1CCN(c2ccccn2)CC1 85809 RBAMRSBFSMPZBB-UHFFFAOYSA-N 343.430 3.711 0 50 EHAA CCc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3C)C2=O)cc1 121800 LJPRDCDEGPLKQU-UHFFFAOYSA-N 340.810 3.993 0 50 EHAA Cc1ccc(C(=O)COC(=O)c2ccccc2Br)cc1 288965 XHUZPOPKIBKOHG-UHFFFAOYSA-N 333.181 3.797 0 50 EHAA O=C(Cc1ccc(Br)cc1)NCc1ccccc1Cl 611731 KNFQZBUCMBGRRM-UHFFFAOYSA-N 338.632 3.961 0 50 EHAA CC[C@@H](C)c1cc(S(=O)(=O)NCc2ccccc2)ccc1OC 1067718 WXIDTVKPRHLQHZ-CQSZACIVSA-N 333.453 3.687 0 50 EHAA Cc1cc(C)n(-c2c3c(nc4c(-c5ccccc5)c(C)nn24)CCC3)n1 2212707 BOUKLWNEJHVJAV-UHFFFAOYSA-N 343.434 3.996 0 50 EHAA O=C(CCC(=O)OCC(F)(F)C(F)F)Nc1ccc(Cl)cc1 2490522 SEKKCAYGWWXZLS-UHFFFAOYSA-N 341.688 3.502 0 50 EHAA COc1cc(NC(=O)c2c(F)cccc2F)ccc1OC(F)F 2793911 QAFMSUSTPFKVAD-UHFFFAOYSA-N 329.249 3.827 0 50 EHAA Oc1cc(-c2cccnc2)cc2c1OCCN(Cc1ccsc1)C2 12246982 FHTPPECPGLOTCR-UHFFFAOYSA-N 338.432 3.910 0 50 EHAA CC(C)CC(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 12382069 QCOHIANFOCZKMN-UHFFFAOYSA-N 329.271 3.684 0 50 EHAA CCCO[C@H]1CCCN(C(=O)c2ccc3oc(C(C)C)nc3c2)C1 12710980 YBCIGHFETQPFOO-HNNXBMFYSA-N 330.428 3.982 0 50 EHAA Fc1cccc(N[C@H]2CCCN(Cc3ccc4nsnc4c3)C2)c1 15067008 GSIQZZLFSWRGJU-INIZCTEOSA-N 342.443 3.907 0 50 EHAA O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(Br)cc1Cl 17988006 DSYRGAJLKKKQSJ-UWVGGRQHSA-N 340.604 3.558 0 50 EHAA CC(C)(C)c1nc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)no1 52275591 PVIWPCJNZCPDLC-CQSZACIVSA-N 335.835 3.594 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)CCCN2CCCC2)cc1Cl 55358643 RQPFELLSRVAUNP-UHFFFAOYSA-N 337.851 3.503 0 50 EHAA COCCN(Cc1ccsc1)Cc1c[nH]nc1-c1ccc(F)cc1 55359604 ZOAFZGJWQQPVRI-UHFFFAOYSA-N 345.443 3.926 0 50 EHAA Brc1ccc(CN2CCN(c3ccccc3)CC2)s1 55543901 UBSLKJFWAVCWDX-UHFFFAOYSA-N 337.286 3.833 0 50 EHAA Clc1ccc([C@H]2CN(c3ncnc4[nH]ccc34)CCO2)cc1Cl 66815607 FQKVUKSNMDLXAF-CQSZACIVSA-N 349.221 3.843 0 50 EHAA OCCCCN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 67673273 CSIKCLYALVPOIE-UHFFFAOYSA-N 347.842 3.680 0 50 EHAA N[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 72168228 FKSSVTHJZQZAAZ-QGZVFWFLSA-N 345.446 3.855 0 50 EHAA CC(C)Cc1cc(C(=O)N2CCC[C@@](C)(c3ccccc3)C2)n(C)n1 91781994 BOJCZXZJSJGKAS-OAQYLSRUSA-N 339.483 3.813 0 50 EHAA Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)N1CCSCC1 95527970 PGMKVCZPDGKULZ-UHFFFAOYSA-N 348.497 3.758 0 50 EHAA Clc1cccc2ccc(CN3CCC(Cn4ccnc4)CC3)nc12 97717383 SZOFDIXYICIJEN-UHFFFAOYSA-N 340.858 3.997 0 50 EHAA CCn1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)cn1 114225545 VJKTXTKZCCWTCH-UHFFFAOYSA-N 349.419 3.827 0 50 EHAA O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cccc(F)c1 114646968 MVRFEABKJNGEGA-UHFFFAOYSA-N 345.761 3.502 0 50 EHAA COc1cc(NCCNc2cc(Cl)nc(C3CC3)n2)cc(OC)c1 170591307 GGUGISZIXHXMOY-UHFFFAOYSA-N 348.834 3.549 0 50 EHAA C/C(=C\C(=O)Nc1cc(C)nn1-c1ccccn1)c1cccc(F)c1 171869313 JGAMEKNFFVNAII-JLHYYAGUSA-N 336.370 3.757 0 50 EHAA Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)co1 188887049 UWWGPHQJGBINJD-GJZGRUSLSA-N 339.313 3.555 0 50 EHAA C[C@@H](N[C@H](C)c1nnnn1C)c1ccc(Oc2ccccc2)c(F)c1 189784352 OXRLJFKKIQXDFX-CHWSQXEVSA-N 341.390 3.553 0 50 EHAA Cc1nnc(CN(Cc2cccc(Br)c2)CC2CC2)o1 191464200 ZFBNVHMMNCJRDW-UHFFFAOYSA-N 336.233 3.553 0 50 EHAA O=C(NCCCCc1ccc(Cl)s1)c1ncncc1Cl 225463930 CWLNKCBCQUEMQW-UHFFFAOYSA-N 330.240 3.598 0 50 EHAA Cc1nccn1[C@@H]1CCCN(C(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)C1 247933299 CYYPRBGKNDTCBJ-QGPMSJSTSA-N 341.455 3.704 0 50 EHAA C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2nccc3ccccc23)C1 248059710 CUYYIPTWALRXFD-JZXOWHBKSA-N 337.467 3.712 0 50 EHAA CC(C)c1ncncc1C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C 253431279 UYLAWAHNHVJSTE-ZFWWWQNUSA-N 327.403 3.757 0 50 EHAA Cc1nc(CNC(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)no1 333074683 AYEJJDXJSILXIK-QGZVFWFLSA-N 340.427 3.595 0 50 EHAA O=C(N[C@H]1CCCOc2ccccc21)c1cccc(Cn2ccnc2)c1 372551376 TYTFBHRWSDZIRY-IBGZPJMESA-N 347.418 3.575 0 50 EHAA CC(C)c1ccc2c(c1)[C@H](N1C(=O)N[C@H](Cc3ccccc3)C1=O)CC2 432224706 DOCJWERCBVHVQC-WOJBJXKFSA-N 348.446 3.960 0 50 EHAA CCCC[C@H](NC(=O)N1CCC(N2CCCC2)CC1)c1cccnc1 534651536 YWCMGIUUCOIASC-IBGZPJMESA-N 344.503 3.583 0 50 EHAA CC[C@H](C)C(=O)Nc1ccccc1C(=O)N(C)Cc1csc(C)n1 822559913 BMSNYNOOEVJIGG-LBPRGKRZSA-N 345.468 3.708 0 50 EHAA Cc1nc(C)c(C(=O)Nc2ccccc2CN2CCCCC2)s1 825272110 AXTGFHLPYPNCQQ-UHFFFAOYSA-N 329.469 3.998 0 50 EHAA Cc1ccc(NC(=O)CCNC(=O)c2cccc3ncccc23)c(C)c1 828055734 REZVTSTXPASPGD-UHFFFAOYSA-N 347.418 3.610 0 50 EHAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2ccccc2OC2CC2)C1 888102991 YOPALWKMZIMYKS-MSOLQXFVSA-N 341.455 3.530 0 50 EHAA COc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)c3occc23)nc1 890244988 QUOOKBJOIFBZNH-KRWDZBQOSA-N 340.354 3.953 0 50 EHAA O=C(NCCc1c[nH]c2ccc(Cl)cc12)C(F)(F)c1cccnc1 1857531534 NPNIDWGMSMBLOF-UHFFFAOYSA-N 349.768 3.667 0 50 EHAA Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H]3CC[C@H]4C[C@H]43)c12 1875264812 ILNGCVLNXOAMHA-SQWLQELKSA-N 333.391 3.727 0 50 EHAA CC(C)c1ccc(-n2nnnc2SCc2conc2C2CC2)cc1 1875272307 DGZGAZFMWPPKAL-UHFFFAOYSA-N 341.440 3.943 0 50 EHAA CNC(C)(C)CN(C)C(=O)c1cccc2ccn(Cc3ccccc3)c12 1875355080 ZIGTWQAXNGFNBG-UHFFFAOYSA-N 349.478 3.760 0 50 EHAA CCN(CCNCc1cc(C2CC2)n[nH]1)Cc1ccc(Cl)cc1 2325829207 BYZOWARNJARBGW-UHFFFAOYSA-N 332.879 3.552 0 50 EHAA C[C@@H]1CC[C@@H]2CN=C(N[C@H](C)c3nc4c(s3)CCCCC4)N2C1 2325863478 LHGAIVLZWNYKSO-MGPQQGTHSA-N 332.517 3.533 0 50 EHAA CN(Cc1ccc(Br)cc1)C1=NC[C@H](c2ccccc2)N1 2325864416 NTUJJRANUBLTJU-MRXNPFEDSA-N 344.256 3.581 0 50 EHAA C[C@@H]1COc2c(Nc3ncnc4sc5c(c34)CCCC5)cnn2C1 2325870855 RYHFVXMTLMGJRW-JTQLQIEISA-N 341.440 3.539 0 50 EHAA COc1cc(C=O)cc(Br)c1OCc1ccccc1F 37154 SSYNEHJVJMNYRQ-UHFFFAOYSA-N 339.160 3.988 0 50 EHAA CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1 299642 DTVOLZWRPCTMBH-UHFFFAOYSA-N 340.442 3.696 0 50 EHAA O=C1[C@@H](Cc2c[nH]c3ccccc23)N=C(O)N1c1ccc(Cl)cc1 485519 LRKMJKNAAABILV-MRXNPFEDSA-N 339.782 3.693 0 50 EHAA biogenic CCn1cc(Br)c(C(=O)Nc2cccc(Cl)c2)n1 614296 ICYGBHBENYRPIZ-UHFFFAOYSA-N 328.597 3.571 0 50 EHAA COc1ccc(OC)c(NC(=O)Cc2coc3ccc(C)cc23)c1 1062643 AEBRADGYKFROFI-UHFFFAOYSA-N 325.364 3.940 0 50 EHAA O=c1c2cccnc2n(-c2ccccc2)n1Cc1ccc(Cl)cc1 1397112 USAUVIUURZABHW-UHFFFAOYSA-N 335.794 3.889 0 50 EHAA CCCCOc1ccc(C(=O)NCCOc2cccc(OC)c2)cc1 2870100 DZIRSIMQKCEZCM-UHFFFAOYSA-N 343.423 3.683 0 50 EHAA Cc1ccc(C[C@@H](C(=O)Nc2ccc(F)cc2)[C@H](C)C(=O)O)cc1 4801828 BBRLINWIXHPXMR-SUMWQHHRSA-N 329.371 3.652 0 50 EHAA CSc1ccc(NC(=O)N2CCC(N3CCCCC3)CC2)cc1 5152309 DLBJFCFHPGLCMJ-UHFFFAOYSA-N 333.501 3.891 0 50 EHAA O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccccc1F 5581580 XETWQHTVTAHKID-UHFFFAOYSA-N 342.317 3.971 0 50 EHAA CCOc1ccccc1N1CCN(C(=O)Nc2ccccc2C)CC1 6714989 DUAONRPCQWPFFP-UHFFFAOYSA-N 339.439 3.748 0 50 EHAA Cc1nc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cs1 11874047 BAKTXNISXFYQTE-CYBMUJFWSA-N 348.855 3.840 0 50 EHAA Cc1nn(C)cc1-c1ccnc(N2CCC[C@H](c3ccccc3)CC2)n1 19720852 ILSAWWBHCGGJGV-SFHVURJKSA-N 347.466 3.960 0 50 EHAA Cc1ccc(-c2cc(C(F)F)c3c(C)nn(CC(=O)O)c3n2)cc1 20349779 BBYQNRWJRBAXAQ-UHFFFAOYSA-N 331.322 3.737 0 50 EHAA Fc1ccc(OC2CCN(CCc3cn4ccsc4n3)CC2)cc1 20906434 FSODEUNIKKVZAH-UHFFFAOYSA-N 345.443 3.621 0 50 EHAA O=c1c2cc(F)ccc2ncn1CC[C@@H]1CCCCN1C1CCCC1 44632602 KJEIBGGVRSWRQL-KRWDZBQOSA-N 343.446 3.723 0 50 EHAA O=C(NCCCc1ccc(F)cc1)c1ccc(CN2CCCC2)cc1 44906548 VLKGWMQJOVZGMD-UHFFFAOYSA-N 340.442 3.784 0 50 EHAA C[C@@H](c1ccncc1)N(C)C(=O)c1csc(Cc2ccccc2)n1 47278369 CVVNZRMAWDZKPE-AWEZNQCLSA-N 337.448 3.962 0 50 EHAA Cc1ccnc([C@H](Nc2cc(C3CCNCC3)nc(C)n2)C2CC2)c1 67894752 OMOKLJDSEYENSE-HXUWFJFHSA-N 337.471 3.519 0 50 EHAA Cc1ccccc1SC1CCN(C(=O)c2c(Cl)cnn2C)CC1 77355566 SAPKOYDQXXAKNR-UHFFFAOYSA-N 349.887 3.779 0 50 EHAA Cc1nc([C@@H](C)N(C)Cc2nnc(-c3ccc(C)n3C)o2)c(C)s1 77388623 FBWUWOMRVLZCFC-LLVKDONJSA-N 345.472 3.650 0 50 EHAA CCCc1cc(C(=O)NCc2csc(Cc3ccccc3)n2)no1 82133494 KXDNOKMMKMNTNF-UHFFFAOYSA-N 341.436 3.604 0 50 EHAA O=C(O)c1ccc([C@H]2CCCN(C(=O)c3cccn3C3CC3)C2)cc1 95389190 ZETYWPPSRZCCIN-INIZCTEOSA-N 338.407 3.541 0 50 EHAA O=C(NCc1csc2c1CCCC2)c1ccccc1-c1ncc[nH]1 97679702 MJNGSJWWOGBDTB-UHFFFAOYSA-N 337.448 3.947 0 50 EHAA C[C@H](CC(=O)Nc1ccccc1C(=O)N(C)C)c1ccc(F)cc1F 157019406 ZGTHTUPONHBFJF-GFCCVEGCSA-N 346.377 3.799 0 50 EHAA CCOC(=O)C(C(=O)OCC)[C@@H]1C=C([Si](C)(C)C)C=CC1(C)C 169828486 LQALWXJOKWCTAF-AWEZNQCLSA-N 338.520 3.745 0 50 EHAA CC(=O)c1ccc(NC(=O)CC2CCC(C(F)(F)F)CC2)nc1 183489814 YVFHDDYCCUDBID-UHFFFAOYSA-N 328.334 3.982 0 50 EHAA COC[C@@H](NC(=O)Cc1noc2ccccc12)c1ccc(Cl)cc1 193530999 PPCSRBJSFIOGGW-MRXNPFEDSA-N 344.798 3.528 0 50 EHAA OCCOc1ccc(CN2CCCC[C@@H]2c2ccc(F)cc2)cc1 215925119 LMJOIFNOYTWIBQ-HXUWFJFHSA-N 329.415 3.924 0 50 EHAA CSc1ccc(CN2CCC(OCc3ccccn3)CC2)cc1 216403770 ZNEWGIRHXGPYKO-UHFFFAOYSA-N 328.481 3.985 0 50 EHAA CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccnc3ccncc23)c1 225387779 PSBVGDXGSORYSK-LBPRGKRZSA-N 335.363 3.506 0 50 EHAA Cc1cc2ncn(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)c2cc1C 225506712 YLBGPFDEBUKVPX-AEFFLSMTSA-N 325.456 3.834 0 50 EHAA O=C(Cc1cccc(F)c1)Nc1cc(Br)c(Cl)cn1 225762696 HVNAEXKELSINFA-UHFFFAOYSA-N 343.583 3.818 0 50 EHAA O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccco2)C1 252517675 OKCZWLZNRYDGCM-OIISXLGYSA-N 341.382 3.644 0 50 EHAA COc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1C1CC1 253395767 GZBPBYOFRYKSJL-QXAKKESOSA-N 343.467 3.728 0 50 EHAA CC[C@@H](Nc1ncnc2c1ncn2CC)c1ncc(-c2ccccc2)[nH]1 368429666 PNRNYQUHMYMDLG-CQSZACIVSA-N 347.426 3.800 0 50 EHAA CCNc1nc(C)c(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)s1 748010240 YIZRPPGNLMHPMY-SECBINFHSA-N 337.420 3.522 0 50 EHAA CCc1c[nH]c2ncnc(N3CCC4(CC3)OCCc3ccccc34)c12 894133985 GXVSHXHNDWZHOR-UHFFFAOYSA-N 348.450 3.589 0 50 EHAA c1cc(Cn2cc(N[C@H]3CCOC4(CCCCC4)C3)cn2)ccn1 894391696 HNEAILWRCKSILW-KRWDZBQOSA-N 326.444 3.620 0 50 EHAA C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C[C@H]1CC(=O)O 910862689 HFFWJAMPSSDHSC-CODKJTEISA-N 337.419 3.513 0 50 EHAA C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1cnc(O)c2ccccc12 924808501 CNPNGVQRCBRKLT-HBUWYVDXSA-N 339.439 3.803 0 50 EHAA CC(C)(C)c1ccc(OCc2nc([C@@H]3CC34CCNCC4)n[nH]2)cc1 952967592 ZTMAWMDYAIGYIT-INIZCTEOSA-N 340.471 3.538 0 50 EHAA C[C@H]1C[C@@H](c2nc(-c3ccc(F)cc3Br)no2)CCO1 952992851 DQARRMYMWMODRP-IUCAKERBSA-N 341.180 3.921 0 50 EHAA O[C@H](c1cccs1)C1CCN(c2nc(-c3ccccc3)no2)CC1 1529181732 VKUTVQZHBNOYLE-INIZCTEOSA-N 341.436 3.748 0 50 EHAA C[C@@H](COc1cccc(Br)c1)NC(=O)OC(C)(C)C 1772572600 VAMHQRJQNBLPAZ-JTQLQIEISA-N 330.222 3.741 0 50 EHAA C[C@H](N=c1[nH]c2c(s1)C(=O)NC(C)(C)C2)c1cc2ccccc2o1 1875329573 DCPXYIZWLJWZGK-JTQLQIEISA-N 341.436 3.549 0 50 EHAA O=C(O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1-n1cncn1 1875329983 NFXVNXOUMPHZOU-UHFFFAOYSA-N 333.269 3.651 0 50 EHAA O=C(Nc1cc(-n2cccc2)ccc1F)c1cc(-c2ccncc2)no1 1875338327 UCKSRLGUXWQYIA-UHFFFAOYSA-N 348.337 3.919 0 50 EHAA C[C@@]1(C(=O)NCCc2ccc(F)cc2Cl)Cc2ccccc2N1 1875354764 OAKYSIMXFDNCEM-SFHVURJKSA-N 332.806 3.565 0 50 EHAA Cc1c(C(=O)N2C[C@@]3(C)CSC[C@@]3(C)C2)cc(Cl)nc1Cl 1875370169 DPZAKHCJYPRGPN-GASCZTMLSA-N 345.295 3.912 0 50 EHAA COc1nccn2c(-c3ccc([C@@H](C)N4CCCCC4)cc3)cnc12 2356142847 KLPKXEMXHXFDER-OAHLLOKOSA-N 336.439 3.952 0 50 EHAA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)NC(=O)N1 70748 QWMNGZVYFIXETH-MRXNPFEDSA-N 341.798 3.607 0 50 EHAA CCOC(=O)c1c(N)sc(C(=O)Nc2cccc(Cl)c2)c1C 76170 YAWYTNAYRVLXOT-UHFFFAOYSA-N 338.816 3.721 0 50 EHAA COc1ccc(CCN(C)[C@@H](C)Cc2ccc(F)cc2)cc1OC 212181 CQWXATHCZOZKTC-HNNXBMFYSA-N 331.431 3.948 0 50 EHAA COc1ccc(NC(=O)Nc2nnc(-c3ccccc3F)s2)cc1 1243303 XOVAKUWEDWZNES-UHFFFAOYSA-N 344.371 3.997 0 50 EHAA O=C(N[C@@H]1CC(=O)c2sccc21)c1cccc(C(F)(F)F)c1 1386528 DQIHYJNLNFGSJS-LLVKDONJSA-N 325.311 3.824 0 50 EHAA Cc1ccc(SCCNC(=S)NCCc2ccccc2)cc1 2784546 CASWQFSVJUVQGX-UHFFFAOYSA-N 330.522 3.794 0 50 EHAA COc1ccc(Cl)cc1S(=O)(=O)Oc1cc(C)ccc1C 2998299 HXRPZKDYNWDLIX-UHFFFAOYSA-N 326.801 3.733 0 50 EHAA Cc1cccc(-c2noc(CN(C)C(=O)c3ccccc3Cl)n2)c1 5353595 ZHSZKMORCKBHQL-UHFFFAOYSA-N 341.798 3.971 0 50 EHAA Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)oc2ccccc12 8014589 YXPLHDBKVFXEAZ-LLVKDONJSA-N 336.347 3.713 0 50 EHAA Cc1c(C(=O)N(C)c2ccccc2)nnn1-c1cccc(Cl)c1 11690469 DYMXDMNDHVWGIV-UHFFFAOYSA-N 326.787 3.506 0 50 EHAA CC(C)(C)CN1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 11843046 SITKBRDBUCCDCH-UHFFFAOYSA-N 344.499 3.812 0 50 EHAA Cc1cc(S[C@@H](C)C(=O)Nc2nc3ccccc3s2)ncn1 12000507 KLBVAPJAYUHHHW-JTQLQIEISA-N 330.438 3.514 0 50 EHAA CCCc1noc(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)n1 12305586 QWKLDEJVTZQGFK-OAHLLOKOSA-N 325.416 3.544 0 50 EHAA COCc1ccc(CN2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)o1 12576770 POXORRCGADFZDP-MRXNPFEDSA-N 343.423 3.530 0 50 EHAA Cc1ccc2c(C(=O)n3cccn3)cc(-c3ccncc3)nc2c1C 13322533 NTDDBJLVLKAIDN-UHFFFAOYSA-N 328.375 3.799 0 50 EHAA Cc1cc(C)c(C(=O)N2CC[C@]3(CCCN(CC(C)(C)C)C3)C2)[nH]1 14961236 FAHCKBVAVWRBMN-FQEVSTJZSA-N 331.504 3.606 0 50 EHAA Cc1ccccc1CC[C@@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 14972150 QRPGYTQHQMRWOL-SFHVURJKSA-N 339.483 3.533 0 50 EHAA CCOC(=O)Cc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 15837926 NPZDKNPAMWBCTD-INIZCTEOSA-N 342.395 3.754 0 50 EHAA Cc1ccccc1[C@@H]1CC(=O)c2cnc(NCc3ccco3)nc2C1 20101984 ZHZPLWRTZKGPFE-AWEZNQCLSA-N 333.391 3.903 0 50 EHAA CO[C@@H](C(=O)N1CCc2onc(-c3ccccc3)c2C1)c1ccccc1 20535384 BHZZBAYLLNWCJQ-HXUWFJFHSA-N 348.402 3.614 0 50 EHAA Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)n1 20601523 FTMTWGGJRWVBPB-QGZVFWFLSA-N 338.386 3.773 0 50 EHAA CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)c1nnc2ccccn12 20728634 PFSOHXPXTKVHEI-HNNXBMFYSA-N 348.406 3.993 0 50 EHAA N=C1NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)S1 22130564 PUCAOZVXUSMXGM-OQLLNIDSSA-N 328.368 3.543 0 50 EHAA CCC(CC)C(=O)N1CCC(n2cc(C3CCCCC3)nn2)CC1 48482806 RYZLDAUMXGOTPF-UHFFFAOYSA-N 332.492 3.926 0 50 EHAA Cn1ncc2c(N[C@H]3CCc4ccccc43)nc(-c3cccnc3)nc21 72149939 QMXRFJWIJLWEHT-KRWDZBQOSA-N 342.406 3.525 0 50 EHAA CCn1cc(C(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)c(C)n1 92001517 CTUQWLHKUHHPKR-QGZVFWFLSA-N 341.455 3.545 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@H]1Cc1cccc(F)c1 155055740 DXJAXGMPBYYNIF-UGSOOPFHSA-N 343.446 3.893 0 50 EHAA O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1CCCOC1 174508315 MDLOSHJJSRJPDL-GFCCVEGCSA-N 332.787 3.892 0 50 EHAA O=C(N[C@H]1CCN(c2ccc(Cl)cc2)C1)c1scnc1C1CC1 180094128 ALEORLBEIANXNG-ZDUSSCGKSA-N 347.871 3.683 0 50 EHAA O=C(N[C@@H]1CC12CCCCC2)c1ncccc1OCc1ccncc1 180642943 FCNAUUPBYHFNIU-QGZVFWFLSA-N 337.423 3.508 0 50 EHAA COCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@@H](SC)C2)o1 221860841 FOSNIFOMNHKSKL-YUELXQCFSA-N 338.473 3.557 0 50 EHAA Cc1ccc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)cc1 222914065 HGFBASKTFFDWOK-XTXLOEGASA-N 346.430 3.785 0 50 EHAA COc1cccc(Cl)c1C(=O)Nc1ccn(-c2ccccc2)n1 225414497 LMNMQPFYQAPFNS-UHFFFAOYSA-N 327.771 3.787 0 50 EHAA Cc1ccc(-c2cc(CN3[C@H](C(=O)O)C[C@@H]4CCCC[C@@H]43)on2)cc1 237721774 GKCCMNDAZGKXGJ-SNRMKQJTSA-N 340.423 3.868 0 50 EHAA NC1CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)CC1 237841570 XUCLKPHAJOHOSY-UHFFFAOYSA-N 348.805 3.835 0 50 EHAA CC1=NN(c2ccc(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)cc2)CC1 241126156 JJWJSBWGPIJSFW-QDGKJQRMSA-N 337.467 3.827 0 50 EHAA C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[C@H]2c2cccnc2)CC1 242196997 XGVKFICAMNGJBL-CZAAIQMYSA-N 349.478 3.527 0 50 EHAA Cc1cc(CC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)on1 244626551 FNQJQRZKOGBTMS-ZDUSSCGKSA-N 341.436 3.541 0 50 EHAA Cc1nn(C)c(C)c1[C@H](C)NC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 252474531 HAVRODLSUXKUMF-WLSFQCJRSA-N 332.492 3.612 0 50 EHAA CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253614940 LKQDFQLSEHWIRK-TWHJCCPZSA-N 334.500 3.710 0 50 EHAA O=C(O)c1cccc(N[C@@H]2CCCc3cn(C4CCCC4)nc32)n1 263388925 FQEHSUUGXSAJJB-CQSZACIVSA-N 326.400 3.581 0 50 EHAA O=C(Cn1ncc2ccccc21)NC[C@H]1CCCC[C@H]1C(F)(F)F 286665435 DZUSDJGPYAUQNT-TZMCWYRMSA-N 339.361 3.521 0 50 EHAA O=S(=O)(c1ccccn1)N1CC2(CCCCC2)[C@H]1c1ccccc1 333887512 GDVUUNQULOEKFR-GOSISDBHSA-N 342.464 3.778 0 50 EHAA C[C@@H](O)CN(Cc1csc(-c2ccccn2)n1)c1ccccc1 357961400 RTDTYHZRUMBQQZ-CQSZACIVSA-N 325.437 3.593 0 50 EHAA CCn1ccnc1[C@H]1OCC[C@@H]1N[C@@H](C)CCc1c(F)cccc1F 408515996 DMPUUBYENNJPLH-KKXDTOCCSA-N 349.425 3.622 0 50 EHAA CC[C@H]1C=CCN1C(=O)Nc1ccc2c(c1)cc(C)n2CCOC 426632854 IRDQQMFQWSFLDV-KRWDZBQOSA-N 327.428 3.778 0 50 EHAA Cn1cncc1-c1cccc(C(=O)N2CCC(c3ccncc3)CC2)c1 426727491 NHTOZGDEYSERAU-UHFFFAOYSA-N 346.434 3.502 0 50 EHAA COc1ccccc1-c1ncc(CN(C)[C@H](C)c2ccccn2)cn1 430068546 FZQCTYOSOANPGQ-OAHLLOKOSA-N 334.423 3.740 0 50 EHAA O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1cc(-c2ccc(F)cc2)[nH]n1 437463796 VQABOICDJCGSSZ-JCNLHEQBSA-N 335.382 3.892 0 50 EHAA Cc1ccc2nc(CCCN[C@H](C)CCn3ccnc3C)[nH]c2c1C 534653375 GZMDVXMBADCMII-OAHLLOKOSA-N 339.487 3.686 0 50 EHAA Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCc1noc(C2CC2)n1 660972028 VPVBZELCINZBBC-HNNXBMFYSA-N 340.427 3.611 0 50 EHAA COc1ccnc(N(C)C(=O)c2c(Cl)cccc2OCC2CC2)c1 905967422 AOESGHVHQXFLGW-UHFFFAOYSA-N 346.814 3.809 0 50 EHAA Cc1nc([C@H]2CCN(Cc3ccccc3OCc3ccccc3)C2)no1 931936223 MLPCMYOEFWGUFA-IBGZPJMESA-N 349.434 3.947 0 50 EHAA Cc1[nH]nc2c1CN(C(=O)C[C@H](Cc1ccccc1)c1ccco1)CC2 952869734 ZIJIYMKWCANEPT-KRWDZBQOSA-N 349.434 3.612 0 50 EHAA O=C(Nc1ccc2n[nH]cc2c1)N[C@H](c1ccccc1)C(F)(F)F 1775996450 OBAFQVQBHGZHKH-CQSZACIVSA-N 334.301 3.988 0 50 EHAA NCc1ccccc1-c1ccc(C(=O)NCC[C@H]2CCCCO2)cc1 2325774592 ANHKNMYWXOEUID-LJQANCHMSA-N 338.451 3.501 0 50 EHAA CC[C@@H]1CCc2sc(C(=O)N3[C@H](C(=O)O)CCC3(C)C)cc2C1 2325791150 ZBNTZAYLPJSKMY-YPMHNXCESA-N 335.469 3.731 0 50 EHAA C[C@H](Cc1cn(C)c2ccccc12)NCc1ccc2nccnc2c1 2325859956 REBRSNFAQWIINK-OAHLLOKOSA-N 330.435 3.842 0 50 EHAA CCc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)c3C)CC2=O)cc1 60601 ZDASGEBEYWNXCS-KRWDZBQOSA-N 336.435 3.857 0 50 EHAA Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 61988 SIEMITORQMJHOW-AWEZNQCLSA-N 342.826 3.948 0 50 EHAA CC1(C)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)[C@@H]1C=C(Cl)Cl 351878 IWSJHAZYDPEJJX-IINYFYTJSA-N 342.222 3.623 0 50 EHAA COc1ccc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 387162 DFVZOKSUCJQJKM-UHFFFAOYSA-N 345.464 3.927 0 50 EHAA Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1 1481819 BNFRJXLZYUTIII-UHFFFAOYSA-N 341.407 3.727 0 50 EHAA investigational CCOc1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)cc1 4868905 CUOPKYHYRTUWMF-UHFFFAOYSA-N 338.411 3.722 0 50 EHAA O=C(Nc1nc([C@@H]2COc3ccccc3O2)cs1)c1ccccc1 6703436 DLIPUDWURCNQAZ-INIZCTEOSA-N 338.388 3.908 0 50 EHAA Cc1ccc(CCNC(=O)c2ccc3c(c2)nc2n3CC[C@@H](C)C2)cc1 8614450 CMEQQFIQATYOHG-MRXNPFEDSA-N 347.462 3.900 0 50 EHAA COC(=O)COc1ccc2c(Cc3ccc(Cl)cc3)noc2c1 11853888 KADNCZDHKJGPKS-UHFFFAOYSA-N 331.755 3.624 0 50 EHAA COc1ccc(CN2CCC[C@@H](Nc3cccc(F)c3)C2)cc1O 12197622 CONJAXNQFKZCBF-QGZVFWFLSA-N 330.403 3.616 0 50 EHAA CCc1cccc(CC)c1NC(=O)c1ccc(N2CCOCC2)cc1 14396403 VJMXKGLSEWBLEB-UHFFFAOYSA-N 338.451 3.900 0 50 EHAA CC(C)(c1ccccc1)c1ccc(OCCCN2CCNCC2)cc1 20272169 WIWWIBIRURAGMD-UHFFFAOYSA-N 338.495 3.687 0 50 EHAA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1cccc(Cl)c1 20606587 UREPPLNBPNQPSJ-OAHLLOKOSA-N 346.766 3.842 0 50 EHAA Cc1ncc(CN2CCC[C@@H](N(C)CCc3ccccc3)C2)s1 23358238 GNKRLCGGZMEKFP-GOSISDBHSA-N 329.513 3.590 0 50 EHAA CCN(Cc1ccncc1)Cc1nc(-c2cccc(Cl)c2)no1 55281346 VWZQYYKSKXOJRB-UHFFFAOYSA-N 328.803 3.807 0 50 EHAA COc1cc(-c2ccc3[nH]c(CO)c(C)c3c2)cc(OC)c1OC 67947604 QBCNJXKZYHPWBW-UHFFFAOYSA-N 327.380 3.661 0 50 EHAA CC(C)(C)OC(=O)N(Cc1ncccc1F)Cc1ncccc1F 77011211 NCLCGLXSDYMZJL-UHFFFAOYSA-N 335.354 3.692 0 50 EHAA CC(=O)c1ccc(C(=O)N2CCCN(c3ccccc3C)CC2)s1 82098259 MLMVUPNAUKMBET-UHFFFAOYSA-N 342.464 3.612 0 50 EHAA Cc1cccc(CN(C[C@H]2CCCO2)C(=O)CCc2ccncc2)c1 97468679 OAKZOOGHOKUGPD-HXUWFJFHSA-N 338.451 3.530 0 50 EHAA Clc1ccccc1COc1ccccc1-c1nc2c([nH]1)CCNC2 97766460 FDJRHRSCGRZGNV-UHFFFAOYSA-N 339.826 3.955 0 50 EHAA CCO[C@@H]1C[C@H](N(C)C(=O)[C@H](C)c2c(C)noc2C)C12CCCC2 110612906 XYRJGIDFTUWIPD-UHOFOFEASA-N 334.460 3.591 0 50 EHAA C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1nc(-c2ccco2)cs1 117609837 HEVWVTDXMRCOFF-BMIGLBTASA-N 326.377 3.906 0 50 EHAA COc1ccc([C@@H]2CCCN2C(=O)Nc2ccnc(C)c2)c(OC)c1 119961050 GNATVCOVONBIED-KRWDZBQOSA-N 341.411 3.776 0 50 EHAA COc1cc(C(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)ccc1OC(C)=O 143028590 KUGMSYFFXZDRGR-CFLQYTFWSA-N 346.423 3.992 0 50 EHAA biogenic CCO[C@@H]1C[C@H](N(C)c2nn3cc(C(C)(C)C)nc3s2)C1(C)C 170637132 REPQAJKHSJLPQR-QWHCGFSZSA-N 336.505 3.728 0 50 EHAA O=C(Cc1cccc(Cl)c1Cl)N1CCCC[C@@H]1c1ncon1 194164057 LKQIJWSFTKDNMN-GFCCVEGCSA-N 340.210 3.673 0 50 EHAA CN1C(=O)c2ccccc2N(C2CCCC2)c2nc(Cl)ncc21 214491010 PIBYVFANTXHAIR-UHFFFAOYSA-N 328.803 3.801 0 50 EHAA Clc1cnccc1CN1CCN(c2nsc3ccccc23)CC1 215508752 CWBPLNXGKLXKQH-UHFFFAOYSA-N 344.871 3.667 0 50 EHAA C[C@H](Cc1ccccn1)NC(=O)C1(c2ccc(Cl)cc2)CCC1 216323020 VZKWHBXGNRXIPW-CQSZACIVSA-N 328.843 3.904 0 50 EHAA O=C(N[C@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)C1CCCCC1 240662363 PKJXRWFENFAZTC-HQRMLTQVSA-N 338.451 3.743 0 50 EHAA C[C@@H](C(=O)Nc1ccccn1)N(Cc1ccc2[nH]ccc2c1)C1CC1 252483461 FBZKJPHXYLMNCK-AWEZNQCLSA-N 334.423 3.555 0 50 EHAA CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N[C@@H]1CCCc2occc21 281934855 QERNPPMFFLRRCK-CQSZACIVSA-N 337.423 3.918 0 50 EHAA O=C(Nc1ccn(CCc2ccncc2)n1)C1(c2ccccc2)CCC1 299514906 GHCKJSNRLKHIMF-UHFFFAOYSA-N 346.434 3.581 0 50 EHAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1cccc(OC3CCCC3)c1)CC2 299781610 RPSRFRJVWAILEJ-DZFGPLHGSA-N 345.483 3.512 0 50 EHAA O=C(N=c1ccc(C2CC2)n[nH]1)N1CCC[C@@H]1c1ccc(Cl)cc1 333574018 QFUNVZNZYKHRBH-MRXNPFEDSA-N 342.830 3.798 0 50 EHAA CC(=O)c1cc(C(=O)N[C@H]2c3ccccc3CC[C@H]2C)c(C)nc1C 362404518 SPYRFSCXEIXPOL-MPBGBICISA-N 336.435 3.954 0 50 EHAA FC(F)(F)c1csc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)n1 377767046 LXAXLVBDHYIKIE-MFKMUULPSA-N 332.391 3.695 0 50 EHAA CC(C)Oc1cccc(-c2ccc([C@@H](O)CN3CCOCC3)cc2)c1 426486554 ZKOXSJNDPSKXMH-NRFANRHFSA-N 341.451 3.506 0 50 EHAA COc1ccc2cc([C@@H](C)NC(=O)NC3(CO)CCCC3)ccc2c1 426546227 PNZNZCGCLBFGKU-CQSZACIVSA-N 342.439 3.514 0 50 EHAA CC[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1ccc(OC)cn1 888098574 LFSFPGHUKCTCSW-SJLPKXTDSA-N 329.444 3.561 0 50 EHAA C[C@H](c1noc([C@@H]2CCCN(Cc3ccccc3)C2)n1)[C@@H]1CCCO1 903802507 DIHIZRFGPKKISO-JQHSSLGASA-N 341.455 3.732 0 50 EHAA C=Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cc1 1474862404 QUOCYKHIJCEEMZ-GOSISDBHSA-N 345.439 3.865 0 50 EHAA COc1cccc(CCC(=O)Nc2nnc(SC(C)C)s2)c1 1506417061 KSSIXGFWXRKIMB-UHFFFAOYSA-N 337.470 3.619 0 50 EHAA Cc1ccc(CN(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c2ccccc12 1529100728 XXFZMWUDAGJRDI-CEXWTWQISA-N 336.479 3.837 0 50 EHAA CCOc1ccc(-c2nccn2[C@@H]2CCN[C@@H](CC)C2)cc1OC 1857734072 CLTZZKDOLJIHFK-JKSUJKDBSA-N 329.444 3.661 0 50 EHAA C[C@H]1CN(C)CC[C@H]1NC(=O)Cc1ccc(C2CCCCC2)cc1 1875267670 VOBCQKDVZSWVLY-OXJNMPFZSA-N 328.500 3.733 0 50 EHAA Cc1nn([C@@H](C)C(=O)N2C[C@@H]3[C@@H](C[C@H]3c3ccccc3)C2)cc1Cl 1875395219 RQKJHPLEELBXRE-QSPRXWTASA-N 343.858 3.668 0 50 EHAA CCN(Cc1ccc2ccccc2n1)C(=O)[C@H]1CCCc2nc(C)[nH]c21 2325806094 SNEKVTQKMPVTJC-KRWDZBQOSA-N 348.450 3.735 0 50 EHAA Cc1cnn(CC2CCN(C(=O)NC[C@H]3CCCC(C)(C)C3)CC2)c1 2325842966 OAYFNCMVFNUEIW-SFHVURJKSA-N 346.519 3.830 0 50 EHAA O=C(CCc1cc[nH]n1)Nc1ccc(Oc2ccc(F)cc2)cc1 2325854376 APMJIOPTEANCCL-UHFFFAOYSA-N 325.343 3.912 0 50 EHAA O=C1C(Cl)=C(Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1 122015 XBIHURNCWMYXMS-UHFFFAOYSA-N 333.174 3.776 0 50 EHAA O=C(NCc1ccccn1)c1ccc(COc2ccc(Cl)cc2)o1 135620 PBVOICCAVGEPKP-UHFFFAOYSA-N 342.782 3.837 0 50 EHAA CCOC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 146056 PHIFTDWTJVRNKV-UHFFFAOYSA-N 348.196 3.878 0 50 EHAA COc1ccc(OCCCC(=O)Nc2ccc(N(C)C)cc2)cc1 1778327 BIYCULNGCIGWLL-UHFFFAOYSA-N 328.412 3.559 0 50 EHAA CCCOc1ccnc(SCC(=O)Nc2cccc(C)c2C)n1 2805601 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C[C@H]1CCN(C(=O)C2CCNCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 225562182 IGVONATZDIEUSU-LRDDRELGSA-N 340.389 3.615 0 50 EHAA COc1cc(F)c([C@H](C)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)cc1OC 230219166 VMTITDZYKZVXLJ-KRRMDGCSSA-N 325.424 3.553 0 50 EHAA Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3F)C2)n1 247942281 VASNCHIOTSVITQ-BPQIPLTHSA-N 341.430 3.606 0 50 EHAA CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 253621877 RGHGKGRVFXQGOV-KNRWEWFBSA-N 348.527 3.956 0 50 EHAA O[C@@H](C[C@@H]1CCCN1c1nccc(C(F)(F)F)n1)c1ccccc1 266233809 VFHYPWBOJXCFCK-KBPBESRZSA-N 337.345 3.588 0 50 EHAA CCc1nc(N[C@@H]2CCC[C@H]([S@](=O)CC)C2)c2ccsc2n1 270322258 VMDVESVJTJDSHR-HIMNYSJASA-N 337.514 3.745 0 50 EHAA CC1(C)CCc2nc(NC(=O)[C@@H]3CCC(=O)c4cccn43)sc2C1 333188052 RKCJYLTYZMIZPL-ZDUSSCGKSA-N 343.452 3.616 0 50 EHAA COc1ccccc1[C@H](N[C@H]1CCc2nccn2C1)C1CCCC1 375841207 NIEHXZVUYQACKT-OXJNMPFZSA-N 325.456 3.728 0 50 EHAA Cc1nc([C@H]2CCCCN2Cc2ncc(Cl)cc2Cl)n[nH]1 408473371 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CC(C)(C)C1CCN(C(=O)c2cnn(CCC(F)(F)F)c2)CC1 182442038 PRLHIBKGLDIBLG-UHFFFAOYSA-N 331.382 3.734 0 50 EHAA Cc1ncsc1C(=O)N1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C 187095923 GKYGUEAUKAJEML-YGRLFVJLSA-N 336.844 3.707 0 50 EHAA CC(C)(CNC1CCC(Oc2cnccn2)CC1)c1ccccc1 190322204 NIQIUARZHKFLOY-UHFFFAOYSA-N 325.456 3.734 0 50 EHAA C[C@H](CC(=O)N1C[C@@H](C(=O)O)c2ccccc21)c1ccc(F)cc1F 192939719 JBSGCGFUUMQBLT-IAQYHMDHSA-N 345.345 3.673 0 50 EHAA Cc1cc2occ(CC(=O)NCCNc3cccnc3)c2cc1Cl 215660101 BZARNYVDQKLROO-UHFFFAOYSA-N 343.814 3.560 0 50 EHAA COCc1nn2cc(C(=O)CCC(C)C)nnc2c1-c1ccccc1 226075524 BTFGJPLNUZAICJ-UHFFFAOYSA-N 338.411 3.557 0 50 EHAA C[C@@H]1C[C@H](CC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)CC(C)(C)C1 240321530 FABAOIIQCZQSLO-QBPKDAKJSA-N 336.520 3.745 0 50 EHAA Cc1ccc(NC(=O)CCN(C)CC[C@@H](O)c2ccccc2)cc1C 243919543 BOSKMJHZOMWBCT-HXUWFJFHSA-N 340.467 3.688 0 50 EHAA CCN(Cc1ccc2[nH]ccc2c1)C(=O)c1cc(OC)ccc1OC 252500478 SWNBUIVUGAODIY-UHFFFAOYSA-N 338.407 3.847 0 50 EHAA CC(C)(C)c1cnc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)s1 253429632 UHFWLFGXIAUDFG-WBMJQRKESA-N 326.531 3.585 0 50 EHAA CCc1c(C)nc2ccccc2c1N1CCC(N2CCCC2=O)CC1 272219504 NHOSGCPECBPINM-UHFFFAOYSA-N 337.467 3.697 0 50 EHAA Cn1cncc1[C@H]1C[C@H](NCc2csc3ccccc23)CCO1 275505233 JXVAFLRJOQPOKO-RHSMWYFYSA-N 327.453 3.645 0 50 EHAA CCN(C(=O)c1ccc(O[C@H]2CCOC2)cc1)c1ccccc1C 279037611 PXKFOOLYSWGOCG-SFHVURJKSA-N 325.408 3.829 0 50 EHAA COc1ccc(CN2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)nn1 284914388 HGYBJWJFGQBAOJ-GOSISDBHSA-N 349.438 3.603 0 50 EHAA Cc1oc(CN(C)C(=O)C2(c3ccc(F)cc3)CCC2)cc1C(=O)O 299749269 JTROUPWKKKMITH-UHFFFAOYSA-N 345.370 3.506 0 50 EHAA CN(Cc1n[nH]c2c1CCCCC2)C(=O)Nc1ccc(F)cc1F 299761711 XMTIELQKJBOHQR-UHFFFAOYSA-N 334.370 3.621 0 50 EHAA CC(=O)c1[nH]c(C)c(C(=O)N2CCc3ccc(F)cc3[C@@H]2C)c1C 299777772 CPEZCSSCAIXKAH-LBPRGKRZSA-N 328.387 3.733 0 50 EHAA FC(F)(Br)c1nc2ccc(Br)cc2[nH]1 307037296 DQUNNEOSXYQJMW-UHFFFAOYSA-N 325.938 3.770 0 50 EHAA CN1CCC([C@@H]2CCN(C(=O)c3ccc(SC4CC4)cc3)C2)CC1 341111169 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0 50 EHAA O=[S@@](Cc1cc(-c2cccs2)on1)Cc1nc2ccccc2[nH]1 1875320662 UHSUULDMXCWDBS-QHCPKHFHSA-N 343.433 3.728 0 50 EHAA CN(c1nc(-c2ccccc2)nc2c1CCC2)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100534664 SJQUYHHSKTXGDQ-USTZCAOPSA-N 349.478 3.618 0 50 EHAA COc1cc2c(cc1OC)[C@]1(C)N(CC2)C(=O)OC12CCCCC2 52374 YEOUKSXVZKMTQY-SFHVURJKSA-N 331.412 3.630 0 50 EHAA Cc1cc(C)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 75714 OQGODVJHBZHYHE-UHFFFAOYSA-N 341.358 3.843 0 50 EHAA COc1cc(NC(=O)COc2cccc3ccccc23)cc(OC)c1 441841 XEIIHRXASHVAPL-UHFFFAOYSA-N 337.375 3.875 0 50 EHAA CCN(CC)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 457169 PORKINHGDKZPQZ-UHFFFAOYSA-N 341.480 3.589 0 50 EHAA Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2nsnc12 615302 TYSAGRJFWOOULB-UHFFFAOYSA-N 336.376 3.907 0 50 EHAA aggregator Cc1cc(C)c2c(N)c(C(=O)N(C)Cc3ccccc3)sc2n1 1422521 YBVRSHBKRKJIEA-UHFFFAOYSA-N 325.437 3.768 0 50 EHAA CCOC(=O)c1cnn2c(C(F)F)cc(-c3ccc(F)cc3)nc12 2752012 SBCIAHLMHBTYOX-UHFFFAOYSA-N 335.285 3.650 0 50 EHAA CC(C)(C)C(=O)C[C@@]1(C(F)(F)F)NN=C(c2ccccc2)S1 5379495 IXYLFVIGFFIRLB-CQSZACIVSA-N 330.375 3.949 0 50 EHAA Cc1cc(F)ccc1NS(=O)(=O)c1ccc(Br)cc1 14224923 STMCMTUVWDNIGS-UHFFFAOYSA-N 344.205 3.697 0 50 EHAA CCN(CCn1cccn1)Cc1nc(-c2ccc(F)cc2F)oc1C 15068099 RNPXUKIEIURCHR-UHFFFAOYSA-N 346.381 3.647 0 50 EHAA Cc1ccnc(C[C@H](C)N(C)C(=O)CCc2ccc(F)c(F)c2)c1 55054179 ITQHLCXHQLYZCL-AWEZNQCLSA-N 332.394 3.690 0 50 EHAA CN1CCN(Cc2ccccc2Oc2nccc3ccccc23)CC1 67878139 DMPTUDIDKSELJF-UHFFFAOYSA-N 333.435 3.775 0 50 EHAA CC(C)Cn1cncc1CN1CCO[C@H](c2ccc(Cl)cc2)C1 71764115 VCCXHFVYOYNSBZ-SFHVURJKSA-N 333.863 3.766 0 50 EHAA C[C@H]1CCCCN1CCC(C(N)=O)(c1ccccc1)c1ccccc1 71769750 RSGZFCYQCKXIQH-SFHVURJKSA-N 336.479 3.723 0 50 EHAA Cc1cc(Cl)cc2c(N3CCC[C@@]4(CN(C)C(=O)O4)C3)ccnc12 72479626 SFFTTWTXZCAPND-GOSISDBHSA-N 345.830 3.618 0 50 EHAA COc1cc(CNC(=O)N2CCCCC[C@@H]2c2ccco2)ccc1O 77550496 JVEWDJXZORZDFJ-OAHLLOKOSA-N 344.411 3.821 0 50 EHAA CCN(CC)[C@H]1CCN(C(=O)c2[nH]c3c(C)cc(C)cc3c2C)C1 91650517 SMPRYHLFONWIOO-INIZCTEOSA-N 327.472 3.649 0 50 EHAA CCc1nc(CN(C)C(=O)c2cc(Cl)c(C)c(Cl)c2)no1 91964731 PMQGBYDVQKQKAW-UHFFFAOYSA-N 328.199 3.519 0 50 EHAA CCCc1nc(C)c(CNC(=O)CC2CCN(C(C)C)CC2)s1 95370575 FURDGHHLGGHFNK-UHFFFAOYSA-N 337.533 3.531 0 50 EHAA Cc1cc(C)c2c(NCc3nc(C4CCCCC4)no3)ncnc2n1 95374079 NGJWBZFAIAEGKQ-UHFFFAOYSA-N 338.415 3.684 0 50 EHAA O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCCC[C@H]1c1cccnc1 97474996 MTBXPRPPAHNDAA-IBGZPJMESA-N 332.407 3.839 0 50 EHAA O=C(c1ccc(-n2ccnc2)cc1)N1CCCC[C@@H]1c1cccnc1 97632102 OXHQASDAKGYBQD-LJQANCHMSA-N 332.407 3.635 0 50 EHAA Cc1cnccc1N1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 97717426 KLFZAEYRMXEVSH-IBGZPJMESA-N 341.455 3.547 0 50 EHAA CN(Cc1ccccc1N1CCCC1)Cc1cc2ccccc2[nH]c1=O 111681761 FMYNZWOCPKCJEF-UHFFFAOYSA-N 347.462 3.760 0 50 EHAA CNS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cccc(C)c2C)cc1 151876145 XFCJGVSPPGCBCM-JKSUJKDBSA-N 346.496 3.623 0 50 EHAA O=C(NCc1ncc(-c2ccccc2)o1)c1cccnc1C(F)(F)F 170607662 VKGYPDSFZKVMIA-UHFFFAOYSA-N 347.296 3.685 0 50 EHAA COc1ccc(NC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 179120530 BBXVWUBPMUSXII-BEFAXECRSA-N 340.423 3.985 0 50 EHAA C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)CCO1 189354919 BKKPZZXOJCJXTF-GFCCVEGCSA-N 338.835 3.772 0 50 EHAA O=C(CCc1ccccc1)N1CCN(c2cncc3ccccc23)CC1 190398824 AJYYHUWQSMAUDG-UHFFFAOYSA-N 345.446 3.516 0 50 EHAA C[C@H](N)[C@@H](C)C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 192061306 UGPSIFYLTHTCEX-BDAKNGLRSA-N 343.374 3.751 0 50 EHAA C[C@@H]1c2ccsc2CCN1C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 222028046 KLEKXESOEDLSHB-IXERNEQCSA-N 345.508 3.915 0 50 EHAA CCC(=O)Nc1ccc(-c2csc(CCCC(=O)OC)n2)cc1 225746270 GMNRTRYUVWZLJG-UHFFFAOYSA-N 332.425 3.654 0 50 EHAA COC(=O)Nc1cccc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c1 241171086 KEAUFMZWANEZKY-LBPRGKRZSA-N 344.333 3.668 0 50 EHAA Cc1cc(C(=O)N2CCOc3ccc(F)cc3C2)c(C)n1C1CC1 241942365 ULYHKTGOUHTVJY-UHFFFAOYSA-N 328.387 3.614 0 50 EHAA Cc1cccc(N2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)c1 244659450 HCVYGDMZYSVORW-UHFFFAOYSA-N 342.870 3.976 0 50 EHAA Cc1ccc(-c2nc(CN3CCC(c4ccnc(C)n4)CC3)no2)cc1 244787758 QDDHLBXXIQCJGA-UHFFFAOYSA-N 349.438 3.523 0 50 EHAA Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1C 246977941 OEJVAIBEWPDLPP-FCGDIQPGSA-N 342.483 3.963 0 50 EHAA CC(=O)N1CCCc2cc(C[C@H]3CC(=O)N(c4ccccc4)C3)ccc21 252480508 CBFHLRLUFDTFJM-SFHVURJKSA-N 348.446 3.581 0 50 EHAA CC(C)c1cc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n[nH]1 273610883 VTKRLUPZTJINAY-QAPCUYQASA-N 345.418 3.665 0 50 EHAA CSCc1cccnc1C(=O)NCCc1ccc(Cl)s1 289563719 RGRCZNOCRKOBIH-UHFFFAOYSA-N 326.874 3.632 0 50 EHAA COc1ccccc1N1CC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 299617480 WARSTWUDHUGNIN-INIZCTEOSA-N 339.439 3.652 0 50 EHAA CC(C)c1cc(CN(C)C(=O)c2cccc(-c3cncnc3)c2)no1 299763688 ZMIPOWRYVRDVRO-UHFFFAOYSA-N 336.395 3.527 0 50 EHAA CN(C[C@@H]1CCCCO1)C(=O)c1cccc(-c2ccncc2F)c1 299781015 QUMKJNIWAVECTG-INIZCTEOSA-N 328.387 3.529 0 50 EHAA CCc1sc(C(=O)N2CC[C@@H](C(=O)O)c3ccccc32)cc1C 322412615 ZQTJPUOAJLANMD-CYBMUJFWSA-N 329.421 3.838 0 50 EHAA CC(C)n1ncc2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc21 337523904 FHJSDRIWENFUTO-UHFFFAOYSA-N 335.367 3.853 0 50 EHAA Cc1ccnc(NC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)c1 353724694 QAZCATKCZZGMPF-QGZVFWFLSA-N 327.403 3.522 0 50 EHAA COC[C@H]1CCCN(C(=O)c2oc(-c3ccccc3)nc2C)CC1 408520791 XFIPYUVBTPZXRM-HNNXBMFYSA-N 328.412 3.539 0 50 EHAA CC1(C)CN(C(=O)c2cc(-c3ccncc3)[nH]n2)C[C@H]1c1ccccc1 426581346 VXISMZXCCPNSMI-KRWDZBQOSA-N 346.434 3.738 0 50 EHAA CC[C@@H]1C=CCN1C(=O)Nc1ccc2sc(C(=O)N(C)C)cc2c1 426693701 IQMQHTXFSHOAKG-CQSZACIVSA-N 343.452 3.785 0 50 EHAA CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1OC)c1cccnc1 822830911 LPDAHJURMDLILS-MRXNPFEDSA-N 348.468 3.608 0 50 EHAA C[C@@H]1CCCN(C(=O)Nc2ccc3cnccc3c2)[C@@H]1CCCN 904501075 TYHDGNSLKCNGKX-RDTXWAMCSA-N 326.444 3.606 0 50 EHAA COc1cc(C(F)(F)F)ccc1-c1cncc([C@@H]2OCC[C@H]2N)c1 904909588 SUWHEYMTOCXFJI-ZBFHGGJFSA-N 338.329 3.565 0 50 EHAA Cc1oc(C(C)C)nc1C(=O)Nc1ccc(C[C@@H](C)C(=O)O)cc1 909523564 ONKOLVDVWOITKG-LLVKDONJSA-N 330.384 3.622 0 50 EHAA CC(=O)c1ccc(C(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)s1 952983379 KZWJCRYGIJRHPR-LLVKDONJSA-N 342.420 3.718 0 50 EHAA CCCCn1ncc(C)c1NC(=O)c1cc(-c2ccccc2)nn1C 1506403218 SKFDZNJOKSELQZ-UHFFFAOYSA-N 337.427 3.644 0 50 EHAA CNC(=O)c1cc(-c2cc(OC(F)(F)F)ccc2O)ccc1Cl 1772814025 FXKQCWVAFIBCLI-UHFFFAOYSA-N 345.704 3.971 0 50 EHAA Cc1cc(C)n(-c2ccc(F)cc2-c2nccn2[C@@H]2CC[C@H](N)C2)n1 1857696688 LMBXTZYAKRYGKE-JKSUJKDBSA-N 339.418 3.544 0 50 EHAA Clc1cc2ccccc2c(N2CCN(Cc3ccncc3)CC2)n1 1875336922 KBDDNBLYQYJAJA-UHFFFAOYSA-N 338.842 3.605 0 50 EHAA COC[C@@H](CC(C)(C)C)NC(=O)c1ccc2c(n1)CCC(C)(C)C2 1875357307 AZPKEASGJOZWJA-OAHLLOKOSA-N 332.488 3.778 0 50 EHAA Cc1ccc2cc(NC(=O)C[C@H](Cc3ccccc3)C(=O)O)ccc2n1 1875360668 FAFLLRIDZYTROL-KRWDZBQOSA-N 348.402 3.815 0 50 EHAA CCN1CCC[C@@H](NCc2cccc(-n3cncn3)c2)c2ccccc21 2325773696 QAISGUWYOZWBTO-HXUWFJFHSA-N 347.466 3.718 0 50 EHAA COc1cc(CC2CC2)ccc1OCC(=O)N(C)c1ccc(C)cc1 2325870420 XJCONTGZXMEFLU-UHFFFAOYSA-N 339.435 3.998 0 50 EHAA C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C(N)=O)C1 37388 ASWPAWOLEVHEGA-OANVXVOSSA-N 340.448 3.624 0 50 EHAA Cc1cccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1C 95674 WOJJSROQKBREDM-INIZCTEOSA-N 326.421 3.745 0 50 EHAA CCc1ccccc1NC(=O)C[C@H]1Nc2cc(C)c(C)cc2NC1=O 118779 ROADWPZZCOBHBZ-GOSISDBHSA-N 337.423 3.627 0 50 EHAA CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccccc1OC 466427 FCWQYUDUQUGDNO-OAHLLOKOSA-N 331.441 3.611 0 50 EHAA CC(=O)O[C@H]1C[C@@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 1318349 WGJULUODXUVWJZ-LKSBUDPDSA-N 344.451 3.629 0 50 EHAA COc1ccc2[nH]cc(CCNC(=S)Nc3ccc(F)cc3)c2c1 2224837 OVOSXEUNOBZQOM-UHFFFAOYSA-N 343.427 3.845 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(c1ccccc1)c1ccccc1 2556727 TYJDOLCFYZSNQC-QGZVFWFLSA-N 341.407 3.796 0 50 EHAA in-vitro CCCCOc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 2837938 ONFIRCPVRJBFGK-UHFFFAOYSA-N 344.455 3.811 0 50 EHAA CN(CCOC(=O)c1cc(Br)ccc1Cl)C(C)(C)C 2926818 LZDBNMRHOHBUEC-UHFFFAOYSA-N 348.668 3.990 0 50 EHAA Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 2961527 BJNJFJGRQZGYAS-CYBMUJFWSA-N 328.799 3.640 0 50 EHAA COc1ccc(CNc2nc(-c3ccc(C)cc3)nn2C(C)=O)cc1 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3.728 0 50 EHAA C[C@@H](NC(=O)/C=C/CN(C)C)c1ccccc1-c1ccc(F)cc1 1875378863 KNGUXBZOAHGGCB-RZIFZGNASA-N 326.415 3.788 0 50 EHAA Fc1ccc(C2OCCO2)cc1CNCc1snc2ccccc12 1875406110 XBPNRLVPKWVLNF-UHFFFAOYSA-N 344.411 3.771 0 50 EHAA Cc1ccc(CN2CCCN(Cc3ccc4cc[nH]c4n3)CC2)cc1 2325856442 PTVWSBXLAHXWIS-UHFFFAOYSA-N 334.467 3.579 0 50 EHAA CC1(C)[C@H]2CC=C(CCOC(=O)c3cnn(C4CCOCC4)c3)[C@@H]1C2 2325865781 QJLCMAVCLVFBFJ-WMZOPIPTSA-N 344.455 3.774 0 50 EHAA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)NC(=O)N1 71637 NKTVNOMBMWNAOQ-MRXNPFEDSA-N 341.798 3.607 0 50 EHAA O=C(c1ccccc1Cl)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 196577 VFRCJZKXIMFQMA-QMTHXVAHSA-N 346.736 3.593 0 50 EHAA CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)cnn2c1C 208584 BCBQJDFEQBUSHI-UHFFFAOYSA-N 343.814 3.772 0 50 EHAA COc1ccc(-c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 297329 MBGYUEQOJTXEPF-UHFFFAOYSA-N 325.393 3.774 0 50 EHAA Cc1ccc(SCC(=O)N2CCN(c3ccccc3F)CC2)cc1 317185 CCJSIBKDMLTZIK-UHFFFAOYSA-N 344.455 3.575 0 50 EHAA COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 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CCN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 12309072 FABHQPYGIHYQOJ-QGZVFWFLSA-N 325.412 3.687 0 50 EHAA C[C@H](O)c1nc2ccccc2n1Cc1cccc(Br)c1 12383970 UVHKFOCGCLQXHL-NSHDSACASA-N 331.213 3.900 0 50 EHAA CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)C1=CCCC1 12386409 SVTHZBUUFWNWLE-UHFFFAOYSA-N 344.474 3.649 0 50 EHAA CC(C)CNC(=S)Nc1cnn(Cc2ccc(F)cc2Cl)c1 13331077 KYCPEMHHWLGJDP-UHFFFAOYSA-N 340.855 3.666 0 50 EHAA CCCc1cc(C(=O)Nc2nc(C)c(C(=O)OCC)s2)cs1 13745808 STAQHEIVMARVDC-UHFFFAOYSA-N 338.454 3.895 0 50 EHAA O=C(NCc1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 16396249 HJNGEKMOEJOJSW-UHFFFAOYSA-N 342.870 3.868 0 50 EHAA Cc1nc2c(C(=O)N3CCO[C@H](CCCC(C)C)C3)cccc2[nH]1 71747476 RFXCGXIDCOSCFA-OAHLLOKOSA-N 329.444 3.539 0 50 EHAA Cc1cc(Cl)c2oc(C(=O)NCCc3csc(N)n3)c(C)c2c1 77408432 XWLBWOJVZGNKPU-UHFFFAOYSA-N 349.843 3.714 0 50 EHAA Cc1cccnc1CN1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 77439954 KKSZUGYKLQGPNW-NRFANRHFSA-N 343.515 3.641 0 50 EHAA CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CCCc2cc(OC)ccc21 91494280 QQIHQFGIHONMRO-QGZVFWFLSA-N 341.455 3.842 0 50 EHAA O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@]2(CCOC2)C1 95388283 DZRGELRTXLHEIR-HNNXBMFYSA-N 328.334 3.740 0 50 EHAA COc1ccc(-c2ccccc2NC(=O)NC2(CO)CCCC2)cc1 96133349 CIEQSPRJRKPYIN-UHFFFAOYSA-N 340.423 3.789 0 50 EHAA Cc1ccc2nc([C@H](C)Nc3nccc(-c4ccccn4)n3)[nH]c2c1 96141363 YXXMSMXLVFWASN-ZDUSSCGKSA-N 330.395 3.896 0 50 EHAA CSc1ccc2c(c1)CCN(C(=O)c1cc(CC(C)C)n[nH]1)C2 97745105 OAPZERYIFSKFKG-UHFFFAOYSA-N 329.469 3.529 0 50 EHAA CCc1ncc(C(=O)NCC[C@H](c2ccccc2)c2ccco2)cn1 97805741 CRZZGDYJQINTNG-QGZVFWFLSA-N 335.407 3.584 0 50 EHAA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)[C@@H]1CCCC[C@H]1O 104236387 CQVOIOBFRCONBF-BMGDILEWSA-N 333.472 3.513 0 50 EHAA O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCC[C@H]1c1ncc[nH]1 120125185 NHRQUXDGKCYNJC-HNNXBMFYSA-N 328.803 3.912 0 50 EHAA CC1(COC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)COC1 133825826 MJSKCTZQCDWWEZ-SDQBBNPISA-N 334.721 3.865 0 50 EHAA OCCc1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1 157314108 WJEBTAHUVSMGDD-UHFFFAOYSA-N 326.421 3.897 0 50 EHAA 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O=C(COc1c(Cl)cc(Cl)cc1Cl)NCc1ccco1 407406 UIYFFLUPCOJJQV-UHFFFAOYSA-N 334.586 3.935 0 50 EHAA COc1ccc(CSc2nnc(Cc3cccs3)n2C)cc1 615103 PSGCKQFZVYVZKF-UHFFFAOYSA-N 331.466 3.768 0 50 EHAA O=C(Nc1c(F)cc(F)cc1Br)c1cc(C2CC2)on1 2465712 LGUWQIBEXYYXRO-UHFFFAOYSA-N 343.127 3.845 0 50 EHAA O=C1C(=O)N(Cc2ccc(OCc3ccccc3)cc2)c2ccccc21 2700370 OQVVKHOZXVHITB-UHFFFAOYSA-N 343.382 3.995 0 50 EHAA CCC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 4814408 NLLQJWAELIGRRA-UHFFFAOYSA-N 329.425 3.623 0 50 EHAA COc1cc(NC(=O)c2cccc(C)c2OC)c(OC)cc1Cl 4841481 SWEJFJZBOXMDNX-UHFFFAOYSA-N 335.787 3.927 0 50 EHAA Cc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)CCC3=O)c2)cc1 5794480 KUWRGAMWOZUNLK-UHFFFAOYSA-N 342.782 3.554 0 50 EHAA O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 6214020 YPECKWIZIKIDHY-UHFFFAOYSA-N 337.269 3.784 0 50 EHAA COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2ccncc2)C1 12319779 MGUGWRDRACUAMV-HNNXBMFYSA-N 344.842 3.839 0 50 EHAA CCOC(=O)c1[nH]c2ccc(Br)cc2c1Br 12336627 HMCUTBIAGPRORJ-UHFFFAOYSA-N 347.006 3.870 0 50 EHAA CCc1ccc(CN(C)c2nncc(-c3cccc(OC)c3)n2)cc1 12573633 UBAVYRJIENIUOH-UHFFFAOYSA-N 334.423 3.746 0 50 EHAA CN(Cc1ccc2ccccc2n1)C(=O)c1cccc(-n2cccn2)c1 19225642 WHFLACPRLDKSDZ-UHFFFAOYSA-N 342.402 3.693 0 50 EHAA Cc1cc(OCC(=O)Nc2ccc3[nH]ncc3c2)cc(C)c1Cl 20352299 CBSXRSJTDYBUCB-UHFFFAOYSA-N 329.787 3.851 0 50 EHAA COC(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1C(=O)OC 22340640 GGWPDRLLYIRAAM-UHFFFAOYSA-N 337.331 3.582 0 50 EHAA Cc1c(CC(=O)N2CCCCO2)c2c(n1C(C)C)CC(C)(C)CC2=O 39442560 GZNRXPMQOGXSEH-UHFFFAOYSA-N 346.471 3.629 0 50 EHAA C[C@@H](c1ccc(-c2coc3ccccc3c2=O)cc1)N1CCOCC1 65406981 JQPLDPFEMAKSNK-HNNXBMFYSA-N 335.403 3.853 0 50 EHAA Cc1nnc(SCc2nc(C3CC3)nn2-c2ccc(C)c(C)c2)o1 65533748 HUSSKKMFLODUNZ-UHFFFAOYSA-N 341.440 3.745 0 50 EHAA Cc1cccc(-c2c[nH]nc2C2CCN(C[C@@H]3CCOC3)CC2)c1 67694861 RNZKMMRPVHSDSI-INIZCTEOSA-N 325.456 3.601 0 50 EHAA Fc1c(Cl)cccc1CN1CCCC[C@@H]1CCN1CCOCC1 72152851 CRWXRLQFWOOCAZ-MRXNPFEDSA-N 340.870 3.556 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)NCC[C@@H](C)n3ccnc3)c2c1 77298524 BPPZEDIYLNROAA-MRXNPFEDSA-N 336.439 3.738 0 50 EHAA Cc1cccc(CC(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)c1 95525274 DJOLBKOUNAKJAS-GOSISDBHSA-N 325.456 3.721 0 50 EHAA CCS(=O)(=O)c1cccc(NC(=O)c2oc3ccccc3c2C)c1 118248594 JWNWMUAAJKQEKT-UHFFFAOYSA-N 343.404 3.787 0 50 EHAA CC(=O)Nc1cc(NCc2ccc([S@@](C)=O)cc2)ccc1Cl 135528843 UJJLPIHEJSAETF-QFIPXVFZSA-N 336.844 3.648 0 50 EHAA CC(=O)N1CCc2cc(NC(=O)c3ccc4c(c3)CCC=C4)ccc21 170614534 SSJDBIIPTOMTCB-UHFFFAOYSA-N 332.403 3.807 0 50 EHAA CCS[C@H]1CCCCN(C(=O)Nc2ccc([S@](C)=O)cc2)C1 175825823 KYGSEOZHKNGEBP-FPTDNZKUSA-N 340.514 3.564 0 50 EHAA C[C@@H](O)c1ccc(CNC(=O)c2ccc(F)cc2C(F)(F)F)cc1 178521308 QHENZWOXZHCWRU-SNVBAGLBSA-N 341.304 3.828 0 50 EHAA Cc1oc2ccccc2c1C(=O)N1CCO[C@H](c2cccc(O)c2)C1 184675097 PUMMEJGSIDGTAG-SFHVURJKSA-N 337.375 3.661 0 50 EHAA CC(=O)c1ccc(F)cc1NC(=O)C1(c2ccccc2)CCOCC1 184873852 ZHMIZRVKHWARFF-UHFFFAOYSA-N 341.382 3.715 0 50 EHAA Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H](C)c1cccc(O)c1 190668418 JCSDZRFYNWDXCF-GUYCJALGSA-N 326.396 3.585 0 50 EHAA Brc1ccc(CNCc2ccc(Cn3ccnc3)cc2)o1 190753451 OIGSDCSPYGXESY-UHFFFAOYSA-N 346.228 3.577 0 50 EHAA C[C@H](NC(=O)[C@H]1CCCO[C@H]1c1ccccc1)c1nc2ccccc2[nH]1 193742415 MBPRFCFKVIDWOL-QOKNQOGYSA-N 349.434 3.908 0 50 EHAA COc1ccccc1OCCCN(C)C(=O)[C@H]1CCc2ccccc21 215724325 GPNDIWXJFOVFCU-SFHVURJKSA-N 339.435 3.653 0 50 EHAA CCCc1nc(C(=O)N(CCOC)Cc2ccc(C)cc2)cs1 216149251 WFXGFFKNLKVBOH-UHFFFAOYSA-N 332.469 3.693 0 50 EHAA COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 229750107 VDCIAEHFOGAFCF-QEOTZNIISA-N 333.472 3.558 0 50 EHAA OCC[C@@H](NC[C@@H](O)c1cccc(Cl)c1)c1ccc(Cl)cc1 286925508 KVKOQVWBPIFCCI-IAGOWNOFSA-N 340.250 3.740 0 50 EHAA CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@@H]2OCCc3ccccc32)o1 299739022 JPVIKQBTHVOQIC-XHSDSOJGSA-N 328.412 3.650 0 50 EHAA O=C(O)C[C@H]1CCCN(Cc2ccc(Br)cc2F)CC1 299746443 XKGGZKOIBVMMGW-NSHDSACASA-N 344.224 3.665 0 50 EHAA CCc1nc(C)c(C(=O)NCC2(c3ccc(OC)cc3)CCCC2)o1 299758418 PMADEVYFWUSUCM-UHFFFAOYSA-N 342.439 3.796 0 50 EHAA N[C@H]1CCN(C(=O)c2cccc(-c3ccccc3C(F)(F)F)c2)C1 299763328 ZEJMULSSFYOTQD-AWEZNQCLSA-N 334.341 3.546 0 50 EHAA Cc1ocnc1-c1nc([C@H]2C[C@@H](c3ccccc3)N3CCC[C@H]23)no1 299796122 NIJYNSODRYSDSN-XHSDSOJGSA-N 336.395 3.726 0 50 EHAA Cc1c(NC(=O)N[C@@H]2c3ccccc3O[C@H]2C)cnn1-c1ccccc1 377606519 LUVHBZURJGVKRP-LIRRHRJNSA-N 348.406 3.824 0 50 EHAA O=C(NCC[C@H]1CCCN1)c1cccc(-c2cc(Cl)ccc2O)c1 426358881 DJXMPFBADXGVTH-MRXNPFEDSA-N 344.842 3.585 0 50 EHAA COc1cccc(OC)c1-c1ccc(OCCN2CCCC2)cc1 426360007 VFDNUTUOUHWEBI-UHFFFAOYSA-N 327.424 3.845 0 50 EHAA COc1ccc(/C=C/c2nnc([C@H]3CCCN(C)[C@H]3C)o2)cc1F 886096436 HKDRDDCWRFYOMX-VWZQRQAESA-N 331.391 3.585 0 50 EHAA CC(C)c1cc(NC(=O)N2CCn3cccc3C2)n(-c2ccccc2)n1 931483368 AOTHPWZKZYAZIH-UHFFFAOYSA-N 349.438 3.845 0 50 EHAA Cc1nocc1NC(=O)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 931813087 OZPXUQIZWWIBGC-ZDUSSCGKSA-N 348.834 3.992 0 50 EHAA COC[C@H](NC1CCN(c2cccc(C)c2C)CC1)c1ccccn1 1506414572 GDJRJJDTXRKQIO-FQEVSTJZSA-N 339.483 3.645 0 50 EHAA Cc1cc(F)ccc1N1CCC(N2CCC(c3cc[nH]n3)CC2)CC1 1506422220 PRTLLRNTJLVFCJ-UHFFFAOYSA-N 342.462 3.706 0 50 EHAA Cc1cc(CCC(=O)Nc2nccc(C(F)(F)F)c2Cl)on1 1875276019 CTFMJLUERWWDRL-UHFFFAOYSA-N 333.697 3.622 0 50 EHAA CN(Cc1ccc(C(N)=O)cc1)c1nc(Cl)cc2ccccc12 1875336952 LMBFZCNXNYMQSR-UHFFFAOYSA-N 325.799 3.624 0 50 EHAA O[C@H](CN1CC[C@H]2CCCC[C@@H]21)c1ccc(F)c(Br)c1 2325742108 WVLHLNZVRLZIAT-XFBWCDHKSA-N 342.252 3.886 0 50 EHAA CC[C@]1(O)CCC[C@H]2CN(Cc3cc4ccc(C)cc4nc3O)C[C@H]21 2356158350 YMSYIQFWAVVCMS-CDXJDZJCSA-N 340.467 3.622 0 50 EHAA O=C(c1ccccc1)c1cc2c(cc1Br)OCCCO2 134820 AECNFLAZVMSKTC-UHFFFAOYSA-N 333.181 3.841 0 50 EHAA C[C@H]1CN(C(=O)C2CCCCC2)[C@@H](C)CN1C(=O)C1CCCCC1 214543 XBBCGVBLJDTZFW-HOTGVXAUSA-N 334.504 3.595 0 50 EHAA COc1cc(OC)c(NC(=O)[C@H](C)Oc2ccccc2)cc1Cl 362498 HIJKKJYPKXROAC-NSHDSACASA-N 335.787 3.763 0 50 EHAA CCc1ccccc1NC(=O)c1cc(-n2cnnc2)ccc1Cl 528297 USLNCNJEBFNYDD-UHFFFAOYSA-N 326.787 3.735 0 50 EHAA COc1ccc(-c2cc(CN3CCC[C@H](OC)C3)ccn2)cc1F 2356148839 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0 50 EHAA O=C(N[C@H](Cc1cccc2ccccc12)C(=O)O)OCc1ccccc1 2567687 HNYQEAGTPQSPLT-LJQANCHMSA-N 349.386 3.762 0 50 EHAA in-vitro CN(Cc1ccc([S@](C)=O)cc1)C(=O)N[C@H]1C[C@H]1C1CCCCC1 245339134 QSQJWJZPLVPQTN-XFAGBWLFSA-N 348.512 3.534 0 50 EHAA CCc1ccc(-c2noc([C@@H](C)NC(=O)Cc3ccccc3)n2)cc1 472401599 HJXHEMHODKFHSC-CQSZACIVSA-N 335.407 3.719 0 50 EHAA CCc1cccc(CN2CCC(NC(=O)c3ccoc3C)CC2)c1 253420231 GJKRWPLSPPMHBW-UHFFFAOYSA-N 326.440 3.545 0 50 EHAA Cc1csc(C2(NC(=O)CCc3c(C)noc3Cl)CCC2)n1 265332533 STDISNPMAWQGLK-UHFFFAOYSA-N 339.848 3.530 0 50 EHAA O=C(N[C@H](c1cccs1)C1(CO)CCC1)c1cc2ncccc2o1 824480803 CSMYCPJBEGOOMV-MRXNPFEDSA-N 342.420 3.523 0 50 EHAA Cc1nc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)ccc1C(=O)O 263332130 MIQSPSOZJDOFKX-CQSZACIVSA-N 338.407 3.529 0 50 EHAA Cc1ccccc1OCCCn1c([C@H](C)NC=O)nc2ccccc21 4809801 FSRFKWULPQBIJJ-INIZCTEOSA-N 337.423 3.621 0 50 EHAA CCOC(=O)c1c(NC(=O)c2cc(C)on2)sc2c1CCCCC2 9204241 WQFWJDCJKBRUPR-UHFFFAOYSA-N 348.424 3.742 0 50 EHAA 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342.414 3.967 0 50 EHAA C[C@@H]1[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1c1ccccc1 431520194 QIDSZPBIDDNILO-RYGJVYDSSA-N 338.426 3.524 0 50 EHAA Cc1ccc([C@H](C)NC(=O)CSc2cn(C)c3ccccc23)cn1 670462558 KCMWUKBUIXJWRJ-AWEZNQCLSA-N 339.464 3.851 0 50 EHAA C[C@@H](NC(=O)N(C)Cc1ccc2nsnc2c1)C1CCCCC1 825042488 MNUAQEZTIPYFNE-GFCCVEGCSA-N 332.473 3.802 0 50 EHAA CC(C)c1ccc(C(=O)N2CCOc3ccccc3[C@@H]2C)c(O)n1 826761817 AXFVSKVLZXNMNQ-ZDUSSCGKSA-N 326.396 3.506 0 50 EHAA O=C(Nc1cc(O)c(F)cc1F)c1ccc(N2CCCCCC2)nc1 909973738 AQJAYQOODZMXGR-UHFFFAOYSA-N 347.365 3.698 0 50 EHAA CC(C)(C)OC(=O)[C@H](c1nc(Cc2cccnc2)no1)C1CCCC1 952882789 JQJVWSNVTZXKQJ-INIZCTEOSA-N 343.427 3.671 0 50 EHAA c1ccc(-c2noc(NC3CCN(Cc4cccs4)CC3)n2)cc1 952979738 ZNADATDXAUYLQJ-UHFFFAOYSA-N 340.452 3.875 0 50 EHAA O=C(N[C@H]1CCCC[C@@H]1c1ccccc1)c1cc(-c2ccccn2)[nH]n1 1565513333 MWHRVALEZZTWOK-SJORKVTESA-N 346.434 3.928 0 50 EHAA Cc1ccc(C2(C(=O)N3CCC(c4ccnc(O)c4)CC3)CC2)cc1 1772810911 PHHVTPBYFRTETR-UHFFFAOYSA-N 336.435 3.533 0 50 EHAA 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329.469 3.598 0 50 EHAA Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)[C@H](C)Oc1cccnc1 153258851 UVGHKUUKDXXNCP-KGLIPLIRSA-N 347.484 3.957 0 50 EHAA CN(Cc1ccc2c(c1)CN(C)C2)Cc1cc2c(cc1Cl)OCO2 215999850 QZSXJUPVYKVJLP-UHFFFAOYSA-N 344.842 3.646 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 129382613 NSZBQCWXLJGQHH-LBPRGKRZSA-N 345.403 3.736 0 50 EHAA CCN(CC)C(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 71888610 WFSFAZSWTWDLSY-GOSISDBHSA-N 340.423 3.523 0 50 EHAA CC(C)c1oc([C@@H]2CCCN2C(=O)C[C@H](C)N)nc1-c1ccccc1 261887112 SNROWYIXHAYFQT-HOCLYGCPSA-N 341.455 3.866 0 50 EHAA CCCc1cc(C(=O)N[C@@H](c2ccncc2)c2ccccc2C)n(C)n1 82161777 JMUGIJZWUZDCCQ-FQEVSTJZSA-N 348.450 3.595 0 50 EHAA CCCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1 17071505 JPEOHBUYMIHCMC-UHFFFAOYSA-N 342.351 3.626 0 50 EHAA O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CCc2cnccc21 161678211 VDQRPRGOWLCHRI-UHFFFAOYSA-N 343.358 3.686 0 50 EHAA CCN(Cc1cc(C2CCCCC2)no1)C[C@@H](O)c1cccc(O)c1 244874362 WZZHOMVARVEKAU-HXUWFJFHSA-N 344.455 3.983 0 50 EHAA C=CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 27998669 RFQNLMWUIJJEQF-UHFFFAOYSA-N 334.463 3.913 0 50 EHAA biogenic,in-vitro CN1[C@H]2CC[C@@H]1Cc1nc(N)c(C#N)c(-c3cc4ccccc4o3)c12 71297250 RRGCXMHALXNJSD-DOMZBBRYSA-N 330.391 3.640 0 50 EHAA COc1ccccc1[C@@H](CNC1Cc2ccccc2C1)N1CCCC1 1875262476 YOPWEKGOIDOJLK-OAQYLSRUSA-N 336.479 3.589 0 50 EHAA C[C@@H]1CCN(C(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)C1 1875272845 AYWCFTADWFIJBF-SECBINFHSA-N 340.301 3.686 0 50 EHAA COC(=O)c1nccc(Oc2ccc(-c3csc(C)n3)cc2F)n1 1875317296 UIGPHNKUUQJQTJ-UHFFFAOYSA-N 345.355 3.627 0 50 EHAA Cc1cccc(F)c1NC(=O)NCC1CCN(c2ccncc2)CC1 274180509 XWYMAQCYCGDECN-UHFFFAOYSA-N 342.418 3.567 0 50 EHAA COc1ccc(-c2ccncc2)cc1CN1CCC[C@H]1c1cnn(C)c1 186935331 BBQXTFYOVDVWJD-FQEVSTJZSA-N 348.450 3.828 0 50 EHAA c1cncc(Oc2cccc(OCc3nnc4n3CCCCC4)c2)c1 278597584 HPWBGXSKTIRGCM-UHFFFAOYSA-N 336.395 3.771 0 50 EHAA COc1cnccc1[C@H](C)NC(=O)N(Cc1cccc(F)c1)C1CC1 187472897 ZSMKAURBCXDPNW-ZDUSSCGKSA-N 343.402 3.665 0 50 EHAA 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O=C(N=c1cc(-c2cccc(F)c2)o[nH]1)N1C[C@H]2CCCC[C@H]2C1 408451940 LHZFWVDUWOVHDM-OKILXGFUSA-N 329.375 3.557 0 50 EHAA CCC1=C(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CCCO1 408514436 ACYQQAYPHJZKEF-LPHOPBHVSA-N 347.430 3.979 0 50 EHAA Cc1c(CN2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)[nH]c2ccccc12 253591336 PZXUYAPFUGTBIQ-NQIIRXRSSA-N 338.426 3.966 0 50 EHAA O=C(O[C@@H](c1ccccc1)c1ccncc1)c1ccnc2ccncc12 810555786 OTTRTFOOYXZOFL-FQEVSTJZSA-N 341.370 3.971 0 50 EHAA CC[C@@H]1C[C@H]1CNC(=O)N1CCC[C@H](c2cncn2C(C)(C)C)C1 1263109076 NYGCBBUQULKJJT-PMPSAXMXSA-N 332.492 3.573 0 50 EHAA Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(C)c(C)cn4)C3)[nH]c2c1 935034411 LOQNFJWNAKJHHW-MRXNPFEDSA-N 348.450 3.903 0 50 EHAA CCOC(=O)C[C@@H](NC(=O)Cc1ccccc1)c1ccccc1Cl 3627298 BMFSZGZNTNPNRZ-QGZVFWFLSA-N 345.826 3.693 0 50 EHAA COc1cc(OC)cc(-c2nnc(S)n2-c2ccccc2C)c1 4357938 MTROLAYOUGPEHA-UHFFFAOYSA-N 327.409 3.549 0 50 EHAA O=C(Nc1ccc([C@@H](F)C(F)(F)F)cc1)N[C@@H]1C[C@H]2CC[C@@H]1O2 881156628 AOYHYJKOYYIOIR-FVCCEPFGSA-N 332.297 3.701 0 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3.598 0 50 EHAA COc1ccc(-c2noc(CN(C(=O)CC(C)(C)C)C(C)C)n2)cc1 4838890 WUZCVFVYMTUZFM-UHFFFAOYSA-N 345.443 3.918 0 50 EHAA Cc1ccnc(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)n1 10230943 PQGSWFGWKOCXKP-SECBINFHSA-N 325.796 3.697 0 50 EHAA Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cs1 16604272 YQQYDZQHUVZHRU-UHFFFAOYSA-N 334.872 3.668 0 50 EHAA Clc1cccc(-n2cc(CN3CCC[C@H](N4CCCC4)C3)cn2)c1 20272548 WYISYACMYIEPDV-IBGZPJMESA-N 344.890 3.586 0 50 EHAA c1ccc2c(-c3nn4c(CN5CCCCC5)nnc4s3)cccc2c1 39389219 SPBFYEMJZKYEOL-UHFFFAOYSA-N 349.463 3.992 0 50 EHAA Cc1ccc(NC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 55087916 PPLZYUFXKXIMSK-VMPITWQZSA-N 335.451 3.858 0 50 EHAA Cc1cccc(OC(C)(C)C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c1C 67790479 WJOSNCJUNFBFPJ-MRXNPFEDSA-N 341.455 3.590 0 50 EHAA CC(C)Cc1ncc2c(n1)CN(C(=O)Cc1cccc3ccccc13)C2 67790494 ISLPVYNYWHMLDU-UHFFFAOYSA-N 345.446 3.913 0 50 EHAA CC(C)c1nc(CN(C)C(=O)c2cc(O)c3ccccc3n2)cs1 67868691 PZQKMOPHHHVCRD-UHFFFAOYSA-N 341.436 3.793 0 50 EHAA CCCCc1nc(-c2nccn2[C@H](C)c2nc(CC)no2)c(Cl)[nH]1 71753316 KWWHJXINACSBKU-SNVBAGLBSA-N 348.838 3.824 0 50 EHAA CC(=O)C1(c2ccccc2)CCN(Cc2cccc3nccnc23)CC1 72146483 CCLMHEGGUNZMRV-UHFFFAOYSA-N 345.446 3.753 0 50 EHAA CC[C@@H](Nc1cc(-c2ccccc2)nc2ccnn12)c1ncnn1CC 72151895 XLPXBJFSZIXXSU-OAHLLOKOSA-N 347.426 3.571 0 50 EHAA OCCOc1cccc(CN2CCCC[C@H]2c2cccc(F)c2)c1 72475840 TXIDMQIGVMTBCL-FQEVSTJZSA-N 329.415 3.924 0 50 EHAA CCCc1ccc2oc(C(=O)N(C)C[C@H]3CCCN3C)c(C)c2c1 77406672 ASEOTUPLAFLAHL-MRXNPFEDSA-N 328.456 3.860 0 50 EHAA Clc1ncnc2c1c(I)cn2C1CCCC1 78824300 SZBOWPMFRHBAES-UHFFFAOYSA-N 347.587 3.804 0 50 EHAA CC(C)c1noc([C@H]2CCCN2C(=O)c2ccc3ncsc3c2)n1 82137357 JPKWEUGKYZGRBG-CYBMUJFWSA-N 342.424 3.780 0 50 EHAA O=C(O)c1cccc([C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)c1 95360980 AXTSTQCDROVGKR-GOSISDBHSA-N 348.402 3.886 0 50 EHAA C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc3ccccn3c2)CC1 116066060 WQDNFZYLXNASHD-KRWDZBQOSA-N 347.462 3.895 0 50 EHAA CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 127544647 WVPMWODPKGAPPX-MIPVDYNUSA-N 325.440 3.777 0 50 EHAA O=C(Nc1cccnc1-c1ccccc1)N1CCC(n2ccnc2)CC1 157077448 YPYGHIYZRHYRCF-UHFFFAOYSA-N 347.422 3.814 0 50 EHAA Cc1ccc2c(O)c(C(=O)N3CCC[C@@H](C(C)(C)C)CC3)cnc2n1 170629341 PVENYKJZXYKLRA-CQSZACIVSA-N 341.455 3.932 0 50 EHAA CCO[C@@H]1C[C@H](NC(=O)C2CCC(n3cccc3)CC2)C12CCC2 170638853 NBKSVVBLRAPAGW-ZGUYJTEBSA-N 330.472 3.683 0 50 EHAA O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1CSc2ccccc21 172372932 GUHKUTHVQFDLGV-CQSZACIVSA-N 337.448 3.501 0 50 EHAA CNC[C@H]1CCN(C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)C1 179008169 IUQCCAZNADVMQW-CYBMUJFWSA-N 332.444 3.544 0 50 EHAA CCC(CC)n1nc(C(=O)Nc2nnc(C(F)F)s2)cc1C 183273997 WEQYASOOEPJWLE-UHFFFAOYSA-N 329.376 3.594 0 50 EHAA Cc1nn(C)c2sc(C(=O)Nc3cnn(C4CCCC4)c3C)cc12 192726257 BGKWGSOBCQIDDY-UHFFFAOYSA-N 343.456 3.816 0 50 EHAA Cc1c(NC(=O)Nc2ccc3c(c2)COC3)cnn1C1CCCC1 193731856 HZQVDFUQNCMOIZ-UHFFFAOYSA-N 326.400 3.981 0 50 EHAA C[C@@H]1[C@@H](NC[C@@H](O)COCc2ccccc2Cl)CCC[C@H]1C 239302815 FOYBDPMGKFULCJ-KKBFJZEXSA-N 325.880 3.632 0 50 EHAA O=C(Nc1cc(F)c(Br)cc1Cl)c1cccnc1 239527666 ATSLWZKRCSFNFS-UHFFFAOYSA-N 329.556 3.889 0 50 EHAA Cc1nnc(CN2CCC[C@@H](COc3ccccc3Cl)C2)s1 253418438 MYNRLBMIIMKNLG-CYBMUJFWSA-N 337.876 3.791 0 50 EHAA Clc1cc2c(c(CN3CCC[C@H]3c3cccnc3)c1)OCOC2 253419788 IWDTZYGGJAAMDI-KRWDZBQOSA-N 330.815 3.939 0 50 EHAA CN(CCN)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 253501610 NDAWUPLIPPNPGL-ZIINTYDKSA-N 348.575 3.649 0 50 EHAA CCc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C2)n1 257365464 YJGMRJHZHJROIN-HYVNUMGLSA-N 341.480 3.610 0 50 EHAA Cc1cc(NC(=O)NC2CC(F)(F)C2)cnc1N1CCCC[C@@H]1C 277099445 OZBQATMWRWAZCY-LBPRGKRZSA-N 338.402 3.688 0 50 EHAA Cc1nc2ccc(NC(=O)N(C)Cc3c(C)noc3C)cc2nc1C 299789771 ADKXNMPLIZJNDR-UHFFFAOYSA-N 339.399 3.515 0 50 EHAA CC(C)c1noc([C@H](N[C@@H](C)CCc2ccco2)C2CCOCC2)n1 328622291 IKEZLZRVAKRJIB-WMLDXEAASA-N 347.459 3.865 0 50 EHAA CCn1cc([C@H]2OCCC[C@@H]2NCc2cnc(C3CCC3)s2)cn1 328642165 QWXIOTHEMHDRCO-DLBZAZTESA-N 346.500 3.637 0 50 EHAA Cc1nc(-c2ccc(C(=O)N3CC[C@H](O)CC34CCC4)cc2)cs1 333658104 ATQGISLUHITISI-INIZCTEOSA-N 342.464 3.638 0 50 EHAA Cc1cc(C)c2cc(C(=O)N3CCC[C@@H]3c3cn(C)nc3C)[nH]c2c1 375848255 KESXNJURYAHAKB-LJQANCHMSA-N 336.439 3.804 0 50 EHAA C[C@@H](c1cccc(Cl)c1)N(C)Cc1nc(-c2ccccn2)no1 377434060 VOTOIYFRALOLJP-LBPRGKRZSA-N 328.803 3.978 0 50 EHAA Cc1cc([C@@H]2CCCN2C(=O)/C=C/c2nc3ccccc3s2)on1 491187019 RBVDBRWRBUJHTM-VFNNOXKTSA-N 339.420 3.970 0 50 EHAA Cc1ccc2nc(CCCNC(=O)N(C)Cc3ccoc3)[nH]c2c1C 534659717 MTTXKSVGNAEGPN-UHFFFAOYSA-N 340.427 3.547 0 50 EHAA Cc1nc([C@@H]2CCCN2c2cnc3cc(Cl)ccc3n2)[nH]c1C 895195993 HEPYRKGJZNEDRB-HNNXBMFYSA-N 327.819 3.965 0 50 EHAA Cc1nc2ccccn2c1CNCc1ccc2c(c1)COC(C)(C)O2 898273771 FTTDHJLJIMCEJK-UHFFFAOYSA-N 337.423 3.578 0 50 EHAA Cc1cc(C)cc(C2CCN(C(=O)c3nc(C4CC4)no3)CC2)c1 903044630 CAWYNAUVXZCDLB-UHFFFAOYSA-N 325.412 3.584 0 50 EHAA CO[C@@H](CNC(=O)Nc1cnn(C2CCCC2)c1)c1ccccc1 914003888 VCKSJUGNYJQPQN-KRWDZBQOSA-N 328.416 3.507 0 50 EHAA Cc1cc(C)n(CCCC(=O)N2CCCC[C@H]2c2ccc(C)o2)n1 933451379 YLTBHIJNXFEPGN-KRWDZBQOSA-N 329.444 3.935 0 50 EHAA CCSc1ccccc1NC(=O)[C@@H]1CCCN(C2CCOCC2)C1 952869974 RTCXGUWAYTZPBM-OAHLLOKOSA-N 348.512 3.628 0 50 EHAA Cn1cc(CNc2ccc3nc(C(C)(C)C)sc3c2)c(C(=O)O)n1 1331933158 YFIFPWVKILQJGX-UHFFFAOYSA-N 344.440 3.638 0 50 EHAA CC(C)(C)Oc1cccc(CN2CCCC[C@@H]([C@H]3CCOC3)C2)n1 1460919764 BSUCZPGMVOFDBI-SJORKVTESA-N 332.488 3.898 0 50 EHAA Cc1cc(CN2CCC3(CC2)OCCc2c3[nH]c3ccccc23)on1 1704299356 JPYZLTRCZOOGJC-UHFFFAOYSA-N 337.423 3.528 0 50 EHAA C[C@@]12C[C@H]1CN(C(=O)c1cc(-c3cccnc3)nc3ccccc13)C2 1772806068 YNIXPHKGKKTNFI-BTYIYWSLSA-N 329.403 3.779 0 50 EHAA CCCc1n[nH]cc1C(=O)NCc1ccc(-c2scnc2C)cc1 1775985802 RPZGIQLLGYPIQO-UHFFFAOYSA-N 340.452 3.724 0 50 EHAA O=C(c1ccc(Cl)o1)N1CCC(CC2(C(F)(F)F)N=N2)CC1 1875313653 VVPDHLMTWWQZPZ-UHFFFAOYSA-N 335.713 3.900 0 50 EHAA CCOc1cccc(-c2cnc(NC(=O)[C@H](C)CC3CC3)nc2)c1 1875324199 LUKAOFKBNSRUAK-CYBMUJFWSA-N 325.412 3.917 0 50 EHAA Cn1c(-c2cccc(OC[C@@H]3C[N@]3CC3CC3)c2)nc2ccccc21 1875385277 PVUPUQLIKHUSJH-XDHUDOTRSA-N 333.435 3.713 0 50 EHAA O=C(Nc1ncc(-c2ccc(F)cc2)[nH]1)c1cc(O)nc2ccccc12 2100543177 NYMOZTWOYCJECU-UHFFFAOYSA-N 348.337 3.722 0 50 EHAA c1cn(CCCSc2nn3cc(C4CCCC4)nc3s2)cn1 2325761330 WNKQOOFFNAUJJE-UHFFFAOYSA-N 333.486 3.827 0 50 EHAA CC[C@@H]1CCc2c(sc(NC(=O)c3ccoc3C)c2C(N)=O)C1 135611 YAVQVNLTYPRFDP-SNVBAGLBSA-N 332.425 3.516 0 50 EHAA COc1ccc(-c2n[nH]cc2-c2cnn(-c3ccccc3)c2)c(O)c1C 458873 JKMSKMGSBVNHNW-UHFFFAOYSA-N 346.390 3.952 0 50 EHAA CCOc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3nc(N)nc3N2)cc1 4204315 MIAKQYHWLJJVKX-ZWKOTPCHSA-N 349.438 3.714 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5228784 UUPIPRLEJNRKGW-SMPVXYKMSA-N 332.484 3.774 0 50 EHAA Cc1nn([C@@H](C)CC(=O)Nc2ccccc2)c(C)c1Br 6729985 DSSMQWQSLQYRTO-JTQLQIEISA-N 336.233 3.852 0 50 EHAA CCCC(=O)Nc1ccc(NC(=O)Cc2ccc(OC)cc2)cc1 12404149 DFNNCXDBWHXNDM-UHFFFAOYSA-N 326.396 3.615 0 50 EHAA COc1cc(NC(=O)c2ccc(Cl)s2)cc(OC)c1OC 13326307 SSEYGVVTDGQENQ-UHFFFAOYSA-N 327.789 3.680 0 50 EHAA Cc1nn(-c2ccc(NC(=O)c3ccccn3)cc2)c(C)c1Cl 16527339 NIWTZNOTJLUJKT-UHFFFAOYSA-N 326.787 3.790 0 50 EHAA Cc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cs1 16580585 HIQBTDBAYRICMV-UHFFFAOYSA-N 334.872 3.668 0 50 EHAA c1ccc(N2CCN([C@H]3CCCN(C4CCCCC4)C3)CC2)cc1 19743231 YVCBPWXTVRNUHL-NRFANRHFSA-N 327.516 3.606 0 50 EHAA Cc1cccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 20408273 MMPRERRXDROFNS-UHFFFAOYSA-N 343.858 3.998 0 50 EHAA Fc1ccc(F)c(CN[C@H]2CCCN(C3Cc4ccccc4C3)C2)c1 20783653 KBFBIOPKBPODKV-IBGZPJMESA-N 342.433 3.686 0 50 EHAA CN(C(=O)CCn1cnc2ccccc21)[C@H]1CCCc2ccccc21 29258430 VDLUQPWPGCECAE-IBGZPJMESA-N 333.435 3.962 0 50 EHAA COc1cccc(-c2nc3ccccc3n2C)c1OCCCN(C)C 63848179 AXJDVYJFKYJMNX-UHFFFAOYSA-N 339.439 3.579 0 50 EHAA Cc1nc(CNC(=O)Nc2nc(-c3ccccc3)ns2)sc1C 63871501 MUDHESTVSBFBAP-UHFFFAOYSA-N 345.453 3.600 0 50 EHAA CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C2Cc3ccccc3C2)c1 65372454 DFVZGZUCXBJSBX-UHFFFAOYSA-N 342.826 3.538 0 50 EHAA c1cn(CCCn2ccnc2-c2ccc([C@H]3CCCCO3)o2)cn1 67740202 FSTTZGPBSRKDOA-OAHLLOKOSA-N 326.400 3.672 0 50 EHAA CC(C)CN1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 67842552 DRAJDHVANKNHPC-UHFFFAOYSA-N 332.831 3.958 0 50 EHAA CCc1cc(CN(C)c2cc(-c3ccccc3)nc3ccnn23)on1 72164851 ZUJZMGFTQYNSGU-UHFFFAOYSA-N 333.395 3.583 0 50 EHAA CN(Cc1csc(-c2cccs2)n1)C(=O)[C@]1(C)CCCCO1 72436050 NWSDVHPSJXEOAF-INIZCTEOSA-N 336.482 3.789 0 50 EHAA O=C(c1cccc(-n2cccn2)c1)N1CC[C@@H](Cc2ccccc2)C1 76506635 RBZYBGGNIYHSDH-SFHVURJKSA-N 331.419 3.577 0 50 EHAA CCCc1cc(C(=O)N(C)[C@H](C)c2cc(-c3ccccc3)[nH]n2)no1 77337484 KMKMOBAHJFEOPL-CYBMUJFWSA-N 338.411 3.850 0 50 EHAA COc1cccc(OC[C@@H]2CCCN(C(=O)c3ccoc3C)C2)c1 77406902 CJDQBIUFGVBRFX-OAHLLOKOSA-N 329.396 3.528 0 50 EHAA COc1ccccc1-c1ncc(CN2CCCC[C@H](N(C)C)C2)s1 82098556 CCFDUASRQHXODH-HNNXBMFYSA-N 345.512 3.735 0 50 EHAA O=C(NCCSc1ccccn1)c1csc(-c2cccs2)n1 82156111 STDJJOMUCOVECF-UHFFFAOYSA-N 347.490 3.789 0 50 EHAA C[C@H](NC(=O)c1sc2cccc(F)c2c1Cl)c1ccncn1 91452299 NCNNAQBGGWBDHU-QMMMGPOBSA-N 335.791 3.975 0 50 EHAA CCc1nc(CN2CCC[C@H](c3cccc(C(=O)O)c3)C2)cs1 95356543 GBKLHBKWCNANTN-HNNXBMFYSA-N 330.453 3.783 0 50 EHAA CCc1nc2c(s1)[C@H](N(C)C(=O)CSc1ccncc1)CCC2 119004962 LUVHKBYSBUJPLF-CQSZACIVSA-N 347.509 3.729 0 50 EHAA C[C@@H]1CCN(C(=O)Nc2ccccc2SCCC(N)=O)C[C@H](C)C1 121337391 NHPFLZSZTXUSCL-ZIAGYGMSSA-N 349.500 3.554 0 50 EHAA Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H](C)c2c(C)n[nH]c2C)C1 131886823 FWEPRYBNNKMVIM-GRDNDAEWSA-N 325.456 3.843 0 50 EHAA Cc1cccc(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 157341800 ACERPSHEVMLVIL-OAHLLOKOSA-N 338.386 3.963 0 50 EHAA CCO[C@H]1C[C@H](N(C)C(=O)c2n[nH]c3ccc(C)cc23)C12CCCC2 170637065 VRTGBDUSJVYWJR-IRXDYDNUSA-N 341.455 3.681 0 50 EHAA O=C(Cc1cccc(Br)c1)Nc1ncccc1Cl 179983399 PGNHKNZHAPHDTF-UHFFFAOYSA-N 325.593 3.679 0 50 EHAA COc1ccc(-c2ccncc2)cc1CN[C@@H]1c2ccccc2C[C@@H]1O 187159837 KFFRPRKNIYBHAT-RBBKRZOGSA-N 346.430 3.505 0 50 EHAA CC(C)c1c(NC(=O)NCc2ccccn2)cnn1-c1ccccc1 192338926 VAJCFIBDRCBBBF-UHFFFAOYSA-N 335.411 3.712 0 50 EHAA C[C@@H](NCc1cccnc1Oc1cccc(F)c1)c1ccnn1C 192666159 JRSVXEMKFNOKGE-CYBMUJFWSA-N 326.375 3.597 0 50 EHAA Cc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccccc2)n1 215133812 IMUKHHWRGRZKRA-UHFFFAOYSA-N 335.382 3.564 0 50 EHAA CCc1nc(C)sc1C(=O)N[C@H](c1ccccc1)c1ccncc1 215326538 HSECKKUEVWKJGI-QGZVFWFLSA-N 337.448 3.928 0 50 EHAA CCCNc1ncc(CN2CCC(c3ccccc3OC)CC2)cn1 215327278 CGBVBTOQAJMMTA-UHFFFAOYSA-N 340.471 3.687 0 50 EHAA CCCc1ncncc1C(=O)N(C)CCCOc1ccc(Cl)cc1 215623970 JLJOXJRSZIIHFQ-UHFFFAOYSA-N 347.846 3.624 0 50 EHAA Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N(C)[C@H](C)C1CCCCC1 225758266 QZIVUSPOMRVWCK-UKRRQHHQSA-N 334.508 3.578 0 50 EHAA C[C@H]1CCc2c(sc3nc(CN4CCCC[C@H]4C)nc(O)c23)C1 241564234 OSNBDBFUZXGDLE-NWDGAFQWSA-N 331.485 3.896 0 50 EHAA O=C(CC1c2ccccc2CCc2ccccc21)N[C@H]1CC[C@H](O)CC1 244734442 NFPKCXAAWCJRDN-WGSAOQKQSA-N 349.474 3.727 0 50 EHAA O=C(Nc1ccccc1OC(F)F)N1CCOC[C@@H]1c1ccccc1 253427174 LMXWCXAACSDTIT-OAHLLOKOSA-N 348.349 3.893 0 50 EHAA CC(C)c1cccc(S(=O)(=O)Nc2cc(-c3cccnc3)on2)c1 253430004 JILWXWGIHKZMHM-UHFFFAOYSA-N 343.408 3.661 0 50 EHAA CN(C)c1cccc(-c2cccc(C(=O)NCC[C@H]3CCOC3)c2)c1 299791565 FMVHAHAMWYFKLT-INIZCTEOSA-N 338.451 3.576 0 50 EHAA Cn1c([C@H]2CCCN2Cc2ccncc2Cl)nc2c1CCCC2 328625667 DKCYIQYIXXMBIL-QGZVFWFLSA-N 330.863 3.684 0 50 EHAA O=C(NCCc1ccccn1)N1CCC[C@H](c2ccc(Cl)cc2)C1 426372530 VQUXZVLBCJTKNK-INIZCTEOSA-N 343.858 3.867 0 50 EHAA COc1ccc2cc([C@@H](C)NC(=O)N3CCC(OC)CC3)ccc2c1 426546056 CVTVAPZTKKBLAO-CQSZACIVSA-N 342.439 3.730 0 50 EHAA O=S(=O)(C1CCCCC1)N1CC(c2cccc(C(F)(F)F)c2)C1 451979178 BAWRFSCDWHECAQ-UHFFFAOYSA-N 347.402 3.767 0 50 EHAA FC(F)(F)c1cccnc1CN1CCC([C@@H]2CCCCO2)CC1 661865327 GGWPEHWWWAESLC-INIZCTEOSA-N 328.378 3.882 0 50 EHAA CC1(C)C[C@]1(NCc1nc(O)c2sccc2n1)c1ccccc1 662343130 IIJTYDYBCJYFIT-SFHVURJKSA-N 325.437 3.812 0 50 EHAA Cn1ncc(C(=O)N2CCCc3ccc(F)c(Cl)c32)c1C(F)F 863947267 JOWLHHGHSJFCPS-UHFFFAOYSA-N 343.736 3.743 0 50 EHAA CC1(C)CN(C(=O)OCCCF)[C@@H]1c1nccn1-c1cccc(F)c1 952894754 QLURAHSEOXSVNQ-OAHLLOKOSA-N 349.381 3.891 0 50 EHAA CCCc1nc(C(=O)Nc2cccc(N3C(=O)CC[C@H]3C)c2)cs1 952977383 AWPUQCXZKPZMSR-GFCCVEGCSA-N 343.452 3.863 0 50 EHAA COc1ccc(C)cc1CC(=O)N[C@H]1CCCc2cnn(C(C)C)c21 1320373275 SLKHTDXRKLXNOW-KRWDZBQOSA-N 341.455 3.517 0 50 EHAA Cc1ccc(CCC(=O)N(C)[C@@H]2C[C@@H]3C[C@H](N(C)C)C[C@@H]3C2)c(C)c1 1529196587 BYNGZTWOGYUREO-FXELSEDVSA-N 342.527 3.813 0 50 EHAA O[C@]1(c2ccccc2)CCC[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]21 1704299788 UBPJOYLZLORWMQ-NRJQMVOHSA-N 345.446 3.754 0 50 EHAA Cc1cc(N2CCN(c3ccc(F)cn3)[C@H](C)C2)nc2ccccc12 1857680856 WWBPPBXBZSPDOQ-OAHLLOKOSA-N 336.414 3.792 0 50 EHAA CCCn1nc([C@@H](C)O)nc1CCCc1nc2ccccc2s1 1857680977 UANWWVBJRSKCCA-GFCCVEGCSA-N 330.457 3.526 0 50 EHAA c1ccc(Sc2ccc(CN[C@@H]3CCC[C@@H]3n3ccnc3)o2)nc1 1875293384 NXQFMPOVYCJYRU-CVEARBPZSA-N 340.452 3.906 0 50 EHAA COC(=O)c1ccc(/C=C/c2cccc3sc(C(=O)O)cc23)nc1 1875388860 SRQNMCVKOLEZOD-FNORWQNLSA-N 339.372 3.952 0 50 EHAA COc1cc2c(cc1OC)C(=Cc1ccc(Cl)cc1)C(=O)OC2 2049443801 DFBIMCVZDSDHHE-UHFFFAOYSA-N 330.767 3.955 0 50 EHAA Cn1cc([C@H](N[C@@H]2CCCc3ncccc32)c2cccc(F)c2)cn1 2325773957 HWGLNHWHKYFRFE-WOJBJXKFSA-N 336.414 3.711 0 50 EHAA Cc1cc(Cl)cc(C)c1OCC(=O)OCc1ccc2n[nH]cc2c1 2325855213 MRFZOAHRKVOOCW-UHFFFAOYSA-N 344.798 3.955 0 50 EHAA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2Cl)NC(=O)N1C 124182 WCWVXPGDIKVTPC-OAHLLOKOSA-N 336.819 3.509 0 50 EHAA COc1ccc(NC(=S)NCc2ccccc2Cl)c(OC)c1 305824 GERPWQVNLLHBOO-UHFFFAOYSA-N 336.844 3.844 0 50 EHAA COc1ccccc1NC(=O)Nc1nnc(-c2ccccc2)s1 451937 OQYYAKRJTFSIRC-UHFFFAOYSA-N 326.381 3.858 0 50 EHAA O=C(NCCOc1ccccc1F)c1ccc(F)c2ccccc12 2870218 MVPRPXOQGJUIND-UHFFFAOYSA-N 327.330 3.927 0 50 EHAA CCOCCc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 2879557 ZEWGHBRSBWBTOA-UHFFFAOYSA-N 346.239 3.676 0 50 EHAA CC(C)(C)c1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 4858374 SAFHGEGSICKKKW-UHFFFAOYSA-N 335.407 3.964 0 50 EHAA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(F)c1 4868266 AADQHCQYGRYTDI-UHFFFAOYSA-N 339.370 3.927 0 50 EHAA COc1ccc(Cl)cc1-n1c(S)nnc1Cc1cccs1 5529818 TYGZIGLVSUNTAS-UHFFFAOYSA-N 337.857 3.870 0 50 EHAA CCCC(=O)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O 9010408 NJUYSSZRIMLZLL-UHFFFAOYSA-N 338.407 3.758 0 50 EHAA O=C(CC1=CCCCC1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 11664886 KWOIKXHVOVAIPT-UHFFFAOYSA-N 339.414 3.991 0 50 EHAA COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 16602251 VJCMAIYXKSQANA-UHFFFAOYSA-N 338.407 3.574 0 50 EHAA Cn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 20604042 OYGBUDHDRZHZMS-UHFFFAOYSA-N 337.326 3.677 0 50 EHAA CCN(Cc1noc(C)n1)C(=O)c1cc(C)nc2c(C)c(C)ccc12 20996833 GDTILBJABJEKQF-UHFFFAOYSA-N 338.411 3.514 0 50 EHAA c1ccc(-n2nc(C3CC3)nc2[C@@H](Cc2c[nH]cn2)n2cccc2)cc1 67868376 STMIDLWCECAFLO-GOSISDBHSA-N 344.422 3.501 0 50 EHAA COc1ccc(-c2nc(Cn3ncc4cccnc43)c(C)o2)c(F)c1 67907932 ASDFFIHFPFKCPT-UHFFFAOYSA-N 338.342 3.591 0 50 EHAA OCc1ccc(-c2nccn2-c2ccccc2CN2CCCCC2)o1 71745521 LYLBQYGVPCNNGY-UHFFFAOYSA-N 337.423 3.611 0 50 EHAA O=C(O)C1Oc2ccc(Cl)cc2Cc2cc(Cl)ccc2O1 71767455 NRFDKEMIVBHNIH-UHFFFAOYSA-N 325.147 3.766 0 50 EHAA Cc1cc2nc(-c3ccccc3)cc(N[C@@H](C)c3cnn(C)c3)n2n1 72407952 YFMLVIAMYHIQTK-AWEZNQCLSA-N 332.411 3.611 0 50 EHAA c1cc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccc4[nH]ccc4c2)C3)ccn1 91526777 WBXQNZZHAPGYFA-PZJWPPBQSA-N 346.478 3.659 0 50 EHAA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2ccc(Cl)c(Cl)c2)C1 100503823 XQEGOSKIIOZULV-KBPBESRZSA-N 349.261 3.774 0 50 EHAA biogenic CC1=C(C)C[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2C1 101104234 KXCHBLHOXKENCH-ZIAGYGMSSA-N 334.213 3.685 0 50 EHAA Cc1ccc(NC(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)cc1C(N)=O 115766712 YSVFOPVMOQNRGS-ZBFHGGJFSA-N 337.423 3.504 0 50 EHAA Cc1ccc2nc(C3CC3)cc(C(=O)NCC[C@H]3CCCNC3)c2c1 152808936 PLJHSHUNHZHDIA-OAHLLOKOSA-N 337.467 3.540 0 50 EHAA Cc1nc(-c2ncccn2)sc1C(=O)N(C)CCC1CCCCC1 170634534 OCHIISBSTWNWCC-UHFFFAOYSA-N 344.484 3.951 0 50 EHAA c1ccc(-c2nc(CN3CCN(CCC4CC4)CC3)cs2)cc1 170645355 UZFVPTRNNMAZGM-UHFFFAOYSA-N 327.497 3.728 0 50 EHAA CC(C)(NC(=O)c1cc(C2CC2)[nH]c(=O)c1)c1cccc(Cl)c1F 187351282 HCGUYTYVWWPOAF-UHFFFAOYSA-N 348.805 3.710 0 50 EHAA Cc1ccc(-c2ncccc2NC(=O)N[C@H]2CCCOCC2)s1 189462124 KEKHEQNUPIAQQY-ZDUSSCGKSA-N 331.441 3.809 0 50 EHAA CCNc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccncc1OC 191449175 ZTYUNLIWJRHIQI-LLVKDONJSA-N 333.819 3.666 0 50 EHAA COc1cccc(CC(=O)N[C@H](CC(C)(C)C)c2cccnc2)c1 220447242 VPRLEZFOKKTXPK-GOSISDBHSA-N 326.440 3.926 0 50 EHAA CSCc1ccc(C(=O)N(C)Cc2c[nH]nc2-c2ccccc2)o1 222932833 FYQCBMKNKLTOKS-UHFFFAOYSA-N 341.436 3.805 0 50 EHAA Cc1c(C(=O)N[C@@H]2c3cccc(F)c3O[C@@H]2C)cnn1C1CCCC1 239352055 AAXZLNPAYLSYOF-PXAZEXFGSA-N 343.402 3.698 0 50 EHAA CN1CCC2(CC1)CCN(C(=O)c1ccccc1-c1ccccc1)C2 252480461 CAPFDNDWQQSAMD-UHFFFAOYSA-N 334.463 3.912 0 50 EHAA CC(C)[C@@H]1C[C@H](CC(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)CCO1 272826454 WYTGACTUVBMAJL-HNJRGHQBSA-N 345.483 3.816 0 50 EHAA Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c1 332778393 RNWVWHMBTGSZGG-ZTTFOMCMSA-N 343.467 3.807 0 50 EHAA Cc1cnc(C)c(NC[C@H](c2ccc(Cl)cc2)N2CCCC2)n1 534672446 PBFQLODUEBVFEI-QGZVFWFLSA-N 330.863 3.996 0 50 EHAA C[C@H]1c2ccccc2C[C@H]1NC(=O)Nc1cccc(OCCF)c1 666337100 ZVNZXXMDCDNDRY-SCLBCKFNSA-N 328.387 3.885 0 50 EHAA Cc1ccc2c(c1C)N(C(=O)c1ccc(C3OCCO3)cc1)CCC2 891380277 KRWCESRGYNMNJD-UHFFFAOYSA-N 337.419 3.942 0 50 EHAA CC1=CC[C@@H](Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)CC1 901694596 PVWRYAJLNUPTBB-QGZVFWFLSA-N 342.439 3.534 0 50 EHAA CCOc1ccccc1-c1nnc(SCc2csnc2OC)o1 952884280 WYBLSLBKENWVDX-UHFFFAOYSA-N 349.437 3.893 0 50 EHAA CC(C)Sc1nnc(NC(=O)c2cnc3c(c2)CCCC3)s1 1506398478 CDQSTTKNRVFUQX-UHFFFAOYSA-N 334.470 3.565 0 50 EHAA Cc1noc(NC(=O)[C@H](C)CN2CCCCC2)c1-c1ccccc1 1529178846 QYVXPJKHGDPBBL-CQSZACIVSA-N 327.428 3.711 0 50 EHAA Cc1ncc2c(n1)[C@]1(CCCN(c3cc(C(F)(F)F)ccn3)C1)CC2 1704339846 NMSDLQNKMGYPNT-QGZVFWFLSA-N 348.372 3.683 0 50 EHAA Cc1cccc(=O)n1CCCn1ccnc1-c1ccc2cccnc2c1 1857687519 VIQNXMGKCSBEIR-UHFFFAOYSA-N 344.418 3.659 0 50 EHAA Cc1nc(C(=O)N[C@@H]2CCC[C@H]3C[C@H]32)nn1-c1ccccc1C(C)C 1875311031 KBUOMXMLMVUAKS-USXIJHARSA-N 338.455 3.618 0 50 EHAA Cc1ccncc1NC(=O)c1cccc(NC(=O)Nc2cccnc2)c1 1875328082 XJWJPCIRUPUJMT-UHFFFAOYSA-N 347.378 3.681 0 50 EHAA O=C(N[C@@H](C(=O)O)[C@@H]1CCc2ccccc21)c1ccc2ccccc2c1 1875344813 NFMJTBWVLNZRDL-WOJBJXKFSA-N 345.398 3.753 0 50 EHAA C[C@@H]1Cc2cc(CCNCc3cn4cc(Cl)ccc4n3)ccc2O1 2325857916 USBXOJLYITVXLD-CYBMUJFWSA-N 341.842 3.643 0 50 EHAA CCCCc1nc(CN2CCC[C@@]3(CCc4c[nH]nc43)C2)c(Cl)[nH]1 2356141449 BCCTVNOPJSMGLW-GOSISDBHSA-N 347.894 3.609 0 50 EHAA COC(=O)c1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)cc1 475425 QSTKQHVARMPUDA-MDZDMXLPSA-N 333.746 3.918 0 50 EHAA O=C(NCCSCc1ccco1)c1ccc(Br)cc1 2991826 VHDQMYKPEHFYFE-UHFFFAOYSA-N 340.242 3.705 0 50 EHAA COc1cccc(N[C@@H]2SC(=O)N(c3ccc(C)cc3)C2=O)c1 3145323 MEATTWPYOMAAAB-OAHLLOKOSA-N 328.393 3.642 0 50 EHAA O=C(CSc1nnc(-c2ccccn2)o1)Nc1ccc(Cl)cc1 4488129 PMWDPPKCEHWPFA-UHFFFAOYSA-N 346.799 3.516 0 50 EHAA CC(C)Oc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCO4)cc1 4488791 SUWZTHGPICCDLN-AWEZNQCLSA-N 325.364 3.677 0 50 EHAA COc1ccc(OC)c(NC(=O)CCc2ccc(OC)c(Cl)c2)c1 4542055 OTKAGMOPYOVDII-UHFFFAOYSA-N 349.814 3.937 0 50 EHAA C[C@@H](CN1CCCCC1)OC(=O)COc1ccc(C(C)(C)C)cc1 4550659 VNHPFMCKVFIJRI-INIZCTEOSA-N 333.472 3.781 0 50 EHAA O=C(Nc1ccccn1)c1cc(-c2ccncc2)nc2ccccc12 5520674 SUOAMUAFSHEQAX-UHFFFAOYSA-N 326.359 3.944 0 50 EHAA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc(F)c1 6726513 GKDOPWHNEARIIL-UHFFFAOYSA-N 327.359 3.706 0 50 EHAA O=C(Nc1ccccc1)N1CCC(CO)(CCc2ccccc2)CC1 11934703 GRMRPXGPDQFXOE-UHFFFAOYSA-N 338.451 3.926 0 50 EHAA O=C1CCN(Cc2cc3ccccc3[nH]2)CCN1CC1CCCCC1 14995621 SPZNBEKHUNKRIS-UHFFFAOYSA-N 339.483 3.783 0 50 EHAA Cc1ccc(C(C)(C)C)c(OCCOCCN2C[C@H](C)O[C@H](C)C2)c1 16247314 RLBQMDYNUFUHGQ-HDICACEKSA-N 349.515 3.797 0 50 EHAA Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)c(Cl)c1 16651593 WEDRYMYWBFBNJF-UHFFFAOYSA-N 333.800 3.690 0 50 EHAA CC(C)[C@H](NC(=O)c1cccc(Cl)c1)c1nnc2ccccn12 20739197 IIBZFELNFFTANG-HNNXBMFYSA-N 328.803 3.510 0 50 EHAA O=C(Cn1ccc2ccc(Cl)cc21)Nc1nnc(C2CC2)s1 36360298 QHZSEOUFENADHM-UHFFFAOYSA-N 332.816 3.662 0 50 EHAA C[C@H](Cc1cccnc1)n1cnc2c(C(F)(F)F)cccc2c1=O 42936095 MXRJXLVTUSJRIP-LLVKDONJSA-N 333.313 3.614 0 50 EHAA CC(=O)Oc1c(C)cc(CN[C@@H](C)c2nc3ccccc3[nH]2)cc1C 55368999 BPRNJKKNNROYNA-AWEZNQCLSA-N 337.423 3.956 0 50 EHAA COc1ccccc1-c1cccc(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)c1 65461623 HGWDEFGJTHEJIU-CQSZACIVSA-N 349.434 3.755 0 50 EHAA COc1ccc(O)cc1-c1c(-c2ccccc2)ncn1CC[C@H](C)O 65462333 OOKWFJGKZICQOJ-AWEZNQCLSA-N 338.407 3.702 0 50 EHAA CC[C@H](C)N(CC)C(=O)c1cc(COc2ccc(C(C)=O)cc2)on1 67821833 IZHQWFGIHMHMHR-ZDUSSCGKSA-N 344.411 3.717 0 50 EHAA Cc1ccsc1-c1nc(COc2ccc(C(N)=O)cc2)c(C)o1 67867726 SMSWXOMIXYJYIL-UHFFFAOYSA-N 328.393 3.698 0 50 EHAA Cc1ccc(-c2ccnc(N[C@@H](c3nccn3C)C(C)C)n2)c(C)n1 71754130 IXKNTTLSPMKKID-QGZVFWFLSA-N 336.443 3.698 0 50 EHAA c1ccc(OCc2noc(COc3ccc4ncccc4c3)n2)cc1 72161705 CCJTVBCNQHRHFO-UHFFFAOYSA-N 333.347 3.776 0 50 EHAA Cc1ccc2oc(C(=O)N(C)Cc3n[nH]c4c3CCCC4)c(C)c2c1 77002465 JZHPLUUVFREIDH-UHFFFAOYSA-N 337.423 3.924 0 50 EHAA Cc1nc(C(=O)N2CCC[C@@H](c3nc4c(C)cccc4[nH]3)C2)cs1 77437867 AYKQOQHETZGGRB-CYBMUJFWSA-N 340.452 3.656 0 50 EHAA Cc1ccc(F)cc1C(=O)N1CCC(c2nccn2C(C)C)CC1 91651085 DMMROBUNMRATON-UHFFFAOYSA-N 329.419 3.931 0 50 EHAA Cc1nn(C)c2nc(NCc3cccc(CN4CCCC4)c3)sc12 95512244 RZQBDPHHVIDOSZ-UHFFFAOYSA-N 341.484 3.546 0 50 EHAA O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2C12CC2 101376725 ABXRCSKKLJPHJQ-DMTCVQMQSA-N 334.202 3.695 0 50 EHAA O=C(Cc1c[nH]c2ccc(F)cc12)NCC1(c2ccc(F)cc2)CC1 115031868 GLNGZYPXMFLEKX-UHFFFAOYSA-N 340.373 3.837 0 50 EHAA Cc1ccccc1Cn1c(NCc2ccnn2C)nc2ccccc21 167835777 VTJSOUAYGNZDLB-UHFFFAOYSA-N 331.423 3.739 0 50 EHAA Cc1cc(C)c2cc(C(=O)N3C[C@H](C(=O)O)c4ccccc43)[nH]c2c1 192937163 BINYAGHSTCGEMK-HNNXBMFYSA-N 334.375 3.613 0 50 EHAA FC(F)C(F)(F)COCCNC1[C@H]2CC[C@H]1Cc1ccccc1C2 225412925 DUCOTCLGRFXKOO-GJZGRUSLSA-N 345.380 3.687 0 50 EHAA COC[C@@H](C)Nc1ccccc1NC(=O)CCc1cccc(OC)c1 225496256 OVFCRNJBSZHKQD-OAHLLOKOSA-N 342.439 3.713 0 50 EHAA CC(C)c1[nH]ncc1C(=O)Nc1ccc(OCc2cccnc2)cc1 225548289 JHGJOAYRMQHHGT-UHFFFAOYSA-N 336.395 3.759 0 50 EHAA Cc1nc2ccccn2c1-c1nnc2sc(-c3cccs3)nn12 227143783 NNBNFKCXWSYPEV-UHFFFAOYSA-N 338.421 3.537 0 50 EHAA O=C(CCN(Cc1cccc(O)c1)C1CC1)NC1CCCCCC1 244741939 NZKAOBTYVMNVEW-UHFFFAOYSA-N 330.472 3.586 0 50 EHAA CC[C@H](NC(=O)C(=O)N[C@@H](c1ccccc1)C(C)C)c1ccccc1 252488081 IIXPALUCZKQOBF-RBUKOAKNSA-N 338.451 3.767 0 50 EHAA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1csc2c1CCCC2 252510847 CEHOUTFMGPNRQL-WQVCFCJDSA-N 347.480 3.573 0 50 EHAA Cc1nc(NC(=O)[C@@H](Cc2ccccc2)n2cccc2)sc1C 253410333 NEYHUGAJTBTFTG-MRXNPFEDSA-N 325.437 3.984 0 50 EHAA CC(C)(C)c1cnc(CNc2nc(-c3cccnc3)nc3c2CCC3)o1 269055312 RRVMAOHKZUZPNF-UHFFFAOYSA-N 349.438 3.925 0 50 EHAA CC(C)n1ccnc1-c1cccc(C(=O)NCCCc2ccccn2)c1 299756300 LGYSPJBUEMOVNA-UHFFFAOYSA-N 348.450 3.889 0 50 EHAA CC(C)c1nc(CCNC(=O)Nc2ccc3c(c2)C[C@H](C)O3)cs1 299760229 DOLLTAKKBPVLOO-LBPRGKRZSA-N 345.468 3.954 0 50 EHAA CCc1cc(C(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)cc(O)n1 299767661 INSCFYMBGXMCAP-OAQYLSRUSA-N 338.451 3.790 0 50 EHAA CC(C)n1cc(NC(=O)N(Cc2ccsc2)C2CCCC2)nn1 299798358 RCTOSTBZICXNES-UHFFFAOYSA-N 333.461 3.897 0 50 EHAA Cc1nc(C)c(S(=O)(=O)N2CC3(CCC3)[C@H]2c2ccccc2)s1 330361965 YYXWDFJEHOZLLQ-OAHLLOKOSA-N 348.493 3.676 0 50 EHAA CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 353217659 IURANMQCBRXAQS-YOEHRIQHSA-N 349.814 3.524 0 50 EHAA CCCn1ccnc1CNC(=O)c1ccc(-c2ccnc(C)c2)cc1 426669190 ZYTRMANEQVQLCI-UHFFFAOYSA-N 334.423 3.594 0 50 EHAA CS(=O)(=O)CC1(COc2ccc3oc4c(c3c2)CCCC4)CC1 678199251 YRVGJYNZACTEIR-UHFFFAOYSA-N 334.437 3.515 0 50 EHAA Clc1cccnc1CN1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 685940465 BEABLYKFAUJXKC-UGSOOPFHSA-N 344.846 3.549 0 50 EHAA C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NC1CC(CC(=O)O)C1 910813077 QCZAXGBVNFGQHQ-JBLZRFIASA-N 344.238 3.542 0 50 EHAA CCCC[C@@H]1C=CCN1C(=O)C1(c2ccccc2)CCN(C)CC1 1506399112 KAWKPWGIWCHJGW-LJQANCHMSA-N 326.484 3.607 0 50 EHAA CO[C@H]1CCCN(C(=O)c2ccccc2NCc2cccs2)C1 1506405809 NZAKIULGQUFAKD-AWEZNQCLSA-N 330.453 3.611 0 50 EHAA COc1cccc2ccc(-c3nccn3[C@@H]3CCCN4CCC[C@H]34)nc12 1772807188 QNVLSFPZIIQMGU-QZTJIDSGSA-N 348.450 3.906 0 50 EHAA CC(C)c1ccc(-c2noc(-c3ccc(S(C)(=O)=O)o3)n2)cc1 1875281140 QWAIKUHNXNMUTK-UHFFFAOYSA-N 332.381 3.524 0 50 EHAA NC(=O)COc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 2325733322 ZFSVOIDFKLFGIU-UHFFFAOYSA-N 343.383 3.557 0 50 EHAA C[C@@H](c1ccccc1)N1CCC(Nc2cc(O)nc3ncccc23)CC1 2325780426 DQAUAHSEGKAGLA-HNNXBMFYSA-N 348.450 3.973 0 50 EHAA COc1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1OC 69134 XYPFZOSRHKLCSQ-UHFFFAOYSA-N 347.421 3.536 0 50 EHAA Fc1ccc(-c2cc(C(F)(F)F)nc(NC[C@H]3CCCO3)n2)cc1 213209 YPQBSWGZNYBRED-GFCCVEGCSA-N 341.308 3.892 0 50 EHAA CCOc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12 267112 YPGOVAKRQUAHIC-UHFFFAOYSA-N 333.453 3.803 0 50 EHAA COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 274511 GSKRJNPXCZQTHS-UHFFFAOYSA-N 336.347 3.793 0 50 EHAA Cc1nn(Cc2ccc(C(=O)NCc3ccccc3)o2)c(C)c1Cl 371112 BAFONSRNUGPBGJ-UHFFFAOYSA-N 343.814 3.725 0 50 EHAA COc1ccc(C(=O)Oc2cc3oc(=O)cc(C)c3cc2Cl)cc1 521981 DSHPNURHZZGKJW-UHFFFAOYSA-N 344.750 3.983 0 50 EHAA biogenic CC(=O)O[C@@H](COc1ccc(Cl)cc1)Cn1cnc2ccccc21 608548 PLZQXCZDNDJYNE-MRXNPFEDSA-N 344.798 3.700 0 50 EHAA O=C(OCc1cccc2ccccc12)[C@@H]1CC(=O)N(c2ccccc2)C1 613723 OPJPBUVKFBBRAX-GOSISDBHSA-N 345.398 3.936 0 50 EHAA COc1ccc(Cl)cc1S(=O)(=O)Oc1cc(C)cc(C)c1 2998191 ZHVLYTGLWXAAOS-UHFFFAOYSA-N 326.801 3.733 0 50 EHAA CC[C@H]1CN(Cc2cccc(OC)c2)Cc2cc(OC)ccc2O1 11881877 JMQHXMCEZJSAOD-KRWDZBQOSA-N 327.424 3.877 0 50 EHAA CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2)cc1 12885778 LDYLYCDQJASJRJ-AWEZNQCLSA-N 333.453 3.687 0 50 EHAA Cc1ccc(-n2cc(CN3CC[C@@H](O)C3)c(-c3cccc(C)c3)n2)cc1 20109556 BDEDLEVNOSTMSF-OAQYLSRUSA-N 347.462 3.723 0 50 EHAA O=C(c1cscn1)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 20781802 IUAMTJCLIGUMBP-AWEZNQCLSA-N 330.388 3.526 0 50 EHAA Cc1cc(C)c2c(C(=O)N3CC(n4nc(C)cc4C)C3)cc(C)nc2c1 55041975 QMCJUOJZGSBXIW-UHFFFAOYSA-N 348.450 3.671 0 50 EHAA CN(Cc1cn[nH]c1-c1ccc(F)cc1)Cc1cccc2c1OCO2 55153154 MOONOOSVPAZLQQ-UHFFFAOYSA-N 339.370 3.577 0 50 EHAA CC(C)CN(Cc1cnn(C)c1)Cc1ccc([C@@H]2CCCO2)s1 55393230 BZVUHQQFWLFZBA-KRWDZBQOSA-N 333.501 3.991 0 50 EHAA Cc1cc(N[C@@H](CN(C)C)c2ccccc2)nc(-c2cccnc2)n1 65527449 RGOVPXPHUPNHLF-SFHVURJKSA-N 333.439 3.562 0 50 EHAA Clc1ccc(Cc2noc(-c3ccc(-c4cncnc4)nc3)n2)cc1 72145755 BEXHAKUUAGOAGR-UHFFFAOYSA-N 349.781 3.833 0 50 EHAA NCCc1cccc(CN2CCC[C@@H](COc3ccccc3F)C2)c1 72411266 RFEPKWBZRRUFPX-LJQANCHMSA-N 342.458 3.618 0 50 EHAA Cc1ccc(C)c2c(C)c(C(=O)N3CCN[C@H](c4ccccc4)C3)[nH]c12 91769851 ILHVHRXSMAXBII-SFHVURJKSA-N 347.462 3.880 0 50 EHAA Cc1nnc([C@H](C)NC(=O)c2sc3cccc(F)c3c2Cl)o1 91893066 YRYAQGWCXFBDOS-LURJTMIESA-N 339.779 3.876 0 50 EHAA CC(C)c1cc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)n(C)n1 91933515 QRRIVMUQLBYRAA-UHFFFAOYSA-N 341.386 3.873 0 50 EHAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@@H]1COC2(CCCC2)C1 92046068 CQIGMTOZKKFQRG-INIZCTEOSA-N 340.467 3.854 0 50 EHAA CCN(C)C1(CNc2ncnc3nc(C)cc(C)c23)CCCCC1 95378728 JVSNREMVPYOICT-UHFFFAOYSA-N 327.476 3.708 0 50 EHAA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]21 100251717 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CCCc1noc(CN[C@@H](C)c2ccc(Br)cc2F)n1 285532720 FNMLEFZXGBIXBV-VIFPVBQESA-N 342.212 3.775 0 50 EHAA COc1ccccc1CCC(=O)N1CCC(Cc2cccnc2)CC1 374283960 NMNWGCFTOWECSU-UHFFFAOYSA-N 338.451 3.504 0 50 EHAA CC(C)c1cc(CNC(=O)N2CCCC[C@H]2c2nccs2)on1 426479678 HRNFTANHFYONEQ-AWEZNQCLSA-N 334.445 3.691 0 50 EHAA CC(C)Oc1cccc(CNC(=O)N(C)CCC[C@H]2CCCO2)c1 534673447 KFJWCNMWWIBFQJ-KRWDZBQOSA-N 334.460 3.574 0 50 EHAA CC(C)[C@H](NC(=O)c1cccc(Cl)c1O)[C@H](O)c1ccccc1 790394879 GFTDKZMCJVMKDD-JKSUJKDBSA-N 333.815 3.534 0 50 EHAA C[C@@H](NC(=O)Nc1ccc(-c2nncs2)cc1)c1cccc(O)c1 1466384631 RQQINMDGBAYLMQ-LLVKDONJSA-N 340.408 3.793 0 50 EHAA Cc1cc(C)n(C[C@H](C)NCc2cccc(C(F)(F)F)c2F)n1 1506396720 MWLDWOKWWQANBI-NSHDSACASA-N 329.341 3.836 0 50 EHAA Fc1cc(F)cc(-c2nccn2[C@H]2CCOC3(CCOCC3)C2)c1 1857735501 QBIOMFCKIATJPF-INIZCTEOSA-N 334.366 3.729 0 50 EHAA O=C(CNc1ccccc1Cl)N1CC=C(c2ccc(F)cc2)C1 1875258174 VCRJSVJMNGRRRF-UHFFFAOYSA-N 330.790 3.817 0 50 EHAA C[C@H](NC(=O)N1CCCCC[C@@H]1Cc1cccs1)c1nccn1C 1875267629 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C[C@H]1[C@H](CNCCCN(C)C)[C@H](C)C[C@]2(C)Oc3ccccc3C[C@H]12 13119901 LNUAAHAFERZTED-POGPBNCUSA-N 344.543 3.830 0 50 EHAA O=C(c1ccc(OC2CCN(C3CCC3)CC2)cc1)N1CCCCC1 14957035 JEFCZMAJSNEBDJ-UHFFFAOYSA-N 342.483 3.708 0 50 EHAA CCc1ccc(CN(C)Cc2nc(Cc3cccc(F)c3)no2)cc1 14959659 FOXSYIQCANFADN-UHFFFAOYSA-N 339.414 3.994 0 50 EHAA Cc1cnc(NCc2ccc3c(c2)CC(C)(C)O3)nc1-c1cnn(C)c1 23153326 XANBDFGAVLFICB-UHFFFAOYSA-N 349.438 3.511 0 50 EHAA O=C(O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 30822675 ANKIAATVFMALOB-QGZVFWFLSA-N 327.424 3.956 0 50 EHAA Cc1ccc2nc(-c3ccc(NC(=O)/C=C\C(=O)O)cc3)sc2c1 32650037 HDYOIHVTWSZHQB-HJWRWDBZSA-N 338.388 3.851 0 50 EHAA CCc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1 33088845 MIDQZVNRWMTOOJ-CYBMUJFWSA-N 332.403 3.933 0 50 EHAA COc1cccc(CN[C@H]2CCCc3nc(-c4cccnc4)ncc32)c1 55368776 QSZOVDUVNXNLKE-IBGZPJMESA-N 346.434 3.714 0 50 EHAA CCOc1ccccc1OCCN(C)Cc1cnc2ccccc2n1 55576229 XMWKDIDDHPUSLN-UHFFFAOYSA-N 337.423 3.539 0 50 EHAA C/C(=C\c1ccco1)[C@H]1CC(=O)Nc2c1c(-c1ccccn1)nn2C 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O=C(Nc1ccc([C@H]2CCOC2)cc1)N1CCC[C@H]1C1CCOCC1 333641626 IWEHOXRVHAZQOP-HKUYNNGSSA-N 344.455 3.613 0 50 EHAA CC(C)(C)n1cc(C(=O)N[C@H]2CCCc3sc(Cl)cc32)nn1 344639504 YKHXTBUJWLQIFF-JTQLQIEISA-N 338.864 3.555 0 50 EHAA Cc1nc(-c2cccc(C(=O)N3CC[C@@]4(CCCOC4)C3)c2)cs1 375373041 ACVNLRNFTSCJIZ-IBGZPJMESA-N 342.464 3.761 0 50 EHAA O=C(N=c1cc(-c2ccccc2F)o[nH]1)N1C[C@H]2CCCC[C@H]2C1 408393467 FWRSNUDSDMMHBR-BETUJISGSA-N 329.375 3.557 0 50 EHAA CCn1cncc1CNC(=O)c1ccc(-c2cc(C)nc(C)c2)cc1 426387235 IFZUVKVWERJZES-UHFFFAOYSA-N 334.423 3.512 0 50 EHAA CCCC[C@@H]1C=CCN1C(=O)c1ccc(-c2cnn3cccnc23)cc1 426429021 VGDLZONUAHXILT-GOSISDBHSA-N 346.434 3.967 0 50 EHAA Cc1ncccc1CN(Cc1ccsc1)[C@@H]1CC12CCNCC2 435421892 LLMFDOBRZSQFNA-GOSISDBHSA-N 327.497 3.596 0 50 EHAA Cc1nnc(CN(C)c2ncnc3sc4c(c23)CC[C@@H](C)C4)s1 664636198 PQDSRFWUJAQGHI-SECBINFHSA-N 345.497 3.612 0 50 EHAA COc1ccc(Cn2nc(C3CC3)nc2[C@@H]2CCCCCN2C)cc1 670439096 BKNCORQEKRCFNE-SFHVURJKSA-N 340.471 3.759 0 50 EHAA Cc1cccnc1C(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 670453136 TUWDLTFDRUIKPV-IBGZPJMESA-N 337.467 3.737 0 50 EHAA CC(C)NC(=O)OC[C@H]1CCCCN1Cc1cnc2ccccc2c1 796708748 SBXVJOASPMEBCW-GOSISDBHSA-N 341.455 3.724 0 50 EHAA c1csc(-c2nc(CNCc3ccc([C@@H]4CCCCO4)o3)no2)c1 952960218 NCXPWQMBTZRCIF-ZDUSSCGKSA-N 345.424 3.923 0 50 EHAA CCOc1ccc2nc(N3CCC[C@H]3c3nnc(C)o3)sc2c1 1875287044 SOUCNAMJXNWRNE-ZDUSSCGKSA-N 330.413 3.728 0 50 EHAA Cc1cc(C2CCCCC2)n(OCc2csc3cncn23)c(=O)c1 2325801508 LOUUVKKNRVEYRO-UHFFFAOYSA-N 343.452 3.542 0 50 EHAA Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1c(F)ccc(C(=O)O)c1C 2325829020 YJHXAUUOCWUJKJ-INIZCTEOSA-N 327.355 3.558 0 50 EHAA NCC1(c2ccc(C(=O)NCC[C@@H]3CCc4ccccc43)cc2)CC1 2325864393 NJKUCLKTZKCZNV-KRWDZBQOSA-N 334.463 3.527 0 50 EHAA Cc1cc(=Nc2cccc(N3CCN(C)C3=O)c2)c2ccccc2[nH]1 2356146062 PRVBXSYVWVKFLJ-UHFFFAOYSA-N 332.407 3.581 0 50 EHAA CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1 62946 WBGBLPOUMMOMFV-UHFFFAOYSA-N 329.381 3.623 0 50 EHAA CCOC(=O)c1cc(C)n(CCc2ccc(OC)c(OC)c2)c1C 221468 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CSc1ccc(C(=O)[C@@H]2CCCN(CCc3ccccn3)C2)cc1 71753958 ZWXXKQAJGUYROI-QGZVFWFLSA-N 340.492 3.941 0 50 EHAA COc1ccccc1N1CCN(Cc2cccc(C(C)=O)c2)[C@H](C)C1 72121685 WKSKKROZBSMPSO-MRXNPFEDSA-N 338.451 3.609 0 50 EHAA Cc1noc(C)c1CCC(=O)N(C)Cc1cc(-c2ccccc2)no1 72440104 BVIDNGVRDLGXKG-UHFFFAOYSA-N 339.395 3.538 0 50 EHAA COc1cc(-n2ccnc2[C@H](C)c2ccccc2)ccc1NC(C)=O 77504594 MJNLMHIXJBPWKC-CQSZACIVSA-N 335.407 3.991 0 50 EHAA O=C(c1ccc(OC(F)F)cc1)N1CCCC[C@@H]1CCn1cccn1 82097372 CNTHONVKUVCMID-OAHLLOKOSA-N 349.381 3.570 0 50 EHAA COc1ccc(CNC(=O)c2ccc3oc(C)cc3c2)c(F)c1F 91651432 SUCWFXCICAZWGE-UHFFFAOYSA-N 331.318 3.958 0 50 EHAA Cc1cc(C[C@@H](C)NC(=O)c2ccc(-c3ccccc3Cl)o2)[nH]n1 91951870 ZJBQEASDFJORFY-LLVKDONJSA-N 343.814 3.993 0 50 EHAA COc1cccc2ccc(N3CCC[C@H](CN4CCCCC4)C3)nc12 96138950 RXOMFHVHUWIRHZ-QGZVFWFLSA-N 339.483 3.946 0 50 EHAA Cn1cnnc1C1CCN(CC(c2ccccc2)c2ccccc2)CC1 97213178 ASZNHDGZOPSOMK-UHFFFAOYSA-N 346.478 3.827 0 50 EHAA C[S@@](=O)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1 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Cc1c(NC(=O)N2CCOC[C@@H]2c2ccccc2)cccc1N(C)C 253417843 HVKYSJGGXLCXLB-LJQANCHMSA-N 339.439 3.666 0 50 EHAA C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)CC(=O)O 257346215 VAPBKEAUXQVFHX-PTAHHKKXSA-N 348.483 3.516 0 50 EHAA Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CC[C@H]2C(=O)O)cc1 262078048 KLRJHGNKTFDONN-HUUCEWRRSA-N 325.364 3.837 0 50 EHAA Cc1cccc(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1F 277336668 WWMRSWKQBALHKY-GUYCJALGSA-N 331.391 3.628 0 50 EHAA CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)[C@@H]1CCCc2cccnc21 277844614 KZPJCNHUWNJDIN-NRXGSXMXSA-N 342.414 3.533 0 50 EHAA CCN(Cc1nc(Cc2ccccc2C)no1)[C@H]1CCOC(C)(C)C1 290003313 ZGHCNYJCDOEBNH-KRWDZBQOSA-N 343.471 3.748 0 50 EHAA CCc1noc(C)c1CN[C@H]1c2ccccc2CC12CCOCC2 290206049 UPMBSGJANFITRC-IBGZPJMESA-N 326.440 3.729 0 50 EHAA Cc1nc(NC(=O)[C@@H]2CO[C@H](C)C2)sc1Cc1ccc(F)cc1 331445726 OEOYNSBUDQKXBU-MFKMUULPSA-N 334.416 3.545 0 50 EHAA CC1(C)CCc2sc(NC(=O)[C@H]3CCOc4ccccc43)nc21 333752608 NXOPLEBPWSXTOL-LBPRGKRZSA-N 328.437 3.872 0 50 EHAA O=C(NCCCCc1ccc(Cl)s1)[C@@H]1CCCc2nc[nH]c21 367644057 QVCACMVRJDBRGA-GFCCVEGCSA-N 337.876 3.684 0 50 EHAA Cc1nnsc1C(=O)N1CCC[C@@H]1C[C@@H]1CCCc2ccccc21 372829716 HNENWYVFUIPEJC-JKSUJKDBSA-N 341.480 3.961 0 50 EHAA CCc1cc(N2CCC(c3c[nH]nc3C)CC2)nc(-c2ccncc2)n1 376475586 UVSSSZWDKGKGMF-UHFFFAOYSA-N 348.454 3.517 0 50 EHAA Cc1cc(CNCc2nnc(C3CC3)s2)c(OC(F)F)cc1C 414557286 PXJPUEGYFFQZTD-UHFFFAOYSA-N 339.411 3.924 0 50 EHAA Cc1ccc2nc(CCCNC(=O)c3cccn3C3CC3)[nH]c2c1C 426548528 NTLPQJQAYWXHOA-UHFFFAOYSA-N 336.439 3.679 0 50 EHAA COC[C@H](C)NC(=O)c1ccc(-c2ccc(C(F)(F)F)nc2)cc1 426632933 UXYCEKDMLXAEOJ-NSHDSACASA-N 338.329 3.532 0 50 EHAA CN(C)[C@H]1CCN(C(=O)c2cccc(-c3ccc(F)cc3Cl)c2)C1 584901880 DACWBWCOGWFGTH-INIZCTEOSA-N 346.833 3.922 0 50 EHAA c1ccc2ncc(CCNc3nc(C4CCOCC4)ns3)cc2c1 896046626 FJYCMMYACJLWKC-UHFFFAOYSA-N 340.452 3.635 0 50 EHAA Cc1noc(C)c1C(C)(C)c1nc(-c2ccc3oc(O)nc3c2)no1 952848715 VRUXWHBVPVXMDB-UHFFFAOYSA-N 340.339 3.514 0 50 EHAA CC(C)c1noc(C2CCN(c3nc(-c4ccccc4)no3)CC2)n1 1529185929 SXPCVYSFLASQET-UHFFFAOYSA-N 339.399 3.627 0 50 EHAA CN1[C@H]2CC[C@@H]1CCN(C(=O)c1ccc(-c3ccsc3)cc1)C2 1565530983 ZWJPGFKVCWMMLT-MSOLQXFVSA-N 326.465 3.724 0 50 EHAA C[C@@H]1C(=O)N2CCC[C@H]2CN1Cc1cccc2c1oc1ccccc12 1772708853 CVASJBCADGOZGJ-ZBFHGGJFSA-N 334.419 3.781 0 50 EHAA CCCSCc1nnc2sc(-c3cc4ccccc4[nH]3)nn12 1776111087 WCYPVPVGCAWXGF-UHFFFAOYSA-N 329.454 3.977 0 50 EHAA CCCn1nc([C@H](C)O)nc1CCCc1nc2ccccc2s1 1857680978 UANWWVBJRSKCCA-LBPRGKRZSA-N 330.457 3.526 0 50 EHAA COc1ccc(F)c(-c2nccn2C[C@@H]2CCCN3CCCC[C@H]23)c1 1857690714 PSUWVPLUNGNFHP-HNAYVOBHSA-N 343.446 3.962 0 50 EHAA Cc1ccc(-c2nccn2CCc2noc(C3CC3)n2)c2cccnc12 1857693595 DEQFHXOHWUMSET-UHFFFAOYSA-N 345.406 3.910 0 50 EHAA Cc1ncc2ccc(C(=O)N[C@H](C)c3cccc(OC(F)F)c3)cn12 1875253482 GNFNMOALUPNDMH-LLVKDONJSA-N 345.349 3.735 0 50 EHAA COc1ccc(NC(=O)c2ccc(Cc3ccccc3)cn2)cc1OC 1875354964 VYVPRQLKAPIHFL-UHFFFAOYSA-N 348.402 3.942 0 50 EHAA NC(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)CCCC2 1875387856 BCHJVWMRFSHGEZ-UHFFFAOYSA-N 328.799 3.570 0 50 EHAA O=C(CCC(=O)c1cccs1)N[C@H]1CCc2cc(F)c(F)cc21 2325797622 JCANFNCIEUPOSR-AWEZNQCLSA-N 335.375 3.793 0 50 EHAA CC1=CC[C@@H](C(=O)O)[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 106220 XBNFYFUGSSJTKU-CHWSQXEVSA-N 343.301 3.581 0 50 EHAA Cc1cccc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c1C 609723 LEURWFJXGCYLHO-UHFFFAOYSA-N 345.393 3.936 0 50 EHAA CCCOc1cccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)c1 2287973 QGKUHJACZJSMLK-UHFFFAOYSA-N 341.363 3.661 0 50 EHAA CC(=O)c1cccc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)c1 2798267 MICUUGGKTHSRDV-UHFFFAOYSA-N 339.420 3.805 0 50 EHAA Cc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)s1 2846713 QFYNKXLRPFQTCR-UHFFFAOYSA-N 334.253 3.884 0 50 EHAA O=C(NCCc1ccccc1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl 2887822 LOYUFJCQRNVACI-HZPDHXFCSA-N 334.246 3.933 0 50 EHAA Cc1c(Cl)cccc1NC(=S)NC1CCN(C(C)C)CC1 5041835 GNERMRUKZGQKJS-UHFFFAOYSA-N 325.909 3.808 0 50 EHAA Nc1c(C(=O)c2ccc(Br)cc2)sc2ncccc12 9189817 DESQMFRHMSLTRY-UHFFFAOYSA-N 333.210 3.872 0 50 EHAA CN(Cc1ccncc1)C[C@@H]1CCCN(CCc2ccccc2F)C1 12308512 GULZGAYLUZLDOY-IBGZPJMESA-N 341.474 3.607 0 50 EHAA CCCO[C@H]1CCCN(Cc2cn(C)nc2-c2ccccc2F)C1 12705526 GCRXGEMRISJXQX-INIZCTEOSA-N 331.435 3.617 0 50 EHAA CCc1ccc([C@@H]2C[C@@H](c3ccccc3C)n3nc(N)nc3N2)cc1 13131857 HCKGLSSUSCFFTE-ROUUACIJSA-N 333.439 3.877 0 50 EHAA CC(=O)N(C)c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1 13813660 OJSZSZAZWWSSMI-UHFFFAOYSA-N 335.379 3.756 0 50 EHAA CCNc1ncnc2sc(C(=O)NCc3ccccc3F)c(C)c12 14990443 GMJZXZFAZMFXDV-UHFFFAOYSA-N 344.415 3.501 0 50 EHAA CCc1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1 20191944 ZPKWJSOFZQPEMV-UHFFFAOYSA-N 331.116 3.530 0 50 EHAA Cc1cc(F)ccc1NC(=O)[C@H]1CCCN1C(=O)c1ccc(F)cc1 20399329 HMVOIGNDLDBAIE-QGZVFWFLSA-N 344.361 3.517 0 50 EHAA CC(=O)c1cc(CN2CCc3[nH]nc(CC4CCCC4)c3C2)cs1 20454085 KEPXDGWPPUTATA-UHFFFAOYSA-N 343.496 3.965 0 50 EHAA NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 33359232 WVLHHLRVNDMIAR-IBGZPJMESA-N 349.482 3.576 0 50 EHAA investigational COc1ccc(Cn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 40283600 IZURBVDSKRZWEW-UHFFFAOYSA-N 326.783 3.621 0 50 EHAA CCc1cc2c(N3CCOCC3)nc(-c3ccccc3)nc2s1 41090371 FKZDGNDLLAVRFC-UHFFFAOYSA-N 325.437 3.757 0 50 EHAA Cc1oc(-c2ccco2)nc1CN(C)Cc1ccc2nsnc2c1 55133601 IKNRRKMQYBPFNE-UHFFFAOYSA-N 340.408 3.880 0 50 EHAA c1cn(CCc2c[nH]cn2)c(-c2ccc([C@@H]3CCCCO3)s2)n1 67515031 PRKKSDJQQPCCSP-AWEZNQCLSA-N 328.441 3.819 0 50 EHAA c1ccc2c(-c3[nH]nc4c3CN(Cc3c[nH]cn3)CC4)cccc2c1 67881272 XDXFRAZEOAAEHZ-UHFFFAOYSA-N 329.407 3.511 0 50 EHAA COc1ccc2cc([C@@H]3CN(Cc4cccnc4)CCO3)ccc2c1 71749368 WXQHVVPGEHELER-NRFANRHFSA-N 334.419 3.817 0 50 EHAA COc1ccc2cc([C@@H]3CN(c4nccnc4C)CCO3)ccc2c1 71763564 PRBNLMIINPMBTE-IBGZPJMESA-N 335.407 3.525 0 50 EHAA CC(C)(C)c1nc(CN2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)no1 72168245 UGCKNVLNZHVOQH-AWEZNQCLSA-N 343.406 3.720 0 50 EHAA Cc1cc2nc(-c3ccccc3)cc(N[C@@H](C)Cc3cnccn3)n2n1 72457920 HDNIGGBQNSMVKI-AWEZNQCLSA-N 344.422 3.538 0 50 EHAA c1ccc(-c2cc(NCc3cc(C4CC4)on3)n3nccc3n2)cc1 72473914 TUMYBXRWDZSHPC-UHFFFAOYSA-N 331.379 3.874 0 50 EHAA Fc1ccc(N2CCCN(c3nc(-c4ccccc4)no3)CC2)cc1 77440368 OPUUAGIMSDDYIH-UHFFFAOYSA-N 338.386 3.592 0 50 EHAA CC[C@H](NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12)c1ccnn1C 91391453 ANQGGMHWKBJSED-INIZCTEOSA-N 338.455 3.637 0 50 EHAA CCCSc1ccc(NC(=O)N[C@@H](c2ncnn2C)C2CC2)cc1 96150284 XRDLWXAAZMWDNY-OAHLLOKOSA-N 345.472 3.590 0 50 EHAA O=C(c1cn2cc(Cl)ccc2n1)N1CCCC[C@@H]1c1cccnc1 97711846 DJQJCDCMQWUOLE-MRXNPFEDSA-N 340.814 3.750 0 50 EHAA CC(C)(CC1CCOCC1)C(=O)Nc1ccc2nc(S)[nH]c2c1 121749208 RTTQPOQNBRHCDB-UHFFFAOYSA-N 333.457 3.633 0 50 EHAA Fc1cccc(-c2cnc(CN3CC[C@@H](Oc4cccnc4)C3)o2)c1 152206687 VSBPXEVRKYMYOG-QGZVFWFLSA-N 339.370 3.529 0 50 EHAA CC(C)c1ccccc1OC[C@H](O)Cn1nccc1-c1cccnc1 152247876 HCHZABLECCJCAX-QGZVFWFLSA-N 337.423 3.508 0 50 EHAA O=C(Nc1cccc(Cl)c1)c1ccccc1NCc1ncccn1 190318397 HWLVRIDPAUETTA-UHFFFAOYSA-N 338.798 3.994 0 50 EHAA CC(C)COc1ncccc1C(=O)N(c1ccccc1)[C@@H]1CCOC1 192072991 WOTQSMPGZGERKA-QGZVFWFLSA-N 340.423 3.552 0 50 EHAA Cc1cc(C)c2cc(C(=O)N3C[C@@H](C(=O)O)c4ccccc43)[nH]c2c1 192937176 BINYAGHSTCGEMK-OAHLLOKOSA-N 334.375 3.613 0 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O=C(Nc1ccsc1Cl)N1CC[C@H](n2cc(Cl)cn2)C1 289942053 WDKFBKPCGCHATF-VIFPVBQESA-N 331.228 3.730 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ncc(-c2ccc(F)cc2)o1 299743277 MWHSQLHZWGXSFM-BPUTZDHNSA-N 344.386 3.698 0 50 EHAA CCn1ccnc1[C@H]1CCCCN1C(=O)[C@H]1CCCC(F)(F)C1 328586273 NDZVITNYCDSMCI-UONOGXRCSA-N 325.403 3.782 0 50 EHAA O=C(N[C@@H](c1cccs1)C1CC1)c1csc([C@@H]2CCCO2)n1 332758993 HKWIEYNZPBNWQT-GXTWGEPZSA-N 334.466 3.937 0 50 EHAA Cc1ccc(F)cc1C1(c2noc([C@@H]3C[C@H]4CC(=O)[C@@H]3C4)n2)CC1 333889263 WRJDNRSEEBPKTP-IACUBPJLSA-N 326.371 3.680 0 50 EHAA Cn1ncc2c(O)nc(N3CC4(CCCCC4)[C@H]3c3ccccc3)nc21 334128519 RKYYWFIPEDZXKL-MRXNPFEDSA-N 349.438 3.581 0 50 EHAA CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC[C@@]2(CCCOC2)C1 375317743 HBSFHHASQYBEGH-IBGZPJMESA-N 335.875 3.938 0 50 EHAA COc1ccc(C(=O)N2CCCC[C@@H]2c2cccc(F)c2)c(O)c1 1772710912 UNDWBDWUSFAHFM-QGZVFWFLSA-N 329.371 3.907 0 50 EHAA COc1nc2ccccc2cc1-c1ncccc1C(=O)N1CCCCC1 1875247571 LBXMATNEMXFTOE-UHFFFAOYSA-N 347.418 3.932 0 50 EHAA 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0 50 EHAA Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N1CCCC(C)(C)C1 252572183 YXEVSRUZRHANOJ-UHFFFAOYSA-N 343.471 3.789 0 50 EHAA Clc1cccc(-c2nc(-c3cncc(Br)c3)no2)n1 253419531 OKRUTXBFZGGWDP-UHFFFAOYSA-N 337.564 3.610 0 50 EHAA CC(=O)c1ccc(N[C@H](c2ccc(Cl)cc2)c2ccn(C)n2)nc1 253427695 BXNZRJSQCYVPMQ-GOSISDBHSA-N 340.814 3.873 0 50 EHAA COC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253595898 KLFNSLGQRNVSJM-DPXPOVILSA-N 346.467 3.566 0 50 EHAA COc1ccc(C(C)(C)C)cc1NC(=O)NCCc1cccnc1 299798844 UHMURQUVISSUKZ-UHFFFAOYSA-N 327.428 3.752 0 50 EHAA O=C(O)c1cccc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c1 341708128 BRNDLKIMMJWUQJ-AWEZNQCLSA-N 337.297 3.808 0 50 EHAA Cc1ccc([C@H](NC(=O)Nc2cncc(F)c2)c2ccccn2)cc1 370250200 HHQBCQJPXTUNHT-SFHVURJKSA-N 336.370 3.835 0 50 EHAA Cc1[nH]ccc1C(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 426599464 BQDHXKRPLRPLAT-IBGZPJMESA-N 325.456 3.670 0 50 EHAA C[C@H](NC[C@H]1CCC2(CCCC2)O1)c1ccc(N2CCCC2=O)cc1 788487603 CXRFDEXYIYLVGV-QFBILLFUSA-N 342.483 3.956 0 50 EHAA Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccncc4)CC3)cc2)o1 825197823 KAWGEUIKSCYLSB-UHFFFAOYSA-N 347.418 3.612 0 50 EHAA O=C(c1nc2ccccc2cc1C1CC1)N1CCCC[C@H]1c1ncon1 903481346 ZGSGJULYKXLROO-KRWDZBQOSA-N 348.406 3.863 0 50 EHAA CC(C)c1cc(C(=O)N(Cc2ccccc2)CC2CCC2)nc(N)n1 952981627 SYTNIHYKYAZLPF-UHFFFAOYSA-N 338.455 3.625 0 50 EHAA CCCc1nc(C)cc(N2CCCN(c3ccc(F)cc3)CC2)n1 1506407863 KJSWCSOHCAOLJV-UHFFFAOYSA-N 328.435 3.593 0 50 EHAA CCOc1ccccc1OCCN1CCC[C@]2(CCC[C@H]2OC)C1 1772701176 JCCPFBWACXNOBZ-WOJBJXKFSA-N 333.472 3.745 0 50 EHAA CCc1sc([C@H](C)NC(=O)c2nc[nH]c2C(F)(F)F)cc1C 1775988058 RKEHUHAYLXCNPY-QMMMGPOBSA-N 331.363 3.852 0 50 EHAA CC[C@@H](C)n1ncc2c(C(=O)O)cc(C=Cc3cncs3)nc21 1857530931 ZJFVIMWTSNLBCX-SNVBAGLBSA-N 328.397 3.727 0 50 EHAA O=C(c1cc2c[nH]nc2s1)N1CC[C@@H]2CC[C@]21c1cccs1 1875396676 QNMBYLZNDBYRBB-MEDUHNTESA-N 329.450 3.837 0 50 EHAA Fc1ccccc1-n1cc(CNc2ccc3c(c2)CNCCC3)cn1 2325777701 WAACNNCWMRVAGF-UHFFFAOYSA-N 336.414 3.659 0 50 EHAA COc1ccc(C[C@H]2CCCCN2Cc2cnn3ccccc23)cc1 2325860721 QOWRTCBHWGMVOG-LJQANCHMSA-N 335.451 3.940 0 50 EHAA CC(C)Cc1nc(CN2CC[C@@H](c3ccccc3)CCC2=O)no1 2356137220 SPTLINOAMNRCEI-INIZCTEOSA-N 327.428 3.564 0 50 EHAA O=C(Nc1ccccc1F)c1ccc(I)cc1 299674 UKVWKSDFXLCBMY-UHFFFAOYSA-N 341.123 3.683 0 50 EHAA Cc1ccc(OCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c(C)c1 462118 RXAIKECPILTGLS-UHFFFAOYSA-N 340.423 3.915 0 50 EHAA COc1cccc(C(=O)Nc2ccccc2Br)c1OC 496513 MJKBVXUDSUXNDI-UHFFFAOYSA-N 336.185 3.719 0 50 EHAA Cc1ccccc1COc1ccc(/C=C2/SC(=O)NC2=O)cc1 1159612 IEONCVUTYVLCHF-MHWRWJLKSA-N 325.389 3.898 0 50 EHAA O=C(O)C[C@@H](c1cccc(C(F)(F)F)c1)N1Cc2ccccc2C1=O 5776501 CDPADJRQVFTFOB-HNNXBMFYSA-N 349.308 3.877 0 50 EHAA O=C(NCc1ccco1)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604320 ZMLYQEBQOGXVPG-UHFFFAOYSA-N 344.370 3.698 0 50 EHAA CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(C)n1 8714946 NFYMONBZNMYFRW-UHFFFAOYSA-N 334.441 3.713 0 50 EHAA CN(C(=O)c1ccsc1)[C@H]1CCCN(CCc2ccccc2)C1 11838311 AKSOMMXJJMZYOK-SFHVURJKSA-N 328.481 3.527 0 50 EHAA CC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2O1 11997358 FHIJJWGFMTUMAL-INIZCTEOSA-N 341.407 3.597 0 50 EHAA C[C@H](COc1ccccc1)N1CCC(CCC(=O)N2CCCC2)CC1 12716313 BHSCPRMWHSJQHN-GOSISDBHSA-N 344.499 3.569 0 50 EHAA CCCCn1cnc2sc3c(c2c1=O)CC[C@H](NCCC(C)C)C3 14978415 FCFNERJQTXIZLO-AWEZNQCLSA-N 347.528 3.751 0 50 EHAA Cc1noc(C)c1CCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 25761849 OKTAPTMXQJAWJD-UHFFFAOYSA-N 343.427 3.847 0 50 EHAA CC(C)[C@H](C)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccco1 55325961 CCBLHORCPAYQJO-AWEZNQCLSA-N 325.416 3.506 0 50 EHAA CC(C)c1nc(C(=O)N2CCc3ccccc32)n(-c2ccccc2)n1 65488365 ALIXKBNSUNVMLV-UHFFFAOYSA-N 332.407 3.594 0 50 EHAA COc1ccc([C@H]2c3[nH]cnc3CCN2Cc2ccccc2C)cc1 67688909 HOIIWGBDUBNMSQ-NRFANRHFSA-N 333.435 3.874 0 50 EHAA O=C(NC[C@@H]1CCN(Cc2cccc(Cl)c2)C1)c1ccsc1 67714480 VRIUTNAQSQNQJM-AWEZNQCLSA-N 334.872 3.653 0 50 EHAA COc1c(C)cnc(CN2CCO[C@@H](CC3CCCCC3)C2)c1C 71746241 IKIBBGWBUNDQQU-SFHVURJKSA-N 332.488 3.878 0 50 EHAA CCOc1ccc(-c2ccnc(NC3CCCCC3)n2)cc1C(=O)O 71750163 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345.464 3.894 0 50 EHAA CN(Cc1ccc2nsnc2c1)Cc1ccccc1Cn1cccn1 215969363 KPIVXWSZKYEYDW-UHFFFAOYSA-N 349.463 3.568 0 50 EHAA COc1ccc(CCCNC(=O)Cc2ccc(C)c(C)c2)cc1OC 218808250 XVWRIBXDPAOKSH-UHFFFAOYSA-N 341.451 3.612 0 50 EHAA CCOc1cc2c(cc1NC(=O)[C@@H]1C[C@H]1c1cccnc1)O[C@@H](C)C2 229885218 UUDHDQFKBKEFJU-VBNZEHGJSA-N 338.407 3.546 0 50 EHAA CC(C)[C@H](CNC(=O)Nc1nc2ccccc2s1)c1ccnn1C 252495198 ONELZGSUDYUNOA-LBPRGKRZSA-N 343.456 3.591 0 50 EHAA CC[C@H](NC(=O)N[C@H](C)CC[C@H]1CCCO1)c1nc(C)cs1 252498113 RJMNUEAUFRNWJA-BNOWGMLFSA-N 325.478 3.550 0 50 EHAA Cc1cccc(-c2[nH]ncc2CN(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 252513854 AIXVKPVRVHMNFH-QRQLOZEOSA-N 325.456 3.630 0 50 EHAA Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CCC[C@H]1C1CCCCC1 253433399 WLAHKBZPZVHVRJ-DLBZAZTESA-N 346.475 3.848 0 50 EHAA COc1ccsc1C(=O)N(C)C[C@@H]1CCCc2sc(C)nc21 328638404 WIQAUKYCIDMELL-NSHDSACASA-N 336.482 3.714 0 50 EHAA COCC1(CNC(=O)NCc2ccc(Cl)cc2Cl)CCC1 336982374 DXUKZAGRHVMHQN-UHFFFAOYSA-N 331.243 3.609 0 50 EHAA 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0 50 EHAA CC[C@H]1CN(C(=O)c2sc(C)nc2-c2ccccc2)CC[C@@]1(C)O 67834465 ZEEQSDUNUQOMSH-HNAYVOBHSA-N 344.480 3.742 0 50 EHAA COC(C)(C)C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(C)cc2)C1 71315442 MZLPPDNVNSFBHR-INIZCTEOSA-N 341.455 3.516 0 50 EHAA CCc1[nH]c2ccc(CNC(=O)c3ccc(O)c(OC)c3)cc2c1C 71721655 PSOAHUJRVWTULD-UHFFFAOYSA-N 338.407 3.683 0 50 EHAA O=C([C@H]1CC=CCC1)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 72477425 IUHDMZZNKVENQJ-AWEZNQCLSA-N 327.403 3.764 0 50 EHAA CN(C)Cc1csc(-c2nccn2Cc2cc(C3CC3)on2)c1 77302680 RTUDZGWHDZIDTI-UHFFFAOYSA-N 328.441 3.587 0 50 EHAA c1ccc(-c2ccc(N3CCC[C@@H](OCc4ccccn4)C3)nn2)cc1 77486201 MNDLKHJJLUWLAE-LJQANCHMSA-N 346.434 3.724 0 50 EHAA Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)c(F)c1 82125940 JWYLCHSKNAWRQH-INIZCTEOSA-N 341.430 3.760 0 50 EHAA O=C(NCCSc1ccccn1)c1ccc([C@H]2CCCO2)s1 92098390 RKYTTWAXLRUALA-GFCCVEGCSA-N 334.466 3.517 0 50 EHAA Cc1cc(CC(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)ccc1F 95391308 QERLDWIXMPQVEC-QGZVFWFLSA-N 343.446 3.860 0 50 EHAA CC[C@@](C)(CC(=O)O)NC(=O)c1sc2nc(C)cc(C)c2c1C 119562553 AIFHUMQBIUIPNX-KRWDZBQOSA-N 334.441 3.595 0 50 EHAA Cc1coc(-c2cccc(NC(=O)[C@@H]3OCCc4ccccc43)c2)n1 124427296 MCCCUZCYBJZCDE-GOSISDBHSA-N 334.375 3.903 0 50 EHAA Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc(F)cc1C(F)(F)F 127042423 AYDNQGGDBBTVKN-QMMMGPOBSA-N 344.308 3.810 0 50 EHAA Cc1cc(C)cc(C[C@H](C)NC(=O)NCc2nc3ccccc3[nH]2)c1 170609780 KAEKMVXPHQIKBA-HNNXBMFYSA-N 336.439 3.610 0 50 EHAA CCOC(=O)Nc1ccc(OC(=O)Cc2ccc(OC)c(F)c2)cc1 170623099 ACKNCWXFKAPSBL-UHFFFAOYSA-N 347.342 3.551 0 50 EHAA CCOc1ccc(NC(=O)c2ccc(-n3cncn3)c(C)c2)c(C)c1 173160353 UVPHUYIAFJNXPJ-UHFFFAOYSA-N 336.395 3.535 0 50 EHAA O=C(O)CCCN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 175932103 VCWSKOGKOINAGY-GFCCVEGCSA-N 332.227 3.701 0 50 EHAA C[C@H]1COCC[C@@H]1C(=O)Nc1ccc(NCCc2ccccc2)cc1 193218221 YUOYYSGSZIKAFM-JXFKEZNVSA-N 338.451 3.952 0 50 EHAA CN(CCSc1ccccc1)C(=O)c1cnc2c(c1)CCCC2 216411200 KASQSRVTWLKWMT-UHFFFAOYSA-N 326.465 3.825 0 50 EHAA CCN(Cc1noc(C)n1)C(=O)c1ccccc1Cc1ccc(C)cc1 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3.776 0 50 EHAA CNc1nc(C)c(C(=O)N2CCC(CCc3ccccc3)CC2)s1 77322364 VEOLBLSIYLVXJV-UHFFFAOYSA-N 343.496 3.978 0 50 EHAA C[C@H](Cc1cccnc1)n1cnc2c(Cl)ccc(Cl)c2c1=O 32541487 KFCODSBTNBQAIS-SNVBAGLBSA-N 334.206 3.902 0 50 EHAA CCc1nn(C)c(Cl)c1CN1CCCC[C@H]1CCn1ccnc1C 77537581 BVDGIURJYNXOGG-HNNXBMFYSA-N 349.910 3.586 0 50 EHAA C[C@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1cnn(CC(F)F)c1 177870335 HIKFEDSVMIRUAK-SWLSCSKDSA-N 334.370 3.558 0 50 EHAA Cn1cncc1-c1ccc(C(=O)N2CCCC[C@H]2c2cccnc2)cc1 426621592 IPXCBWLMURDNGZ-IBGZPJMESA-N 346.434 3.850 0 50 EHAA Cc1ccc(C2(C(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 223388527 LMFNSAMGAXRNLF-FQEVSTJZSA-N 348.490 3.665 0 50 EHAA O=C(N[C@@H](CCCO)c1ccccc1)N[C@@H](c1ccccc1)C(F)F 294140384 GOIKBIVRECXAIR-IRXDYDNUSA-N 348.393 3.806 0 50 EHAA CN1c2ccccc2N[C@H]2[C@H]1N=C(c1ccccc1)N2c1ccccn1 239247996 XVKHHFYSWRTHAE-LEWJYISDSA-N 341.418 3.563 0 50 EHAA Cc1c(C(=O)N2CCCC3(CCOCC3)C2)[nH]c2c(F)cccc12 426421059 FMSMLJGCMPNOCV-UHFFFAOYSA-N 330.403 3.648 0 50 EHAA Cc1nc(CNC(=O)Cc2c(C)[nH]c3c(C)ccc(C)c23)cs1 91877187 SBZXHHSTOZXLEQ-UHFFFAOYSA-N 327.453 3.717 0 50 EHAA O=C(N1CCCC[C@H]1CCc1cccs1)C1(Cn2cccn2)CC1 91535550 DMIWNVGPOURKOR-INIZCTEOSA-N 343.496 3.739 0 50 EHAA CCCCn1nc(C2CCCC2)nc1CCC(=O)NC1CCCC1 96132143 ZCYOIEHLQXYQFY-UHFFFAOYSA-N 332.492 3.727 0 50 EHAA Cc1nc2ccccc2n1CCC(=O)N[C@@H](C)Cc1ccsc1 547473336 FQKBGPGYZVVYBM-ZDUSSCGKSA-N 327.453 3.544 0 50 EHAA CCc1ocnc1C(=O)Nc1ccccc1C(=O)N1CCCC[C@@H]1C 823571106 GHRCKYCLYOWHJK-ZDUSSCGKSA-N 341.411 3.504 0 50 EHAA Cc1nc(CNCc2cnc(SCc3ccccc3)nc2)cs1 952869810 POSOBHWKNDIYOO-UHFFFAOYSA-N 342.493 3.824 0 50 EHAA CCc1nc(CNCc2cc3cc(C)cc(C)c3nc2O)cs1 952973757 HSTPPXOXZDTOHR-UHFFFAOYSA-N 327.453 3.866 0 50 EHAA O=C(C[C@@H](c1ccccc1)c1ccco1)NCCN1CCCCCC1 952985046 AMDAPUHRWZMFBT-IBGZPJMESA-N 340.467 3.794 0 50 EHAA O=C1c2ccccc2CCC12CCN(Cc1ccc3c[nH]nc3c1)CC2 888094400 UXIIMDUSODEXML-UHFFFAOYSA-N 345.446 3.974 0 50 EHAA Cc1ccnc(-c2noc(C3(c4ccc(F)cc4F)CCC3)n2)n1 278668729 KZNMLQSIXVKBDH-UHFFFAOYSA-N 328.322 3.583 0 50 EHAA Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3cc(C4CC4)no3)nc2c1 281618777 JZOJPRFVZYASSW-MRXNPFEDSA-N 336.395 3.714 0 50 EHAA O=C(c1ccc(F)cc1)[C@H]1CCCN(Cc2nccn2C(F)F)C1 172586856 VKQYFFAVKMSYPL-ZDUSSCGKSA-N 337.345 3.512 0 50 EHAA Cc1n[nH]c(C)c1CC(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 225397638 LDEOCYBSANHQCS-GOSISDBHSA-N 340.471 3.526 0 50 EHAA Cc1nc(C(C)C)ccc1Cn1nc(C)c([C@@H]2CCCC(=O)N2)c1C 664094944 GGHOPKNLOVLCJR-SFHVURJKSA-N 340.471 3.716 0 50 EHAA CO[C@@H]1CCC[C@@]12CCCN(C(=O)CCc1ccc(F)cc1F)C2 1704298764 JZXMOHCEKYXYIE-MJGOQNOKSA-N 337.410 3.705 0 50 EHAA Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3)n2)c1 5425739 LBZMROUSFNMHEG-UHFFFAOYSA-N 341.798 3.971 0 50 EHAA CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)C=C(C)C)C1 12052298 MFRCHMWRBOAPBA-FQEVSTJZSA-N 347.430 3.506 0 50 EHAA O=C(c1cn(C2CCCCC2)nn1)N1CCCC[C@@H]1c1cccnc1 12318712 NCYFESSRBQNPNW-GOSISDBHSA-N 339.443 3.546 0 50 EHAA Cc1cc(NCCCn2ccnc2)n2nc(C)c(-c3ccccc3)c2n1 12374423 OPHPPJIOVUMFOZ-UHFFFAOYSA-N 346.438 3.712 0 50 EHAA Cc1cc(C(=O)N2CCC[C@H](C(=O)c3cccc4ccccc34)C2)n[nH]1 12446109 VBXNGFARPUPXHH-INIZCTEOSA-N 347.418 3.606 0 50 EHAA CSCCC(=O)N1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 15076322 MQAORGZNYXWMFC-CYBMUJFWSA-N 325.861 3.514 0 50 EHAA COc1ccccc1-c1cccc(-c2ccn(CCn3cncn3)n2)c1 19842145 CUOJISBONJHDHW-UHFFFAOYSA-N 345.406 3.517 0 50 EHAA O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(Oc2cccnc2)cc1 19958331 ZUFRZWSBDOCERH-UHFFFAOYSA-N 348.358 3.784 0 50 EHAA C[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(F)c(O)c1 1857529361 IXXOJTFDEPVPSN-AWEZNQCLSA-N 342.414 3.618 0 50 EHAA C[C@]1(O)CCN(C(=O)c2ccc3[nH]ccc3c2)C[C@H]1Cc1ccccc1 213055401 RSEAJFMCHCATDB-KNQAVFIVSA-N 348.446 3.624 0 50 EHAA Cc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1C 2528220 AYUOVKILVZAKFO-AWEZNQCLSA-N 339.457 3.515 0 50 EHAA in-vitro Cn1c(NC(=O)c2cc(C(C)(C)C)on2)nc2cccc(Cl)c21 331785722 QZAHDPDNTTVDGF-UHFFFAOYSA-N 332.791 3.765 0 50 EHAA Cn1c(-c2ccc(NC(=O)[C@@H]3CCCCO3)cc2)nc2ccccc21 126041410 AWXQWZKNKFZTBH-SFHVURJKSA-N 335.407 3.748 0 50 EHAA COCc1cccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 253396093 YXQRUEJKCLHOPO-UHFFFAOYSA-N 349.434 3.729 0 50 EHAA CN(C)C(=O)c1cnc(NCCOC2CCCCCC2)c(Cl)c1 265452131 DMPZYFPYQAVZAT-UHFFFAOYSA-N 339.867 3.588 0 50 EHAA Cc1ccc(-c2c(C)nn3c(NC[C@H]4CCCO4)cc(C)nc23)cc1 5321495 LHVBCDKTGRGHNP-QGZVFWFLSA-N 336.439 3.912 0 50 EHAA C[C@@]12OC(=O)C3(CCCC3)[C@]1(c1ccccc1)OC(=O)C21CCCC1 1117147 GSMZNQUVFNRMIV-GHTZIAJQSA-N 340.419 3.875 0 50 EHAA O[C@@H](Cc1ccc(-c2cccc(OCCn3ccnc3)c2)cc1)C1CC1 2325755652 CTMYBARBXUDTQW-QFIPXVFZSA-N 348.446 3.943 0 50 EHAA COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1Br 38372 PWECWTPKNARGOE-UHFFFAOYSA-N 348.196 3.913 0 50 EHAA CC(=O)c1ccc(NC(=O)CCCC(=O)Oc2ccccc2F)cc1 136086 NREQXMBBCJDAAN-UHFFFAOYSA-N 343.354 3.743 0 50 EHAA Cc1cc(Br)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 311442 JAIAAJXFQZWHBT-STQMWFEESA-N 340.261 3.926 0 50 EHAA COc1ccc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=S)cc1 392206 ODPFTCACPAGJOW-UHFFFAOYSA-N 344.367 3.903 0 50 EHAA CCCC1=NN(C(=O)c2ccccc2Cl)[C@@](O)(C(F)(F)F)C1 447155 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COc1ccc(-c2nc3cc(C)ccc3cc2CNC[C@@H](C)O)cc1 11996163 XBCBRGIRJIXCIC-OAHLLOKOSA-N 336.435 3.689 0 50 EHAA O=C1N(Cc2ccc(F)cc2)CCC[C@]12CCN(C1CCCCC1)C2 12315567 FMFXJEPWMCGTQY-OAQYLSRUSA-N 344.474 3.973 0 50 EHAA COc1ccc(CCNC(=O)c2csc3ccccc23)cc1OC 13327973 LFYDTQRPPTZDEM-UHFFFAOYSA-N 341.432 3.891 0 50 EHAA CN(C)c1ncc(CN2CCC(Cc3ccc(F)cc3)CC2)s1 19112910 XSKMSTOUMCAZTD-UHFFFAOYSA-N 333.476 3.803 0 50 EHAA COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1OC 36620865 OOLWEOAZEULAOM-QGZVFWFLSA-N 325.408 3.990 0 50 EHAA CC(C)Cc1cn(C2CCN(C[C@H](C)c3ccccc3)CC2)nn1 55108868 GHQNSLKQWNGPEU-KRWDZBQOSA-N 326.488 3.917 0 50 EHAA Cc1ccc(-c2cc(O)c3c(c2)CN(c2ncccn2)CCO3)s1 67805278 NFXNRLRIPVDMCH-UHFFFAOYSA-N 339.420 3.618 0 50 EHAA O=C(CCCc1cn[nH]c1)N1CCC[C@H](CCc2ccc(F)cc2)C1 71776759 QZJZORBTXSUJMU-QGZVFWFLSA-N 343.446 3.743 0 50 EHAA CC(C)n1cc(C(=O)N[C@H]2CCCC[C@@H]2OCc2ccccc2)cn1 77485653 AGRFGBOXFIUCFC-OALUTQOASA-N 341.455 3.722 0 50 EHAA OCc1cccc(C[C@@H]2CCN(Cc3ccc(OC(F)F)cc3)C2)c1 91951461 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LKCCWGLLIQJZJW-LLVKDONJSA-N 340.354 3.579 0 50 EHAA COc1ncc(C)cc1NC(=O)N1CC[C@H](C(F)(F)F)C1(C)C 252500513 SXBCGELMTYBNEW-NSHDSACASA-N 331.338 3.593 0 50 EHAA C(=C/c1ccccc1)\CN(Cc1nccs1)[C@H]1CC12CCNCC2 261660618 FRAUPTMYPQLYBG-UKTKYZJWSA-N 339.508 3.801 0 50 EHAA CC(C)(C)c1cc(C(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)nc(O)n1 299770312 PNPRCJMTCIQJGO-KBPBESRZSA-N 343.471 3.592 0 50 EHAA CCO[C@H]1C[C@H](N(C)C(=O)c2c[nH]c3cccnc23)C12CCCCC2 329886141 VRRCKBMBTZVZSB-IRXDYDNUSA-N 341.455 3.763 0 50 EHAA Cc1nn(C)cc1-c1csc(C(C)(C)NC(=O)OC(C)(C)C)n1 408521763 VUWAXNNQVUEQJZ-UHFFFAOYSA-N 336.461 3.612 0 50 EHAA Cc1cccc(Cl)c1CC(=O)N1CC(C)(C)[C@H]1c1nccn1C 452447542 KWNDBEOJOOSQML-MRXNPFEDSA-N 331.847 3.534 0 50 EHAA CC(C)c1csc(CCNC(=O)c2conc2-c2ccccc2)n1 584903358 MHYRJAZGTODFJF-UHFFFAOYSA-N 341.436 3.894 0 50 EHAA Cc1nc([C@H]2CCCN([C@@H](C(=O)O)c3ccc(F)cc3)C2)sc1C 652407366 JNGNUSQLXNLJDU-GOEBONIOSA-N 348.443 3.904 0 50 EHAA c1ccc2c(c1)CC1(CCOCC1)[C@@H]2NCc1ccc2c(n1)CCC2 656626210 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3.799 0 50 EHAA COc1cccc2cc(C(=O)Nc3ccc4nnc(C5CC5)n4c3)oc12 1875265132 IDYDCXSNUOPBTL-UHFFFAOYSA-N 348.362 3.614 0 50 EHAA Cn1nc(C(=O)N[C@]2(C)CC=CCC2)cc1-c1ccc(Cl)cc1 1875311278 SIMSANWXVJFUIF-GOSISDBHSA-N 329.831 3.969 0 50 EHAA O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(-c2cccc(F)c2)cc1 952969733 MXZJXCXHFIBTQF-KRWDZBQOSA-N 327.355 3.572 0 50 EHAA COCc1nccc(N[C@H]2CCOc3c2ccc(Cl)c3Cl)n1 893472597 NQHWELMJVFZDTO-NSHDSACASA-N 340.210 3.866 0 50 EHAA Cc1cc(N2C[C@H]3CCN(Cc4cc5ccccc5o4)[C@H]3C2)ccn1 1565529078 CDMGTVVLKUAQHJ-XLIONFOSSA-N 333.435 3.847 0 50 EHAA CSCc1ccccc1NC(=O)c1cnn(-c2ccccn2)c1C 186116230 DJYMZHWBDWMSNX-UHFFFAOYSA-N 338.436 3.691 0 50 EHAA CN1C(=O)N(c2ccc3[nH]c(C(F)F)nc3c2)C(=O)C12CCCCC2 278134598 MVZUDTPYZVPOGR-UHFFFAOYSA-N 348.353 3.602 0 50 EHAA C[C@@H](NCc1ccc(Oc2cccnc2)c(F)c1)c1ccnn1C 192732514 IXSJMXAUQYIBDU-CYBMUJFWSA-N 326.375 3.597 0 50 EHAA COc1ccc(NC(=O)c2cc(C(=O)O)co2)cc1OC1CCCC1 758847041 VUIKFMARIRQLEX-UHFFFAOYSA-N 345.351 3.560 0 50 EHAA CC1=CC2(CCN(C(=O)c3cc(-c4ccccc4)no3)CC2)OCC1 1704302625 QULQAORZHVJZOH-UHFFFAOYSA-N 338.407 3.683 0 50 EHAA CN(CC[C@H]1COCCO1)Cc1ccc(Oc2ccccc2)cc1 1775979625 XMOSMXCBXSFDQB-FQEVSTJZSA-N 327.424 3.716 0 50 EHAA c1cc2c(cc1-c1nn3c(C4CCCCC4)nnc3s1)OCCO2 11279321 SHMFVGKBYIOOMC-UHFFFAOYSA-N 342.424 3.672 0 50 EHAA COc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C2CC2)cc1 16661382 IGVZBOPRKVLQPT-UHFFFAOYSA-N 348.406 3.714 0 50 EHAA CCCCc1nc(CN2[C@H]3CC[C@@H]2[C@](CC)(CO)C3)c(Cl)[nH]1 1857676867 UUONXRYXQMRSOT-QEORTHHSSA-N 325.884 3.531 0 50 EHAA CC[C@]12COC(=O)N1CCN(c1cc(C)c3ccc(Cl)cc3n1)C2 1857713121 FFCOXSJMQPSVSE-SFHVURJKSA-N 345.830 3.618 0 50 EHAA CCC(CC)n1ncc(C(=O)N2C[C@@H](O)C[C@H]2c2ccccc2)c1C 408520847 OUIRUJSTKKMMQM-HKUYNNGSSA-N 341.455 3.501 0 50 EHAA Cc1cc2occ(CC(=O)NCc3cccnc3)c2c(C)c1Cl 4865725 YEURNEDYDHUTTN-UHFFFAOYSA-N 328.799 3.957 0 50 EHAA CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc2c(c1)OCO2 253432126 WNZSXUVJTFCEOF-HXUWFJFHSA-N 343.398 3.953 0 50 EHAA 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345.350 3.644 0 50 EHAA Cc1ncc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 331513867 JJHAWRYJGKPJPR-ZIAGYGMSSA-N 337.345 3.803 0 50 EHAA Cc1cc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)c2n[nH]cc2c1 344549468 SQIJQGMTYGCNKC-NSHDSACASA-N 341.361 3.909 0 50 EHAA C[C@H](NC(=O)c1cc2c(nc1O)CCCCC2)c1ccc(Cl)cn1 356732427 XSGHGKNHMTYTNF-NSHDSACASA-N 345.830 3.596 0 50 EHAA O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@H]1c1nccs1 364258721 FVFCXMBWOMVEKT-INIZCTEOSA-N 346.477 3.597 0 50 EHAA CCS(=O)(=O)CCCCCN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 367157876 QDYMEZZXUOPZEX-AQNXPRMDSA-N 349.540 3.860 0 50 EHAA CCC(=O)Nc1cc(Cl)ccc1C(=O)N[C@@H](C)c1ccc(C)nc1 822535019 QLTDEEAGZKWEAL-LBPRGKRZSA-N 345.830 3.883 0 50 EHAA CC(C)c1nc(CNC(=O)CSC23CC4CC(CC(C4)C2)C3)no1 828032044 LAEBFXGHKQCIPA-UHFFFAOYSA-N 349.500 3.511 0 50 EHAA Cn1nc(C(F)F)cc1C(=O)Nc1cccc(CN2CCCCC2)c1 828147035 KMJLWSOKPBWXKY-UHFFFAOYSA-N 348.397 3.596 0 50 EHAA C[C@@H](Oc1cccc(Cl)c1)c1nnc(/C=C/c2cnn(C)c2)o1 1323093465 RKVANQSHYPMQPR-XUIVZRPNSA-N 330.775 3.767 0 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Cc1cccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 10448395 WIYDSHGMBSRCSZ-UHFFFAOYSA-N 344.263 3.921 0 50 EHAA Cc1ccc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 12298419 XQTYSIPQLKEUKK-NRFANRHFSA-N 327.443 3.951 0 50 EHAA Fc1ccc(CNC(=S)Nc2ccn(Cc3ccccc3)n2)cc1 17071250 HJPHETNDWUGKPQ-UHFFFAOYSA-N 340.427 3.557 0 50 EHAA c1ccc(-c2cccc(N3CCC(N[C@@H]4CCCNC4)CC3)c2)cc1 20168117 YURITSCHFAZWOJ-OAQYLSRUSA-N 335.495 3.664 0 50 EHAA CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 21289032 KFHMLBXBRCITHF-UHFFFAOYSA-N 330.189 3.573 0 50 EHAA in-vivo O=C(COC(=O)c1cccc([C@@H](O)c2ccccc2)c1)c1ccccc1 22205228 BQUKJQJCPGDBQT-NRFANRHFSA-N 346.382 3.808 0 50 EHAA Fc1ccc(N2CCN(Cc3ccccc3Br)CC2)cc1 53206496 XTFFKQIKCKVFGY-UHFFFAOYSA-N 349.247 3.910 0 50 EHAA Fc1ccc(CN2CCC[C@@]3(CCN(c4nccs4)C3)C2)cc1 72129597 UZWIRYJKUNEIHA-GOSISDBHSA-N 331.460 3.775 0 50 EHAA COc1ccc(NC(=O)c2ccccc2[C@H]2CCNC2)cc1Cl 72158167 LAPNARKBHQZJSN-LBPRGKRZSA-N 330.815 3.678 0 50 EHAA CC(C)CN1CCN(Cc2ccc(F)c(C(F)(F)F)c2)[C@H](C)C1=O 72163937 DUSVPNLIFSFXNZ-GFCCVEGCSA-N 346.368 3.533 0 50 EHAA Cc1cc(CNc2cc(-c3ccccc3)nc3c(C)c(C)nn23)no1 72410425 ZNRAECHIZCHDPO-UHFFFAOYSA-N 333.395 3.922 0 50 EHAA Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@@H](N(C)C)C1 72419050 ZIUGKSLDDKHZRW-CQSZACIVSA-N 333.863 3.829 0 50 EHAA COc1ccc(C2(C(=O)N(C)Cc3cccc4cnccc34)CC2)cc1 77358317 YRVYQPBHSIYQHL-UHFFFAOYSA-N 346.430 3.934 0 50 EHAA Cc1ccc(OC[C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)cc1 77518765 RKQYUSBAMGQIJK-INIZCTEOSA-N 344.480 4.000 0 50 EHAA Cc1c([C@H](C)NC(=O)c2ccnc(C(C)C)n2)cnn1-c1ccccc1 91326682 BDJREVANRBOZFX-AWEZNQCLSA-N 349.438 3.585 0 50 EHAA O=S(=O)(C1CC1)N1CCCC(c2ccccc2)(c2ccccc2)C1 91830172 KTMUBVIWVOSXOM-UHFFFAOYSA-N 341.476 3.561 0 50 EHAA CN(Cc1ccccc1-n1cccn1)C(=O)c1ccc2ccn(C)c2c1 95502591 AWUHPCNESNLTQZ-UHFFFAOYSA-N 344.418 3.636 0 50 EHAA O=C(NCC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)o1 97694968 PMUXWENOKYXGMX-OAHLLOKOSA-N 332.831 3.575 0 50 EHAA O=C(CC1=CSC2=NCCCN12)N1CCCCC[C@@H]1c1ccco1 102222425 DFFHMWROTQJEDA-OAHLLOKOSA-N 345.468 3.763 0 50 EHAA c1cc(CN2CCC(c3nnc4ccccn34)CC2)c2cc[nH]c2c1 120933287 PAQCFEVSSKWIMY-UHFFFAOYSA-N 331.423 3.590 0 50 EHAA CN(Cc1nc2ccccc2n1C)C(=O)c1cnoc1-c1ccccc1 137036529 OTUUCPQDAGRDKQ-UHFFFAOYSA-N 346.390 3.501 0 50 EHAA Cc1sc2nc(Cc3ccon3)[nH]c(=O)c2c1-c1ccc(F)cc1 150715195 LITDMQHBKKACMW-UHFFFAOYSA-N 341.367 3.678 0 50 EHAA CCCC[C@H](NC(=O)c1cccc(N2CCOC2=O)c1)C1CCC1 158705726 ZWSAOSGJPLLCSF-KRWDZBQOSA-N 330.428 3.732 0 50 EHAA Cc1cccn2cc(CC(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)nc12 170610991 XHIBGWYZMLQPJQ-WMLDXEAASA-N 337.423 3.560 0 50 EHAA C[C@@H](C(=O)N(C)Cc1ccc2c(c1)OCO2)c1cc2ccccc2o1 175921021 SGEAHIPIJNROEF-CYBMUJFWSA-N 337.375 3.924 0 50 EHAA O=C(c1cccc(O)c1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 182443607 QWQHDJSRFNYCQU-KRWDZBQOSA-N 347.418 3.802 0 50 EHAA FC(F)Oc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1 186450251 FQXCYGJANJOTMH-LJQANCHMSA-N 331.362 3.919 0 50 EHAA Cn1cc([C@H](NCC2=Cc3ccccc3OC2)c2ccc(F)cc2)cn1 187520211 JSVKUHBTADZDHK-OAQYLSRUSA-N 349.409 3.714 0 50 EHAA C[C@@]12CC[C@@H]3C[C@]1(C(=O)Nc1nc4ccccc4s1)OC[C@]32C 245241396 CPWPBRGGNXJFHL-QXNHNSEWSA-N 328.437 3.830 0 50 EHAA C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccsc1 252452606 QWZVPRKFQCPYDC-DOMZBBRYSA-N 344.436 3.641 0 50 EHAA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)C=C1CCC(C)(C)CC1 275228220 DPDNRLTWLOPYFX-LPHOPBHVSA-N 345.487 3.510 0 50 EHAA CC[C@H](NC(=O)c1cn(C2CC2)c(C)cc1=O)c1ccc(F)cc1F 282922659 CGDITLJMKFCVMN-KRWDZBQOSA-N 346.377 3.651 0 50 EHAA COc1cc2c(cc1OC)CN(c1ccncc1-c1cccnc1)CC2 328586890 AIFQRFBZZPLIKV-UHFFFAOYSA-N 347.418 3.724 0 50 EHAA CC(C)CC[C@H](NCc1ccccc1CN1CCC(O)CC1)C1CC1 338779778 LKOXCHHRUNBGLM-QFIPXVFZSA-N 344.543 3.948 0 50 EHAA C[C@@H](NCC1(c2ccc(Br)s2)CCC1)[C@H]1CCOC1 375894263 CXJMTKALWWDQOG-NEPJUHHUSA-N 344.318 3.947 0 50 EHAA CC1(C)Cc2cc(NC(=O)NC3CCN(C(C)(C)C)CC3)ccc2O1 408272465 DKJKFEOHCFZVGL-UHFFFAOYSA-N 345.487 3.785 0 50 EHAA CC[C@H](C)C(=O)Nc1cccc(C(=O)N2CCc3ccccc3C2)c1 822559349 NEMMQJKMOHAVFD-HNNXBMFYSA-N 336.435 3.870 0 50 EHAA CC[C@@H](C)C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1 822559351 NVMCIJBIORMVJU-CYBMUJFWSA-N 342.464 3.931 0 50 EHAA COc1cccc([C@H]2CCN2CC2=Cc3cccc(OC)c3OC2)c1 824774859 GOTLCOPXAYSSHG-LJQANCHMSA-N 337.419 3.927 0 50 EHAA O=C(O)[C@@H](CNC1CCC(c2ccc(F)cc2)CC1)C1CCOCC1 888099781 QIVRLRCYVLVOFM-PPSBMQLTSA-N 349.446 3.569 0 50 EHAA COc1ccc(-c2noc([C@H](Oc3ccccc3)C(C)(C)O)n2)cc1 895959507 XFCNYUZWSCYWGT-INIZCTEOSA-N 340.379 3.636 0 50 EHAA Cc1nc([C@@H]2CCN(Cc3ccc(OCc4ccccc4)cc3)C2)no1 931947636 BHUXHADQDFYHAZ-LJQANCHMSA-N 349.434 3.947 0 50 EHAA CCC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc(Cl)c1O 1209231436 SWLBPRQWLCVXOU-WCQYABFASA-N 331.865 3.683 0 50 EHAA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNc2nc(C)ncc2Cl)n1 1772701774 RNQSIYIGKIXDHM-QMMMGPOBSA-N 347.772 3.710 0 50 EHAA Cc1nccc(-c2cccc(NC(=O)c3cnc(C4CC4)nc3C)c2)n1 1875280545 UQPAGFDXJUSTQS-UHFFFAOYSA-N 345.406 3.680 0 50 EHAA C[C@H]1Cc2ccccc2N1CCNC(=O)c1ccc(F)cc1C1CC1 1875336429 ZRHVWMSFGJKEGN-AWEZNQCLSA-N 338.426 3.884 0 50 EHAA O=C(c1ccc(-c2ccc(O)cc2)cc1)N1[C@H]2CCC[C@@H]1C[C@H](O)C2 2356147426 VUGXYPJWTCKOPL-RUYXUALKSA-N 337.419 3.577 0 50 EHAA CCOC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 29627 MQWCWGLMDFDBBN-UHFFFAOYSA-N 348.196 3.878 0 50 EHAA CCc1cccc(CC)c1NC(=O)Cn1c(=O)sc2ccccc21 44768 VFJQKBFRFPUPIB-UHFFFAOYSA-N 340.448 3.827 0 50 EHAA O=C(NC[C@@H]1CCCO1)[C@H](Sc1ccccc1)c1ccccc1 194949 OLDLFKGUYGCCDZ-FUHWJXTLSA-N 327.449 3.815 0 50 EHAA O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12 291656 HJUXGLLHBMPOHN-UHFFFAOYSA-N 332.403 3.929 0 50 EHAA CCN1C(=O)[C@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 319231 MVFYXVNNDVVESH-QFIPXVFZSA-N 345.398 3.667 0 50 EHAA CN(C)c1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 452378 ATPVDWIJPOZRDW-UHFFFAOYSA-N 333.844 3.533 0 50 EHAA CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)cc2)c1 465132 COFQNVKNFAOPPV-FMIVXFBMSA-N 325.364 3.524 0 50 EHAA COc1ccc(OCCCC(=O)Nc2cccc(C(C)=O)c2)cc1 1778324 IEORBFSRLGIRGY-UHFFFAOYSA-N 327.380 3.696 0 50 EHAA CCCCN1C(=O)S/C(=C\c2cc(Cl)c(O)c(OC)c2)C1=O 2815955 WMDSDQJQFQKNHI-WQLSENKSSA-N 341.816 3.891 0 50 EHAA COc1cccc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)c1 3903060 HHUPSBXCBIDHMR-QFULKBQASA-N 328.368 3.890 0 50 EHAA CCCCN1C(=O)c2cccc3cc(Br)cc(c23)C1=O 4891193 TUXXQFQBFLCEEI-UHFFFAOYSA-N 332.197 3.998 0 50 EHAA Cc1cc(=O)oc2cc(NC(=S)N3C[C@H](C)C[C@@H](C)C3)ccc12 6399697 GXFYWXNKLZRAAG-VXGBXAGGSA-N 330.453 3.776 0 50 EHAA O=C(CCC(=O)N1CCCCC1)Nc1ccc(Cl)c(Cl)c1 6700959 RXTFZGZTVBDRQC-UHFFFAOYSA-N 329.227 3.725 0 50 EHAA CCn1c(SCc2cccc(OC)c2)nnc1-c1ccccn1 6730408 QGKWGHQBDJDQEN-UHFFFAOYSA-N 326.425 3.661 0 50 EHAA COc1cc(NC(=O)c2cc(F)cc(F)c2)c(OC)cc1Cl 7406029 GCZBEIUMQRAKEL-UHFFFAOYSA-N 327.714 3.888 0 50 EHAA CCCn1c(S)nnc1-c1ccc(OC(F)F)c(OCC)c1 8475269 CAURIVXRRDHEQF-UHFFFAOYSA-N 329.372 3.644 0 50 EHAA CCN1CCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 12317099 WRGTWRHNXLHNHA-UHFFFAOYSA-N 348.450 3.900 0 50 EHAA OCCn1ccc(-c2cccc(-c3cc(C(F)(F)F)ccn3)c2)n1 20866775 RBEGMVJQKUIBHU-UHFFFAOYSA-N 333.313 3.623 0 50 EHAA COc1cccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 44920454 FITZICAYEQTBDW-QGZVFWFLSA-N 337.379 3.675 0 50 EHAA CC(C)Cc1cn(C2CCN(C(=O)C3CCCCCC3)CC2)nn1 48170682 XUAHLXCAYUJVKZ-UHFFFAOYSA-N 332.492 3.611 0 50 EHAA CCC[C@H](C)c1nnc(NC(=O)c2c(C)nc3sccn23)s1 55244857 GWNBNCWVZDGSLU-QMMMGPOBSA-N 335.458 3.712 0 50 EHAA CCc1ocnc1C(=O)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 65398651 CDURGNGJLJBRDC-HXUWFJFHSA-N 338.407 3.708 0 50 EHAA CCOC(=O)CCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71749006 JJDFGOWXSVFPJM-OAHLLOKOSA-N 346.254 3.710 0 50 EHAA Cc1csc(CNc2cc(-c3ccc(F)cc3)nc3ccnn23)n1 72430011 XFUXJVBHMMAJQV-UHFFFAOYSA-N 339.399 3.912 0 50 EHAA O=C(C1CCCCCC1)N1CCC(c2nccn2CC2CC2)CC1 82121793 AXQRYOADMGVTKE-UHFFFAOYSA-N 329.488 3.970 0 50 EHAA O[C@H](CNC1CCN(c2ccc(Cl)cc2)CC1)Cc1ccccc1 132080443 IKEGOVMZVUOXCR-FQEVSTJZSA-N 344.886 3.502 0 50 EHAA CC[C@@H](NC1CCC2(CC1)C(=O)Nc1ccccc12)c1ccncc1 163783310 DUPOOIXWCVZNQI-NCYVPVAZSA-N 335.451 3.955 0 50 EHAA Cc1cn(-c2ccccc2)nc1NC(=O)c1cncc(OC(C)C)c1 164694057 JFXCFGKBCNEZAO-UHFFFAOYSA-N 336.395 3.615 0 50 EHAA COCCc1ccccc1NC(=O)N1CCO[C@@H](c2ccsc2)C1 189444855 TZEGMKIDVIUYHT-QGZVFWFLSA-N 346.452 3.542 0 50 EHAA C[C@@H](C(=O)OCc1cc2c(Cl)cccc2[nH]1)N(C)CC(F)(F)F 194579117 JHFPSYWHYMDAPX-VIFPVBQESA-N 348.752 3.747 0 50 EHAA O=C(c1cccc(-c2ncc[nH]2)c1)N(Cc1cccc(O)c1)C1CC1 216108972 CQVMTHPJRJAJRS-UHFFFAOYSA-N 333.391 3.587 0 50 EHAA Cc1cccc(NC2CCN(C(=O)c3nccc(Cl)c3F)CC2)c1 225428525 LCTWVRQGAMOXNR-UHFFFAOYSA-N 347.821 3.899 0 50 EHAA CC[C@@H](C(=O)N1CCC(C(=O)O)CC1)c1cccc(C(F)(F)F)c1 236952739 YATCAWFTNQQCHT-CQSZACIVSA-N 343.345 3.522 0 50 EHAA O=C(O)c1ccc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)o1 238011525 QYXFJMPSDSXMFX-OAHLLOKOSA-N 325.364 3.660 0 50 EHAA CC(C)OC(=O)NCc1ccc(NC[C@@H]2Cc3ccccc3O2)cc1 252483883 FKOSELRBYIBRAD-SFHVURJKSA-N 340.423 3.737 0 50 EHAA Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)c12 253396236 MIKFGQNPSNGWFX-QRQLOZEOSA-N 340.467 3.561 0 50 EHAA CC(=O)Nc1ccc(-c2noc(C[C@H]3CCO[C@@H](C(C)C)C3)n2)cc1 273817307 XHRSMRMTDZFMHJ-WMLDXEAASA-N 343.427 3.689 0 50 EHAA Cc1cc([C@@H]2CCCN2C(=O)c2ccnnc2)ccc1Br 280647012 BSRCLKUWJBLHDV-HNNXBMFYSA-N 346.228 3.525 0 50 EHAA CCCCn1nccc1NC(=O)N1CCCC[C@@H]1c1cc(C)on1 299764251 YUYOKUOPZJTITN-OAHLLOKOSA-N 331.420 3.739 0 50 EHAA Cc1cnc([C@@H](C)NCc2cn(-c3cccc(F)c3)nc2C)s1 414373781 ZWWCHIDOTOFZRP-CYBMUJFWSA-N 330.432 3.936 0 50 EHAA COCC1(CNC(=O)N(C)[C@H](C)c2cccc(OC)c2)CCCC1 534672388 ZCWYOEHDIXCNBQ-OAHLLOKOSA-N 334.460 3.604 0 50 EHAA Cc1c(NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)cnn1C1CCCC1 657450114 IQGLAPQJZVWVBP-HNAYVOBHSA-N 343.475 3.620 0 50 EHAA Cc1cccc(-c2n[nH]cc2CNC[C@@]2(O)CCCc3ccccc32)c1 731361076 YSTZHJODTURBLN-QFIPXVFZSA-N 347.462 3.699 0 50 EHAA C[C@@H](NC(=O)Nc1cc2n(n1)CCCC2)c1nc2ccccc2s1 806720189 MIFOSVVAYAFPTB-LLVKDONJSA-N 341.440 3.712 0 50 EHAA O=C(O)[C@H](c1ccc(F)cc1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 833172942 XSZZRLWGJMJNAH-QRVBRYPASA-N 343.398 3.540 0 50 EHAA Oc1nc2ccccc2cc1CNCC1(N2CCCCC2)CCCC1 952974818 NKPZXSDFSXTODH-UHFFFAOYSA-N 339.483 3.829 0 50 EHAA Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccc(-c2nnco2)cc1 1336497688 SKNSPWFCVIDTCR-UHFFFAOYSA-N 339.395 3.866 0 50 EHAA CC[C@@H](NCc1ccc(OC)c(OCC(=O)O)c1)c1ccc(C)cc1 1506400487 VXDMRUZBTONNJI-QGZVFWFLSA-N 343.423 3.708 0 50 EHAA CCCCn1ncc(C)c1NC(=O)CCC(=O)NC1CCCCCC1 1506405524 JQNCBVBHRHQRCG-UHFFFAOYSA-N 348.491 3.549 0 50 EHAA CN(C)Cc1ccc(Cn2ccnc2-c2cnc(C(C)(C)C)nc2)cc1 1857695906 DMTQTJKBOUMVGF-UHFFFAOYSA-N 349.482 3.748 0 50 EHAA CCc1nnc([C@@H](C)n2cc(-c3cccc(Cl)c3Cl)nn2)o1 1875281850 ANIPHNSDRQPWQV-MRVPVSSYSA-N 338.198 3.807 0 50 EHAA CC(C)c1ccccc1OCC(=O)NC1CC2(C1)C(F)(F)C21CC1 1875318076 DBGSGSCOPIFHFO-UHFFFAOYSA-N 335.394 3.883 0 50 EHAA FC(F)(F)c1cc(OCc2cc3n(n2)CCCC3)nc2c1CCC2 1875341860 LJARIQYEXHKDGT-UHFFFAOYSA-N 337.345 3.701 0 50 EHAA C[C@H]1Cc2cc(C(=O)Nc3ccc4[nH]nc(Cl)c4c3)ccc2CN1 2325856812 DHBIMIUNHGTQEI-JTQLQIEISA-N 340.814 3.503 0 50 EHAA CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1ccn2c1CNCC2 2325856925 IMSIZXDRTRGEQT-UHFFFAOYSA-N 345.446 3.531 0 50 EHAA CCc1nnc(NC(=O)COc2ccc(-c3ccccc3)cc2)s1 112251 FWQBREGCSUNSJM-UHFFFAOYSA-N 339.420 3.785 0 50 EHAA C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc3ccccc3n2)C1=O 229717 CCHODWZWDSSKRR-RHSMWYFYSA-N 330.387 3.918 0 50 EHAA O=C(COc1ccc(Br)cc1)Nc1ccc(F)cc1F 299607 JMEDKMHVJJXLGQ-UHFFFAOYSA-N 342.139 3.745 0 50 EHAA Nc1nnc(SCc2ccc(OC(F)(F)C(F)F)cc2)s1 306358 BNLYAQIJZVJRRV-UHFFFAOYSA-N 339.339 3.649 0 50 EHAA O=C(O)CCCc1ccc(Cc2ccc(CCC(=O)O)cc2)cc1 409787 IBSOZFYWSJJARO-UHFFFAOYSA-N 326.392 3.702 0 50 EHAA COc1ccc(O[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1 1480441 PGDQDKBCXAJABB-LBPRGKRZSA-N 340.634 3.543 0 50 EHAA Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 555045 KGMXPZLUFVPRMG-KRWDZBQOSA-N 340.492 3.824 0 50 EHAA Nc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1ccccc1Cl 608557 IAQHYYUXCPMYMD-UHFFFAOYSA-N 333.178 3.523 0 50 EHAA CCOc1ccccc1C(=O)Nc1ccn(Cc2ccc(C)cc2)n1 1054118 WPGFQETYJCPWIP-UHFFFAOYSA-N 335.407 3.891 0 50 EHAA CC(C)CNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 1216899 CIWPWTPVYQWVQM-UHFFFAOYSA-N 330.815 3.978 0 50 EHAA Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1Cl 2812050 OQUYVSPZHUNJPR-LBPRGKRZSA-N 346.789 3.779 0 50 EHAA CCOc1ccc(C(=O)NCCCc2ccccc2)cc1OCC 2845318 CBDBDEDVMAPHQW-UHFFFAOYSA-N 327.424 3.847 0 50 EHAA COc1ccccc1NC(=O)[C@@H](C)N1C(=O)c2cccc3cccc1c23 2870530 NPLZCTSQALJYMI-CYBMUJFWSA-N 346.386 3.836 0 50 EHAA COc1cc2c(cc1-c1cc(C)cc(CN3CCCC3)c1)OCO2 2356168515 HGMLLCPBRHOGTE-UHFFFAOYSA-N 325.408 3.995 0 50 EHAA Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1ccc2ccccn12 2356169626 FIRXYBFKFVTSGX-SFHVURJKSA-N 336.439 3.529 0 50 EHAA COc1cc2c(c(OC)c1)[C@@H](c1c(F)cccc1Cl)CC(=O)N2 4488822 RUGGCLFBCSHDIF-SNVBAGLBSA-N 335.762 3.970 0 50 EHAA COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2C)c1 4857402 HQTFOKVWHZXZQB-SFHVURJKSA-N 349.386 3.593 0 50 EHAA CN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 4858584 CYRHIRFWTXFDQF-OAHLLOKOSA-N 325.751 3.621 0 50 EHAA CC1=C(C)C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C(=O)O)C1 4892877 ZSCYJINYFFACSA-NEPJUHHUSA-N 325.767 3.865 0 50 EHAA O=C1CCCc2nc(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)sc21 116013310 CRXGZVZCJJENKO-IUCAKERBSA-N 348.374 3.683 0 50 EHAA CC[C@@H](C(=O)/N=c1/[nH]c2ccc(OC)cc2s1)c1ccccc1 9111639 QPUNPERLMNHKEY-CQSZACIVSA-N 326.421 3.859 0 50 EHAA O=C(Nc1cccc(Oc2ccccn2)c1)[C@H]1CCCc2[nH]ncc21 134441490 VEJYFHSMSZNHIA-HNNXBMFYSA-N 334.379 3.656 0 50 EHAA CN1C(=O)CC[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1c1ccccc1 20427403 ZDDHLHRNAORAMD-SJLPKXTDSA-N 342.826 3.888 0 50 EHAA C[C@@H]1C[C@H]1[C@@H](NC(=O)N(C)Cc1cnccn1)c1ccc(Cl)cc1 229843430 HRCLRKRJRRPZEZ-JLZZUVOBSA-N 344.846 3.669 0 50 EHAA O=C(CC1(n2cccc2)CCOCC1)Nc1cccc2cccnc12 409413126 DEGRINLDXANVEJ-UHFFFAOYSA-N 335.407 3.571 0 50 EHAA COc1cc(F)cc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)c1 125079299 BKLIEDQKTHKSFB-UHFFFAOYSA-N 345.349 3.819 0 50 EHAA Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H](C)OC[C@H]1CCCCO1 239807504 CSLMZEFWMYEMKY-UXLLHSPISA-N 349.471 3.692 0 50 EHAA Cc1cc(Cl)cc2c(N3CCO[C@@H](C(F)(F)F)C3)ccnc12 71754094 VRKIPFBBKGEAJY-CYBMUJFWSA-N 330.737 3.964 0 50 EHAA O=C(c1ccccc1Oc1ccccc1)N1C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1 71439401 SFMXHAROGQFCLS-KJWXAFIESA-N 335.403 3.728 0 50 EHAA COc1ccccc1C1=NO[C@@H](C(=O)Nc2ccccc2SC)C1 6738295 XZVIFCYQWBTCJZ-MRXNPFEDSA-N 342.420 3.549 0 50 EHAA Cc1scc(-c2nnc(SCCN3CCCCC3)n2C)c1C 6825328 MTGZDBFOUBWHPS-UHFFFAOYSA-N 336.530 3.738 0 50 EHAA O=C(c1cccc(Cn2ccnc2)c1)N1CCc2c(Cl)cccc21 343757568 GRNYEXMWHVBGMU-UHFFFAOYSA-N 337.810 3.788 0 50 EHAA CC(C)c1nc(CN(C)C(=O)c2ccc(-n3ccnc3)cc2)cs1 77356406 DBCAJAMDEOHCDD-UHFFFAOYSA-N 340.452 3.724 0 50 EHAA O=C(Nc1cc(F)ccc1F)c1cccc(Oc2ncccn2)c1 77137479 XTFFJUDDKRXPQN-UHFFFAOYSA-N 327.290 3.799 0 50 EHAA O=C(c1ccncc1F)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 179002234 TZCIQMYXYMGAET-APWZRJJASA-N 342.414 3.729 0 50 EHAA COc1ccc(-c2cc(C(=O)Nc3cc(C(C)(C)C)on3)no2)cc1 17071373 STOCBWBEIYHTFH-UHFFFAOYSA-N 341.367 3.888 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@H](Cc2ccc(Cl)cc2)[C@@H]1C(=O)O 221038450 WGOZBWNNXCXPKD-TZMCWYRMSA-N 339.819 3.593 0 50 EHAA O=C(N[C@@H](c1ccccc1)c1ccco1)N1CCC2(CCCO2)CC1 426618411 WBAOPBNPWNTYHV-SFHVURJKSA-N 340.423 3.724 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](c3nccn3C(C)C)C2)ccc1F 95369625 HGXILKPUONXTER-MRXNPFEDSA-N 329.419 3.931 0 50 EHAA Cc1oc(C(C)C)cc1C(=O)N1CC[C@@]2(CCCN(C(C)C)C2=O)C1 91616457 WXFCHTNZEZFBEK-FQEVSTJZSA-N 346.471 3.575 0 50 EHAA CCCCCc1ccc(-c2nccc(N3CC[C@@H](O)C3)n2)c(F)c1F 97729556 PJWRXYSBBFLQOA-CQSZACIVSA-N 347.409 3.726 0 50 EHAA Cc1ccc(CN(CCO)C(=O)Nc2cccc3c2CCC3)s1 95509250 IFTBRQWADWKHGF-UHFFFAOYSA-N 330.453 3.572 0 50 EHAA Cc1cc(F)c(CC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)cc1F 295569900 RBWWCUCVWNIUMN-INIZCTEOSA-N 333.382 3.519 0 50 EHAA Cc1nnc(-c2ccccc2-c2cccc(C(=O)N3CCCC3)c2)o1 96151089 KQZJJULEZPRYSW-UHFFFAOYSA-N 333.391 3.948 0 50 EHAA O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1cncs1 299802042 RISAKZCZRLUISU-OAHLLOKOSA-N 349.887 3.754 0 50 EHAA Cc1ccc(-c2cncc(C(=O)Nc3cnc4[nH]ncc4c3)c2)cc1 1157077635 BTMZNZHMGLPPRY-UHFFFAOYSA-N 329.363 3.581 0 50 EHAA CN(Cc1c[nH]nc1-c1cc2ccccc2o1)[C@H]1CC[C@H](O)CC1 1875264722 AQHOARVCMRNZEC-WKILWMFISA-N 325.412 3.558 0 50 EHAA CC(C)c1ocnc1CN1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 1336174546 QGXRCPHZKWLCSB-SFHVURJKSA-N 340.402 3.808 0 50 EHAA C[C@@H](C(=O)N1CCC[C@H](c2ccccn2)C1)c1ccc(F)cc1F 1347787538 OTMSIQUZNQJOFC-KGLIPLIRSA-N 330.378 3.870 0 50 EHAA Cc1n[nH]c(C)c1CCC(=O)NC1CCC(c2ccc(F)cc2)CC1 273115549 OSTBGOMCEWSOAI-UHFFFAOYSA-N 343.446 3.941 0 50 EHAA CCOCCOc1ccccc1NC(=O)N[C@H]1C[C@@H]1c1ccccc1 1565508655 YYKMWZPRYFCMMJ-AEFFLSMTSA-N 340.423 3.780 0 50 EHAA COc1ccc2nc(CN3CCc4ccc(O)cc4CC3)sc2c1 681405828 HWLKRPVIXFUQKS-UHFFFAOYSA-N 340.448 3.611 0 50 EHAA CCCn1cc(N[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)cn1 186318499 BVIYNGIUNIWNHT-LBPRGKRZSA-N 327.388 3.525 0 50 EHAA FC(F)(F)COCSc1nnc(NC2CCCCC2)s1 170617561 RERGDUZHMXPXCO-UHFFFAOYSA-N 327.397 3.911 0 50 EHAA CCO[C@H]1C[C@H](NC(=O)c2csc(-c3ccccc3)n2)C12CCC2 170638768 IHACLRDBFVSHPM-HOTGVXAUSA-N 342.464 3.888 0 50 EHAA Cc1ccc(NC(=O)c2cccc(O)c2)cc1C(=O)N1CCCCC1 279244253 UDEXQURTAGAGMN-UHFFFAOYSA-N 338.407 3.579 0 50 EHAA COc1ccc(/C=C/C(=O)Nc2c(C)ccc3nsnc23)cc1 444189 HLBKSRTZKRUEAC-UXBLZVDNSA-N 325.393 3.660 0 50 EHAA CC[C@]12C[C@@H]1CN(C(=O)C1(c3ccc(OC)c(OC)c3)CCCC1)C2 1772808650 XALBUKMPVHEEFQ-OXQOHEQNSA-N 343.467 3.774 0 50 EHAA CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(CC2CC2)C1 11770387 VJLFNOJENDORHC-FQEVSTJZSA-N 331.456 3.511 0 50 EHAA O=C(c1cc(F)c(F)cc1F)N1CCC[C@H](Nc2ccccc2)C1 12435370 DEMHMTLHARCEGI-ZDUSSCGKSA-N 334.341 3.821 0 50 EHAA O=C(C1CCOCC1)N1CCC[C@H](CCc2ccc(F)cc2F)C1 15071441 ZSIGDHWCLGRGGP-CQSZACIVSA-N 337.410 3.563 0 50 EHAA COc1cc(NC(=O)N2CCC[C@H]2c2ccco2)cc(OC)c1OC 15837938 SYFDZEMPJMSXRL-ZDUSSCGKSA-N 346.383 3.674 0 50 EHAA O=C(C(c1ccccc1)c1ccccc1)N1CCN(C2CCCC2)CC1 19831461 PXFWIVXKILQHQO-UHFFFAOYSA-N 348.490 3.905 0 50 EHAA O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc2ccccc2c1 19922527 SFGXIWSQLBGLGE-UHFFFAOYSA-N 346.430 3.924 0 50 EHAA COc1ccc(OCCn2c(=N)n(CC(C)C)c3ccccc32)cc1 19939833 YECYEVPQFUQQKP-UHFFFAOYSA-N 339.439 3.666 0 50 EHAA O=c1c2[nH]ccc2ncn1CC[C@H](c1ccc(F)cc1)c1ccco1 1857711272 QYKIYBVPZQBSAG-OAHLLOKOSA-N 337.354 3.679 0 50 EHAA Cc1c(Cl)c(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)nn1C 421463537 BIKFGQXHGYBRSU-CYBMUJFWSA-N 345.752 3.758 0 50 EHAA Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](c1ccccc1)c1ccncc1 131043328 DFOHYNRRQBGGMU-BFUOFWGJSA-N 335.407 3.696 0 50 EHAA CC(C)[C@H](c1nc(-c2ccc(O)cc2)no1)N1Cc2ccccc2C1=O 904306440 HTFJBUPZFNPIND-QGZVFWFLSA-N 349.390 3.795 0 50 EHAA CCc1nc2c(C(=O)N(C3CC3)[C@H](C)c3ccccc3)ccnc2[nH]1 931007978 VNHARRGCBFLERK-CYBMUJFWSA-N 334.423 3.886 0 50 EHAA Cn1ccc(NC(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)cc1=O 931637437 UNCBCRGOIAOPHP-SFHVURJKSA-N 337.423 3.535 0 50 EHAA Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](c1ccccc1)c1nc[nH]n1 935271814 PMHHLUOLCGRUCQ-MRXNPFEDSA-N 338.411 3.523 0 50 EHAA COc1ccc([C@@H]2CCCN2C(=O)c2nccc3occc23)cc1F 855743160 XJRDGKSZYCOSHT-HNNXBMFYSA-N 340.354 3.953 0 50 EHAA Cc1nc(CN2CCC[C@]3(CCCN(Cc4ccccc4)C3)C2)co1 72436290 MEBYCFMKGKMNQR-NRFANRHFSA-N 339.483 3.861 0 50 EHAA O=C(NCc1nc2c(s1)CCCC2)N1CCC(C(F)(F)F)CC1 926443165 OYORNKHMICWLFD-UHFFFAOYSA-N 347.406 3.506 0 50 EHAA COc1cc(-c2nc3sc(C)c(C)c3c(=O)o2)cc(OC)c1OC 235450 YTWHVESSMWELBT-UHFFFAOYSA-N 347.392 3.559 0 50 EHAA COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NC(C)C 2879254 QCZIWCKOSOLXMT-UHFFFAOYSA-N 346.814 3.739 0 50 EHAA COCCCNCCOCCOc1ccc(Cl)cc1C(C)(C)C 3003124 UWHNHEHALYKFPX-UHFFFAOYSA-N 343.895 3.659 0 50 EHAA CC(C)CC(=O)N[C@H](SC1=NCCS1)C(Cl)(Cl)Cl 4279184 DIKZVCFMBQYOSD-MRVPVSSYSA-N 349.736 3.681 0 50 EHAA O=Cc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)cs1 5667922 UNGGTZBXWHTXMQ-UHFFFAOYSA-N 338.388 3.640 0 50 EHAA COc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3F)on2)c1 6872225 FWNIHNYWTUUWKF-UHFFFAOYSA-N 330.290 3.881 0 50 EHAA CCCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1 13331456 PQVWJWLCENINDO-UHFFFAOYSA-N 332.444 3.802 0 50 EHAA CCCCN1C(=O)CC[C@@H]2CN(C/C=C/c3ccccc3)CC[C@@H]21 14878785 JQSWEHLTYVPMEX-YECZOLDGSA-N 326.484 3.813 0 50 EHAA Cc1cc(C)c(CN2CCc3nnc(-c4ccccc4)n3CC2)cc1C 14880063 AUCNUARGKRROIM-UHFFFAOYSA-N 346.478 3.929 0 50 EHAA Cc1oc(-c2ccoc2)nc1CN1CCN(c2ccccc2)C[C@@H]1C 15068793 INNUPVHTQLDAKS-HNNXBMFYSA-N 337.423 3.954 0 50 EHAA OCC[C@@H]1CN(Cc2ccccc2Cl)CCN1C1CCCCC1 20784049 MECDPAKQGGQAQO-GOSISDBHSA-N 336.907 3.541 0 50 EHAA CCOC(=O)c1csc(Cc2ccc(Br)cc2)n1 45028234 DUGFDLOSJSGBAZ-UHFFFAOYSA-N 326.215 3.673 0 50 EHAA COc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1O[C@@H](C)C(=O)O 55386844 MHQYERXYKVLYJB-LBPRGKRZSA-N 340.379 3.707 0 50 EHAA CCc1ccccc1NC(=O)c1cccc(NC(=O)c2ccnnc2)c1 55413839 WCMATKHMYZWBRH-UHFFFAOYSA-N 346.390 3.544 0 50 EHAA Cc1nc2ccccc2nc1CN1CC[C@@H](c2ccccc2C(=O)O)C1 72159268 YUKSIWIYYGUQAK-OAHLLOKOSA-N 347.418 3.626 0 50 EHAA CN(Cc1ccc(F)cc1)C(=O)c1cccc(CCC(C)(C)O)c1 72454625 USHJOPSCGLKNSA-UHFFFAOYSA-N 329.415 3.801 0 50 EHAA Cn1ccc2ccc(CN3CCC(CN4CCCCC4)CC3)cc21 77288080 XZHCFQPSWDPECB-UHFFFAOYSA-N 325.500 3.876 0 50 EHAA O=C(c1ccn(C(F)F)n1)N1CCCC[C@@H]1CCc1ccc(O)cc1 95363026 SMTSEMCIPMLVKF-CQSZACIVSA-N 349.381 3.611 0 50 EHAA CCO[C@H](C)c1ccc(-c2ccc(N3CCSCC3)nn2)cc1 97098930 BYDAIEDZDCFZNH-CQSZACIVSA-N 329.469 3.794 0 50 EHAA COc1ccc(-c2cc(O)n3nc(-c4ccc(F)cc4)cc3n2)cc1 100649976 YZUODYZDZQRDCQ-UHFFFAOYSA-N 335.338 3.917 0 50 EHAA Cc1ccc(N2CCC(c3nc(-c4cccs4)no3)CC2)nc1 113704015 MLLAJMGXIBTNKH-UHFFFAOYSA-N 326.425 3.886 0 50 EHAA CCS(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccc(C)n2)cc1 170604508 ORYWWCUOYZACEP-GOSISDBHSA-N 330.453 3.525 0 50 EHAA CN(C)C(=O)c1ccc(C(=O)N2CCCC3(CCCCC3)CC2)cc1 170605305 FSJHOUNQPPOKMI-UHFFFAOYSA-N 342.483 3.965 0 50 EHAA CCCCc1nc(CNc2cc(N3CCCC3=O)ccc2Cl)no1 172908239 STEKBMLZTJPMLM-UHFFFAOYSA-N 348.834 3.805 0 50 EHAA Cc1ncsc1C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C 187095876 GKYGUEAUKAJEML-IINYFYTJSA-N 336.844 3.707 0 50 EHAA O[C@H]1CN(c2ncc(Cl)cn2)CC[C@@H]1c1ccc2ccccc2c1 212363947 MYVNZQGNGKLEFP-MSOLQXFVSA-N 339.826 3.638 0 50 EHAA CCc1noc([C@@H]2CCCN2Cc2ccc3c(c2)CC(C)(C)O3)n1 215315182 BLASZWWEVNCWHY-HNNXBMFYSA-N 327.428 3.683 0 50 EHAA CC1(C)C[C@@](CCNC(=O)c2ccc[nH]2)(c2ccccc2)CCO1 219799815 UNWFFGIRJWMHJQ-FQEVSTJZSA-N 326.440 3.662 0 50 EHAA Cc1nc(N2CCC[C@@H](C)C2)nc2c1C(=O)C[C@H](c1ccco1)C2 229913693 XPVWTNBMFRKEBU-TZMCWYRMSA-N 325.412 3.527 0 50 EHAA Cn1cc([C@@H]2C[C@@H]2C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cn1 230083913 LIGYOFCMCJPLRS-FHWLQOOXSA-N 341.430 3.710 0 50 EHAA C[C@@H](NC(=O)N1CCCC[C@H]1c1ccnn1C)c1cccc(F)c1F 239653712 BKVQFPBWJDZXFL-WBMJQRKESA-N 348.397 3.696 0 50 EHAA CCOc1c(Cl)cccc1CC(=O)N[C@H](C)CCc1cccn1C 241707040 QMDPZHQAXPARMN-CQSZACIVSA-N 348.874 3.757 0 50 EHAA CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC(=O)[C@H]32)C1 253612528 VEIFMBQHUYNEPN-CDLYVEIGSA-N 346.467 3.709 0 50 EHAA O=C(O)C[C@@H]1CCCN(Cc2cc(Cl)cc3cccnc23)CC1 299744402 ONLRXDNCWAAMSR-CYBMUJFWSA-N 332.831 3.965 0 50 EHAA FC(F)(F)c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)nn1 301856401 RKENZDOUUWXNDL-CQSZACIVSA-N 336.361 3.572 0 50 EHAA COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1c[nH]c3ncccc13)[C@@H]2C 329280325 DPFKUFWYNVCBLX-UONOGXRCSA-N 349.434 3.648 0 50 EHAA Cc1ncoc1C(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 329812728 CMHLQDULVXOOPB-MRXNPFEDSA-N 326.396 3.641 0 50 EHAA C[C@H](C(=O)N1CCC(OC2CCCCC2)CC1)[C@H](N)c1ccccc1 408513556 GPWSWKHNXRSPFY-JXFKEZNVSA-N 344.499 3.663 0 50 EHAA CCNC(=O)Nc1cccc(NCc2ccnn2-c2ccccc2)c1C 408515129 BVJJVWSGLMXYOJ-UHFFFAOYSA-N 349.438 3.934 0 50 EHAA CC(C)(C)c1ccn(Cc2ncc(-c3cccc(Cl)c3)o2)c(=O)n1 408518452 IVSVGEBEVXNPGE-UHFFFAOYSA-N 343.814 3.898 0 50 EHAA CC(C)n1nccc1CN1CCC2(CC1)OCCc1ccccc12 453575676 LHBIWKNATORRLD-UHFFFAOYSA-N 325.456 3.528 0 50 EHAA CN1CC[C@H](CNC(=O)Nc2cc(F)ccc2Oc2ccccc2)C1 454705883 KSEFXCIEQLJXOP-CQSZACIVSA-N 343.402 3.691 0 50 EHAA Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc2c(c1)CCO2 825205136 BNNQMTQQBPYROV-KRWDZBQOSA-N 337.419 3.962 0 50 EHAA Cc1cc([C@@H]2CCCN2Cc2ccc(C(=O)O)c3cccnc23)no1 903887378 PQACFOMXEBHIJG-KRWDZBQOSA-N 337.379 3.567 0 50 EHAA CC(C)[C@@H](C(=O)Nc1n[nH]c2nc(O)ccc12)c1cccc(Cl)c1 1450525568 XHZPESKUIMXZEM-CQSZACIVSA-N 344.802 3.695 0 50 EHAA CCc1[nH]nc2ncnc(N3C[C@H](C)C[C@H]3c3cccc(F)c3)c12 1875339265 YWKKBUDOBGNXRW-ABAIWWIYSA-N 325.391 3.642 0 50 EHAA CC1(C)C[C@@]1(CNC1CCC2(CC1)C[C@H]2C(=O)O)c1ccccc1 1875404404 HTFFDDVUHCNYEC-HPAHXVRCSA-N 327.468 3.977 0 50 EHAA COc1ccnc(O)c1C(=O)N[C@@H](C)c1ccccc1-c1ccccc1 2325719586 MMQXTKCWBOVXMG-AWEZNQCLSA-N 348.402 3.954 0 50 EHAA O=C(NCCCc1cccc(O)c1)NC[C@@H]1CCCc2ccccc21 2325744587 VJWVHAAARXWJKO-SFHVURJKSA-N 338.451 3.744 0 50 EHAA Cc1csc(C[C@H]2CCCN2C(=O)N[C@@H]2CCC3(CCC3)C2)n1 2325791743 CQTWHESVYSWEJT-HUUCEWRRSA-N 333.501 3.891 0 50 EHAA O=c1cc(Sc2ccccc2Cl)nc(O)n1Cc1ccccc1 2325821406 MIUIEBJJHLBDHV-UHFFFAOYSA-N 344.823 3.802 0 50 EHAA CCC[C@@H](NC(=O)c1nnc2c(F)cccc2c1O)C1CCCC1 2325841907 JGIVOFKLRTWAIC-CQSZACIVSA-N 331.391 3.563 0 50 EHAA Clc1ccc(O[C@H]2CCN(c3nccc4cnccc34)C2)cc1 2325855118 ISJZFOYLVUVQOO-INIZCTEOSA-N 325.799 3.941 0 50 EHAA O=S(=O)(c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1 134236 UWPJWCBDMZHMTN-UHFFFAOYSA-N 340.400 3.804 0 50 EHAA in-vitro CCOC(=O)N1CCC(NC2c3ccccc3-c3ccccc32)CC1 217711 NUSMMSOYRFEEAI-UHFFFAOYSA-N 336.435 3.967 0 50 EHAA Cc1ccc2nc(NC(=S)NC(=O)c3ccc(F)cc3)sc2c1 361385 IJVWGPAYTNOVPD-UHFFFAOYSA-N 345.424 3.871 0 50 EHAA CCc1nnc(NC(=O)c2ccc(OCc3ccccc3)cc2)s1 373744 GGPHLFNPYNSQFU-UHFFFAOYSA-N 339.420 3.932 0 50 EHAA O=C(N[C@@H](Nc1ccccc1)C(=O)c1cccs1)c1ccccc1 373900 PZUBKFCRMFRKQC-GOSISDBHSA-N 336.416 3.799 0 50 EHAA COC(=O)[C@@H](C)Oc1ccc(-c2nccc(-c3cccs3)n2)cc1 1387090 SXBMQWSOGAWBQE-GFCCVEGCSA-N 340.404 3.812 0 50 EHAA CC(C)(C)C(=O)c1cn(CC(=O)NC2CCCC2)c2ccccc12 4757640 JLHBGBZHRPMSMW-UHFFFAOYSA-N 326.440 3.929 0 50 EHAA Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1F)N(C)C3=O 4838020 BBUVZXARBULUMO-KRWDZBQOSA-N 337.350 3.724 0 50 EHAA Fc1ccc(Cn2cc(NC(=S)NCc3ccccc3)cn2)cc1 13330350 IBFZNKLDBAMSKF-UHFFFAOYSA-N 340.427 3.557 0 50 EHAA C[C@H](c1ccon1)N(C)Cc1cn(C)nc1-c1cccc(Cl)c1 13594801 KYUVKPWTZHIBTB-GFCCVEGCSA-N 330.819 3.922 0 50 EHAA CCCCn1c(=N)n(CCOc2ccccc2OC)c2ccccc21 20069512 SKEYWFVHTUBBHY-UHFFFAOYSA-N 339.439 3.810 0 50 EHAA OCC[C@H]1CN(C2CCCCCC2)CCN1CCCc1ccccc1 20255824 JHNMICRYTPXFMK-QFIPXVFZSA-N 344.543 3.711 0 50 EHAA C[C@H](CCCC(C)(C)O)n1ccnc1-c1nc2ccccc2n1C 67805197 UIRNYOLUEOPTLL-CQSZACIVSA-N 326.444 3.939 0 50 EHAA Cc1nc(C)c(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)s1 68002722 SWALKDOUECUJAF-HNNXBMFYSA-N 340.452 3.624 0 50 EHAA CN(CCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 70915449 FBMGMJCITYNTQX-UHFFFAOYSA-N 339.391 3.732 0 50 EHAA CN1CCC(N(Cc2ccncc2)Cc2ccc3[nH]ccc3c2)CC1 72174338 VHVGGBICEJEQDM-UHFFFAOYSA-N 334.467 3.659 0 50 EHAA CCN(CC)C(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C 77389701 FMGXFANXWDONAS-UHFFFAOYSA-N 342.830 3.771 0 50 EHAA COCC[C@]1(CO)CCCN(Cc2ccccc2OC2CCCC2)C1 91475760 NMTFKWFZXAEEBL-OAQYLSRUSA-N 347.499 3.619 0 50 EHAA O=C(N1CCCC[C@@H]1CCc1cccs1)C1(Cn2cccn2)CC1 91535553 DMIWNVGPOURKOR-MRXNPFEDSA-N 343.496 3.739 0 50 EHAA Fc1ccc(OC2CCN(c3ccnc(C(F)(F)F)n3)CC2)cc1 91665876 HVLCEWBKVJZNDJ-UHFFFAOYSA-N 341.308 3.682 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 155026338 XTXWZHYICLKKDR-IINYFYTJSA-N 347.440 3.916 0 50 EHAA COc1ccc(C(=O)Nc2ccn(-c3ccccc3Cl)n2)cc1F 158636460 TZBHYWVDINLYQY-UHFFFAOYSA-N 345.761 3.926 0 50 EHAA Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1nc2c(s1)CCCCC2 170596293 VRNIMLVKEAPAJG-SNVBAGLBSA-N 347.488 3.645 0 50 EHAA CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 170621095 DADWHLXIRCZAOA-ACZWYYKOSA-N 327.399 3.944 0 50 EHAA Cc1nscc1C(=O)N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1 181744940 GFYASDTTZPDLPD-SFHVURJKSA-N 348.431 3.847 0 50 EHAA Cc1ncsc1C(=O)N1C[C@H](c2cccc(Cl)c2)OC[C@H]1C 187095911 GKYGUEAUKAJEML-QMTHXVAHSA-N 336.844 3.707 0 50 EHAA CN(Cc1ccccc1N1CCCC1)[C@H]1CCc2ccccc2NC1=O 191851312 YRPCOPIVJKBNDV-NRFANRHFSA-N 349.478 3.672 0 50 EHAA O=c1[nH]c(CSc2nc(-c3ccccc3)co2)nc2ccsc12 195096841 ULVSWZJYVJRNKW-UHFFFAOYSA-N 341.417 3.932 0 50 EHAA C[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCC1)Oc1cccnc1 219683065 VBTSYCLVJPSRJT-CQSZACIVSA-N 344.842 3.740 0 50 EHAA Brc1csc(-c2noc([C@@H]3CC34CCOCC4)n2)c1 225466125 MBWTWGSQNOZQFF-VIFPVBQESA-N 341.230 3.845 0 50 EHAA C[C@H](N)[C@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C1 237416232 FQULFCMFMSWKTK-RDBSUJKOSA-N 342.405 3.785 0 50 EHAA C[C@H]1CCc2c(C(=O)N3CCC[C@@H](CCC(=O)O)C3)csc2C1 237612569 SUPFUGOGGOMKCC-STQMWFEESA-N 335.469 3.590 0 50 EHAA CCc1cc(CN2CC[C@H](c3ccc4ccccc4c3)[C@@H](O)C2)on1 252370479 XZLNPRMKVBWNNP-RTWAWAEBSA-N 336.435 3.741 0 50 EHAA Cn1cc([C@@H](Nc2ncnc3sccc23)c2ccc(F)cc2)cn1 302398680 KNCMGLGSPVCYQO-HNNXBMFYSA-N 339.399 3.765 0 50 EHAA CC(=O)Nc1c[nH]c(C)c1C(=O)N[C@@H](C)c1cc2ccccc2s1 408514348 YTXGFUHEPJFTFB-JTQLQIEISA-N 341.436 3.987 0 50 EHAA COc1ccc(CN(C)C(=O)NC2CCCCC2)c2cccnc12 426526802 FBUFWFADNRSEFM-UHFFFAOYSA-N 327.428 3.718 0 50 EHAA Cc1ccc2cc(C(=O)N3CC[C@@H](Oc4ccccc4)C3)n(C)c2c1 426538068 IXNRXCIEVOJNGM-GOSISDBHSA-N 334.419 3.780 0 50 EHAA Cn1ncc2ccc(-c3noc(-c4cc5c(cc4O)CCCC5)n3)cc21 436934542 MBWOSLQGVPIQPJ-UHFFFAOYSA-N 346.390 3.875 0 50 EHAA C[C@@H](c1ccncn1)N(C)C(=O)NC1(c2ccc(Cl)cc2)CC1 584903872 VQXRMVOTNUWRTF-LBPRGKRZSA-N 330.819 3.522 0 50 EHAA Cc1oc(C(=O)N2CCC(C)(C)[C@@H](c3ccccc3)C2)cc1CO 887579630 WLAZIUKVSRTDGR-QGZVFWFLSA-N 327.424 3.736 0 50 EHAA O=C(O)C12CCC(C(=O)N3CCC[C@](F)(c4ccccc4)C3)(CC1)C2 910338037 QSEHGNYWFIEIBG-SOAGJPPSSA-N 345.414 3.509 0 50 EHAA CC(=O)c1[nH]c(C)c(C(=O)NCCSc2ccc(C)cc2)c1C 952967089 YULJPJSOYDLUNF-UHFFFAOYSA-N 330.453 3.665 0 50 EHAA C[C@@H](C(=O)N1CCC[C@@H](c2cccnc2)C1)c1ccc(F)cc1F 1350443280 IUXDNAPDANBGFL-UKRRQHHQSA-N 330.378 3.870 0 50 EHAA Cc1cc(CNC(=O)c2ccc(-c3nccc4ncccc34)cc2)no1 2356170285 WBQCYYIQDIMFFZ-UHFFFAOYSA-N 344.374 3.523 0 50 EHAA CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)CC1 197052 VOIHGAVMVPVGTC-RTWAWAEBSA-N 349.478 3.571 0 50 EHAA Cc1nc(NC(=O)c2ccc(C(C)C)cc2)sc1C(=O)N(C)C 484055 OPBXYURHSVRRLX-UHFFFAOYSA-N 331.441 3.529 0 50 EHAA COc1ccc(CNC(=O)CSc2cccc3cccnc23)cc1 548271 POTDUWJTPGAMLN-UHFFFAOYSA-N 338.432 3.652 0 50 EHAA COc1c(C)cc(Br)cc1C(=O)NCc1ccccc1 558556 RWVUUVLGHAEOKB-UHFFFAOYSA-N 334.213 3.696 0 50 EHAA Fc1ccc(NC(=S)Nc2ccc(Br)cn2)c(F)c1 611087 HYKZULOTUMIXCW-UHFFFAOYSA-N 344.184 3.931 0 50 EHAA COC(=O)c1ccccc1NC(=O)c1ccc(C)c(Br)c1 615444 NAPKCTVWLNTNFA-UHFFFAOYSA-N 348.196 3.796 0 50 EHAA COc1ccc(OC)c(NC(=O)CCCOc2ccc(C)cc2)c1 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3.944 0 50 EHAA CCc1ccc(CN(C(=O)c2c(C)c(C)c(C)[nH]c2=O)C2CC2)cc1 97475659 FXSFGXCKPDTYPZ-UHFFFAOYSA-N 338.451 3.667 0 50 EHAA O=C(O)C1(Oc2ccc3ccccc3c2)CCN(c2ccncc2)CC1 95521493 VAORDVLSXBXLPD-UHFFFAOYSA-N 348.402 3.737 0 50 EHAA C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253615027 SCPADBBISMMJAW-DCCUZPTMSA-N 336.516 3.502 0 50 EHAA CC(=O)c1ccc(F)cc1NC(=O)CCc1nc(C2CCCC2)no1 184855913 RJILPUYKJKMLTJ-UHFFFAOYSA-N 345.374 3.640 0 50 EHAA Cc1cc2oc(=O)c3c(c2c2c1[C@@H](c1ccco1)CC(=O)O2)CCC3 263585046 DNIYTHCTCMIODA-CYBMUJFWSA-N 336.343 3.624 0 50 EHAA biogenic CC(C)N1CCC(CC(=O)Nc2ccc(N(C)C)c(Cl)c2)CC1 952980703 AJIRXWWYQNDSIU-UHFFFAOYSA-N 337.895 3.855 0 50 EHAA C=CC(=O)Nc1cccc(C(=O)N[C@@H](C)C2CCC(F)(F)CC2)c1 869206176 HDIMXJXTPDXWRO-LBPRGKRZSA-N 336.382 3.755 0 50 EHAA CCOC(=O)[C@H](C)[C@@H](C)NC(=O)Nc1ncc(-c2ccccc2)s1 170595831 PQKILNDSSCIVHA-VXGBXAGGSA-N 347.440 3.519 0 50 EHAA O=C(Nc1cc(C(F)(F)F)ccn1)c1cncc(Br)c1 170593490 QSLJDAVCGAFOBE-UHFFFAOYSA-N 346.106 3.510 0 50 EHAA CC(C)(C)c1nc(CNc2cc(N3CCCC3=O)ccc2Cl)no1 172908269 GOAPQBXGGWKKIU-UHFFFAOYSA-N 348.834 3.759 0 50 EHAA Oc1ccc(OC(F)(F)F)cc1-c1ccc(N2CCOCC2)cc1 1244458672 DKGQWCWGBQXWFZ-UHFFFAOYSA-N 339.313 3.794 0 50 EHAA Cc1ncsc1CN(C)[C@H](C(=O)O)c1ccccc1C(F)(F)F 652409426 ZPNZBEHNNIWMIE-ZDUSSCGKSA-N 344.358 3.728 0 50 EHAA CCn1ncc(C)c1NC(=O)[C@H](c1ccc(F)cc1)N1CCCCC1 1529173911 RKARTGKWLQVDAP-KRWDZBQOSA-N 344.434 3.516 0 50 EHAA COCCN1CCC[C@@H](CNc2cc(C)nc3c(F)cc(F)cc23)C1 1529120865 QFJUMQHQRIYUJD-AWEZNQCLSA-N 349.425 3.592 0 50 EHAA O=C(/C=C/c1cccc(Cl)c1)N1CCN(c2ccccc2)CC1 434006 IMPYGCSQYHXEKH-MDZDMXLPSA-N 326.827 3.702 0 50 EHAA Fc1cccc(OCc2nc(CC3=CCCC3)n([C@H]3CCOC3)n2)c1 1772813279 WJROSLRAMREWBM-INIZCTEOSA-N 343.402 3.610 0 50 EHAA O=C(NC1CCCCCC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 12607927 UURHUWQQYXCXRK-INIZCTEOSA-N 346.446 3.517 0 50 EHAA COc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cc1 169773163 SUVYUOZQPTVPPQ-UHFFFAOYSA-N 348.406 3.542 0 50 EHAA CC1=[N+](CCCCS(=O)(=O)O)c2ccc3ccccc3c2C1(C)C 3168003 GJCURKVOCXJAIV-UHFFFAOYSA-O 346.472 3.904 0 50 EHAA in-vitro NC(=O)c1csc(CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 449453015 VVQVEAPNJGAEOT-OAHLLOKOSA-N 338.835 3.880 0 50 EHAA Cc1ccc(NC(=O)c2ccccc2Br)cc1C(=O)O 110987035 WHGUELZSGXBCST-UHFFFAOYSA-N 334.169 3.708 0 50 EHAA CCC(C)(C)CC(=O)NCC[C@@H](C)NC(=O)c1ccc(C(C)C)cn1 2325792987 AWAUSYBTKNIJLB-OAHLLOKOSA-N 347.503 3.656 0 50 EHAA C[C@@](O)(CNC(=O)NCc1ccc2c(c1)CCCC2)C1CCCCC1 2325842449 ZAXCCZAPBGOJBE-OAQYLSRUSA-N 344.499 3.696 0 50 EHAA CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc2n1CCN[C@H]2C 2325857971 WIMFKYCEALULOM-INIZCTEOSA-N 347.462 3.968 0 50 EHAA CC1CCC(C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)O)CC1 2325875755 BDNBFSNWQOOXSU-ZUEPYMLJSA-N 345.464 3.840 0 50 EHAA Cc1ccc(C)c(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)c1 121579 XEMCRJQVFYDVRU-UHFFFAOYSA-N 326.783 3.739 0 50 EHAA C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1ccccc1 150354 CCKOUPFQDUETQW-GFCCVEGCSA-N 334.213 3.533 0 50 EHAA Cc1ccc(C[C@H]2C(=O)N(c3ccc4ccccc4n3)C(=O)[C@@H]2C)cc1 170505 CMDBAZUQAJAMKH-CRAIPNDOSA-N 344.414 3.911 0 50 EHAA CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 303101 BYVJTFVWOWIDDU-OAHLLOKOSA-N 340.398 3.941 0 50 EHAA Cc1cc(C)c(C)c(C(=O)[C@@H]2OC(=O)C(C)(C)C(=O)C2(C)C)c1C 303900 PYJJBARLPKXUKD-INIZCTEOSA-N 330.424 3.650 0 50 EHAA CC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 338505 INNVPZLZBYHZQH-UHFFFAOYSA-N 325.389 3.843 0 50 EHAA CCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCC)cc2)cc1 396672 CPIULYZPWLZMGH-UHFFFAOYSA-N 340.427 3.560 0 50 EHAA O=C(NC(=S)Nc1nccs1)c1ccc(Cl)c(Cl)c1 398716 HCPZNXBNGGSKGM-UHFFFAOYSA-N 332.237 3.577 0 50 EHAA CCOc1ccc2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2c1 435672 YMHMKLIDDVTHBL-AWEZNQCLSA-N 333.453 3.802 0 50 EHAA COc1ccc(NC(=S)NC(=O)c2oc3ccccc3c2C)cc1 455007 ZDMUXDOLAWNPDH-UHFFFAOYSA-N 340.404 3.877 0 50 EHAA COCc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 464296 BEOLHOQREKVUCY-UHFFFAOYSA-N 339.829 3.805 0 50 EHAA O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc(Br)cc1 620567 WXKUKRBZQCIHLW-OAHLLOKOSA-N 331.165 3.934 0 50 EHAA CC(C)C(NC(=O)c1ccccc1I)C(C)C 1065784 BXHZFTBLLOUXSX-UHFFFAOYSA-N 345.224 3.702 0 50 EHAA CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OCC)cc1)C2 1422011 CRHUSNLIGWYPAN-CQSZACIVSA-N 341.407 3.811 0 50 EHAA O=C(NNc1ccc(C(=O)O)cc1)Nc1ccccc1C(F)(F)F 3086028 IILDAFSUMKYZBD-UHFFFAOYSA-N 339.273 3.552 0 50 EHAA CC(C)C[C@H](NC(=O)OCc1ccccc1)n1nnc2ccccc21 5284654 KISGVGRWCFIBHD-GOSISDBHSA-N 338.411 3.902 0 50 EHAA CCc1c(C)sc(NC(=S)N2CCC[C@@H](C)C2)c1C(=O)OC 17071298 HGOLZIMPQHOXFL-SNVBAGLBSA-N 340.514 3.834 0 50 EHAA CCC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(F)cc1 17951902 WWLYDDGGYKJMEK-BONVTDFDSA-N 349.431 3.864 0 50 EHAA COC(=O)c1cc(C)sc1NC(=S)N1C[C@@H](C)C[C@@H](C)C1 18181847 DDFOBDSYMCJJSS-AOOOYVTPSA-N 326.487 3.518 0 50 EHAA c1ccc(-c2cc3cn[nH]c3nc2-c2cccn2-c2ncccn2)cc1 19224501 FOHWRSXYERTDMI-UHFFFAOYSA-N 338.374 3.873 0 50 EHAA CC(C)Cc1ccc(CN2CCC[C@@H](NC3CCN(C)CC3)C2)cc1 19742775 XRXYYHWXDORXSE-JOCHJYFZSA-N 343.559 3.533 0 50 EHAA O=C(/C=C/c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 19782525 UGGYTTRVSNBPIG-IBYINHFXSA-N 338.476 3.619 0 50 EHAA CCc1ccccc1NC(=O)N1CCN(Cc2ccc(F)cc2)CC1 20213652 DOFKNHRYQBKUPM-UHFFFAOYSA-N 341.430 3.738 0 50 EHAA CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(Cl)c(Cl)c2)C1 26895034 ADEHFOWFGHHJGT-ZDUSSCGKSA-N 331.243 3.875 0 50 EHAA CCCCC(=O)Nc1ccc(NC(=O)CCc2cccnc2)cc1 55089179 GQLHLDMTXFUFOL-UHFFFAOYSA-N 325.412 3.782 0 50 EHAA COc1ccc2oc(CNCc3c(C)cc(C)c(CO)c3C)nc2c1 55281713 WBQXFAQBTNLUDQ-UHFFFAOYSA-N 340.423 3.544 0 50 EHAA CN(C)CCC[C@]1(O)c2ccccc2COc2ccc(Cl)cc21 71770622 KCBSHHSUTBTCFH-IBGZPJMESA-N 331.843 3.810 0 50 EHAA Cc1cc(C(=O)N2CCC[C@@H](CCc3c(F)cccc3F)C2)on1 71774822 IRZKTQUMLHRYHL-ZDUSSCGKSA-N 334.366 3.746 0 50 EHAA COCc1cc(N2CC[C@H](c3ccccc3Cl)C2)n2nccc2n1 72468741 NSTFVAQHJITKBB-ZDUSSCGKSA-N 342.830 3.523 0 50 EHAA CCCc1ccc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)o1 77302481 MZKVXLHTGHQQOJ-HXUWFJFHSA-N 330.472 3.599 0 50 EHAA FC(F)C(F)(F)CCN1CCC[C@@H](c2nccn2CC2CC2)C1 82120083 XQNZDTZBWLVYCG-CYBMUJFWSA-N 333.373 3.763 0 50 EHAA CN1CCC[C@H]1CCn1cc(-c2cccc(Cl)c2Cl)nn1 92037583 JKSJISVVQODKHM-NSHDSACASA-N 325.243 3.736 0 50 EHAA c1ccc(-c2nc(N3CCC(c4nccn4CC4CC4)CC3)no2)cc1 95507094 YSHXRZXCYVCATO-UHFFFAOYSA-N 349.438 3.727 0 50 EHAA Cc1nc(C(=O)NCCc2c(C)n3c4c(cccc24)CCC3)cs1 96163195 SLZCBLSHGQKPBB-UHFFFAOYSA-N 339.464 3.633 0 50 EHAA COCO[C@H]1C(=O)[C@@]2(/C=C/Oc3ccc(OC)cc3)CC[C@H]1C2(C)C 102319268 WLCRAQIVVPFKEX-ZJOYQKKTSA-N 346.423 3.582 0 50 EHAA COc1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1 102602655 UVAJLBOGWSTGNS-KFKAGJAMSA-N 335.403 3.769 0 50 EHAA Cc1ccc(C)c(S(=O)(=O)NC2(c3nccs3)CCCC2)c1 116367012 JEQCXILSPRCFBJ-UHFFFAOYSA-N 336.482 3.508 0 50 EHAA CC(C)(NCc1ccc(OC[C@H]2CCCO2)cc1)c1nccs1 116379957 DUEGBFLVYDHDHP-MRXNPFEDSA-N 332.469 3.726 0 50 EHAA CC(C)c1cc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)no1 122635663 CWOZTMLXVVRXCD-MRXNPFEDSA-N 341.455 3.535 0 50 EHAA O=C(c1ccc[nH]1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 124899416 XEIAOFVKNMPBKP-LLVKDONJSA-N 325.195 3.615 0 50 EHAA Cc1cccn2cc(CSc3nnc(NCC(C)C)s3)nc12 170593692 BOIBCEKZSJLMQJ-UHFFFAOYSA-N 333.486 3.854 0 50 EHAA CCC[C@@H](CN1CCN(CC2CCOCC2)CC1)c1ccccc1 180228375 WRXULNOPDJQHSM-NRFANRHFSA-N 330.516 3.615 0 50 EHAA O=C(NCc1ccccc1OC1CCCC1)Nc1ccncc1F 184123504 WPWKZMPISMIFGU-UHFFFAOYSA-N 329.375 3.864 0 50 EHAA COc1cccc2c1CC[C@@H](NCc1nc(C(F)(F)F)cs1)C2 192443234 BPAZXKSGNZUKRA-LLVKDONJSA-N 342.386 3.818 0 50 EHAA Cc1ncc(CN(C)[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)s1 193468445 SVHZNLOEINZQGX-VIFPVBQESA-N 347.513 3.848 0 50 EHAA O=C(C[C@@H]1CCCOC1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 193716192 VVASXRWZPWXBGZ-LBPRGKRZSA-N 346.814 3.654 0 50 EHAA C[C@H](NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1)c1nc2ccccc2[nH]1 193742400 MBPRFCFKVIDWOL-GMBSWORKSA-N 349.434 3.908 0 50 EHAA CCNc1nc(C)c(C(=O)N2CCC[C@H]2c2ccccc2OC)s1 215811039 FIEJPOAOFOMUQY-AWEZNQCLSA-N 345.468 3.869 0 50 EHAA C[C@@H](O)c1ncc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)s1 241923310 UEVRTKCBDKRYMY-SNVBAGLBSA-N 336.844 3.659 0 50 EHAA C[C@@H]1C[C@@H]1C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 252480893 CFZJWUKNWBPOIR-RLCCDNCMSA-N 341.373 3.945 0 50 EHAA COCc1nsc(N2CC[C@H](Cc3ccc(C(F)F)cc3)C2)n1 253419249 IZXASHLFWQDEAX-GFCCVEGCSA-N 339.411 3.691 0 50 EHAA O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1ccc(F)c2ccccc12 253429145 GPNIPPMDOANXIN-ORAYPTAESA-N 345.439 3.763 0 50 EHAA CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2C(F)(F)F)CC1 255189030 NGXREMKRLBTZFT-UHFFFAOYSA-N 344.377 3.890 0 50 EHAA CSc1cccc(NC(=O)N2CCN(C)[C@H](c3ccccc3)C2)c1 299768669 YPHWRTAEAMKXNW-SFHVURJKSA-N 341.480 3.929 0 50 EHAA CCn1cc([C@@H]2N=C(O)CC[C@H]2N[C@H]2CCC[C@@H](C3CC3)C2)cn1 328635253 NETWSQKMOCQHBL-XZKMEQPCSA-N 330.476 3.621 0 50 EHAA CO[C@@H](C(=O)NCc1ncc(-c2ccc(C)cc2)o1)c1ccccc1 369701711 MPCHNPUPORAXTE-LJQANCHMSA-N 336.391 3.654 0 50 EHAA Cc1ccc(CN(Cc2ccsc2)[C@@H]2CC23CCNCC3)nc1 435429030 UPMSIBZCFQTVGY-GOSISDBHSA-N 327.497 3.596 0 50 EHAA CCn1cc(CN(C)C(=O)NCCCc2ccc(Cl)cc2)c(C)n1 584891159 UKNZRHNPHLMRLV-UHFFFAOYSA-N 348.878 3.639 0 50 EHAA CC(C)n1cc([C@H](C)NC(=O)c2ccc3c(c2)C(C)(C)CO3)cn1 810393600 IAOHNCDDXPEFCI-ZDUSSCGKSA-N 327.428 3.625 0 50 EHAA COCCN(Cc1ccccn1)C(=O)OCc1cccc(Cl)c1 858912517 VLHDTCZGFJDWKI-UHFFFAOYSA-N 334.803 3.520 0 50 EHAA COC1(c2noc([C@@H](NC(=O)c3ccccc3)C(C)C)n2)CCCC1 888096727 OKFKIDBDKNXWAK-HNNXBMFYSA-N 343.427 3.612 0 50 EHAA COCCN(C[C@H]1CC=CCC1)C(=O)c1nccc2ccsc12 888100515 VWVKUNFTTZUMMN-AWEZNQCLSA-N 330.453 3.741 0 50 EHAA Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1cc(-c2ccccc2)ccn1 935711944 MWGPYFOEKXZJDI-SFHVURJKSA-N 348.406 3.586 0 50 EHAA O=C(c1oc(C2CC2)nc1C(F)F)N1CCOCC12CCCCC2 1347350087 PRTSQCDLOMRLGR-UHFFFAOYSA-N 340.370 3.665 0 50 EHAA C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1cccc2c1oc1ccccc12 1772702351 CVASJBCADGOZGJ-GDBMZVCRSA-N 334.419 3.781 0 50 EHAA COc1cccc([C@@H]2CCN2C(=O)Cc2ccc(O)c(Cl)c2)c1 1772709259 KEMRBBQVNIUUOE-INIZCTEOSA-N 331.799 3.570 0 50 EHAA O[C@@H](CNc1nccc(Oc2ccccc2)n1)c1ccc(F)cc1F 1875355040 YCAPNSRMKOVBQR-INIZCTEOSA-N 343.333 3.693 0 50 EHAA O=C1CC[C@H](CCC(=O)Oc2cccc(-c3cccnc3)c2F)C1 2325806565 WIIYROWMMSMKGH-CYBMUJFWSA-N 327.355 3.943 0 50 EHAA Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 308896 JRGPHNMGKNXANA-UHFFFAOYSA-N 336.435 3.794 0 50 EHAA O=C(CN1CCCC1)N1N=C(c2cccs2)C[C@H]1c1cccs1 522039 YGEFODJSZYFODN-AWEZNQCLSA-N 345.493 3.583 0 50 EHAA COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C 617187 ZXPLOFYAKHVDMH-UHFFFAOYSA-N 345.342 3.823 0 50 EHAA OCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1 2700813 YNJZDYAIODHMKD-UHFFFAOYSA-N 330.815 3.694 0 50 EHAA CCOc1ccc(/C=C/c2nn3c(-c4cccnc4)nnc3s2)cc1 4867846 XURJMODQAYYPAF-JXMROGBWSA-N 349.419 3.817 0 50 EHAA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 4986857 UOPGJGZCQUIORH-OAHLLOKOSA-N 333.815 3.703 0 50 EHAA CCOc1ccc(CN2CCN(Cc3ccc(CC)cc3)CC2)cc1 19842258 KPACHBQGIGPENA-UHFFFAOYSA-N 338.495 3.966 0 50 EHAA C[C@@H](Cc1cccnc1)n1cnc2cccc(C(F)(F)F)c2c1=O 32537132 PCNRZRUOVVSWRY-NSHDSACASA-N 333.313 3.614 0 50 EHAA CCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)no1 33270308 GKQKSMAHOHCOTQ-GOSISDBHSA-N 348.468 3.770 0 50 EHAA CCOc1ccc(-c2c[nH]c(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 65366263 RFHYCGBJFJYJHG-UHFFFAOYSA-N 342.420 3.546 0 50 EHAA CC[C@H](O)C(=O)NCc1ccc2[nH]c(-c3ccccc3F)c(C)c2c1 71589544 XIIVRPOUXHFDEK-SFHVURJKSA-N 340.398 3.670 0 50 EHAA CC[C@@H]1CN(Cc2cc(Cl)c(OC)cc2OC)CCN1C(C)C 72149354 QTZVNEJTGUPMCP-OAHLLOKOSA-N 340.895 3.662 0 50 EHAA Cn1cccc1-c1cc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)[nH]n1 77299580 YUPOQUNTTAUNLU-QGZVFWFLSA-N 338.386 3.532 0 50 EHAA Cc1nc(CCNC(=O)c2csc(-c3cccs3)n2)sc1C 82134066 PLWWJGRWKQWYDG-UHFFFAOYSA-N 349.506 3.917 0 50 EHAA C=Cc1ccc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)nc1 91426772 CAMSSCNRZHLBKD-LJQANCHMSA-N 345.450 3.748 0 50 EHAA Cc1nonc1[C@@H]1CCCN1C(=O)c1[nH]c2c(C)ccc(C)c2c1C 91665024 KCMOVPCFJWTSCE-AWEZNQCLSA-N 338.411 3.762 0 50 EHAA Cc1cc2cc(C(=O)NCC[C@@H]3COc4ccccc4O3)ccc2o1 91678330 YRWDPNBZQMLJRU-MRXNPFEDSA-N 337.375 3.701 0 50 EHAA CCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)CN(C1CC1)C2 95361582 QCDRCEZGCXKSFM-GOSISDBHSA-N 326.484 3.657 0 50 EHAA Cc1cnn(-c2ccncc2NC(=O)[C@H]2C[C@H]2c2ccccc2C)c1 123715841 ZKXVSSNIBRWKRZ-IRXDYDNUSA-N 332.407 3.626 0 50 EHAA CC(NCc1cn2cccnc2n1)(c1ccccc1)c1ccccc1 182202730 LWGZOCHSAGBUBD-UHFFFAOYSA-N 328.419 3.783 0 50 EHAA COc1cc(NC(=O)c2cc(C)nc3onc(C)c23)ccc1Cl 194721086 RRDZILIDSVFOBL-UHFFFAOYSA-N 331.759 3.754 0 50 EHAA C[C@@H](CCOc1ccccc1)C(=O)Nc1ccc(CCC(=O)O)cc1 237579135 PKADPCFOYPJXLL-HNNXBMFYSA-N 341.407 3.748 0 50 EHAA CC(C)c1nnc2n1CCN(c1ncnc3c1oc1ccccc13)[C@@H]2C 253428657 QWDOJWQCRGAGSP-GFCCVEGCSA-N 348.410 3.672 0 50 EHAA C[C@@]12CC3CC(C(=O)N4CCC([C@@H]5CCCN5)CC4)(C1)C[C@](C)(C3)C2 262259791 RAPJKRQLFZXKNW-UDSQOYHMSA-N 344.543 3.974 0 50 EHAA Brc1cnn(C2CCN(Cc3cccs3)CC2)c1 328586933 COCBPHCGSWWPBH-UHFFFAOYSA-N 326.263 3.544 0 50 EHAA O=C(Cc1ccccc1C(F)(F)F)NCCOc1ccccc1F 517811352 ABFOTQBUKUTNJM-UHFFFAOYSA-N 341.304 3.582 0 50 EHAA O=C(CCc1ccccc1F)N[C@H]1CCCN(Cc2cccs2)C1 828013020 KCVWMQXESCAKGU-INIZCTEOSA-N 346.471 3.601 0 50 EHAA CC1(O)CCC(Nc2nc(-c3ccccn3)nc3sccc23)CC1 858436132 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PBXCTHXLVRZONA-WIYYLYMNSA-N 326.484 3.918 0 50 EHAA FC(F)(F)C[C@H]1CCCN(C2=NCCN2Cc2ccccc2)C1 2325841233 KCYFUEKRFSBWTI-OAHLLOKOSA-N 325.378 3.523 0 50 EHAA COc1ccc2ccc(N3CC[C@H](Oc4ccnc(C)c4)C3)nc2c1 2325856867 GPRJGIQGYQUERA-SFHVURJKSA-N 335.407 3.605 0 50 EHAA CCOC(=O)[C@@H](CC)n1cnc2scc(-c3ccccc3)c2c1=O 144765 UCLRRRGJUCQHHV-CQSZACIVSA-N 342.420 3.639 0 50 EHAA O=C(O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 226826 RQMWBEVLHVOEIT-RKDXNWHRSA-N 345.708 3.895 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cc1 293670 KAFZDOVCVSIZSX-UHFFFAOYSA-N 340.242 3.867 0 50 EHAA CCOC(=O)[C@H]1CCCN1C(=O)c1sc2ccccc2c1Cl 359200 AMSPDGCGOZGYJZ-LLVKDONJSA-N 337.828 3.722 0 50 EHAA COc1ccccc1OCC(=O)NCc1ccc(Cl)cc1Cl 452529 LNMVSFRRRBEBQK-UHFFFAOYSA-N 340.206 3.697 0 50 EHAA CC1=C(C(=O)Nc2cc(C)ccc2C)[C@H](c2cccs2)NC(=O)N1 460064 YUXIHIYRHWYKEX-INIZCTEOSA-N 341.436 3.632 0 50 EHAA Cc1cc(-c2ccccc2)nc(SCC(=O)NCc2ccccc2)n1 561633 DDLRTHWHBNRCAH-UHFFFAOYSA-N 349.459 3.861 0 50 EHAA C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCCCC1 616015 IWUJUFDLYCWZMP-LBPRGKRZSA-N 326.234 3.619 0 50 EHAA CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(Cl)cc1Cl 2385855 HGGWEUIYPYFHNX-LLVKDONJSA-N 348.226 3.904 0 50 EHAA O=C(Nc1cccc(F)c1)c1ccn(COc2ccccc2Cl)n1 2796202 GMNGTUOITRKNAL-UHFFFAOYSA-N 345.761 3.964 0 50 EHAA Cc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)no1 3908654 BKSMUSHNNGQAAX-UHFFFAOYSA-N 344.802 3.750 0 50 EHAA CC(C)(C)OC(=O)Nc1ccc(I)cc1F 4290568 QPMNEDDPZQDRRB-UHFFFAOYSA-N 337.132 3.777 0 50 EHAA in-vitro Cc1ccc2nc(SCC(=O)Nc3cccnc3Cl)[nH]c2c1 6506740 OZVCZXGIUIWDOJ-UHFFFAOYSA-N 332.816 3.651 0 50 EHAA CSc1ccccc1NC(=O)[C@H]1CC(c2ccccc2F)=NO1 6738415 CQBVFOSBWRHLMH-OAHLLOKOSA-N 330.384 3.679 0 50 EHAA O=C(Nc1nnc(C(F)(F)F)s1)c1cc(F)c(F)cc1Cl 13329717 UGCDEFHYFLIDPW-UHFFFAOYSA-N 343.664 3.741 0 50 EHAA COc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1 13576721 IFPKFNXDPORYJT-WJDWOHSUSA-N 341.388 3.945 0 50 EHAA CCOc1ccccc1NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 15952158 BJBJVHDLMRUQMK-LBPRGKRZSA-N 328.368 3.697 0 50 EHAA CCN(CC)[C@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl 19228745 YNUPHVLSUSEHFC-ZDUSSCGKSA-N 337.678 3.763 0 50 EHAA Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)n1 20601524 FTMTWGGJRWVBPB-KRWDZBQOSA-N 338.386 3.773 0 50 EHAA Cc1noc(-c2ccccc2NC(=O)Cc2ccc(Cl)cc2)n1 22462155 KLHLFCYAXWWSCI-UHFFFAOYSA-N 327.771 3.880 0 50 EHAA Clc1ccc(CN2CCc3nnc(-c4ccccc4)n3CC2)cc1 23191678 HTJADYIXIUASGO-UHFFFAOYSA-N 338.842 3.657 0 50 EHAA Cc1ccc(NC(=O)COc2ccccc2C)cc1NC(=O)C1CC1 30830985 WEJSUTYEGZGHSF-UHFFFAOYSA-N 338.407 3.669 0 50 EHAA CC(=O)NCC[C@@H]1CCCCN1Cc1cc(F)ccc1C(F)(F)F 72162822 ZXKNXPDIRSLLJK-HNNXBMFYSA-N 346.368 3.725 0 50 EHAA Cc1cc(C)c2nc(C)cc(C(=O)N[C@H]3CCCc4nccnc43)c2c1 77504863 NXEIUFZHGMBRMI-SFHVURJKSA-N 346.434 3.757 0 50 EHAA O=C(c1ccc2occc2c1)N1CCC([C@H](O)Cc2ccccc2)CC1 77504874 SSDXTHYSWZWLHX-HXUWFJFHSA-N 349.430 3.889 0 50 EHAA Cc1ccc(C(=O)N2CCC(c3nccn3CC3CC3)CC2)cc1F 82145667 IWLOWKCEZWPEBL-UHFFFAOYSA-N 341.430 3.760 0 50 EHAA Cc1nccc(-c2ccccc2)c1C(=O)N1CC[C@](C)(O)C(C)(C)C1 91736366 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3.657 0 50 EHAA NC(=O)c1c(Cl)cccc1NCc1ccc(OC(F)F)cc1 172942234 OFGSHPRAKPONFS-UHFFFAOYSA-N 326.730 3.652 0 50 EHAA Cc1ccc(C[C@H](C)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)cc1 186156256 JNVWSAOIYWRAIF-NSHDSACASA-N 339.361 3.873 0 50 EHAA Cc1noc2ncnc(N3CCC[C@@H](c4cc(F)ccc4F)C3)c12 192547900 DQVGRSMWVBQCDP-LLVKDONJSA-N 330.338 3.588 0 50 EHAA CCOC(=O)c1c(CN2CCO[C@H]3CCCC[C@H]32)oc2ccccc12 230186284 IASAEEYNPIUAJF-WBVHZDCISA-N 343.423 3.753 0 50 EHAA C[C@@H]1CCC[C@@H](N(CCC(=O)O)Cc2ccc3c(c2)OCO3)[C@@H]1C 237497060 DRLUQCQIRSZYSQ-IIAWOOMASA-N 333.428 3.517 0 50 EHAA COC(=O)[C@H]1CC[C@H](C(=O)Nc2c(Cl)ccc(F)c2C)CC1 239619584 BFPYNSLWPKSFBU-XYPYZODXSA-N 327.783 3.705 0 50 EHAA CN(Cc1cc(C2CC2)[nH]n1)C[C@H]1CCCN(Cc2ccccc2)C1 244811461 SDEJPNYIXBOPHT-GOSISDBHSA-N 338.499 3.631 0 50 EHAA O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)[C@@H]1[C@H]2CCC[C@H]21 247447724 ORIFKBDRRRBMFI-IDCNUPLLSA-N 326.827 3.987 0 50 EHAA O=C(Nc1ccccn1)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl 252430617 ASFHTUNFFKMFSE-SSKLVLDBSA-N 325.239 3.876 0 50 EHAA O=C(CCc1cccc(Cl)c1Cl)N[C@H]1CC[C@H](CO)CC1 252517433 IHJJBZMMFODIOU-AULYBMBSSA-N 330.255 3.593 0 50 EHAA C[C@@H]1CC[C@@H]2[C@H](C1)c1c(nc(O)n(-c3ccccc3)c1=O)OC2(C)C 253486967 BQPIXXRVTMMDDC-VHDGCEQUSA-N 340.423 3.629 0 50 EHAA Cc1csc([C@H]2CN(C(=O)c3csc4ccccc34)CCO2)n1 283209743 NHSGHBMONNBKEJ-CQSZACIVSA-N 344.461 3.880 0 50 EHAA Cc1cccc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)c1C 298297955 LDGJELOGWNILEJ-UHFFFAOYSA-N 326.440 3.633 0 50 EHAA COc1ccc(Cl)cc1-c1cccc(C(=O)N2CCC[C@H](O)C2)c1 299777677 OLFUHINQUDPXFD-INIZCTEOSA-N 345.826 3.613 0 50 EHAA Cc1ccc2[nH]c([C@@H](NC(=O)c3cc(C(F)F)n[nH]3)C(C)C)nc2c1 299788863 TZNFWFUKIVUGLV-AWEZNQCLSA-N 347.369 3.659 0 50 EHAA CC1(C)CCc2sc(NC(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)nc21 333618897 ZDINUWKIHZFDCC-FZMZJTMJSA-N 349.500 3.788 0 50 EHAA O=C(Cc1ccc(Cl)cn1)NCc1ccc(F)cc1C(F)(F)F 339846867 FHMNGKZFUPCKTP-UHFFFAOYSA-N 346.711 3.752 0 50 EHAA O=C(c1csc2cncn12)N1CC[C@H](CSc2ccccc2)C1 347533247 DKSCDZDYPNQJPK-ZDUSSCGKSA-N 343.477 3.650 0 50 EHAA CCN(Cc1cnn(CC)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1 426430599 DGZOPGFUUAPWOW-CYBMUJFWSA-N 334.851 3.849 0 50 EHAA O=C(c1cc2ccccc2o1)N1CCCN(Cc2ccsc2)CC1 1529187610 WFACFGQLSPRDGV-UHFFFAOYSA-N 340.448 3.842 0 50 EHAA CO[C@@H]1CCC[C@@]12CCCN(Cc1ccccc1-n1cccn1)C2 1704304398 NARPYRDSEGHICA-UXHICEINSA-N 325.456 3.653 0 50 EHAA COc1nc(NCc2cc(-c3cccc(Cl)c3)no2)ncc1F 1772705767 PNZTZFQUQWTYJC-UHFFFAOYSA-N 334.738 3.545 0 50 EHAA Cc1cc2c(cn1)CN(C(=O)Cc1csc(-c3ccccc3)n1)C2 1857690210 WNGXQXKTZWASCV-UHFFFAOYSA-N 335.432 3.598 0 50 EHAA O=C(N[C@H]1CC[C@H](Oc2ccccc2)CC1)c1cccc2c1COC2 1875305132 HXIPJDZWJUGATJ-SAABIXHNSA-N 337.419 3.837 0 50 EHAA COC(=O)c1ccc([C@H](O)CN2CCCCC[C@H]2c2ccco2)cc1 1875332048 AQRQAVXPXQBOLI-ZWKOTPCHSA-N 343.423 3.717 0 50 EHAA CN(C)Cc1cncc(NC(=O)c2ccc(-c3ccco3)s2)c1 2325856594 WFIURWKOPDXKJB-UHFFFAOYSA-N 327.409 3.717 0 50 EHAA c1cc(C[C@@H]2CCCCN2)cc(-c2ccc(Cn3cncn3)cc2)c1 2325859375 XIPOCDHLKVBJIA-NRFANRHFSA-N 332.451 3.678 0 50 EHAA CC[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 68366 YEUKMYWHYYIKPY-SECBINFHSA-N 334.466 3.676 0 50 EHAA O=C(COc1ccccc1)Nc1ccc(C(=O)c2ccccc2)cc1 134151 LDYXINCRZVKSSH-UHFFFAOYSA-N 331.371 3.935 0 50 EHAA O=C(NC(=S)Nc1cccnc1)c1ccc(-c2ccccc2)cc1 456568 WMJQGCVWXWPRMJ-UHFFFAOYSA-N 333.416 3.875 0 50 EHAA CCC[C@@H](C)c1nnc(NC(=O)c2ccc(OC(C)=O)cc2)s1 1049190 XASPMZAZPYVDTH-SNVBAGLBSA-N 333.413 3.619 0 50 EHAA C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Cl)cc2)CC1=O 1072299 BWMGRHSZLQLCAV-DZGCQCFKSA-N 342.826 3.888 0 50 EHAA Cc1ccc(SCc2ccc(C(=O)N3CCOCC3)cc2)cc1 1116571 VWVRUVJFODOJHE-UHFFFAOYSA-N 327.449 3.760 0 50 EHAA Brc1ccccc1-c1nnc2sc(-c3ccco3)nn12 2180693 YFYWUACLSCIHSC-UHFFFAOYSA-N 347.197 3.875 0 50 EHAA Cc1cccc(C(=O)Nc2ncn(Cc3ccc(F)cc3Cl)n2)c1 2799296 SEKOFDUDYYZNEV-UHFFFAOYSA-N 344.777 3.680 0 50 EHAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 3843837 JERGUCIJOXJXHF-UMKHLJCSSA-N 332.484 3.630 0 50 EHAA Cc1ccc(-c2noc(CN(C)C(=O)c3ccccc3Cl)n2)cc1 7720313 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3.593 0 50 EHAA CCN(CCN(C)C)C(=O)Nc1ccc(OCc2cccs2)cc1 299773552 FRSVOJHPUXHFMA-UHFFFAOYSA-N 347.484 3.743 0 50 EHAA COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2ccnn2C)cc1 328587371 HWUUPRWWIKIKOW-HNNXBMFYSA-N 349.434 3.929 0 50 EHAA Cc1cc(CN[C@@H](c2nc(C(C)C)no2)C2CCOCC2)c(C)o1 328639646 WXOZWEBFYIUNFH-MRXNPFEDSA-N 333.432 3.660 0 50 EHAA CCN(Cc1ccccc1NC(=O)N(C)Cc1ccc(C)o1)C(C)=O 338381773 CXZMLGDAIAFZKU-UHFFFAOYSA-N 343.427 3.620 0 50 EHAA COc1ccc2c(c1)OCCN([C@H](C)c1ncc(C(C)(C)C)o1)C2 374857133 QVILIHMDXLJZBS-CYBMUJFWSA-N 330.428 3.936 0 50 EHAA CCCN(Cc1cccnc1)C(=O)c1ccc(-c2nccn2C)cc1 426382833 YCTHZSJUBWCHTL-UHFFFAOYSA-N 334.423 3.535 0 50 EHAA C[C@@H]1CNCCN1C(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1 426533764 IINVOBQTCAPQFM-CYBMUJFWSA-N 348.368 3.806 0 50 EHAA O=C(NCc1cccnc1)N1CCCC[C@H]1CCc1cccs1 426578574 KLKXQYAPAFKRLQ-INIZCTEOSA-N 329.469 3.840 0 50 EHAA CCc1oc(C(=O)N[C@H](C)Cc2ccsc2)cc1CN1CCCC1 426597349 DDZPKGAZQLBFHB-CQSZACIVSA-N 346.496 3.860 0 50 EHAA C[C@@H](Nc1nc(-c2cccnc2)nc2c1CCC2)c1cncc(F)c1 663998082 FRQOTADYULMONA-GFCCVEGCSA-N 335.386 3.735 0 50 EHAA COCC1(C2CCC2)CN(C(=O)Nc2cccc([C@H](C)OC)c2)C1 665949602 SWDIXFPEOXXSRJ-AWEZNQCLSA-N 332.444 3.674 0 50 EHAA CC(C)c1noc(C2CCN([C@@H]3CCN(c4ccccc4)C3)CC2)n1 670472789 UORXSBVCUZDREA-GOSISDBHSA-N 340.471 3.651 0 50 EHAA Cc1cc(C)c(Br)c(C(=O)Nc2nnc(C)n2C2CC2)c1 671596574 YAUKMLHJQRVORT-UHFFFAOYSA-N 349.232 3.553 0 50 EHAA CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCCN1CCCCC1 827884258 NWDAUQKFJVNLBD-UHFFFAOYSA-N 342.405 3.930 0 50 EHAA Cc1cc(NCc2ccc(C(C)(C)O)cc2)ccc1C(=O)N(C)C 842213519 BOHDOWUHTLXSKX-UHFFFAOYSA-N 326.440 3.536 0 50 EHAA CC(C)(CCNC(=N)N[C@@H]1CCOc2ccccc21)c1ccccc1 849091295 SYWUXTQJQNUNFI-GOSISDBHSA-N 337.467 3.992 0 50 EHAA Cn1nc(NC(=O)N[C@H]2CCCC23CCCCC3)cc1OC(F)F 888092798 GFNYTPWMFSHGQW-NSHDSACASA-N 342.390 3.646 0 50 EHAA Cc1nc([C@H]2CCCN2c2nc3ccccc3n3cncc23)[nH]c1C 895195901 FZLLFLPAEOPRBR-MRXNPFEDSA-N 332.411 3.564 0 50 EHAA COc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc(F)c([C@@H](C)O)c1)C2 908175833 AZFDNEXMQFQRLZ-DOMZBBRYSA-N 343.398 3.631 0 50 EHAA CC(C)Cc1nc(CN(C)C(=O)[C@]2(c3cccs3)CC2(C)C)no1 952991940 XUXSURHELAVDDA-GOSISDBHSA-N 347.484 3.656 0 50 EHAA Cc1onc(OC(F)F)c1NC(=O)C[C@H](C)c1ccccc1F 1458987302 KYKJWKZHUCLUFH-QMMMGPOBSA-N 328.290 3.856 0 50 EHAA Cc1ccc(-c2ccc(C(=O)N3CCC(C)(C(=O)O)CC3)cc2)cc1 1506402584 ONXPBKBLCTXIPM-UHFFFAOYSA-N 337.419 3.989 0 50 EHAA O=C(Nc1ccccc1)C(=O)N1CCCC[C@H]1CCc1cccs1 1506416788 GKDXQNGSBGQQKC-INIZCTEOSA-N 342.464 3.701 0 50 EHAA CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1nc(C(=O)O)co1 1529133145 DVWVTLPMELNZII-GOSISDBHSA-N 339.395 3.610 0 50 EHAA COc1ccc(/C=C/CN2CCC[C@]3(CCc4cnc(C)nc43)C2)cc1 1704324988 BFMXVCUEWZZMJJ-YXMLYAQVSA-N 349.478 3.787 0 50 EHAA CCCOc1ccccc1-c1nnc(N2CCC[C@H](OCCC)C2)o1 1772709580 OLZCIFMBEAFGRR-HNNXBMFYSA-N 345.443 3.921 0 50 EHAA CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)[C@]13CCCC[C@@H]1C3)C2 1775990133 CWRILCUGPHTMIX-YKGACUOXSA-N 346.515 3.643 0 50 EHAA Cc1cc(C)cc(OCCCN(C)C[C@H]2CCC(=O)N(C(C)C)C2)c1 1857693399 VQWJTPIECSBBSF-LJQANCHMSA-N 346.515 3.651 0 50 EHAA CC(C)Oc1ccccc1C(=O)Nc1ncc(C2(O)CCC2)s1 1875278675 UMIMKVHKRVIOJI-UHFFFAOYSA-N 332.425 3.554 0 50 EHAA C[C@H](CNC(=O)C1(F)CCC(F)(F)CC1)Oc1ccccc1F 1875280507 QBMDAVPZHFINKF-LLVKDONJSA-N 333.325 3.627 0 50 EHAA Cc1nc(S(=O)(=O)Nc2cnoc2C(C)C)c(-c2ccccc2)o1 1875281163 SFQIEGNHJRLWRI-UHFFFAOYSA-N 347.396 3.562 0 50 EHAA CC1CC(CO)(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)C1 2325839249 MWZYUFAQABROFS-UHFFFAOYSA-N 348.446 3.586 0 50 EHAA O=C(O)c1c(NCC[C@@H]2CCOC2)noc1-c1ccc(Cl)cc1 2356155980 QETFDRWEXRKHIT-SNVBAGLBSA-N 336.775 3.532 0 50 EHAA O=C(Cc1ccc(Br)cc1)N1CCc2ccccc2C1 30762 ZAGRKFRZHVHDFS-UHFFFAOYSA-N 330.225 3.577 0 50 EHAA O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cccs1 33191 ODKFYEBYGOSHQC-UHFFFAOYSA-N 348.383 3.801 0 50 EHAA Clc1ccccc1-c1nc(N2CCOCC2)c2ccccc2n1 102181 LIYHIJGGALGVKJ-UHFFFAOYSA-N 325.799 3.787 0 50 EHAA O=C(N[C@H]1CCSC1=O)c1cc(-c2ccccc2)nc2ccccc12 183876 VLQNVUNIXQTCDX-KRWDZBQOSA-N 348.427 3.664 0 50 EHAA COc1ccc(NCc2ccc(OC)c(OC)c2OC)cc1Cl 360428 PAPTYZANXHZOJJ-UHFFFAOYSA-N 337.803 3.987 0 50 EHAA COC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 390107 CPUHGNDDKKRFAR-UHFFFAOYSA-N 346.886 3.749 0 50 EHAA CCOc1ccc2cc(S(=O)(=O)NCc3ccccc3)ccc2c1 450357 BDDRHWDBGFBJIN-UHFFFAOYSA-N 341.432 3.717 0 50 EHAA CCCCCOc1cccc(NC(=O)O[C@H]2CN3CCC2CC3)c1 4566629 QCSWLZIYGJLXQK-SFHVURJKSA-N 332.444 3.898 0 50 EHAA COC(=O)Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 4841981 RSAYXPNAAPBUOZ-UHFFFAOYSA-N 328.412 3.564 0 50 EHAA COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC3(C)C)cc1OC 5500034 IFKQUHHKGKTAKS-MRXNPFEDSA-N 338.407 3.983 0 50 EHAA COc1cc2c(cc1OC)[C@H](c1ccc(N3CCCC3)cc1)OCC2 8782742 NIKVLQHSEOSIDZ-NRFANRHFSA-N 339.435 3.966 0 50 EHAA Cc1nn(CCNC(=O)Nc2cccc(Cl)c2)c(C)c1Cl 13961244 PNRQZTKIXDNYCJ-UHFFFAOYSA-N 327.215 3.628 0 50 EHAA Fc1cccc(N[C@@H]2CCCN(Cc3ccc4nsnc4c3)C2)c1 15067006 GSIQZZLFSWRGJU-MRXNPFEDSA-N 342.443 3.907 0 50 EHAA CN(C(=O)c1coc(COc2ccccc2F)n1)C1CCCCC1 15067337 BQLUMFVYMMCIMJ-UHFFFAOYSA-N 332.375 3.797 0 50 EHAA Cc1ccc(CN2C[C@@H]3C[C@H]2C(=O)N3c2ccccc2Cl)s1 19745989 JVTLPDAVGVAMMI-LRDDRELGSA-N 332.856 3.700 0 50 EHAA Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3cccnc3)c12 28809418 GUFBZPMCVYHMRC-UHFFFAOYSA-N 344.374 3.523 0 50 EHAA O=C(NC[C@H]1CCCCO1)c1ccc(CSc2ccccn2)cc1 55119431 HZRIXEBVKRZRRL-QGZVFWFLSA-N 342.464 3.673 0 50 EHAA Cc1ccc(-c2nnc(NC(=O)N(C)Cc3cccnc3)s2)cc1 55343133 RFXWVTODPSTOJC-UHFFFAOYSA-N 339.424 3.572 0 50 EHAA Cc1ccc([C@@H]2CC(=O)NCc3nc(N4CCCC4)sc32)cc1C 65435917 OJSAMZMEJJIZEI-HNNXBMFYSA-N 341.480 3.512 0 50 EHAA Cc1nc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c(C)o1 71746967 IPCCWLRGWSYTSC-INIZCTEOSA-N 330.403 3.916 0 50 EHAA CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc2nccnc2c1 72421882 GVQJXYWEUWVBHK-UHFFFAOYSA-N 344.374 3.557 0 50 EHAA Cc1ccc(Oc2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2)nn1 72437069 JMSLTOWNZQANOH-UHFFFAOYSA-N 349.346 3.558 0 50 EHAA Cc1oc(-c2ccccc2Cl)nc1CN(C)CCc1cnn(C)c1 72473504 ZVPYRAGOELMVPQ-UHFFFAOYSA-N 344.846 3.711 0 50 EHAA O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2nccn2CC2CC2)C1 82157331 AYIBINOQXHGKHE-KRWDZBQOSA-N 348.450 3.794 0 50 EHAA O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCC[C@H](c2ccccc2)C1 91694037 FKUDUXIHJMZVOO-INIZCTEOSA-N 347.418 3.802 0 50 EHAA O=C1C[C@H](Cc2ccccc2)CN1Cc1cncn1Cc1ccccc1 95527863 ADCKKDNBSUAWLR-FQEVSTJZSA-N 345.446 3.523 0 50 EHAA Cc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)cc1C 101195968 USFSYIBIBLMJRR-KRWDZBQOSA-N 337.814 3.999 0 50 EHAA O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCCC3)[C@H]2C(=O)N1Cc1ccccc1 101597550 XOSPGPNKDYEJGU-QGZVKYPTSA-N 333.431 3.864 0 50 EHAA CN(C)[C@H](CN[C@@H]1CCCCc2ccc(Cl)cc21)c1cnn(C)c1 130142719 CLKCVNAPHHQZPN-RTBURBONSA-N 346.906 3.734 0 50 EHAA Cn1c(C(C)(C)C)nc2cc(NC3CCC4(CC3)OCCO4)ccc21 161824265 UKEPOWAZFQRRCB-UHFFFAOYSA-N 343.471 3.968 0 50 EHAA Cc1cnn([C@H]2CCCN(C(=O)N[C@H](C)c3cccc(F)c3F)C2)c1 165898132 FOIPFHFJRMYLQP-KGLIPLIRSA-N 348.397 3.577 0 50 EHAA CN(C)c1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)cn1 170635779 YVEQUONLXDUGRB-VXGBXAGGSA-N 333.794 3.682 0 50 EHAA CN1CCC[C@@H](CN(C)C(=O)c2ccc(-c3ccccc3)s2)C1 172233706 VLQYDSOZMLKGRY-OAHLLOKOSA-N 328.481 3.829 0 50 EHAA Cc1c(CSC(C)C)cccc1NC(=O)NCc1ccnn1C 173884746 SWHCGDNJSSCMHP-UHFFFAOYSA-N 332.473 3.692 0 50 EHAA Cc1nnc(CC(=O)N2CCCc3cc(-c4ccccc4)ccc32)o1 178004177 XQLMAGRJDACWBS-UHFFFAOYSA-N 333.391 3.567 0 50 EHAA Cc1oc2ccccc2c1CNC[C@H]1CC(=O)N(Cc2ccccc2)C1 179058475 OKRDNHSOSIZSOP-GOSISDBHSA-N 348.446 3.880 0 50 EHAA Cc1ccc2[nH]c(SCc3nnc(C4CC4)n3C3CC3)nc2c1 180980640 VLJISDKEGVHHOB-UHFFFAOYSA-N 325.441 3.967 0 50 EHAA O=C(CCc1cscn1)Nc1ccccc1OC[C@@H]1CCCCO1 195320544 VCVVIKDGPRFMMG-HNNXBMFYSA-N 346.452 3.662 0 50 EHAA O=C1NC(=O)c2ccccc2/C1=C\Nc1nc(-c2ccccc2)cs1 209052308 RKGXAUKOHHTMCI-XNTDXEJSSA-N 347.399 3.533 0 50 EHAA COc1ccc(CCCC(=O)N2CC[C@](C)(O)[C@H](CC(C)C)C2)cc1 211191613 HGZVWIFBAHKWTB-NQIIRXRSSA-N 347.499 3.664 0 50 EHAA O=C(c1ccn(C(F)F)n1)N1CCC[C@H](c2ccc(Cl)cc2)C1 223264794 ACPRJDZINVFZMO-LBPRGKRZSA-N 339.773 3.951 0 50 EHAA CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)c(C)cc1C 230516211 GFBHUGBUGJIQKW-UHFFFAOYSA-N 325.474 3.655 0 50 EHAA C[C@@H](C(=O)Nc1ccccn1)N(Cc1cccc(Cl)c1)C1CC1 244828513 TXLICKKRYFLTGT-ZDUSSCGKSA-N 329.831 3.727 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257357213 MRURHGKZPVRRKA-DXUNKFAKSA-N 330.468 3.982 0 50 EHAA CC(C)n1cnnc1C1CCN(c2ccnc(-c3ccccc3)n2)CC1 271148827 JSFANRBVDXVBTQ-UHFFFAOYSA-N 348.454 3.700 0 50 EHAA Cc1cccc(F)c1NC(=O)N[C@@H]1CCO[C@H](c2cccnc2)C1 296933026 UWMDHMVIAOCPJL-ZBFHGGJFSA-N 329.375 3.571 0 50 EHAA CCCc1cc(CN(C)C(=O)Nc2ccccc2OC(C)C)n[nH]1 299777041 HXSPQTRSYLTRTL-UHFFFAOYSA-N 330.432 3.813 0 50 EHAA CN(C)CC(C)(C)CNC(=O)Nc1ccc(Cl)c2ncccc12 299779457 RWWWFFQBFSEOEH-UHFFFAOYSA-N 334.851 3.598 0 50 EHAA CC(C)n1cccc1C(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 299797814 OVWFJDQNOOWCCE-FQEVSTJZSA-N 340.467 3.525 0 50 EHAA C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3n[nH]cc3C2)C[C@H](c2ccccc2)C1 333999597 QLJASGWHWLKFGV-RMRDIRSESA-N 337.467 3.603 0 50 EHAA Cc1cc(C)c2c(c1)[C@H](NCc1cnc3n1CCCC3)CCCO2 367439468 UUGAIWSAUYKERP-GOSISDBHSA-N 325.456 3.840 0 50 EHAA C[C@@H](NC(=O)N(C)Cc1cc(-c2ccncc2)no1)C1CCCCC1 534584503 VNZFYPFMKIIVSJ-CQSZACIVSA-N 342.443 3.847 0 50 EHAA CCOc1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 823390605 PACTUJRCTWKQCV-UHFFFAOYSA-N 338.407 3.773 0 50 EHAA Cc1nnc([C@@H]2CN(Cc3cc(Cl)cc4ccccc34)CCO2)o1 930265674 WOCNBCLGTAUAAD-KRWDZBQOSA-N 343.814 3.758 0 50 EHAA CCc1onc(C)c1CNC(=O)Nc1cc(C2(C)CCCC2)on1 931131577 GCYOTDGEZPYFAG-UHFFFAOYSA-N 332.404 3.687 0 50 EHAA Cc1nc([C@H]2CCN(Cc3ccc(OCc4ccccc4)cc3)C2)no1 931947635 BHUXHADQDFYHAZ-IBGZPJMESA-N 349.434 3.947 0 50 EHAA Cc1cnc(NCc2ccc(C(F)(F)F)cc2F)nc1N(C)C 1529089615 QORKVYANFGEFFR-UHFFFAOYSA-N 328.313 3.621 0 50 EHAA Cn1ncc(-c2ccccc2)c1NC(=O)Cc1cccc(Cl)c1 1875240635 CYGLNWKQCHLQKO-UHFFFAOYSA-N 325.799 3.922 0 50 EHAA O=C(Nc1nc2c(F)cccc2s1)N1CC[C@@H]2[C@@H](C1)C2(F)F 1875277444 MAIGICUIMATIEZ-HTQZYQBOSA-N 327.331 3.554 0 50 EHAA CC(C)Oc1ccc(NC(=O)[C@@H]2CC[C@@H]2C(=O)O)cc1C(F)(F)F 1875277642 VZIMIBGXGOFUKF-MNOVXSKESA-N 345.317 3.542 0 50 EHAA COC1(CC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CCCCC1 1875309700 JEJJYSUXBIKSLV-MRXNPFEDSA-N 346.471 3.590 0 50 EHAA Fc1ccc(Cn2cc(OCc3ccc4c(c3)COCC4)cn2)cc1 1875327752 JSIDAEHWGJEKOY-UHFFFAOYSA-N 338.382 3.722 0 50 EHAA COc1ccc(COc2cnn(Cc3ccc(F)cc3)c2)cc1F 1875327777 LAGOESRGUPWXCO-UHFFFAOYSA-N 330.334 3.797 0 50 EHAA Clc1cnn([C@H]2CCN(Cc3ccn(Cc4ccccc4)c3)C2)c1 2325736236 MFICXRGQNIZBPH-IBGZPJMESA-N 340.858 3.833 0 50 EHAA Cc1cccc(OCCCCC(=O)NCCCc2cccnc2)c1 2325781455 QMCDOLRIMFFXBU-UHFFFAOYSA-N 326.440 3.688 0 50 EHAA Cc1cccc2oc(CCNCc3ccnc(C(F)(F)F)c3)nc12 2325800538 RNDWKVXSECUXIY-UHFFFAOYSA-N 335.329 3.882 0 50 EHAA CCCCn1nc(CC(C)C)c2c(NC[C@H]3CCCOC3)ncnc21 2356143357 DOWXWFDWZAQPKG-OAHLLOKOSA-N 345.491 3.663 0 50 EHAA CCC[C@@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 43464 STJLVHWMYQXCPB-DOMZBBRYSA-N 342.226 3.653 0 50 EHAA biogenic,in-vitro Cc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1C 81140 BIJWKKGGOMXGSX-MRXNPFEDSA-N 326.421 3.745 0 50 EHAA CC(=O)c1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 95240 BUZQLKXFKWGWSZ-UHFFFAOYSA-N 339.420 3.950 0 50 EHAA CCOc1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O 124396 MBOSLJJAFXHOQG-INIZCTEOSA-N 342.420 3.527 0 50 EHAA COc1ccc2c(c1)CCc1sc(NC(=O)c3cccnc3)nc1-2 200003 DOUGIOHEMRACJG-UHFFFAOYSA-N 337.404 3.565 0 50 EHAA COc1cc(/C=C/C(=O)NC2CCCCCC2)cc(OC)c1OC 303603 JJAWKZWUXPSPHM-ZHACJKMWSA-N 333.428 3.565 0 50 EHAA CC(=O)Nc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 318747 SCTMECHGEWPEEX-UHFFFAOYSA-N 340.404 3.599 0 50 EHAA O=C1c2ccccc2[C@](O)(c2ccccc2)N1CCc1ccccc1 383244 GXYZZGJQKKAIRA-JOCHJYFZSA-N 329.399 3.579 0 50 EHAA CC1CCN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 457467 XREZQEIDSQEJLW-UHFFFAOYSA-N 328.437 3.873 0 50 EHAA COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cc1C 479887 VVQRWBIEPWFNRQ-UHFFFAOYSA-N 325.817 3.766 0 50 EHAA COc1ccc([C@H](O)P(=O)(OC(C)C)OC(C)C)cc1OC 2287209 JFUAQVYYTPUOBL-OAHLLOKOSA-N 332.333 3.738 0 50 EHAA COc1ccc(NC(=O)c2sccc2Br)c(OC)c1 4542019 MFUSBIKZRJSTBU-UHFFFAOYSA-N 342.214 3.780 0 50 EHAA CC(=O)N(C)Cc1nc2ccccc2n1Cc1cccc(Cl)c1 4943204 CAIHVTVBEQNGAU-UHFFFAOYSA-N 327.815 3.716 0 50 EHAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5228899 UUOHXXXJRQGPLC-WFWJNZLESA-N 332.484 3.918 0 50 EHAA CCOc1ccccc1[C@@H]1N=C(O)c2c(sc3c2CCN(C)C3)N1 6784272 ATDAZNPVVYVIPX-MRXNPFEDSA-N 343.452 3.564 0 50 EHAA Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1Cl 7759058 RNZWCKIWCAFANZ-UHFFFAOYSA-N 341.798 3.971 0 50 EHAA COc1ccc(O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 11608715 PHBGVUBDQLCWEK-XXWNAHEMSA-N 329.440 3.548 0 50 EHAA CC(C)=CC(=O)N(C)C[C@H]1CCCN(CCc2ccccc2F)C1 14970745 JAPAABYCZCVHQN-QGZVFWFLSA-N 332.463 3.505 0 50 EHAA Cc1ccccc1[C@H](CC(=O)NCCn1cccn1)c1ccccc1 15069284 IVQYWWLWZRCMHM-HXUWFJFHSA-N 333.435 3.530 0 50 EHAA CCC[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1nccn1C 55108790 JNECHQWBKOPBTD-FAKMSMKASA-N 329.488 3.984 0 50 EHAA COc1cccc(OC)c1CNCc1c[nH]nc1-c1ccc(F)cc1 55245139 PNKLAMDHPTXFQJ-UHFFFAOYSA-N 341.386 3.523 0 50 EHAA CCC(=O)Nc1ccc(NC(=O)Cc2ccccc2OC)cc1Cl 55281942 OXZPGHGALTZUBA-UHFFFAOYSA-N 346.814 3.878 0 50 EHAA COC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1 55540294 LGLGCIXKNFHFJZ-QGZVFWFLSA-N 327.355 3.590 0 50 EHAA C/C(=C\c1ccccc1)[C@H]1CC(=O)NCc2nc3c(C)cccn3c21 65375877 JMGNZBPBXLMLFM-GSPCDJLXSA-N 331.419 3.850 0 50 EHAA Cc1cn2cc(CNC(=O)c3ccc([C@H]4CCCO4)s3)nc2s1 65493198 NWUVDDBUALYDPP-GFCCVEGCSA-N 347.465 3.547 0 50 EHAA CN(Cc1csc(-c2ccccc2)n1)C(=O)c1cc(C2CC2)no1 72458696 IXNILQJTRLJHFN-UHFFFAOYSA-N 339.420 3.948 0 50 EHAA COCCC[C@H]1CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 77319907 KJKFECHTIUOMGJ-CQSZACIVSA-N 343.389 3.913 0 50 EHAA O=C(CCc1ccc(NC(=O)N2CCCCCCC2)cc1)NC1CC1 95523019 SWQYCOLXHQJCJO-UHFFFAOYSA-N 343.471 3.696 0 50 EHAA COc1cc(NC(=O)N2CCC3(CCCC3)C2)cc(OC)c1OC 96137241 QCKYUIDPRJHNEI-UHFFFAOYSA-N 334.416 3.510 0 50 EHAA C[C@H](NC(=O)Nc1cccc(N2CCOC2=O)c1)C1=CCCCC1 96151350 STYURDKMWWSTFE-ZDUSSCGKSA-N 329.400 3.654 0 50 EHAA CCOc1ccc(NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c(F)c1 97402379 XFYQATKVVGTWOW-UHFFFAOYSA-N 348.422 3.909 0 50 EHAA CCn1c(=O)c(C(=O)Nc2ccc(C)cc2C)c(O)c2ccccc21 100498443 BHXQXFDXVQRDKM-UHFFFAOYSA-N 336.391 3.596 0 50 EHAA CCOc1ccc([C@H]2CCCN2C(=O)Cc2c[nH]c3ncccc23)cc1 155036077 NDWYNIAQYHBDMO-LJQANCHMSA-N 349.434 3.868 0 50 EHAA CCOCC(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCCC2 170617621 BUQBNSQPFODWLA-UHFFFAOYSA-N 339.457 3.557 0 50 EHAA O=C(c1ccn(-c2ccccc2)n1)N1CCOc2ccc(Cl)cc21 172684659 FZPFSPSHWBFMQR-UHFFFAOYSA-N 339.782 3.565 0 50 EHAA Cc1nnsc1C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 191393284 VGBYEKDCHXXUSK-UHFFFAOYSA-N 330.240 3.818 0 50 EHAA COc1ccc(F)c(F)c1CN1CCCC[C@@H]1CCn1ccnc1 216214848 FJZLMLSRFYFARS-CQSZACIVSA-N 335.398 3.615 0 50 EHAA O=C(Nc1cccc(Cl)c1Br)N[C@H]1CCC[C@@H](O)C1 225405127 DMVXWEMDIBWTEE-DTWKUNHWSA-N 347.640 3.528 0 50 EHAA CN(C)[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)c1cccs1 225470214 TYTYPWQAZPXTLF-KRWDZBQOSA-N 326.465 3.740 0 50 EHAA COc1ccc(-c2cc3nc(-c4nccs4)[nH]c(=O)c3s2)cc1 225746504 UJTPJCHFZXXYSM-UHFFFAOYSA-N 341.417 3.784 0 50 EHAA COc1ccc2c(c1)N(C(=O)[C@H](C)O[C@@H]1CCC[C@@H](C)C1)C[C@@H](C)O2 230218854 HFYWCTHZPVDVME-PNBKFKSVSA-N 347.455 3.793 0 50 EHAA COc1cc(F)c([C@H](C)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)cc1OC 230219161 VMTITDZYKZVXLJ-ZAGRPGIDSA-N 325.424 3.553 0 50 EHAA CNC1CCN(C(=O)c2ccccc2Nc2cccc(C)c2C)CC1 237138546 WRNAPCHZHNISKX-UHFFFAOYSA-N 337.467 3.871 0 50 EHAA CN(Cc1ccc2c3c(cccc13)C(=O)OC2)C[C@H]1CCCCO1 244773728 PFJHGMJHLSQUHO-MRXNPFEDSA-N 325.408 3.511 0 50 EHAA Cc1nnc(CC(=O)N(CC(C)C)[C@@H](C)c2ccccc2Cl)o1 252479649 BJGKBFYIWCGIBL-LBPRGKRZSA-N 335.835 3.820 0 50 EHAA Cc1coc(-c2cccc(NS(=O)(=O)CCCC(F)(F)F)c2)n1 252494492 NXHTWCAAYMBHKY-UHFFFAOYSA-N 348.346 3.734 0 50 EHAA Cc1ccnc(-c2ccc(NC(=O)c3snc(O)c3Cl)cc2)n1 253404425 KUCPXKPKNCQXHZ-UHFFFAOYSA-N 346.799 3.520 0 50 EHAA S=C1O[C@]2(C[C@@H]3C=C[C@@H]4C=C[C@@H]2[C@H]43)[C@@]2(C[C@@H]3C=C[C@@H]4C=C[C@H]2[C@H]43)O1 257357161 MJCXAPCUBRDHDH-JYYXSMFXSA-N 336.456 3.812 0 50 EHAA CC(C)(C)CC(C)(C)NC(=O)c1cc2c(nc1O)CC(C)(C)CC2=O 264318076 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50 EHAA COc1ccc2c(c1)[C@H](NC1CSCCSC1)CC(C)(C)O2 1506395030 ALNZBASRBSGAFT-OAHLLOKOSA-N 339.526 3.736 0 50 EHAA Cn1ccc(C2CCN(Cc3c(F)cccc3Cl)CC2)cc1=O 1772701756 PCLWWXPCOYQFFZ-UHFFFAOYSA-N 334.822 3.557 0 50 EHAA Cc1cc(CCC(=O)N2CCOc3cc(Cl)c(Cl)cc32)on1 1875276153 WZCNCBXKSBCZFI-UHFFFAOYSA-N 341.194 3.648 0 50 EHAA O[C@H](CN=c1cc[nH]c2cnccc12)c1c(Cl)cccc1Cl 2325703741 XTOVTHAMABYCOO-OAHLLOKOSA-N 334.206 3.504 0 50 EHAA CC[C@@H](NC[C@@H]1CCC(F)(F)CO1)c1cc(OC)cc(OC)c1 2325793734 GCCMMUKZGUFUQZ-XJKSGUPXSA-N 329.387 3.559 0 50 EHAA N[C@@H]1CCCc2ccc(C(=O)NCC[C@H]3CCc4ccccc43)cc21 2325864590 SWCCHSTYZWIOEX-DYESRHJHSA-N 334.463 3.873 0 50 EHAA CC(C)N1CCC[C@]2(CCCN2Cc2ccc(F)cc2Cl)C1=O 2356138823 QSHNAVDKZNTREC-GOSISDBHSA-N 338.854 3.845 0 50 EHAA O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1cccs1 141851 WMCBPITWUUHVJB-CYBMUJFWSA-N 327.858 3.927 0 50 EHAA Cc1cc(Br)ccc1OCc1nc(-c2cccnc2)no1 205815 LEBZTMQTAAZFJU-UHFFFAOYSA-N 346.184 3.782 0 50 EHAA O=Cc1cn(CC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc12 264133 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O=C(CC1CC1)NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 11839843 KOMBDQVRDQUGFW-MRXNPFEDSA-N 342.826 3.622 0 50 EHAA O=C(NCc1ccco1)c1cccc(NC(=O)c2ccc(F)cc2)c1 12404448 RGUGCKBQNDAMLW-UHFFFAOYSA-N 338.338 3.601 0 50 EHAA COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1C 12432070 XAMJTDVBOLHIDT-GOSISDBHSA-N 338.451 3.802 0 50 EHAA CC1=C(C(=O)OC(C)C)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 13634995 NYHLRBMDXQBOIB-QGZVFWFLSA-N 337.379 3.870 0 50 EHAA O=C(C1CCOCC1)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 15071439 ZSIGDHWCLGRGGP-AWEZNQCLSA-N 337.410 3.563 0 50 EHAA CC(C)(C)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1 19798404 COMBSXCWDNHHOG-UHFFFAOYSA-N 336.479 3.942 0 50 EHAA Cc1cnccc1Cn1ccc(-c2cccc(-c3nccn3C)c2)n1 20864312 PEKBWTBCUBRUPE-UHFFFAOYSA-N 329.407 3.702 0 50 EHAA COc1ccc(-n2c(S)nnc2-c2ccccc2Cl)c(OC)c1 32919382 HYGSAHNURALWPG-UHFFFAOYSA-N 347.827 3.894 0 50 EHAA COc1cc(F)ccc1-c1ccc(=O)n(Cc2ccc(Cl)cc2)n1 40266964 OAQRFDYVGOVOAY-UHFFFAOYSA-N 344.773 3.760 0 50 EHAA CCc1nc(N[C@@H](Cc2ccccc2)C(=O)O)c2cc(C)sc2n1 41090722 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CCO[C@@H](C)c1ccc(-c2ccc(N3CCSCC3)nn2)cc1 97098926 BYDAIEDZDCFZNH-AWEZNQCLSA-N 329.469 3.794 0 50 EHAA CC(C)c1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)no1 123732463 MJFWOZWGOIXWDB-RDJZCZTQSA-N 341.455 3.581 0 50 EHAA COc1ccc(-c2nnc(Oc3cccc[n+]3[O-])c3ccccc23)cc1 131137908 UUPZNENOZZNYJQ-UHFFFAOYSA-N 345.358 3.731 0 50 EHAA Cc1ccnc(Oc2ccc(NC(=O)N3[C@H](C)CC[C@H]3C)cc2)n1 136182470 SHQUYQRAZSEMRZ-ZIAGYGMSSA-N 326.400 3.982 0 50 EHAA CCCn1c(C)nnc1CN1CCSC[C@@H]1c1ccc(C)cc1 158673638 SUYHIMQFEHASJQ-QGZVFWFLSA-N 330.501 3.595 0 50 EHAA O=C(N1CCC[C@H]1c1csc(-c2ccccc2O)n1)C(F)(F)F 170084263 TUIJAAOCGUOTNR-NSHDSACASA-N 342.342 3.742 0 50 EHAA COc1cc(OC)c(CNc2ncnc3ccc(C)cc23)c(OC)c1 170638358 CYSBJTJQDXYRPB-UHFFFAOYSA-N 339.395 3.576 0 50 EHAA COc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(C)c1 170708328 IMSCHFLITKTCNV-UHFFFAOYSA-N 329.780 3.597 0 50 EHAA CO[C@H](C)c1cccc(NC(=O)c2cn(-c3cccc(C)c3)nn2)c1 170727716 FWOUHLXQQDGXSH-CQSZACIVSA-N 336.395 3.535 0 50 EHAA O=C(Nc1ccccc1-c1ccncc1)N1CCC[C@@H]1Cn1ccnc1 180478530 PWHUJOANEDYSAU-QGZVFWFLSA-N 347.422 3.642 0 50 EHAA Fc1ccc([C@@H]2CN(Cc3ccc4cn[nH]c4c3)CCO2)c(Cl)c1 187505217 YLHDLQXOWNDSKF-SFHVURJKSA-N 345.805 3.929 0 50 EHAA CN(C(=O)Nc1nnc(-c2cc3ccccc3o2)s1)C1CCC1 191791462 QLANGVBRRLMDAU-UHFFFAOYSA-N 328.397 3.968 0 50 EHAA Cc1occc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F 225404317 KZFLYMUNYXZZEJ-XHDPSFHLSA-N 339.313 3.555 0 50 EHAA C[C@H](Cc1ccccc1Br)NC(=O)c1conc1C1CC1 225562335 ZACKOSPESDSAHF-SNVBAGLBSA-N 349.228 3.676 0 50 EHAA CSc1cccc(NC(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c1C 241776861 RTEFOPISLSIBHI-ZBFHGGJFSA-N 333.501 3.665 0 50 EHAA COc1ccc([C@H](NC(=O)N(C)Cc2ccco2)C(F)F)cc1F 252478685 ASIRQEGLYGYUNY-AWEZNQCLSA-N 342.317 3.575 0 50 EHAA CC(C)[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1C 252483984 FLQCXVFMIVYWSN-QGZVFWFLSA-N 325.387 3.840 0 50 EHAA CC(C)C[C@H](C(=O)Nc1nc(-c2cccs2)n[nH]1)n1cccc1 253414281 WZBSNAALTKSPCJ-GFCCVEGCSA-N 329.429 3.561 0 50 EHAA O=C(C1CCC(O)CC1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 253421285 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BHXWYCBOZXTPDA-AWEZNQCLSA-N 341.407 3.899 0 50 EHAA O=C(O)c1cc(NC(=O)c2ccnn2C2CCCC2)ccc1Cl 683313297 PBHHPLJGGZWIQP-UHFFFAOYSA-N 333.775 3.602 0 50 EHAA Cc1ccccc1-c1ccccc1C(=O)NCc1cn(C2CCC2)nn1 824040626 SOECUCWRCIAYMG-UHFFFAOYSA-N 346.434 3.909 0 50 EHAA CC(C)c1scnc1NC(=O)Cc1cccc(C(F)(F)F)n1 936021468 UNTBIXUVLAIBLC-UHFFFAOYSA-N 329.347 3.862 0 50 EHAA CC[C@@]12C[C@H]3C[C@@](O)(C1)C[C@@](C(=O)NCCc1cccs1)(C3)C2 952973028 XTHFYHBKZSLSHI-ZWQIFLOQSA-N 333.497 3.518 0 50 EHAA C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc2c(c1)CCCO2 1474387298 YFYQCEICZIFVLV-INIZCTEOSA-N 348.450 3.785 0 50 EHAA COc1ccc2cc([C@H](C(=O)O)N3CCC(F)(F)CC3)ccc2c1 1506431322 IBDQRRMWPSBQGF-MRXNPFEDSA-N 335.350 3.705 0 50 EHAA Cc1cc(NC[C@@H](CO)Cc2ccco2)nc2cc3c(cc12)CCC3 1704298519 GYVNKICHTQDZEO-HNNXBMFYSA-N 336.435 3.888 0 50 EHAA CC(=O)c1cnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)nc1C 1704313037 KSPLQHKJGICNBI-CQSZACIVSA-N 336.395 3.513 0 50 EHAA Cc1cc(CNC(=O)C2CC3(C2)C[C@@H]3C(=O)O)ccc1-c1ccccc1 1776005841 JNHPSEIXOLHSNM-IMYXXEESSA-N 349.430 3.779 0 50 EHAA Cc1nn(C)c2c1[C@@H](NC1CCN(c3ccccc3F)CC1)CCC2 1857680077 AQVHPFBICGGZQK-KRWDZBQOSA-N 342.462 3.504 0 50 EHAA COc1cccc2cc(CN=c3cc(-c4ccccn4)nc(C)[nH]3)oc12 1875255396 UFWQHAUMKXIZKT-UHFFFAOYSA-N 346.390 3.636 0 50 EHAA Cc1noc2nc(-c3ccccc3)cc(C(=O)N[C@@H]3CC[C@@H]4C[C@@H]43)c12 1875264810 ILNGCVLNXOAMHA-IJEWVQPXSA-N 333.391 3.727 0 50 EHAA O=C(O)Cc1csc(C2CCN(C/C=C/c3ccccc3)CC2)n1 1875282730 PZOIYHSGDWFWHC-QPJJXVBHSA-N 342.464 3.663 0 50 EHAA CCCN1C(=O)CCc2cc(Nc3cc(C)nc(SC)n3)ccc21 1875303379 RNOYFGZTKGJAHS-UHFFFAOYSA-N 342.468 3.940 0 50 EHAA O=C([C@@H]1CNCC12CCCC2)N1C[C@H]2CCCC[C@]21c1ccccc1 1875336039 QRICURPLLGWKBL-DXIQSLLYSA-N 338.495 3.694 0 50 EHAA CC(C)n1cnc2ccc(CN=c3[nH]c(Cl)nc4[nH]ccc34)cc21 1875356962 UCTRMXBWOOZNSO-UHFFFAOYSA-N 340.818 3.576 0 50 EHAA Cn1nc2c(c1-c1nc3cc(-c4ccncc4)ccc3[nH]1)CSCC2 1875408443 WTXBYRIYJFMAGL-UHFFFAOYSA-N 347.447 3.815 0 50 EHAA COc1cc(C(C)=O)ccc1OC(=O)c1ccccc1Br 129407 PLHWLXVLGUUIPX-UHFFFAOYSA-N 349.180 3.880 0 50 EHAA Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cccnc3)cc2)c1 570209 SPGPAEOTFFLAGJ-UHFFFAOYSA-N 331.375 3.895 0 50 EHAA COc1ccc(-c2c(C)nn3c(N)c(-c4ccccc4)cnc23)cc1 611374 QRGUHOVHUIBHCD-UHFFFAOYSA-N 330.391 3.963 0 50 EHAA CC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 1431378 XMHDWZIQLJLKFR-HNNXBMFYSA-N 329.396 3.594 0 50 EHAA O=C(CSc1ncnc2c1oc1ccccc12)NC1CCCCC1 4106794 HHZHRFGRMBIIPL-UHFFFAOYSA-N 341.436 3.917 0 50 EHAA CC(C)CC(=O)N[C@@H](SC1=NCCS1)C(Cl)(Cl)Cl 4279185 DIKZVCFMBQYOSD-QMMMGPOBSA-N 349.736 3.681 0 50 EHAA CC(=O)Nc1ccc(OCC(=O)Nc2ccc(C(C)C)cc2)cc1 4349907 KDJZGMWFPDIANA-UHFFFAOYSA-N 326.396 3.786 0 50 EHAA O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(F)cc1 4709413 IJMJJBOSLHCGAR-UHFFFAOYSA-N 347.349 3.959 0 50 EHAA COc1ccc(OCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 4852032 FHPHXIXUBBAITG-UHFFFAOYSA-N 347.370 3.523 0 50 EHAA CCC[C@H](C)NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 9063712 MWOLWPHLCUJFRZ-ZDUSSCGKSA-N 340.870 3.996 0 50 EHAA CC(C)c1ccc(O[C@@H](C)C(=O)NC2CCN(C(C)C)CC2)cc1 12383017 IHRZCFXLLCPJCQ-INIZCTEOSA-N 332.488 3.566 0 50 EHAA C[C@@H](O)c1nc2ccccc2n1Cc1ccc(Br)cc1 12383969 ITVCUWAUKOUKKK-LLVKDONJSA-N 331.213 3.900 0 50 EHAA COc1cccc(CN2CCC[C@H](Nc3ccc(F)cc3)C2)c1OC 12580116 SILBCKPSPJCXRC-SFHVURJKSA-N 344.430 3.919 0 50 EHAA Cc1cc2c(NC[C@@]3(c4ccc(F)cc4)CCOC3)cccc2nn1 19148801 CVJIJEBJAXZAKK-FQEVSTJZSA-N 337.398 3.848 0 50 EHAA COc1cccc(OC)c1CN1CCC[C@@H](c2[nH]ncc2C(C)C)C1 20452758 ZIHCFNAOCRPBIZ-OAHLLOKOSA-N 343.471 3.930 0 50 EHAA CN(C)C[C@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 55119003 IRAUJYHZJCZBIE-IBGZPJMESA-N 338.430 3.608 0 50 EHAA CCC(F)(F)C(=O)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65371363 XUXGLABHQBKAAK-DLBZAZTESA-N 333.378 3.562 0 50 EHAA COCCCN1CCOc2c(O)cc(-c3ccccc3C)cc2C1 67447097 ZAPXQXJXSZLTQD-UHFFFAOYSA-N 327.424 3.599 0 50 EHAA CN1CC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 67603514 IWYWWNVGLXSREP-OAHLLOKOSA-N 325.412 3.552 0 50 EHAA Cc1csc([C@H](C)N(C)C(=O)c2ccc(CCC(C)(C)O)cc2)n1 72430148 VXCDWJCTASCXSG-AWEZNQCLSA-N 346.496 3.988 0 50 EHAA O=C1CCCc2c1[nH]c1cc(-n3ccnc3-c3ccc(CO)o3)ccc21 77438697 DHSLVRJANCHBBS-UHFFFAOYSA-N 347.374 3.625 0 50 EHAA Cc1ccccc1OC1CCN(c2ccc(Cl)c(C(=O)O)n2)CC1 95530080 UAEWPWBZQGFGEG-UHFFFAOYSA-N 346.814 3.789 0 50 EHAA Cc1ccc(O)c(C(=O)CC(=O)c2ccc(Br)cc2)c1 101064661 FAPPXMYLPGYRAB-UHFFFAOYSA-N 333.181 3.919 0 50 EHAA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc(-c3cccnc3)on2)C1 101311136 GPLKDHFXOGZRBC-IFXJQAMLSA-N 325.412 3.777 0 50 EHAA CC(C)(C(=O)Nc1ccc(CN2CCOC2=O)cc1)c1cccs1 115037241 VLORJCGKESKUJQ-UHFFFAOYSA-N 344.436 3.617 0 50 EHAA CSc1ccccc1N(C)C(=O)c1ccncc1Br 119605578 PKWCJLCHZLYRFV-UHFFFAOYSA-N 337.242 3.843 0 50 EHAA CN(Cc1nc(-c2ccccc2)c[nH]1)C[C@@H](O)c1ccc(F)cc1F 133612522 GEGIQLPBTNIDLP-GOSISDBHSA-N 343.377 3.520 0 50 EHAA COc1cc(C)cc2c1OCC[C@H]2NC(=O)N1CCC[C@@H]1C(C)C 170616933 ADLQHAXXJLWORW-HZPDHXFCSA-N 332.444 3.657 0 50 EHAA Cc1ccc2c(c1)[C@@H](NCc1cccc(CN3CCCC3=O)c1)CC2 177995072 ZBSHJJFWEWZQAD-NRFANRHFSA-N 334.463 3.895 0 50 EHAA CC(C)c1ccc([C@@H](NC(=O)c2csc(CN)n2)C(C)C)cc1 178343766 QUSPGRXQABRZMF-KRWDZBQOSA-N 331.485 3.852 0 50 EHAA CN(C(=O)c1cccc(Br)c1Cl)c1ncccc1F 181126967 YDAMNJPOZJMYKG-UHFFFAOYSA-N 343.583 3.913 0 50 EHAA Oc1cccc(CNC2CCC(Oc3ncccc3Cl)CC2)c1 186514092 ATTHYHBDOFIALY-UHFFFAOYSA-N 332.831 3.920 0 50 EHAA Cc1cc([C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)ccc1F 221040268 VVAKZLAABFIUDS-UKRRQHHQSA-N 337.391 3.702 0 50 EHAA O=C(N[C@@H]1COC2(CCCC2)C1)c1ccc(N2CCCCC2)cc1 223866500 DAGQXMUNSIKEJH-KRWDZBQOSA-N 328.456 3.508 0 50 EHAA FCCCN(Cc1cccc(Br)c1)C1CCOCC1 225528737 BEGLXDYNXYEKQO-UHFFFAOYSA-N 330.241 3.790 0 50 EHAA CC(=O)N1CC[C@H](Nc2nc3ccccc3o2)c2ccc(F)cc2C1 241231228 KTEKIXKMDRARQP-INIZCTEOSA-N 339.370 3.872 0 50 EHAA Cc1cc([C@@H]2CCCCN2Cc2cncn2Cc2ccccc2)no1 244874760 XGWMTZIKBZRRMF-FQEVSTJZSA-N 336.439 3.955 0 50 EHAA Cc1[nH]c2ccc(C(=O)NC[C@H]3CCCN4CCCC[C@@H]34)cc2c1C 253535003 CKESOXJUHXOFCW-XLIONFOSSA-N 339.483 3.779 0 50 EHAA Cc1nc(C(=O)Nc2ccc(F)c(F)c2)nn1-c1cccc(Cl)c1 261490562 IYVDTRPIEKKNMP-UHFFFAOYSA-N 348.740 3.760 0 50 EHAA O=C(COCC(F)(F)F)NC1CCC(c2ccc(F)cc2)CC1 272708491 AJTXXTPRDBYZBZ-UHFFFAOYSA-N 333.325 3.547 0 50 EHAA O=C(C1CCC(F)(F)CC1)N1CCC(c2ccccc2CO)CC1 328587646 DSBMLWWTEAXRKF-UHFFFAOYSA-N 337.410 3.710 0 50 EHAA O=C(N=c1cc(-c2cc(F)cc(F)c2)[nH][nH]1)c1cc2sccc2[nH]1 429804740 DERHHOGYBXFJFL-UHFFFAOYSA-N 344.346 3.572 0 50 EHAA Cc1ccc2oc(CNC(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc2c1 666474769 KMZZSBLFPPLIID-CQSZACIVSA-N 338.411 3.554 0 50 EHAA C[C@H](NC(=O)N[C@@H]1CCCc2ccccc2C1)c1cncc(F)c1 894114148 ZOHWCXCYFPDCCY-SCLBCKFNSA-N 327.403 3.529 0 50 EHAA CCSc1nc(C)c([C@@H](CC)C(=O)NC[C@]2(C)CCOC2)s1 952994454 VEMYXHPXQQYROF-WBMJQRKESA-N 342.530 3.600 0 50 EHAA COc1ccc(OC)c(NC(=O)N2CCC[C@@]3(CCC[C@H]3OC)C2)c1 1704336072 FWRIAPPZDDHXGT-MJGOQNOKSA-N 348.443 3.517 0 50 EHAA Cc1nc(C=Cc2cc(C)c3ncccc3c2)nc(O)c1CCC(=O)O 1857528153 KRXGIROTMAWYIY-UHFFFAOYSA-N 349.390 3.535 0 50 EHAA Cc1cc(C)cc(/C=C/C(=O)Nc2ccccc2N2CCOCC2)c1 1875350539 RBJBEBUVLGXEMY-BQYQJAHWSA-N 336.435 3.792 0 50 EHAA O=S(=O)(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)no1 1875359749 OVRYQCHVKRMCRT-UHFFFAOYSA-N 334.784 3.796 0 50 EHAA Cc1cc(C)c2c(n1)CCC[C@H]2NCCc1nnc(-c2ccccc2)o1 2325756284 WJOMKLQRTDBNJH-QGZVFWFLSA-N 348.450 3.958 0 50 EHAA Cc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)ccn1 2325782426 YVFYRNXJMMBRAA-UHFFFAOYSA-N 330.815 3.727 0 50 EHAA CC(C)(C)[C@@]1(O)CC(C(F)(F)F)=NN1C(=O)CCc1ccccc1 48488 NVSYXRSZSSDCGI-INIZCTEOSA-N 342.361 3.505 0 50 EHAA Cn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2ccccc21 103882 PXQZWDNMZXRGED-UHFFFAOYSA-N 330.313 3.990 0 50 EHAA C[C@H](NC(=O)Nc1ccc(Br)cc1Cl)[C@@H]1CCCO1 611191 KDXAXJKBXLVHHA-UFBFGSQYSA-N 347.640 3.792 0 50 EHAA CCCCOC(=O)c1c(N)n(CCCC)c2nc3ccccc3nc12 2997705 XXKMJEBDWHZBEE-UHFFFAOYSA-N 340.427 3.924 0 50 EHAA CCn1c(=O)n(CC)c2cc(NC(=O)c3ccccc3Cl)ccc21 4385315 VARFAHJSFDAJAF-UHFFFAOYSA-N 343.814 3.749 0 50 EHAA Cc1cc(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)cc(C)c1Cl 5051614 DRPZDBYGBLRKOR-OWCLPIDISA-N 325.880 3.959 0 50 EHAA CCOC(=O)c1cccc(CSCC(=O)Nc2ccccc2)c1 5550537 YYNHXZGANOQUSC-UHFFFAOYSA-N 329.421 3.735 0 50 EHAA O=C(c1ccc(F)c(F)c1)N1CCC[C@H](Nc2ccc(F)cc2)C1 11879221 RJMFMVYOLLSLIV-HNNXBMFYSA-N 334.341 3.821 0 50 EHAA CCN(CC)C(=O)[C@@H](C)Sc1cc(C)c2cccc(OC)c2n1 11907472 UKDDJXLMFPVLMS-CYBMUJFWSA-N 332.469 3.901 0 50 EHAA O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(F)cc1F 12137887 GZGDOARKMWTHCL-OAHLLOKOSA-N 333.334 3.775 0 50 EHAA COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4ncc[nH]4)C3)ccc2c1 12305395 AJQLGIVUWISQPO-GOSISDBHSA-N 349.434 3.666 0 50 EHAA COc1ccccc1CN[C@@H]1CCCc2nc(-c3cccnc3)ncc21 12575598 SOSRHNQUHDYSSX-GOSISDBHSA-N 346.434 3.714 0 50 EHAA CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc2c(c1)OCCO2 13327524 CURNYUREDYVDMR-OAHLLOKOSA-N 327.380 3.562 0 50 EHAA COc1ccc(NC(=O)c2cccnc2NCCc2ccccc2)cc1 19856994 JKISRGBCRDYCGT-UHFFFAOYSA-N 347.418 3.997 0 50 EHAA Cc1c(CN[C@@H]2CCCN(Cc3ccccn3)C2)c2ccccc2n1C 23373035 WQTSJYUCTCEVAS-LJQANCHMSA-N 348.494 3.636 0 50 EHAA C/C(=C\c1ccco1)c1c(-c2ccccc2)ncn1[C@H](C)c1nnn[nH]1 67909569 NNILDLLWMGVGQF-YPDDLIOESA-N 346.394 3.826 0 50 EHAA Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1O 71754797 FYXITYUZLZJGPF-KRWDZBQOSA-N 331.799 3.568 0 50 EHAA COc1coc(CN2CCC[C@H](CCc3ccccc3C)C2)cc1=O 72163629 KSNASBLXUXOQLS-QGZVFWFLSA-N 341.451 3.802 0 50 EHAA Cc1nc(CC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)cs1 72463097 UXUYLHMLDDJVCS-UHFFFAOYSA-N 325.437 3.667 0 50 EHAA Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cccc2cc[nH]c12 79841251 FVUQEDHEEMFJDU-UHFFFAOYSA-N 347.418 3.965 0 50 EHAA Cc1nccn1CC[C@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 82092685 DURQZZCWEDYWBF-GOSISDBHSA-N 336.439 3.758 0 50 EHAA Cc1c(CN(C)C(=O)c2cc(CC(C)C)nn2C)[nH]c2ccccc12 82157213 GQWCCISDDCIESL-UHFFFAOYSA-N 338.455 3.681 0 50 EHAA Cc1nonc1[C@@H]1CCCN1Cc1cc(O)c2cccc(Cl)c2n1 91848106 HAVLFPMAQDIJOQ-AWEZNQCLSA-N 344.802 3.622 0 50 EHAA CC(C)c1ccnc(N2CCC(O)(c3ccc(Cl)cc3)CC2)n1 92046905 CFVZVNUWTNLENH-UHFFFAOYSA-N 331.847 3.741 0 50 EHAA Cc1ccc2nc(C)c(C)c(C(=O)NCC3(Cn4cccn4)CC3)c2c1 95509323 WMLZHTSPFURCMS-UHFFFAOYSA-N 348.450 3.567 0 50 EHAA CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H](C)c2cccnc2)C12CCCC2 110639517 HDIPDVYUEBKMHI-HYVNUMGLSA-N 331.460 3.522 0 50 EHAA Cc1ccc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)o1 123493383 COZFRGNOGNXGGT-KBPBESRZSA-N 339.313 3.555 0 50 EHAA Cc1noc(-c2ccccc2)c1NC(=O)N[C@@H]1COc2ccccc21 126687574 SZCVSXXOSMWUDM-OAHLLOKOSA-N 335.363 3.905 0 50 EHAA Cc1cccn(CC(=O)N(C2CC2)[C@@H](C)c2ccc(Cl)cc2)c1=O 180807391 GMYDFSXHZSUJIF-AWEZNQCLSA-N 344.842 3.562 0 50 EHAA Cc1nc2ccc(NC(=O)Nc3cnn([C@@H](C)C4CC4)c3)cc2o1 188495683 NYNWJIVTZOYELO-JTQLQIEISA-N 325.372 3.948 0 50 EHAA CC(C)c1nc(CCNC(=O)c2c[nH]nc2-c2ccsc2)cs1 189495209 RNEYULJUFCHEHU-UHFFFAOYSA-N 346.481 3.691 0 50 EHAA Cc1nc2ccc(CNC(=O)c3cc(F)c(F)cc3Cl)cc2[nH]1 221349651 MTTSKZRZCFSYIU-UHFFFAOYSA-N 335.741 3.733 0 50 EHAA Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]1CCNC1 225472003 HLAQTGXCTIMJCD-GWCFXTLKSA-N 349.887 3.559 0 50 EHAA C[C@@H](Oc1ccccc1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 241121717 JDKBAAGTXHEXLH-OAHLLOKOSA-N 349.434 3.736 0 50 EHAA CC(=O)c1cc(CN(C)[C@H]2CCN(Cc3ccccc3)C2)cs1 244811522 SGAVBXBPCQMLAN-SFHVURJKSA-N 328.481 3.657 0 50 EHAA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCc1nc(Cc2ccccc2)no1 248125603 WWAVLVHMJXWSMO-HLLBOEOZSA-N 341.455 3.534 0 50 EHAA O=C(Nc1ccc(NC2CCOCC2)cc1)[C@@H](O)CC1CCCCC1 252507432 WLPIKJLQDCQHSY-IBGZPJMESA-N 346.471 3.547 0 50 EHAA Cc1ccc(O)c(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)n1 278602139 FTPOGMHOHUYPNO-HNNXBMFYSA-N 339.439 3.722 0 50 EHAA O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1cnc(C2CC2)nc1 295172336 OOAIFSIPBRIDPR-YOEHRIQHSA-N 325.387 3.559 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cccc(-c2nccs2)c1 299777084 IMPOZZQXKODPMZ-CYBMUJFWSA-N 340.452 3.983 0 50 EHAA COc1ccc([C@H](O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1 328587673 FBQVDSZPKYJEFF-MSOLQXFVSA-N 344.386 3.564 0 50 EHAA C[C@H](C1CCCCC1)N(C)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C 331563434 GSAHSHRWEVUQFJ-GDBMZVCRSA-N 348.491 3.747 0 50 EHAA O=C(NCc1nccn1CCCc1ccccc1)c1sccc1F 342392547 JXTREQJCQUYICR-UHFFFAOYSA-N 343.427 3.647 0 50 EHAA Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)c2cscn2)c1 408515713 MIRXSWULFGHIIG-UHFFFAOYSA-N 332.816 3.675 0 50 EHAA Cc1ncccc1-c1noc([C@H](C)[C@@H]2OCCc3sccc32)n1 426569921 GHPIBOACEREBSM-BMIGLBTASA-N 327.409 3.919 0 50 EHAA CC[C@@H](C)C(=O)Nc1ccccc1C(=O)N(C)Cc1csc(C)n1 822559911 BMSNYNOOEVJIGG-GFCCVEGCSA-N 345.468 3.708 0 50 EHAA Cc1nc(-c2cccc(NC(=O)c3ccc(C)n3C(F)F)c2)n[nH]1 825292369 KYKFCXNQZWVWQV-UHFFFAOYSA-N 331.326 3.537 0 50 EHAA C[C@@H](NC[C@H]1CC2(CCNCC2)CO1)c1ccc(F)c2ccccc12 873294681 XXYGGCNQTUNICZ-HZPDHXFCSA-N 342.458 3.788 0 50 EHAA CC(C)c1ccc(CNC(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cc1 1468230115 LGCZIRHYSBAYJR-UGSOOPFHSA-N 340.414 3.764 0 50 EHAA CN(CC[C@H]1CCCCO1)C(=O)Cc1ccc(C(F)(F)F)cc1 1506418426 XWJAEYHCMDZDAP-OAHLLOKOSA-N 329.362 3.666 0 50 EHAA Cc1ccc(CN2CCCN(C(=O)c3csc(C(C)C)n3)CC2)o1 1529180183 CJVGJTKDTOXIHY-UHFFFAOYSA-N 347.484 3.516 0 50 EHAA CC(C)(C)c1nnc(NC(=O)c2c(Cl)ccc3c[nH]nc23)s1 1775999363 PJZDWEKXYIWFFG-UHFFFAOYSA-N 335.820 3.618 0 50 EHAA O=C(NC1CCCC1)C1CCN(c2nc3ccc(Cl)cc3o2)CC1 1857714872 QHLYOIJXDNAXDP-UHFFFAOYSA-N 347.846 3.756 0 50 EHAA CO[C@H](C(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21)c1cc(F)cc(F)c1 2325766396 ALFZBXJSCJRBRA-ONUMYQOESA-N 347.361 3.681 0 50 EHAA Fc1ccccc1-c1cc(CN2CC[C@@H](Cc3ccccn3)C2)no1 2325790894 SZWFDWZWGXQLBW-HNNXBMFYSA-N 337.398 3.940 0 50 EHAA Cc1ccc(C[C@@H](O)CN[C@H](CC(C)C)c2ccccn2)c(C)c1 2325842154 PTFXPNBMJIVVDC-TZIWHRDSSA-N 326.484 3.979 0 50 EHAA COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccccc1 360157 QFUOWZOXYYUTPI-SFHVURJKSA-N 327.424 3.543 0 50 EHAA Cc1cc(OCc2nc(-c3cccnc3)no2)ccc1Br 376110 PVFSXEOAUNHSOB-UHFFFAOYSA-N 346.184 3.782 0 50 EHAA Cc1cccc(-c2nnc(SCC(=O)NC3CCCCC3)o2)c1 421850 PGQKSIRFLIKWDD-UHFFFAOYSA-N 331.441 3.586 0 50 EHAA Cc1cc(C)n(-c2nc(-c3ccccc3)nc3c2COC(C)(C)C3)n1 527222 HASVYWAGGCSLLX-UHFFFAOYSA-N 334.423 3.797 0 50 EHAA O=C1C[C@@H](c2ccco2)Cc2nc(N3CCc4ccccc4C3)ncc21 541723 KVTHVFBNISWLNO-INIZCTEOSA-N 345.402 3.545 0 50 EHAA CCN(CCO)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 1530652 XXSMGPRMXLTPCZ-CQSZACIVSA-N 335.879 3.783 0 50 EHAA biogenic,fda CCCOc1ccc2c(C)c(CCC(=O)OCC)c(=O)oc2c1C 2147917 DTBFITSNCALZTL-UHFFFAOYSA-N 332.396 3.694 0 50 EHAA biogenic Cc1nn2c(NC[C@H]3CCCO3)c3c(nc2c1-c1ccccc1)CCC3 2359858 TWSWMYGKRGBQJT-MRXNPFEDSA-N 348.450 3.784 0 50 EHAA Cc1cc(Br)c(NC(=O)CN2CCC[C@@H](C)C2)cc1C 9996383 ORDCDLFOUVDDAX-LLVKDONJSA-N 339.277 3.736 0 50 EHAA CC[C@H](C)CNC(=O)CCc1nnc(CCCCc2ccccc2)o1 11844345 HWKGDOFUZQSZGY-INIZCTEOSA-N 343.471 3.730 0 50 EHAA Cc1ccc2occ(CN3Cc4ccccc4O[C@@H](C)C3)c(=O)c2c1 11999724 BDFGDTYUOAPMPK-HNNXBMFYSA-N 335.403 3.885 0 50 EHAA OC[C@@]1(CCOc2ccccc2)CCCN(CCc2ccccc2)C1 12715529 PUNZOOJILYHJHK-JOCHJYFZSA-N 339.479 3.773 0 50 EHAA COC(=O)c1cccc(NC(=O)Nc2ccccc2Br)c1 13745438 VMZAARVSHQHOLW-UHFFFAOYSA-N 349.184 3.880 0 50 EHAA O=C(Nc1ccccc1)[C@H]1CC12CCN(C(=O)c1ccsc1)CC2 14977846 CKKIZOJTFHLGEQ-MRXNPFEDSA-N 340.448 3.629 0 50 EHAA COCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cccc(C)c1 15078314 CHKVUYMBQXGZLX-NRFANRHFSA-N 334.419 3.597 0 50 EHAA CC(C)c1c(C(=O)NC2CCCC2)nnn1-c1ccc(Cl)cc1 16649204 RDZGCCYHLHNDSG-UHFFFAOYSA-N 332.835 3.717 0 50 EHAA Cc1cc(C)cc(OC[C@@H](O)Cn2c(C3CC3)nc3ccccc32)c1 16903723 NEMHDDDDKNOAFC-KRWDZBQOSA-N 336.435 3.970 0 50 EHAA Cc1nc(CCNc2ccc(-c3nc(C(C)C)no3)cn2)sc1C 19148604 FXLFGCNCWGSZPN-UHFFFAOYSA-N 343.456 3.983 0 50 EHAA CC(C)CN1CC[C@H]2[C@H](CCCN2Cc2ccc3nsnc3c2)C1 20538052 JCLBMAXCKBKDPA-APWZRJJASA-N 344.528 3.634 0 50 EHAA Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3F)no2)on1 21718495 IKSUVUOSCCSTIU-HNNXBMFYSA-N 341.342 3.754 0 50 EHAA CCCc1cc([C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)no1 33270273 MVXLGTQEITUBDB-KRWDZBQOSA-N 348.468 3.770 0 50 EHAA Cc1ccccc1NC(=O)N1CCN(C/C=C/c2ccccc2)CC1 55087914 YEISQUGEDDGVQW-YRNVUSSQSA-N 335.451 3.858 0 50 EHAA Cc1ccnc(C[C@@H](C)N(C)C(=O)c2ccc3ncsc3c2)c1 55269515 RDQLYEJTGXZTLX-CYBMUJFWSA-N 325.437 3.703 0 50 EHAA CCc1cc([C@H]2CCCN2C(=O)Nc2ccc(OC)cc2OC)on1 64985168 VWYJUPHKCSYHFZ-OAHLLOKOSA-N 345.399 3.623 0 50 EHAA Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1O 71754798 FYXITYUZLZJGPF-QGZVFWFLSA-N 331.799 3.568 0 50 EHAA COC[C@@H](C)C1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1 72432359 PCXLMBKKNYSENT-QGZVFWFLSA-N 333.516 3.885 0 50 EHAA O=C(CCCN1CCCCC1)N[C@@H](c1ccccc1)c1ccncc1 74350241 ODDOFIZJRIYMBP-NRFANRHFSA-N 337.467 3.553 0 50 EHAA CN(CCn1ccc2ccccc21)C(=O)c1cccc(-n2cccn2)c1 77342860 UIMATGLFSYRYOK-UHFFFAOYSA-N 344.418 3.599 0 50 EHAA Cc1ccccc1SC1CCN(C(=O)CCn2ccnc2C)CC1 77535870 NRMJNIQIDRTHJL-UHFFFAOYSA-N 343.496 3.673 0 50 EHAA CN(Cc1cccc2ncccc12)C(=O)Cc1cn(C)c2ccccc12 77537604 JCWUTSUWGKDSAU-UHFFFAOYSA-N 343.430 3.928 0 50 EHAA CCc1cc(NC[C@@H](c2ccc(Cl)cc2)N2CCCC2)ncn1 95390922 SEWMCQCPCLJOSF-KRWDZBQOSA-N 330.863 3.941 0 50 EHAA CCN(C)C1(CNc2nccc(-c3ccccn3)n2)CCCCC1 97468484 JJPSKXJWXDMHHU-UHFFFAOYSA-N 325.460 3.605 0 50 EHAA CCOc1ncc(C(=O)N2CCCc3cccc(OC)c32)cc1Cl 112234306 DQXHJQFGCUWBKA-UHFFFAOYSA-N 346.814 3.735 0 50 EHAA O=S(=O)(c1cc(F)cc(F)c1)N1CC=C(c2cccs2)CC1 117932427 LIJOPGMCBQUOBQ-UHFFFAOYSA-N 341.404 3.504 0 50 EHAA CCCC(=O)Nc1ccc(N(C)C(=O)CCC)c(Br)c1 119466005 PHJDKFREFQCOGY-UHFFFAOYSA-N 341.249 3.951 0 50 EHAA COCC1CCN(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)CC1 121148193 ZBSHKLBZXXYGQP-UHFFFAOYSA-N 343.427 3.849 0 50 EHAA C[C@@H](NC(=O)c1ccc2nccnc2c1)c1cccc(OC(F)F)c1 121660870 UQABWGQTLINEOJ-LLVKDONJSA-N 343.333 3.722 0 50 EHAA O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1noc2c1CCCCC2 124955709 CFGUQQXFTGZOET-WDEREUQCSA-N 330.350 3.794 0 50 EHAA CCCOc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 131245484 VGSHHKLKCDHWNT-CQSZACIVSA-N 342.370 3.679 0 50 EHAA O=C(Nc1ccncc1F)C1(c2cccc(Br)c2)CC1 132163959 LCBSPAVVESQFDX-UHFFFAOYSA-N 335.176 3.654 0 50 EHAA COc1ccc2[nH]cc(CC(=O)N3CCC[C@@H]3c3cccc(C)n3)c2c1 167214988 CKDMJVHWIXQDTI-HXUWFJFHSA-N 349.434 3.786 0 50 EHAA O=C1C[C@H](c2noc(-c3cccc(F)c3)n2)CN1C1CCCCC1 169762197 BNDWKINBOCWCNE-ZDUSSCGKSA-N 329.375 3.524 0 50 EHAA Cc1cc(C)n(-c2cncc(NC[C@H]3CCCc4ccccc43)n2)n1 170618534 QBKDXIVWZUBWRF-QGZVFWFLSA-N 333.439 3.811 0 50 EHAA CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CCOc2ccc(F)cc21 180607151 INJKNGGFLZBQQW-INIZCTEOSA-N 345.418 3.945 0 50 EHAA CC[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H](C)c1c(C)n[nH]c1C 183851366 KQABHTRTMBDEGV-FZKQIMNGSA-N 325.456 3.884 0 50 EHAA O=C(Nc1ccc(Oc2cccc(Cl)c2)cc1)N1CC(CO)C1 192210002 JJBSZNSCNQAMRD-UHFFFAOYSA-N 332.787 3.588 0 50 EHAA COCc1cccc(C(=O)NC2c3ccccc3-c3ccccc32)n1 215922899 WQKTZEHTQJIXAB-UHFFFAOYSA-N 330.387 3.728 0 50 EHAA COc1cccc2c1OCCCN(C(=O)c1cc3sccc3[nH]1)C2 216469608 CIECHSRIGIAVFY-UHFFFAOYSA-N 342.420 3.663 0 50 EHAA Cc1cc(C)cc(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CCC2)C3)c1 216497903 JOWNECJWDYHGSY-ICSRJNTNSA-N 326.484 3.640 0 50 EHAA COCCCCN1CCN(Cc2ccc(C)c(Cl)c2Cl)CC1 222892970 GSSXIBHVTNIAPQ-UHFFFAOYSA-N 345.314 3.846 0 50 EHAA C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccnc(C(=O)O)c1 237547528 AKGIIJUHQWTYLW-RYUDHWBXSA-N 346.814 3.697 0 50 EHAA COCc1ccc(NC(=O)NCc2cc(-c3ccccc3)on2)cc1 241316900 LVXAOAKSUDDXEJ-UHFFFAOYSA-N 337.379 3.810 0 50 EHAA Cc1c(C(=O)N(C)CCc2noc(C3CC3)n2)sc2ccccc12 244787816 QEDLJYVKJMYFTE-UHFFFAOYSA-N 341.436 3.785 0 50 EHAA CO[C@@H](C)c1nsc(N2CCC[C@H]2CC(=O)c2ccc(F)cc2)n1 253398607 XSZQJEPBJMKLCC-FZMZJTMJSA-N 349.431 3.626 0 50 EHAA C[C@@H](NC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1)c1cn[nH]c1 280931265 OZVUSSFHULBAKX-CYBMUJFWSA-N 346.862 3.887 0 50 EHAA CC(=O)OCCCc1cccc(N[C@H]2CCO[C@H](C(F)(F)F)C2)c1 289550640 GFYINKPUALBDNZ-HOTGVXAUSA-N 345.361 3.704 0 50 EHAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(F)cc2cccnc12 299741015 CVADWYORZGCPAP-ZLIFDBKOSA-N 328.387 3.592 0 50 EHAA CCCC[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1cccnc1 299781386 DPWYIIOUMURGGO-INIZCTEOSA-N 326.396 3.514 0 50 EHAA Cc1oc2c(c1C(=O)NCCc1csc(C(C)C)n1)C(=O)CCC2 299785388 ZDQNRNJKNHWOCZ-UHFFFAOYSA-N 346.452 3.659 0 50 EHAA CC1(C)Cc2cc(CNc3cn(Cc4ccccc4)nn3)ccc2O1 328591536 XLEVEIRSVJKFJP-UHFFFAOYSA-N 334.423 3.652 0 50 EHAA Cc1cc(C)nc(-c2noc([C@@H](CC(C)C)N3CCCCC3=O)n2)c1 329732075 QAWUYFWCXHGPBK-MRXNPFEDSA-N 342.443 3.848 0 50 EHAA Cc1ccc([C@@H](NC(=O)Nc2cncc(F)c2)c2ccccn2)cc1 370250199 HHQBCQJPXTUNHT-GOSISDBHSA-N 336.370 3.835 0 50 EHAA CSCc1cccnc1C(=O)NCc1cnccc1C(C)(C)C 412566272 UJLIACCGDUBWDB-UHFFFAOYSA-N 329.469 3.567 0 50 EHAA CSc1ncc(C(=O)O)c(-c2cccc([C@H](C)N3CCCC3)c2)n1 534653755 VXYFWKFHLOIDGF-LBPRGKRZSA-N 343.452 3.721 0 50 EHAA CCc1nc(-c2cccc(C(=O)NCc3cncn3CC)c2)ccc1C 584896409 IFMPSIFNFNLLGJ-UHFFFAOYSA-N 348.450 3.766 0 50 EHAA CCc1nccn1CCC(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 823557210 HDOURJFAPZUUTJ-MRXNPFEDSA-N 341.455 3.563 0 50 EHAA Cc1cccc(N2CCC(NC(=O)c3cccc4c3CCC4=O)CC2)c1 825218677 IKZZQKSSQMQYLC-UHFFFAOYSA-N 348.446 3.523 0 50 EHAA FC(F)(F)Oc1ccc(-n2nc(C3CC3)nc2-c2cncnc2)cc1 825700735 IDEVJWBVGCQBRR-UHFFFAOYSA-N 347.300 3.500 0 50 EHAA O=C(NC[C@@H]1C[C@H]1C(F)(F)F)Nc1cc(-c2ccccc2)on1 1354677721 ZNAZYNSHSPPRNB-WDEREUQCSA-N 325.290 3.662 0 50 EHAA Cc1cc(F)ccc1N1CCC(NCCSc2ccccn2)CC1 1506399080 ACKQQUWGFJDNKX-UHFFFAOYSA-N 345.487 3.880 0 50 EHAA C=CC(=O)N(Cc1cnn(C2CCC2)c1)[C@H]1CCCc2occc21 1875382873 VDQSIVMNETUSHE-KRWDZBQOSA-N 325.412 3.793 0 50 EHAA CCOc1ccc([C@@H](C)NC(=O)c2ccc(O)nc2C(C)C)cc1F 2100483481 XJEZLJBQPOXVMD-GFCCVEGCSA-N 346.402 3.939 0 50 EHAA CC(C)c1ccc(NC(=O)[C@H](C)SCCc2cnccn2)cc1 2325772634 IIEBXUHLZNJBLC-AWEZNQCLSA-N 329.469 3.903 0 50 EHAA Cc1csc(C[C@H]2CCCN2C(=O)N[C@H]2CCC3(CCC3)C2)n1 2325791744 CQTWHESVYSWEJT-LSDHHAIUSA-N 333.501 3.891 0 50 EHAA CCS[C@H]1CCC[C@@H]1NC(=O)N1CCC(c2cc(C)no2)CC1 2325818413 LPTVSWVJCTURDM-HOCLYGCPSA-N 337.489 3.546 0 50 EHAA O=C(Nc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)nc1)C1CCC1 2325822645 GJOGAILOCKZRPX-CVEARBPZSA-N 327.428 3.585 0 50 EHAA Cc1ccc(OCCC(=O)NCC(C)(C)c2cccnc2)c(Cl)c1 2325855332 STXWVRRFDFDUMG-UHFFFAOYSA-N 346.858 3.906 0 50 EHAA COc1ccc2cc(CN[C@@H](C)c3cnn4ncccc34)ccc2c1 2325856697 ZQPKOICWYOSGNE-AWEZNQCLSA-N 332.407 3.742 0 50 EHAA O=S(=O)(c1ccccc1-c1ccccc1)N1C[C@H]2C[C@H]3C[C@H]2[C@H]1C3 2325870104 KDKPVFWHVVPUKZ-RGIVZKHGSA-N 339.460 3.773 0 50 EHAA CC(=O)Oc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 60669 IQXFLFVMWVKPAS-UHFFFAOYSA-N 346.386 3.854 0 50 EHAA COc1cccc(-c2csc(NC(=O)COc3ccccc3)n2)c1 151312 HSDZHIMJBHGLPU-UHFFFAOYSA-N 340.404 3.836 0 50 EHAA COc1cc(SC)ccc1C(=O)Nc1cccc(NC(C)=O)c1 455980 BTYAFCSZYHUZSX-UHFFFAOYSA-N 330.409 3.628 0 50 EHAA CC(=O)Oc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 484965 YMIXOAMXVUGGQA-UHFFFAOYSA-N 341.388 3.566 0 50 EHAA CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2ccc(Cl)cc2)NC(=O)N1 974502 FYUSETWRSLPLMK-HQQWDMGQSA-N 348.830 3.700 0 50 EHAA CCn1ncc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c1C 2804086 HVHMGLUKNCABOT-GFCCVEGCSA-N 330.432 3.603 0 50 EHAA CCCN(CCC)S(=O)(=O)c1cc(Cl)c(C)cc1OCC 2884967 RLRWLCVKVXSXKU-UHFFFAOYSA-N 333.881 3.858 0 50 EHAA O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc2oc3c(c2c1)CCCC3 4788694 VLLLKBSANCJDDA-GJZGRUSLSA-N 339.391 3.917 0 50 EHAA COc1ccccc1N1CCN(C2C3CC4CC(C3)CC2C4)CC1 4981204 DFYFPBPADFHWFI-UHFFFAOYSA-N 326.484 3.642 0 50 EHAA CCC(CC)C(=O)c1c[nH]c(C(=O)NCc2ccccc2OC)c1 5524449 AFECEPKAEGXMAS-UHFFFAOYSA-N 328.412 3.572 0 50 EHAA NC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 6697642 YUPMOSUBYWRHEX-UHFFFAOYSA-N 346.386 3.617 0 50 EHAA Cc1ccc(Cl)cc1-n1nnc(C(=O)Nc2ccc(F)cc2)c1C 8021640 CXAINKQCPYIJRE-UHFFFAOYSA-N 344.777 3.929 0 50 EHAA CCn1ncc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)c1C 14949036 HAXNYXKWJFGLGJ-MRXNPFEDSA-N 345.874 3.960 0 50 EHAA CCCC(=O)NC[C@H]1Cc2cc(-c3ccccc3C(C)=O)ccc2O1 14957700 YGRARJRTYXGSNQ-QGZVFWFLSA-N 337.419 3.776 0 50 EHAA Cc1csc2c(-c3cccc(-c4ccn(CCO)n4)c3)ncnc12 20539420 PYPVNLVRYIXOMJ-UHFFFAOYSA-N 336.420 3.523 0 50 EHAA O=C(CC1CCCCCC1)N1CCC(n2cc(C3CC3)nn2)CC1 48200581 CNPMKKQQHYBZQN-UHFFFAOYSA-N 330.476 3.680 0 50 EHAA CCCCC[C@H](O)/C=C/[C@@H]1[C@@H]2C/C=C\CCCC(=O)O[C@@H]1C[C@@H]2O 64857949 KBFCVOAVUKWCPS-NAPLMKITSA-N 336.472 3.523 0 50 EHAA in-vitro C/C(=C\c1ccco1)c1c(-c2ccccc2)ncn1[C@@H](C)c1nnn[nH]1 67909567 NNILDLLWMGVGQF-CMPYXILNSA-N 346.394 3.826 0 50 EHAA Cc1c(CCn2ccnc2[C@H]2CCOC2)c2cccc3c2n1CCC3 71315032 XVIKZLPLOZSBIM-KRWDZBQOSA-N 335.451 3.839 0 50 EHAA CCc1noc(CCn2ccnc2-c2ccc(OC)c3ccccc23)n1 72421741 JDTNPSKLRLFLIL-UHFFFAOYSA-N 348.406 3.900 0 50 EHAA CC(C)Cc1nccc(C2(c3ccccc3Cl)CCNCC2)n1 72428236 XYFIVIVXGUDJSA-UHFFFAOYSA-N 329.875 3.998 0 50 EHAA O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1CCn1ccnc1 77343300 JXLUUMZZNBOJHN-KRWDZBQOSA-N 334.423 3.516 0 50 EHAA Cc1ccc(-n2cnnc2)cc1-n1ccnc1[C@H](C)c1ccccc1 77457901 OKUDEVIXQVRRTG-MRXNPFEDSA-N 329.407 3.913 0 50 EHAA CCOC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1 79065841 XCYWOXALFXOMFR-UHFFFAOYSA-N 333.428 3.978 0 50 EHAA Fc1cc(Cl)cnc1N1CCC[C@@H](c2nccn2CC2CC2)C1 82137823 MGIUNNYQFINIHN-CYBMUJFWSA-N 334.826 3.865 0 50 EHAA c1coc(CN2CCC(c3nc(-c4ccc5[nH]cnc5c4)no3)CC2)c1 96152251 CMNQYLDNAADYFW-UHFFFAOYSA-N 349.394 3.586 0 50 EHAA Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CCOCC2)ccc1F 102351538 WUWWLDSDAZPFNT-BCDXTJNWSA-N 331.431 3.798 0 50 EHAA CC1(C)C[C@H](NC(=O)NC2CCC(c3ccccc3)CC2)CCO1 125619065 YDFNMBCULQHJKX-DAWZGUTISA-N 330.472 3.970 0 50 EHAA CC(C)OC1CCC(NC(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 156682595 JDUVMYQZFGDGQM-UHFFFAOYSA-N 344.455 3.501 0 50 EHAA O=C(c1ccc(Cl)c(F)c1)N1CCO[C@H](c2cccs2)C1 158133394 IPFJKXMZUVKVLL-ZDUSSCGKSA-N 325.792 3.754 0 50 EHAA C[C@H](NC(=O)C[C@H](C)N1CCCCC1=O)c1cccc2ccccc12 170607815 FOWYFUNLBLEFJX-HOTGVXAUSA-N 338.451 3.808 0 50 EHAA Cc1cccc([C@H](NC(=O)Nc2ccncc2F)c2ccccn2)c1 184196863 ZQSQRBJACZWPLT-SFHVURJKSA-N 336.370 3.835 0 50 EHAA Cc1nc(CC2CC2)sc1C(=O)N1CCCc2cccc(O)c21 190943139 WWJYPUYLDSBFGQ-UHFFFAOYSA-N 328.437 3.703 0 50 EHAA C[C@@H](Nc1cccc(CN2CCC(CO)CC2)c1)c1cccc(O)c1 194949012 LOKMYSFEORXYMU-MRXNPFEDSA-N 340.467 3.770 0 50 EHAA CCOc1cc(CNc2ncc(OC)cn2)ccc1OCC(C)C 225429330 JPPVUDPFKOROHE-UHFFFAOYSA-N 331.416 3.531 0 50 EHAA CCn1ccnc1[C@@H]1CCCCN1C(=O)CCc1ccc(OC)cc1 241126092 JJMBTMLNZVANOJ-SFHVURJKSA-N 341.455 3.598 0 50 EHAA Cc1cc(NC(=O)c2cccc(CN)c2)ccc1NC(=O)c1ccco1 252490884 LDZOKTJFOYKXAH-UHFFFAOYSA-N 349.390 3.551 0 50 EHAA C[C@@H](Cc1ccc(NC(=O)c2ccnn2C2CCCC2)cc1)C(=O)O 262752230 JKMRNODWTGDOOM-ZDUSSCGKSA-N 341.411 3.514 0 50 EHAA O=C(c1cccc([C@H]2CCOC2)c1)N(CC(F)(F)F)C1CCC1 270643205 KRXYCODAQZQKDU-AWEZNQCLSA-N 327.346 3.748 0 50 EHAA Cc1nc(-c2noc([C@H]3CCCN3Cc3ccc(F)cc3)n2)co1 289351936 HPUFLRONLDXXAG-OAHLLOKOSA-N 328.347 3.509 0 50 EHAA CC(C)c1n[nH]c(CN2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 328596513 YKJLJHSBBNNWJA-CYBMUJFWSA-N 338.377 3.936 0 50 EHAA CC(=O)c1ccccc1C(=O)N(C)CCOc1cccc(Cl)c1 360184078 OUQOLTNMWXKCGN-UHFFFAOYSA-N 331.799 3.694 0 50 EHAA CCc1nc(NC(=O)N2CCCC[C@@H]2c2nccn2CC)sc1C 369784560 PAVJPWSNTXLOEG-CQSZACIVSA-N 347.488 3.989 0 50 EHAA Cc1ccc([C@@H](NC(=O)[C@H]2Cc3ccccc3O2)c2ccccn2)cc1 370618202 OABPVCCGGUBRCT-NHCUHLMSSA-N 344.414 3.599 0 50 EHAA Cc1nnsc1C(=O)N1CCC[C@@H]1C[C@H]1CCCc2ccccc21 372829714 HNENWYVFUIPEJC-HZPDHXFCSA-N 341.480 3.961 0 50 EHAA C[C@@H](c1ccc(-c2ccc(OCC(N)=O)cc2)cc1)N1CCCCC1 426537369 ARNZOQIQOYMGSW-INIZCTEOSA-N 338.451 3.765 0 50 EHAA CC1(C)C[C@]1(CNC(=O)N1CC(c2ccncc2)C1)c1ccccc1 426555412 GDOUAFSDGDTOKJ-NRFANRHFSA-N 335.451 3.558 0 50 EHAA Cc1cccc2c1c(-c1ccc([C@H](C)N3CCOCC3)cc1)nn2C 426604624 UNOPTIBEHKIODN-INIZCTEOSA-N 335.451 3.942 0 50 EHAA CC(C)CCC[C@H](C)NC(=O)N(C)Cc1cnc2ccccc2n1 534590228 WNXKZSSWIOCWPY-HNNXBMFYSA-N 328.460 3.986 0 50 EHAA Cc1nc([C@@H](C)NC(=O)CCCOCc2ccccc2)c(C)s1 584894422 VUCWHVMVRVKUIB-CYBMUJFWSA-N 332.469 3.934 0 50 EHAA COC(=O)Cc1cc(Cl)nc2c(C)c(Br)ccc12 675082183 VLFHZTSHUKQUMB-UHFFFAOYSA-N 328.593 3.675 0 50 EHAA C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CCn3c2nc2ccccc23)o1 888092909 JCDCBDJKVHWHHY-LXTVHRRPSA-N 347.418 3.903 0 50 EHAA CC[C@@]1(O)CCC[C@@H]2CN(Cc3c(C)cc(OC)c(C)c3C)C[C@@H]21 1704312350 JEDCQQJHQWSZLF-SLYNCCJLSA-N 331.500 3.993 0 50 EHAA CC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772491800 RGHGKGRVFXQGOV-STQVFSORSA-N 348.527 3.956 0 50 EHAA CC(C)(C)[C@H]1CN(C(=O)[C@H]2CC[C@H](N)CC2)C[C@@H](c2ccccc2)O1 1857738568 OAKMUASZXRGAHG-CADBVGFASA-N 344.499 3.519 0 50 EHAA COCc1nc([C@H](C)Oc2ccc(Br)cc2Cl)no1 1875286542 VNGYQDRKCMKCJI-ZETCQYMHSA-N 347.596 3.772 0 50 EHAA CCc1ncc(CN2CCC3(CCC(CC(=O)O)CC3)CC2)s1 1875291079 NFQUQNAKJDZKPL-UHFFFAOYSA-N 336.501 3.953 0 50 EHAA O=C(c1ncnc2ccsc12)N1CCC2(CC1)CCC(F)(F)C2 1875308594 NQENFSYKHNMTEX-UHFFFAOYSA-N 337.395 3.733 0 50 EHAA COCc1ccc(C(=O)N2CC[C@H]2c2cccc(Br)c2)[nH]1 2325779808 DWOPSXAFBFWZQU-HNNXBMFYSA-N 349.228 3.511 0 50 EHAA CCS[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2cc(C)no2)CC1 2325818411 LPTVSWVJCTURDM-GDBMZVCRSA-N 337.489 3.546 0 50 EHAA O[C@]1(CNCc2ccc3c(c2)CCCC3)CCc2cc(F)ccc21 2325841820 HCDGOAXXKNTXNR-NRFANRHFSA-N 325.427 3.628 0 50 EHAA COc1ccc(OC)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 43962 YRAWGMAHDOODCL-UHFFFAOYSA-N 335.787 3.683 0 50 EHAA CCc1ccc([C@@H](C)NC(=O)c2cncc(Br)c2)cc1 88805 BRGWCACAEZDBBQ-LLVKDONJSA-N 333.229 3.898 0 50 EHAA O=C(O)c1ccccc1C(=O)Nc1nc(-c2cccs2)cs1 238691 OHMMCOAMMMUDIC-UHFFFAOYSA-N 330.390 3.822 0 50 EHAA O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccs1 451799 SZBPTBPZIFJPNM-UHFFFAOYSA-N 348.383 3.801 0 50 EHAA Cc1ccc(NC(=O)CCC(=O)O[C@H](C)C(=O)c2ccccc2)cc1 2814169 MMGHEGWZIQAVJL-OAHLLOKOSA-N 339.391 3.528 0 50 EHAA Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(C(=O)O)c1 4808946 RKLWOIGJWSKHRT-LLVKDONJSA-N 333.771 3.753 0 50 EHAA CCOc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1C 4809531 LXPUDUHHBLJWGE-UHFFFAOYSA-N 337.466 3.916 0 50 EHAA CCCCn1c(CCCNC(=O)c2ccco2)nc2ccccc21 5235811 LNGAMYTWOQKVKO-UHFFFAOYSA-N 325.412 3.792 0 50 EHAA Cc1ccc(C)c(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3)n2)c1 6767334 IZSSUXADLUKUCN-INIZCTEOSA-N 347.418 3.727 0 50 EHAA Nc1ccc(C(=O)OCC(=O)N(c2ccccc2)c2ccccc2)cc1 13571780 MISACJXXKAKKAW-UHFFFAOYSA-N 346.386 3.791 0 50 EHAA CCOc1ccc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 15933760 AJPMUEZCIJDRBK-LBPRGKRZSA-N 328.368 3.697 0 50 EHAA CCc1c(C(=O)N2CCN(c3ccccc3C)CC2)csc1C 16602489 SCNIWTPAVPRNFV-UHFFFAOYSA-N 328.481 3.890 0 50 EHAA FC(F)(F)CCCN1CCCN(C2Cc3ccccc3C2)CC1 19227455 AISOIHUSBHOGLS-UHFFFAOYSA-N 326.406 3.504 0 50 EHAA CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(Cc3cc[nH]n3)C2)cc1 20861055 XGMHKSCMMZQMIY-INIZCTEOSA-N 325.456 3.802 0 50 EHAA CCC[C@@H](NC(=O)c1ccc(NC(=O)COC)cc1)c1ccccc1 20997430 BAVCQHYUHMBLFB-GOSISDBHSA-N 340.423 3.543 0 50 EHAA c1ccc([C@@H](CCn2ccnc2)n2ccnc2-c2cccnc2)cc1 67946545 RTEFMQWZZPYNOF-LJQANCHMSA-N 329.407 3.821 0 50 EHAA COc1coc(CN2CCC[C@@H](CCc3ccccc3F)C2)cc1=O 72168857 VCQFJIRCASSANK-HNNXBMFYSA-N 345.414 3.632 0 50 EHAA CC(C)c1nc(CN(C)C(=O)[C@@H](O)c2ccc(Cl)cc2)cs1 77408346 URRUOJAVHBRMML-AWEZNQCLSA-N 338.860 3.612 0 50 EHAA CCCN1C[C@H]2CC[C@@H]1CN(Cc1c(Cl)cncc1Cl)C2 91537096 XSLBUYSVRPWBIU-QWHCGFSZSA-N 328.287 3.695 0 50 EHAA O=C(NCCC[C@@H]1CCOC1)Nc1cccc(OC(F)(F)F)c1 96130616 HDAKABJOYZLVDH-LLVKDONJSA-N 332.322 3.523 0 50 EHAA CC[C@@H](c1ccccc1)c1nnc(NCc2c(Cl)cnn2C)o1 128800748 GNUVMZSLOMHIJA-LBPRGKRZSA-N 331.807 3.611 0 50 EHAA C[Si](C)(C)CCOCn1c(C(=O)O)cc2cc(Cl)ncc21 169919435 QJCKWAHWIGYBGW-UHFFFAOYSA-N 326.856 3.700 0 50 EHAA CCOc1c(F)cccc1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 173058926 JTKRVSZHNRBQCW-UHFFFAOYSA-N 342.370 3.752 0 50 EHAA C[C@@H](CC(=O)N1C[C@H](C(=O)O)c2ccccc21)c1cccc(F)c1 192949052 CJHCHQLGSQITLO-LRDDRELGSA-N 327.355 3.534 0 50 EHAA CC(C)[C@H](NC(=O)[C@@H]1CCCc2cccnc21)c1nc2ccccc2[nH]1 195405959 BCZMBHOBOIKOIW-QAPCUYQASA-N 348.450 3.891 0 50 EHAA Cn1ccnc1[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C1CC1 223247572 OQSNSHHDMKPLFI-LJQANCHMSA-N 348.450 3.661 0 50 EHAA O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1CC[C@@H](CO)C1 225484876 CSJIYMYFJZIJOM-CYBMUJFWSA-N 330.815 3.853 0 50 EHAA CCN(C(=O)c1cn(C(C)(C)C)nn1)c1ccc(C(F)(F)F)cc1 253392111 DPVYNPVSSIROOP-UHFFFAOYSA-N 340.349 3.719 0 50 EHAA Cc1cc(CNc2cc(C(N)=O)ccc2N2CCCC2)c(C)s1 253417830 NYOIVBGRKOVLSH-UHFFFAOYSA-N 329.469 3.676 0 50 EHAA Cc1nc2c(C(=O)N3CCC[C@@H]3c3csc(C)n3)cccc2o1 253421635 ZPKVUECPGWHGRP-CQSZACIVSA-N 327.409 3.878 0 50 EHAA CO[C@H]1C[C@@H]2OC[C@@]23C(=CC[C@@H]2[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)C1(C)C 253589865 NXOIYSNONWVRLS-LSMQIZEASA-N 346.511 3.950 0 50 EHAA CCN(Cc1ccncc1)C(=O)Nc1c(C)cnn1[C@H](C)C1CC1 299771690 WDLKIRRQEWRENV-CQSZACIVSA-N 327.432 3.612 0 50 EHAA CCc1noc(C)c1CN(Cc1ccsc1)[C@@H]1CC12CCNCC2 328606755 SVFOWHCQPVSSSI-GOSISDBHSA-N 345.512 3.751 0 50 EHAA CSCC[C@@H](C(=O)N[C@@H](C)c1nc2ccccc2[nH]1)n1cccc1 334161423 ZJUWQOQGGKBHBA-BBRMVZONSA-N 342.468 3.536 0 50 EHAA CCOc1c(Cl)cccc1CN1CCCN(CC(F)F)CC1 349147664 IJXHBHGUUSBNJD-UHFFFAOYSA-N 332.822 3.512 0 50 EHAA O=C(NCc1cnc2ccccn12)[C@]1(c2ccccc2)CC12CCCC2 426503149 JTFCAZFKHJVHEQ-JOCHJYFZSA-N 345.446 3.853 0 50 EHAA Cc1cc(Cl)cc(Cl)c1CN=c1cc([C@H]2CCOC2)nc[nH]1 426612606 IHENPPINVYHSGA-NSHDSACASA-N 338.238 3.630 0 50 EHAA C=CC(=O)Nc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(C)C)cc1 490558775 NSFMMYSQHXEZDP-ZDUSSCGKSA-N 328.334 3.518 0 50 EHAA O=C(NCCCSCc1ccccc1F)N1CCC(F)(F)CC1 584903632 JMLLBHJTQYRGHX-UHFFFAOYSA-N 346.418 3.890 0 50 EHAA O=C(Cc1ccc2c[nH]nc2c1)OCc1ccc(Br)cc1 786557646 BBLATMDFAJBBFS-UHFFFAOYSA-N 345.196 3.611 0 50 EHAA O=C(Nc1ccc(F)c(F)c1)[C@H](Sc1cnn[nH]1)c1ccccc1 827654446 LNGXFDUPPUGWQX-OAHLLOKOSA-N 346.362 3.555 0 50 EHAA COC1(c2nc(-c3cc(-n4cccn4)ccn3)no2)CCCCCC1 904101893 FYRQRWXUYNJCES-UHFFFAOYSA-N 339.399 3.513 0 50 EHAA Cc1cccc(NC(=O)CCNCc2cc(C)ccc2-n2cccn2)c1 952963211 ICNOSDIGVQNHRM-UHFFFAOYSA-N 348.450 3.608 0 50 EHAA COc1ccc(C[C@@H]2CCN2C(=O)Cc2cccc(C3CC3)c2)cc1 1149372070 YZBAKKCZBRINRL-FQEVSTJZSA-N 335.447 3.959 0 50 EHAA O=C(c1csc2c1CCCC2)N1CCC(c2ccnc(O)c2)CC1 1772815315 GNKXEFOKXGELSZ-UHFFFAOYSA-N 342.464 3.747 0 50 EHAA C[C@H](N)c1noc(-c2ccc(-n3ncc4ccccc43)c(Cl)c2)n1 2325859382 XLESEDVOZBYGRE-JTQLQIEISA-N 339.786 3.749 0 50 EHAA C[C@H](Cc1ccc2c(c1)OCO2)CN1CCC(OC(F)(F)F)CC1 2356142717 DTIQDIYCFVKGGH-GFCCVEGCSA-N 345.361 3.595 0 50 EHAA CCOc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 63535 KZEYZXDCPPZENQ-UHFFFAOYSA-N 334.828 3.866 0 50 EHAA CCOC(=O)[C@H](C(=O)Nc1nc2ccccc2s1)C1CCCCC1 103188 LLYVLPLESQFJJC-HNNXBMFYSA-N 346.452 3.994 0 50 EHAA Cc1ccc(C(=O)CSc2nnc3c4ccccc4n(C)c3n2)cc1 305245 XGUHJEXBPOMJCG-UHFFFAOYSA-N 348.431 3.800 0 50 EHAA CSc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C 325697 RCWGHXDKHQBNLE-UHFFFAOYSA-N 329.347 3.571 0 50 EHAA Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 366022 RIBFVUXANOZLHJ-UHFFFAOYSA-N 326.215 3.558 0 50 EHAA O=c1c2ccccc2ncn1CCOc1c(Cl)cccc1Cl 614104 VAXRPXJWUASZFK-UHFFFAOYSA-N 335.190 3.782 0 50 EHAA CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2124106 DBPWSSGDRRHUNT-ZWJPJJENSA-N 330.468 3.838 0 50 EHAA biogenic Cc1ccccc1Cn1cc(NC(=S)N2CCC[C@H](C)C2)cn1 2798724 KUTHSRKTWFIFLQ-AWEZNQCLSA-N 328.485 3.669 0 50 EHAA Cc1csc(NC(=O)CSc2ccc(-c3ccccc3)nn2)n1 4365402 WJRWSLORVIHRNX-UHFFFAOYSA-N 342.449 3.639 0 50 EHAA in-vitro O=C1N(c2ccc(Cl)c(Cl)c2)[C@@H](c2cccnc2)N2CCCN12 4622999 QEQRAGXLYLYYKR-HNNXBMFYSA-N 349.221 3.950 0 50 EHAA Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(F)cc1)N(C)C3=O 4868042 FNNXPJOPKDVRMS-QGZVFWFLSA-N 337.350 3.724 0 50 EHAA Cc1ccc(S(=O)(=O)CC(=O)c2ccc(Cl)cc2Cl)cc1 4868469 OFJUBRPECYWURM-UHFFFAOYSA-N 343.231 3.958 0 50 EHAA N=C1NC(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)S1 5027412 ORZRKFPEXIWBBT-KPKJPENVSA-N 349.209 3.848 0 50 EHAA CCOC(=O)C1CCN(CCOc2ccc(Cl)c(C)c2C)CC1 6703491 WIROBGVXURJDBZ-UHFFFAOYSA-N 339.863 3.611 0 50 EHAA Cc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C 6714591 KXOCWOCBYHWEPD-UHFFFAOYSA-N 327.403 3.797 0 50 EHAA COc1ccc(NC(=O)COCc2cc(-c3cccs3)on2)cc1 6876489 KLPCGPBCNVQRRY-UHFFFAOYSA-N 344.392 3.567 0 50 EHAA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@H](C(=O)CF)CC[C@H]12 8612985 UXQRVGWQURFJGJ-QWVKJRFASA-N 348.458 3.644 0 50 EHAA CC(C)c1cc(C(F)(F)F)c2c(C3CC3)nn(CC(=O)O)c2n1 12397027 HZAYSKLDMAVKLR-UHFFFAOYSA-N 327.306 3.536 0 50 EHAA Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Br)cc1 13948436 HVPCBXJXZXPMTN-UHFFFAOYSA-N 344.205 3.697 0 50 EHAA O=C(c1cc2ccccc2cc1O)N1CCN(Cc2ccccc2)CC1 20638831 DUKJAIPXNOPNRQ-UHFFFAOYSA-N 346.430 3.503 0 50 EHAA Fc1ccc(Cl)cc1-c1nnc2sc(-c3ccncc3)nn12 36359471 VBDLWZRUQDJQFX-UHFFFAOYSA-N 331.763 3.707 0 50 EHAA CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 43757423 MRURHGKZPVRRKA-UIZHBYLNSA-N 330.468 3.982 0 50 EHAA CC(C)[C@@H](C)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccco1 55325959 CCBLHORCPAYQJO-CQSZACIVSA-N 325.416 3.506 0 50 EHAA CC(C)c1nc(CN(C)C(=O)CCc2cn3ccccc3n2)cs1 65429964 LCJFNGYQQQDEBA-UHFFFAOYSA-N 342.468 3.505 0 50 EHAA CC(C)N1CCC[C@@H](CN(C)Cc2c[nH]c(CC3CCCC3)n2)C1 72144129 CIHYUTMCWPJETA-SFHVURJKSA-N 332.536 3.695 0 50 EHAA Cc1ccn2cc(CN3CCC[C@H](C(=O)Cc4ccccc4)C3)nc2c1 72168955 KXDKWPBKSLAGKE-IBGZPJMESA-N 347.462 3.667 0 50 EHAA CC(C)(O)CCc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)cc1 72429596 FTAQEDOLBCIVIF-IBGZPJMESA-N 338.451 3.762 0 50 EHAA COc1ccccc1OC1CN(Cc2cccc([C@@H](C)N(C)C)c2)C1 72478852 SFRTXKRPANDASR-MRXNPFEDSA-N 340.467 3.581 0 50 EHAA Cc1cccnc1CN1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 77439956 KKSZUGYKLQGPNW-OAQYLSRUSA-N 343.515 3.641 0 50 EHAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1Cc2ccccc2[C@@H](O)C1 82121593 NKHLZABEPSTGKC-IBGZPJMESA-N 348.446 3.711 0 50 EHAA CC1(C)[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 101003786 XPTJYIZERCNMCU-FKCCTYNJSA-N 333.431 3.805 0 50 EHAA O=C(c1ccc(-c2ncc[nH]2)s1)N1CCCC[C@@H]1c1cccnc1 102545258 DIJRIKSLYVRMJZ-CQSZACIVSA-N 338.436 3.901 0 50 EHAA CC[C@H](C)Oc1cccc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)c1 110650112 NZPMLIMUCAFKER-DYTBSURPSA-N 330.428 3.505 0 50 EHAA CC(C)n1nc(-c2ccccc2)cc1NC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 110680975 ODFACHXOILPJKQ-HYVNUMGLSA-N 340.427 3.572 0 50 EHAA O=C(c1ccc(Oc2cccnc2)cc1)N1CCCC[C@H]1c1cn[nH]c1 113894243 NSCIEISYQWUHIJ-IBGZPJMESA-N 348.406 3.964 0 50 EHAA CN1CC[C@@H](CNC2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 136197006 CTHBCLQYGKXSJR-GUYCJALGSA-N 342.911 3.957 0 50 EHAA CC(C)c1noc2ncc(C(=O)N3c4ccccc4OC[C@@H]3C)cc12 175368107 SCYBTYLYYPVMQT-LBPRGKRZSA-N 337.379 3.774 0 50 EHAA CC1(C)CN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CCN1 175439673 JNFBODBBTMMXCS-UHFFFAOYSA-N 347.462 3.514 0 50 EHAA Cc1nc(N2CCOCC2)ccc1N[C@@H](C)c1cc(F)cc(F)c1 180045872 RJQMHXFTEKOTPC-LBPRGKRZSA-N 333.382 3.678 0 50 EHAA Cc1cccc([C@@H](NC(=O)Nc2ccncc2F)c2ccccn2)c1 184196882 ZQSQRBJACZWPLT-GOSISDBHSA-N 336.370 3.835 0 50 EHAA COc1ccc(CN(C)Cc2ccc3ncccc3c2)cc1C(=O)O 215722963 SSNBKDSPSMCHNR-UHFFFAOYSA-N 336.391 3.574 0 50 EHAA CCCOCCN1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 216474507 FIQHFQIEEPQDCD-HXUWFJFHSA-N 336.495 3.785 0 50 EHAA O=C([C@@H]1C[C@H]1c1ccc(F)cc1F)N1CCC[C@@H](c2nccs2)C1 229669143 RKZTWFHFFLOBJZ-BYCMXARLSA-N 348.418 3.931 0 50 EHAA COc1ccc([C@H]2CCCCCN2C(=O)CSc2ncco2)cc1 241262062 LBBKALVMKDPWOE-MRXNPFEDSA-N 346.452 3.919 0 50 EHAA CCc1ccc(CC)c(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 253427100 KZJUYWLLCPIQNI-MRXNPFEDSA-N 326.444 3.566 0 50 EHAA COc1ccc(CN(C)Cc2ncc(C)c(O)c2C)c2cccnc12 253536262 MJMPSYFOMBMZLO-UHFFFAOYSA-N 337.423 3.593 0 50 EHAA COC[C@H](C)N(Cc1ccc(F)cc1)Cc1ncc(C)c(O)c1C 253536399 PFYDIAFXKZHYEF-AWEZNQCLSA-N 332.419 3.580 0 50 EHAA C[C@@]1(CN)CCN(Cc2ccc(Oc3ccccc3F)c(F)c2)C1 261899197 WGXMXEWDACTHNJ-IBGZPJMESA-N 332.394 3.928 0 50 EHAA CNC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 269119214 XJSBMVQSRJQSAQ-UBHSHLNASA-N 341.282 3.555 0 50 EHAA Cc1ccc(CCN(CC(F)(F)F)C(=O)[C@H]2CCO[C@H](C)C2)cc1 272109667 QZHVZDMBXPAPKC-ZBFHGGJFSA-N 343.389 3.744 0 50 EHAA O=C(NC1CC(F)(F)C1)N[C@H]1CCCOc2cc(Cl)ccc21 277366557 BIBGKCYMMDWUEU-LBPRGKRZSA-N 330.762 3.651 0 50 EHAA CC(C)N(C(=O)c1ocnc1C1CC1)[C@@H]1CCCc2cccnc21 377493754 SLGUYGGMLIGXSZ-OAHLLOKOSA-N 325.412 3.875 0 50 EHAA C[C@H]1C[C@H](CNC(=O)N[C@H]2CCc3c(Cl)cccc32)C[C@@H](C)O1 408126674 AFAKWTHWTIASEW-LKQDWFRTSA-N 336.863 3.830 0 50 EHAA COc1cccc(-c2ccc(C(=O)NCCCC(C)(C)CO)cc2)c1 426504648 UKIXYDLYYHKKPN-UHFFFAOYSA-N 341.451 3.891 0 50 EHAA COc1ccccc1CN(Cc1cccnc1)C(=O)N[C@@H](C)C(C)C 426719924 MSQOKBLBABWZMT-INIZCTEOSA-N 341.455 3.847 0 50 EHAA COC(=O)c1cn2nc(-c3ccc(F)c(C)c3)cc(C(C)C)c2n1 725326527 QWMYLPKXJLBOLP-UHFFFAOYSA-N 327.359 3.754 0 50 EHAA C=CC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1 874974611 VCBMTKFGDPOJPG-UHFFFAOYSA-N 340.810 3.944 0 50 EHAA Cc1cc([C@H]2CCCN2Cc2ccc(C(=O)O)c3cccnc23)no1 903887379 PQACFOMXEBHIJG-QGZVFWFLSA-N 337.379 3.567 0 50 EHAA C[C@@H](c1ccccc1)n1nccc1NC(=O)CCN1CCCCCC1 1529159579 SNANNYVGHGRAAU-KRWDZBQOSA-N 340.471 3.697 0 50 EHAA CCOc1ccc(-c2nccn2-c2ccc3nc(C)[nH]c3c2)cc1CO 1772813218 VQTUAGQDSZGZLG-UHFFFAOYSA-N 348.406 3.615 0 50 EHAA CCOc1cc(/C=C/C(N)=O)cc(Cl)c1OCc1ccccc1F 1848442476 XEDVGIIPZOXKFI-BQYQJAHWSA-N 349.789 3.955 0 50 EHAA CCCC[C@@H]1CN(C(=O)Cc2noc3ccccc23)C[C@H](C2CC2)O1 1875250834 LEUOJDGAZWGZAU-DNVCBOLYSA-N 342.439 3.567 0 50 EHAA O=C(Nc1ccc2c(c1)NCCC2)N1CCc2cccc(F)c2C1 1875266109 RRJFOZFYCIIMOT-UHFFFAOYSA-N 325.387 3.774 0 50 EHAA Cn1cc([C@@H]2CSCCCN2C(=O)c2ccc(C3CC3)s2)cn1 1875271839 ARIDSYRRHUHRDR-AWEZNQCLSA-N 347.509 3.679 0 50 EHAA COc1ccc(-c2ncccc2CN2CCC[C@@H](OC)C2)cc1F 2356169758 YOYGHXCTXLZOKH-MRXNPFEDSA-N 330.403 3.507 0 50 EHAA CC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)C2CCCCC2)cc1 104986 VFCHVBHBDLYYGY-QGZVFWFLSA-N 333.428 3.686 0 50 EHAA CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1 129260 HJGQFKTZIOJDRE-UHFFFAOYSA-N 328.412 3.802 0 50 EHAA CC(=O)c1c(NC(=O)c2ccccc2)nc(C)nc1-c1ccccc1 275294 LHIOIYSXYUSZCI-UHFFFAOYSA-N 331.375 3.907 0 50 EHAA Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2ccccc2C)cc1 459540 CLFHSHQKNYZIJV-FQEVSTJZSA-N 348.402 3.947 0 50 EHAA CCCC(=O)Nc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 620204 OLMZSQVZLWANAO-UHFFFAOYSA-N 328.387 3.537 0 50 EHAA Cc1cc(OCn2ccc(C(=O)Nc3cccnc3)n2)ccc1Cl 2796247 AGEHMHVRIOUAAD-UHFFFAOYSA-N 342.786 3.529 0 50 EHAA CCCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 4749686 UWROJKAPYGDATR-UHFFFAOYSA-N 342.414 3.577 0 50 EHAA CC[C@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccccc1 4814518 IENFCYKXYIXLOS-HNNXBMFYSA-N 329.396 3.845 0 50 EHAA Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1C 6715271 KJFGLIYUWLGIIS-UHFFFAOYSA-N 327.403 3.797 0 50 EHAA CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(C)ccc1OC 8558192 LBDOMLXTJIWDCC-HNNXBMFYSA-N 329.396 3.808 0 50 EHAA CN(C)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 11936421 SFBUFCGMTQTLAX-UHFFFAOYSA-N 339.342 3.783 0 50 EHAA COc1ccccc1Oc1ncccc1CNC(=O)c1ccc(C)nc1 11937242 ZSVWANMFAMPYNC-UHFFFAOYSA-N 349.390 3.516 0 50 EHAA COC(=O)C1CCN(C(=O)c2oc3c(Cl)cc(C)cc3c2C)CC1 12091415 FOMMVSCGFZIYMD-UHFFFAOYSA-N 349.814 3.728 0 50 EHAA CC(C)c1ccc(NC(=O)N2CCN(Cc3ccncc3)CC2)cc1 13324751 BPPFGPKYDNUPAC-UHFFFAOYSA-N 338.455 3.555 0 50 EHAA C(=C/c1ccccc1)\Cn1c(CN2CCOCC2)nc2ccccc21 19939672 OWMZURNBQWWXQG-RMKNXTFCSA-N 333.435 3.582 0 50 EHAA CN1CCN(CCCCOc2ccc3ccccc3c2Cl)CC1 20653059 VQKSCDZVXYSDFN-UHFFFAOYSA-N 332.875 3.900 0 50 EHAA CCCN(Cc1ccc(OC)c(CO)c1)Cc1ccccc1OC 55253955 LRTKOVVIRASFFX-UHFFFAOYSA-N 329.440 3.608 0 50 EHAA Cc1nc(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)nn1C(C)C 55309078 UIEMPPYZWTUFRW-HNNXBMFYSA-N 331.395 3.676 0 50 EHAA CCc1nccn1CCCNC(=O)c1cccc(-c2ccc(O)cc2)c1 55309526 JOYPYUFXVODGKS-UHFFFAOYSA-N 349.434 3.638 0 50 EHAA Cn1ccnc1[C@@H](NC(=O)CSCc1ccccc1Cl)C1CC1 55401770 IGWLOZBKPDLICE-INIZCTEOSA-N 349.887 3.574 0 50 EHAA CN(CC[C@H]1CCCCO1)C(=O)COc1ccc(Cl)cc1Cl 62193065 LMELAYIBDNGSNF-CYBMUJFWSA-N 346.254 3.790 0 50 EHAA CCc1nn(C)c(Cl)c1CN1CCC(c2cc(C(C)C)[nH]n2)CC1 67878102 HLIMUIATNWSRCE-UHFFFAOYSA-N 349.910 3.862 0 50 EHAA CS(=O)(=O)c1ccc(CN2CCCC[C@H]2c2cccc(F)c2)cc1 72149973 MJQFMDPOQUUPOW-IBGZPJMESA-N 347.455 3.956 0 50 EHAA COCCC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1OC 82138390 LWOZQBSCQLXYLW-CQSZACIVSA-N 325.836 3.770 0 50 EHAA Cc1nnc(CCNC(=O)Nc2cccc(OC3CCCC3)c2)s1 95520798 OSCYEYJMBACBQH-UHFFFAOYSA-N 346.456 3.532 0 50 EHAA CCOCC1(CNC(=O)c2cccc(-c3ccc(O)cc3)c2)CC1 97831104 OVZGZTJNXCGTJG-UHFFFAOYSA-N 325.408 3.606 0 50 EHAA Cc1noc(Cl)c1CCC(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F 116223176 QFNVAESDNASUQL-ZWNOBZJWSA-N 340.757 3.520 0 50 EHAA CC(=O)N1CCc2cc(NC(=O)N3CCC[C@@H]3c3ccco3)ccc21 116479994 RQQWRQYJSADTGC-QGZVFWFLSA-N 339.395 3.558 0 50 EHAA CSc1ccc(CC(=O)NCCc2csc(C(C)C)n2)cc1 116744908 XGFQCMNJOCIVFA-UHFFFAOYSA-N 334.510 3.890 0 50 EHAA CC(=O)c1ccc(NC(=O)c2sc(C3CCCC3)nc2C)nc1 131636476 ARSUUDXOFWGULL-UHFFFAOYSA-N 329.425 3.959 0 50 EHAA c1cc(NCc2nc(C3CCCC3)no2)cc(OC[C@@H]2CCCO2)c1 151630167 HBLMLALSHNMKKA-KRWDZBQOSA-N 343.427 3.897 0 50 EHAA CC(C)CO[C@@H]1CCN(C(=O)c2cc(Cl)cc3cccnc23)C1 154070310 WGJRRDTXOYERSY-OAHLLOKOSA-N 332.831 3.775 0 50 EHAA Cc1noc(C2CC2)c1NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 155026230 XTXWZHYICLKKDR-YGRLFVJLSA-N 347.440 3.916 0 50 EHAA Cc1cc(CNC(=O)N[C@H]2CCCOc3ccccc32)ccc1F 155819681 AKZVQPVNRMTOAN-KRWDZBQOSA-N 328.387 3.847 0 50 EHAA O=C(NCC1(c2cccs2)CCCCC1)[C@H]1CCCN1C1CC1 170615885 WFLAORZCJJEMKH-MRXNPFEDSA-N 332.513 3.693 0 50 EHAA CCS[C@@H](C(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C(C)C 181804525 SOYCLHILWPTLBT-ARFHVFGLSA-N 343.439 3.689 0 50 EHAA CC(C)c1nccn1C[C@H](O)c1ccc(F)c(Br)c1 185025919 BZSWILRLXCGGRP-ZDUSSCGKSA-N 327.197 3.642 0 50 EHAA COc1cnccc1[C@H](C)NC(=O)N1CCCC[C@@H]1c1nccs1 187491139 YIXLFNJYYHFDQW-GXTWGEPZSA-N 346.456 3.545 0 50 EHAA Cc1cc(F)c(Br)cc1NC(=O)NCc1nccs1 190875863 OVHMDBVTSOWPLU-UHFFFAOYSA-N 344.209 3.675 0 50 EHAA CCc1ccc(C(=O)N2CCC[C@H](c3nc(CC)cs3)C2)c(O)c1 191646026 WMDAPQGTSQBEBM-AWEZNQCLSA-N 344.480 3.993 0 50 EHAA O=C(O)[C@H]1CN(C/C=C/c2ccc(F)cc2)C[C@@H]1c1cccc(F)c1 212097491 HWTDPJQKHRELRH-KTBRJVSMSA-N 343.373 3.778 0 50 EHAA CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccc(Cl)cc2)[C@H]1C(=O)O 221038571 WGOZBWNNXCXPKD-JSGCOSHPSA-N 339.819 3.593 0 50 EHAA COc1ccc2c(c1)CCC[C@H]2NC(=O)c1c(OC)ccc(F)c1F 223796301 RTIZTQBCGHFECQ-OAHLLOKOSA-N 347.361 3.789 0 50 EHAA Cc1[nH]c2ccc(C(=O)N3CCC[C@H](CCC(=O)O)C3)cc2c1C 237726405 HLDBBHSSFLLFCO-CQSZACIVSA-N 328.412 3.502 0 50 EHAA O=C(CC1C[C@@H]2CC[C@H](C1)N2)Nc1ccc2[nH]c(C3CCC3)nc2c1 237903522 ASOFMKDBEVWLLZ-LQDVMPOASA-N 338.455 3.690 0 50 EHAA Cc1nc([C@H]2CCCN2C(=O)c2cc3nccnc3cc2F)cs1 241170949 KDBCIVNTOKTWSP-MRXNPFEDSA-N 342.399 3.511 0 50 EHAA O=C(Nc1c(F)cccc1NC1CC1)c1cccc2ccc(O)nc12 241897158 TWCLWABXCCRNHI-UHFFFAOYSA-N 337.354 3.906 0 50 EHAA CC(C)Oc1cccc(OCCN2CCN(C3CCCCC3)CC2)c1 243957126 CGGJRCZSKUCUTM-UHFFFAOYSA-N 346.515 3.803 0 50 EHAA Cc1oc(C(C)C)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244691678 JHCPUASKWUHFCS-LNLFQRSKSA-N 341.451 3.823 0 50 EHAA c1ccc(CN2CCN(CCN3CCC[C@@H]3c3ccccc3)CC2)cc1 244719125 LXLPRETVLCRJAS-HSZRJFAPSA-N 349.522 3.641 0 50 EHAA C[C@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)C[C@@H](C)O1 249270185 CPYDBCQGVJXZRK-YVECIDJPSA-N 336.398 3.562 0 50 EHAA C[C@@H](c1nc(O)c2ccccc2n1)N1CC[C@@]2(C1)OCc1ccccc12 253567394 QMMTXZZGOIVCHM-QKKBWIMNSA-N 347.418 3.528 0 50 EHAA C[C@H](N)[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)C1 269233674 AYOCPCGWAZBDCL-DYEKYZERSA-N 343.298 3.758 0 50 EHAA O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(CF)CC1 295522725 FBNZJQANQDYKMX-UHFFFAOYSA-N 325.383 3.739 0 50 EHAA CCCCN[C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 299765065 ZZHLDWJDYCYONA-KRWDZBQOSA-N 326.488 3.995 0 50 EHAA COc1ccc2c(c1)cc(C(=O)N(C)Cc1cc(C(C)C)on1)n2C 299787770 YWLMVEWYYYLFHD-UHFFFAOYSA-N 341.411 3.571 0 50 EHAA CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Cc2ccon2)C(C)(C)O1 329382060 QPOHMNSPMUCRJP-KRWDZBQOSA-N 342.439 3.592 0 50 EHAA Cn1ccc2ccc(NC(=O)NC[C@@H]3CCOC4(CCC4)C3)cc21 333233633 OTDRGQFWZSNHIZ-CQSZACIVSA-N 327.428 3.649 0 50 EHAA O=C(O)c1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)cc1 340342514 JOHWKFKDJXVHLN-AWEZNQCLSA-N 337.297 3.808 0 50 EHAA O=C(Cc1cccc(Cl)c1F)Nc1ccc(-c2cc(O)n[nH]2)cc1 352485841 ILGJVSOBWXTUOF-UHFFFAOYSA-N 345.761 3.756 0 50 EHAA FC(F)(F)c1ccn([C@@H]2CCCN(CCCc3ccncc3)C2)n1 360609576 DTPZKMKVOFJXBA-OAHLLOKOSA-N 338.377 3.567 0 50 EHAA CC(C)C1(c2ccccc2)CN(C(=O)c2ccc3ccncc3n2)C1 424890390 YKJBZCKMCXREIW-UHFFFAOYSA-N 331.419 3.680 0 50 EHAA Cc1cnccc1-c1cccc(C(=O)N(C)CCc2c(C)n[nH]c2C)c1 426530829 NXTASCIBSFHIGM-UHFFFAOYSA-N 348.450 3.712 0 50 EHAA Cc1nc(C(C)C)oc1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 428232130 YMMJHZPQFLEPLV-QGZVFWFLSA-N 336.382 3.958 0 50 EHAA Cc1cccc([C@H](NC(=O)N2CCSCC2)c2cccs2)c1 534634346 YIRNFDZBPWBLFN-INIZCTEOSA-N 332.494 3.904 0 50 EHAA Cc1nc(C)c(CC(=O)Nc2ccccc2CN2CCCCC2)s1 827861280 AWNKAESRRPAPNE-UHFFFAOYSA-N 343.496 3.927 0 50 EHAA C=CC(=O)Nc1cccc(C(=O)N(CC2CCC2)CC(F)(F)F)c1 866375057 RBEJQMRZOGQAMO-UHFFFAOYSA-N 340.345 3.616 0 50 EHAA CN(Cc1ccc2ccc(Cl)cc2n1)C[C@H]1CCc2nccn2C1 878469232 CYFDHCNBLXAXTJ-CQSZACIVSA-N 340.858 3.779 0 50 EHAA COc1c(F)ccc(CN(C)Cc2cc(-c3ccccn3)no2)c1F 952964873 OSSKAWZYIGCTAV-UHFFFAOYSA-N 345.349 3.655 0 50 EHAA CCc1cc(NC(=O)N2CCC3(CC2)C(C)=Nc2ccccc23)no1 1334123918 QORBKWMRURPDGP-UHFFFAOYSA-N 338.411 3.909 0 50 EHAA CCN(C[C@@H]1CCCCO1)C1CCN(c2ccc(F)c(F)c2)CC1 1506397267 RIAXCEDPFXWURN-KRWDZBQOSA-N 338.442 3.825 0 50 EHAA COc1ccc(F)c(F)c1-c1nccn1[C@H](CO)c1ccc(F)cc1 1857735327 CUOSNRBVJXHOAE-CQSZACIVSA-N 348.324 3.558 0 50 EHAA FC(F)(F)c1ccc(-c2nnc([C@H]3CCn4cncc4C3)o2)cc1 1875266324 XGJQGRXRSFTLPF-NSHDSACASA-N 334.301 3.682 0 50 EHAA COCCn1cc(NC(=O)N[C@@H](C)c2cccc(C(C)C)c2)cn1 1875277526 PGQSJOWKOSBVLR-AWEZNQCLSA-N 330.432 3.536 0 50 EHAA C[C@@H]1O[C@H](C)C[C@@H]1CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 1875292478 JOYDZOQJTUCIRP-MBNYWOFBSA-N 329.362 3.867 0 50 EHAA O=C(O)c1ccccc1[C@H]1CCN(Cc2ccc3cnccc3c2)C1 1875329842 GBDXWTQGDUNJSG-SFHVURJKSA-N 332.403 3.923 0 50 EHAA CCOC1CC(Cc2nc(-c3ccncc3)nn2CC(C)(C)C)C1 1875348843 DOYRAEXKFLMDPC-UHFFFAOYSA-N 328.460 3.744 0 50 EHAA CC(C)(C)c1ccc(CN2CC[C@@H](CC(=O)O)C(F)(F)CC2)cn1 2325788258 VRVWQLXWWZTZNH-AWEZNQCLSA-N 340.414 3.701 0 50 EHAA O=S(=O)(c1ccccc1-c1ccccc1)N1C[C@H]2C[C@@H]3C[C@H]1[C@@H]2C3 2325870105 KDKPVFWHVVPUKZ-WLWJZTKJSA-N 339.460 3.773 0 50 EHAA CCCCn1nc(CC(C)C)c2c(NCC[C@H]3CCOC3)ncnc21 2356134896 HMFFJINMBKLULH-HNNXBMFYSA-N 345.491 3.663 0 50 EHAA COc1ccc(-c2cc(C3CC3)nc3sc(C(N)=O)c(N)c23)cc1 67489 DEMDJSAVMFQUNL-UHFFFAOYSA-N 339.420 3.530 0 50 EHAA Brc1ccc(CSc2nnnn2-c2ccccc2)cc1 172346 NMSIWKDJZWTUOK-UHFFFAOYSA-N 347.241 3.717 0 50 EHAA Cc1cc(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)c(C)c1 193636 NWLQPEYHPVUZMN-UHFFFAOYSA-N 326.421 3.961 0 50 EHAA CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccncc1 529931 OCSFKRCNTJAHRX-UHFFFAOYSA-N 326.425 3.661 0 50 EHAA NC(=O)[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 1383477 UTATXSHVDAOXQN-LJQANCHMSA-N 333.362 3.674 0 50 EHAA O=C(Nc1ccn(Cc2cccc3ccccc23)n1)c1cccnc1 1429465 QFKRVGVXKVSWED-UHFFFAOYSA-N 328.375 3.732 0 50 EHAA O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccc(Cl)cc12 3120156 VFXGTHADBCZERH-UHFFFAOYSA-N 327.723 3.982 0 50 EHAA CCOC(=O)C[C@H](NC(=O)c1cccs1)c1ccc(OCC)cc1 3627059 IEBXKEDGWITIEM-HNNXBMFYSA-N 347.436 3.571 0 50 EHAA O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2)CC1 4749446 KYKPMTMXIVWGON-UHFFFAOYSA-N 338.495 3.942 0 50 EHAA COc1ccccc1-c1noc([C@H](C)NC(=O)C2CCCCC2)n1 4998245 UDAZDPQAVMONKE-LBPRGKRZSA-N 329.400 3.503 0 50 EHAA Cc1ccc(N2CCN(Cc3ccc(Br)o3)CC2)cc1 6667485 ATQIMXIKVXMAMT-UHFFFAOYSA-N 335.245 3.673 0 50 EHAA Cc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C(C)C 6699287 JHYIRVIEYKHKPT-UHFFFAOYSA-N 347.469 3.508 0 50 EHAA CCOc1cccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 6742769 JLTSJUKWCDCJBR-IBGZPJMESA-N 341.407 3.895 0 50 EHAA CCS(=O)(=O)Nc1cccc(C(=C2CCCCC2)c2cnc[nH]2)c1 9229227 MTZVJHSZYMWIAG-UHFFFAOYSA-N 345.468 3.937 0 50 EHAA biogenic,in-vivo CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)C1CCCC1 12714221 GIDMTDKNOVGBIH-UHFFFAOYSA-N 346.490 3.729 0 50 EHAA CCOC(=O)c1c(C)nsc1NC(=O)c1ccc(F)cc1Cl 17071615 CPDYXBHKOBXJSE-UHFFFAOYSA-N 342.779 3.673 0 50 EHAA CCOC(=O)CNC(=O)N1CCCCC[C@@H]1c1ccccc1Cl 35561717 YIFLZALCGAXEKE-OAHLLOKOSA-N 338.835 3.530 0 50 EHAA Cc1cc(CNC(=O)C[C@@H](c2ccccc2)c2ccc(F)cc2)[nH]n1 55183229 YBEKDYRVXWCMTC-IBGZPJMESA-N 337.398 3.696 0 50 EHAA CC(C)c1nccn1CCCNCc1c[nH]nc1-c1ccc(F)cc1 55212148 JFXFFCDVDWDVBO-UHFFFAOYSA-N 341.434 3.716 0 50 EHAA CCSc1nc(CC(=O)N(Cc2ccccn2)CC(C)C)cs1 55343716 DIONBVGDLPRLDV-UHFFFAOYSA-N 349.525 3.877 0 50 EHAA CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H]2OC(=O)CCC/C=C\C[C@@H]21 64857957 ZVWMOTMHZYWJPF-YNNPMVKQSA-N 336.472 3.523 0 50 EHAA in-vitro CC(=O)N1CCC(N(C)Cc2sc3ccccc3c2Cl)CC1 65369872 DSCGVKFSFDKBAJ-UHFFFAOYSA-N 336.888 3.997 0 50 EHAA CCCC(=O)N1CCC[C@@]2(CCN(Cc3cc(C)cc(C)c3)C2)C1 67447233 DVZZZIBJKFTFON-NRFANRHFSA-N 328.500 3.918 0 50 EHAA O=C(O)c1ccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)cc1 67678877 GXVONGNEQBYSHB-UHFFFAOYSA-N 344.374 3.687 0 50 EHAA CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)c1onc2ccccc12 67871921 MXUUXBWARKAMCL-UHFFFAOYSA-N 338.392 3.552 0 50 EHAA CCc1ccc(-c2nccn2CCC(=O)Nc2ccccc2C)nc1 72406951 SOPKRHYRNYGYAT-UHFFFAOYSA-N 334.423 3.845 0 50 EHAA CNC(=O)c1ccc(-c2cc(NC3CCCC3)nc3[nH]ccc23)cc1 72476505 ZYETVVBASYBXNF-UHFFFAOYSA-N 334.423 3.944 0 50 EHAA COCC[C@@]1(CO)CCCN(Cc2cccc(OC3CCCC3)c2)C1 91713384 SOQZTDNVSVGKMY-NRFANRHFSA-N 347.499 3.619 0 50 EHAA CCCc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)[nH]n1 91932149 ZDYJMTIJPRMRCX-KRWDZBQOSA-N 337.427 3.606 0 50 EHAA Cc1c(CNC(=O)N2Cc3ccccc3-c3ccccc3C2)cnn1C 121927787 BTZFAYMSILQXFC-UHFFFAOYSA-N 346.434 3.621 0 50 EHAA Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 155055510 DXJAXGMPBYYNIF-SCLBCKFNSA-N 343.446 3.893 0 50 EHAA CC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 186139089 HUBLNNWZLXDTGV-VXGBXAGGSA-N 337.345 3.699 0 50 EHAA COc1ccc(F)c(C(=O)N[C@H]2CC(C)(C)c3ccccc32)c1OC 188599389 VCWVYEYZUPFUQL-HNNXBMFYSA-N 343.398 3.995 0 50 EHAA Cc1ccc(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)c(Cl)c1 192391207 CLYWHGSRAQMEPM-IBGZPJMESA-N 327.811 3.920 0 50 EHAA CCN(C(=O)c1cc(C)nc2cc(Cl)ccc12)[C@@H]1CCCC[C@H]1O 216249614 NNJFKSRDMTZVON-QZTJIDSGSA-N 346.858 3.962 0 50 EHAA Cc1ccoc1C(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F 225406767 DZADWISTJFPHGM-RISCZKNCSA-N 339.313 3.555 0 50 EHAA CN1CC[C@H](CNCc2cscn2)[C@H]1c1ccc(Cl)c(F)c1 245289930 GCNBJVGWDQVHRK-MLGOLLRUSA-N 339.867 3.718 0 50 EHAA CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 245377491 LKQDFQLSEHWIRK-YRCLAMMRSA-N 334.500 3.710 0 50 EHAA CC(C)N(C)c1ccc(CNC[C@H](O)c2ccc3ccccc3c2)cn1 252507902 WWJPTIDFXTYDRT-NRFANRHFSA-N 349.478 3.903 0 50 EHAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 269263432 KAZFBJCDLHBSKX-UNJBNNCHSA-N 341.282 3.683 0 50 EHAA CCOc1nc(C)ccc1C(=O)N1CCC[C@H]1c1csc(C)n1 276867712 JRYYBCZQZPRHRO-HNNXBMFYSA-N 331.441 3.531 0 50 EHAA CCOC(C)(C)C(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 299776443 BQKPBWYDSPBCTA-SFHVURJKSA-N 332.488 3.535 0 50 EHAA CC1(C)C[C@@H](Nc2cccc(-c3nnc4n3CCCCC4)c2)CO1 333131563 BTXFPROSDJEENR-MRXNPFEDSA-N 326.444 3.651 0 50 EHAA Clc1ccc2c(ccn2CCSc2ncnc3[nH]cnc23)c1 351678878 UGJYJSPPKRIWPW-UHFFFAOYSA-N 329.816 3.753 0 50 EHAA O=C(O)CC1(NC(=O)N2CC[C@H](c3ccc(F)cc3)C2)CCCCC1 426490294 YYFQXAROGKMNMF-HNNXBMFYSA-N 348.418 3.502 0 50 EHAA O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cc(Cl)c[nH]1 426647306 OYYREDQDFJWEBU-KRWDZBQOSA-N 331.847 3.625 0 50 EHAA CCC[C@@H](CNC(=O)c1cccc(-c2ccc(OC)cc2)c1)N(C)C 822790896 ILGAQPZXJCJPOY-IBGZPJMESA-N 340.467 3.822 0 50 EHAA CC1(C)N[C@@H](c2cnc3c(F)cccc3c2)N(CC2CCCC2)C1=O 877857278 NOYCWTVAMFOEGI-GOSISDBHSA-N 341.430 3.773 0 50 EHAA O=C(Nc1ccnn1Cc1ccc(Cl)s1)c1ocnc1C1CC1 888256074 OVSUDRQNVWHSGO-UHFFFAOYSA-N 348.815 3.764 0 50 EHAA Cn1ccnc1C(=O)N(Cc1cccnc1)[C@H]1CCCc2ccccc21 952985082 BIKWVWLLXSFQJL-IBGZPJMESA-N 346.434 3.535 0 50 EHAA CC[C@@H]1C[C@H]1CNC(=O)N1CCC[C@@H](c2cncn2C(C)(C)C)C1 1263109075 NYGCBBUQULKJJT-OAGGEKHMSA-N 332.492 3.573 0 50 EHAA O=C1CCCN1Cc1ccccc1NCc1cc(O)cc(Cl)c1 1334920848 MUVJIWPOUUNOPL-UHFFFAOYSA-N 330.815 3.780 0 50 EHAA CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1ocnc1C1CC1 1353286693 XFUPGGWDQQGZGH-NSHDSACASA-N 345.468 3.796 0 50 EHAA O=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)N[C@H]1C[C@H]2OCC[C@@H]12 1565506546 DSHFPXMVEDWCRB-RYQLBKOJSA-N 344.842 3.561 0 50 EHAA CC(C)(C)OC(=O)N1CCNc2cc(Br)ccc2C1 1857781084 KANBRNCUSLWDBJ-UHFFFAOYSA-N 327.222 3.612 0 50 EHAA CCC[C@@H](CC1CCCC1)C(=O)Nc1ncc(C(=O)OC)cc1O 1875347581 QIGBPUTVWAUJNL-ZDUSSCGKSA-N 334.416 3.509 0 50 EHAA Cc1cc(C(=O)NC[C@@H](C)c2cccc(Cl)c2)n2nc(C)cc2n1 1875358168 MEXJKPWKBUBKQG-LLVKDONJSA-N 342.830 3.533 0 50 EHAA Cn1ncc(C(=O)NCc2cccc3occc23)c1Cc1ccccc1 2325825103 DLEWHSCNZKFCOP-UHFFFAOYSA-N 345.402 3.687 0 50 EHAA N[C@H]1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)c2ccccc21 2325855572 GPMBIQOKQCOLIZ-HNNXBMFYSA-N 337.810 3.939 0 50 EHAA c1ccc(CN2CC[C@]3(CCN(c4nccc5ncccc45)C3)C2)cc1 2325856278 ITZMFZDQBYRWNA-QFIPXVFZSA-N 344.462 3.732 0 50 EHAA CCN(CC)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 146498 MXSGYWQYRMCCTM-UHFFFAOYSA-N 338.860 3.987 0 50 EHAA COC(=O)c1c(NC(=O)c2ccncc2)sc2c1CCCCCC2 475703 BUKHKDZHPNMRDX-UHFFFAOYSA-N 344.436 3.841 0 50 EHAA O=C(Cc1cccc2ccccc12)Nc1ccc(N2CCOCC2)cc1 617055 NTPIHGQHMNABKU-UHFFFAOYSA-N 346.430 3.858 0 50 EHAA CCCSc1nnc2c(n1)O[C@H](CC)N(C(C)=O)c1ccccc1-2 2488885 DBHDXCQPYAWCQQ-CQSZACIVSA-N 344.440 3.522 0 50 EHAA O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(F)cc1F 3537953 XHPNGSULBBOVAF-UHFFFAOYSA-N 344.405 3.858 0 50 EHAA CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC)c2c1 3999904 SUWZHLCNFQWNPE-LATRNWQMSA-N 340.467 3.787 0 50 EHAA in-man COc1cccc(CNCc2cccnc2)c1OCc1ccccc1 4168191 CVRJKRASFHXXBY-UHFFFAOYSA-N 334.419 3.959 0 50 EHAA COc1cccc(CNC[C@H]2CCCO2)c1OCc1ccc(F)cc1 5019158 PXDAJQVGPZMSMR-GOSISDBHSA-N 345.414 3.682 0 50 EHAA CCOc1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1 9318866 FVCJEXPOXKKSMH-UHFFFAOYSA-N 325.393 3.856 0 50 EHAA CC(C)c1nc2cc(C(=O)NCc3nc4ccccc4n3C)ccc2o1 12307187 FVOJDMLLKWIWQV-UHFFFAOYSA-N 348.406 3.768 0 50 EHAA CC(C)C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1csnn1 12576025 JHHMMNLBTNOCIV-MRXNPFEDSA-N 340.452 3.805 0 50 EHAA CSc1ccccc1C(=O)N1CCO[C@H](Cc2cccc(F)c2)C1 12591569 HTSWDCMIXMPWEN-MRXNPFEDSA-N 345.439 3.631 0 50 EHAA Nc1nc(SCc2ccccc2Cl)[nH]c(=O)c1-c1ccccc1 13111419 NRYIREXLENEDLB-UHFFFAOYSA-N 343.839 3.965 0 50 EHAA CCOc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1 13131821 LZHAFSAWFPSVOP-QZTJIDSGSA-N 338.386 3.962 0 50 EHAA aggregator O=C(NC1CCCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 13328417 XIXDPCSVAADETG-UHFFFAOYSA-N 342.270 3.768 0 50 EHAA CC(C)c1noc(-c2ccc(NCc3cn4ccsc4n3)nc2)n1 19226911 QAPDRCZLVAEKQL-UHFFFAOYSA-N 340.412 3.576 0 50 EHAA O=C1CCN(Cc2cccs2)CCN1Cc1ccccc1Cl 20775025 NPXORUKBCBTWOP-UHFFFAOYSA-N 334.872 3.636 0 50 EHAA CC(=O)Nc1ccc(CN[C@H]2CCCN(CC3CCCCC3)C2)cc1 23373704 DDLGVPWFXVWKIW-NRFANRHFSA-N 343.515 3.779 0 50 EHAA CCCCN1CCN(CCCC)[C@@H](C(=O)Nc2c(C)cccc2C)C1 31375125 SKJYXFYNQICALD-LJQANCHMSA-N 345.531 3.828 0 50 EHAA O=C(CCC(=O)N1CCC[C@H]1c1ccccn1)c1ccc(F)cc1 55514478 ONCCAMKMYSRNMS-KRWDZBQOSA-N 326.371 3.547 0 50 EHAA C[C@H]1CCCN1Cc1cccc(C(=O)Nc2nn(C)c3ccccc23)c1 67643642 VUXZGBIXGBWHPT-HNNXBMFYSA-N 348.450 3.810 0 50 EHAA O=C(Nc1ccc(Cc2nc(CCc3ccccc3)n[nH]2)cc1)C1CC1 67691379 JRBPDVZYEGEZFG-UHFFFAOYSA-N 346.434 3.529 0 50 EHAA Cc1ncc(C)c(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 71419064 PCBCAYFWKHWYNM-HNNXBMFYSA-N 338.238 3.978 0 50 EHAA CC(C)(C(=O)N1CC[C@@H](c2ccccc2C(=O)O)C1)c1ccccc1 72123908 ONDIDBNZMPISDT-OAHLLOKOSA-N 337.419 3.679 0 50 EHAA CCc1[nH]c2c(CNC(=O)[C@@H](C)n3cc(C)cn3)cc(C)cc2c1C 72148613 HUCQTYMDBSOXKT-OAHLLOKOSA-N 338.455 3.729 0 50 EHAA c1ccc(-n2cccn2)c(CN2CCCC[C@@H]2CCn2cccn2)c1 77553998 TZZIQUAFNWDOMV-LJQANCHMSA-N 335.455 3.514 0 50 EHAA CCCC[C@H](c1cccnc1)N(C)C(=O)c1cc(C(C)C)nn1C 82107974 URJCSTIUFWVAPM-QGZVFWFLSA-N 328.460 3.942 0 50 EHAA O=C(Nc1ccc(F)cc1F)c1ccc(Oc2ncccn2)cc1 85534082 UMJBWTPRUMDONC-UHFFFAOYSA-N 327.290 3.799 0 50 EHAA Cc1cc(C)c2[nH]c(C(=O)N3CCN[C@H](c4ccccc4)C3)c(C)c2c1 91593354 UFYWWRQCGWQGAL-IBGZPJMESA-N 347.462 3.880 0 50 EHAA O=C(O)c1cccc(Cn2cnc(-c3ccccc3)c2[C@H]2CCOC2)c1 91694515 CZRLQKIFAQRGRD-SFHVURJKSA-N 348.402 3.801 0 50 EHAA Cc1cc(C)c2[nH]c(C)c(CC(=O)NCCCc3ccccn3)c2c1 91950914 KARUSABFTIIRLT-UHFFFAOYSA-N 335.451 3.780 0 50 EHAA CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 92107900 NIIHSIPHEDFMAI-CYBMUJFWSA-N 349.837 3.644 0 50 EHAA CCCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(C(C)C)on2)C1 95381250 UQTHNLUCLLFVSN-HNNXBMFYSA-N 344.459 3.814 0 50 EHAA C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc3ccccc3n2)C1=O 100572689 CCHODWZWDSSKRR-YOEHRIQHSA-N 330.387 3.918 0 50 EHAA Cc1ncc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)s1 117173823 DQUBWWLKGLFBSF-UHFFFAOYSA-N 336.844 3.789 0 50 EHAA COc1ccc(C(=O)N(C)C)cc1N[C@H]1CCC[C@H](C(F)(F)F)C1 129313182 FSWKVKROYRWWEC-STQMWFEESA-N 344.377 3.930 0 50 EHAA Cc1nc(S)sc1CC(=O)Nc1ccc(O)c(C(F)(F)F)c1 134224236 TVTFROXQWAYXCH-UHFFFAOYSA-N 348.371 3.646 0 50 EHAA CCc1cccc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCN2C3=O)c1 169765944 YGDDSCIGOAMCKW-LJQANCHMSA-N 349.434 3.513 0 50 EHAA CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccco1 170602983 CQMLBVLZPFAKKF-UHFFFAOYSA-N 349.330 3.888 0 50 EHAA COc1csc(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)c1 176601826 HRQAZXGVCGRQNG-UHFFFAOYSA-N 344.436 3.681 0 50 EHAA Cc1nnc(CSCCOc2cc(F)cc(Br)c2)o1 187532091 DAJQVZRTHFPXJJ-UHFFFAOYSA-N 347.209 3.592 0 50 EHAA Cc1ccccc1-c1cccc(CN2CCN(CCCCO)CC2)c1 215435093 IDOBUGMHPLURMY-UHFFFAOYSA-N 338.495 3.552 0 50 EHAA CCSc1ccc(C(=O)N2CCC[C@@H](c3ccncn3)C2)s1 221274632 UAXIIOLBOLQKSO-GFCCVEGCSA-N 333.482 3.670 0 50 EHAA Cc1ccc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)cc1 222913995 HGFBASKTFFDWOK-CNBHCMJISA-N 346.430 3.785 0 50 EHAA Cc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 223667188 UIUWSOXKWUQZPL-LBPRGKRZSA-N 343.345 3.731 0 50 EHAA COc1ccc(OC)c(C2=NN(C(C)=O)[C@H](c3ccc(C)cc3)C2)c1 225848860 UBOZACXKCONXNJ-IBGZPJMESA-N 338.407 3.710 0 50 EHAA CCCc1ccc(-c2ccc(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4C(=O)O)cc2)cc1 244605515 DZWJMFZBQMZRQL-PMOLBWCYSA-N 349.430 3.709 0 50 EHAA CC1(C)C[C@@](CCNC(=O)c2cncs2)(c2ccccc2)CCO1 244899706 ZOMTYKPYQCLWPW-IBGZPJMESA-N 344.480 3.790 0 50 EHAA O=C(Cc1cnccn1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 252497111 PZLFPJNYTDEQFZ-IBGZPJMESA-N 337.810 3.578 0 50 EHAA FC(F)(F)c1cccc(-c2noc(Cn3cnc4c3CCCC4)n2)c1 280158636 AVWBAPTXRZFCIU-UHFFFAOYSA-N 348.328 3.879 0 50 EHAA Cc1nn(C(C)C)cc1CN1CCC[C@@](CO)(Cc2ccccc2)C1 291157304 BZIWYMKLJQWVAN-OAQYLSRUSA-N 341.499 3.590 0 50 EHAA Cc1cc2sc(NC(=O)c3cnc(C4CC4)nc3)nc2cc1F 295088032 DZSWQCPJJBCBPH-UHFFFAOYSA-N 328.372 3.664 0 50 EHAA Cc1nn(C)c(C)c1CN1CC(Cc2ccc(C(F)(F)F)cc2)C1 656655421 GTMFXPUXTDOIOA-UHFFFAOYSA-N 337.389 3.730 0 50 EHAA CCc1c(-c2csc([C@H]3CCN(C(C)=O)C3)n2)[nH]c(C)c1C(C)=O 887281216 SDTZZRKZXZJYGD-ZDUSSCGKSA-N 345.468 3.547 0 50 EHAA O=C(c1ccnc(-c2ccco2)c1)N1CCOC2(CCCCC2)C1 933587891 ZJTGKSYOXKOILH-UHFFFAOYSA-N 326.396 3.517 0 50 EHAA CCc1nnc([C@H]2CCCN(Cc3ccc(OC)c(F)c3)[C@H]2C)o1 952853044 XHDJQLWHROPCQQ-JSGCOSHPSA-N 333.407 3.548 0 50 EHAA CC(C)CCCC(=O)N[C@H]1COC[C@@H]1Cc1ccnc2ccccc12 1616080303 LOPBYDQSYIZINU-PXNSSMCTSA-N 340.467 3.735 0 50 EHAA CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 1875355949 HTJHLXGJMZPPES-LLVKDONJSA-N 341.379 3.943 0 50 EHAA Cc1oc2nc(CN[C@H](C)c3cccc4cc[nH]c34)nc(N)c2c1C 2325806101 UPFIFALNGGGFTL-LLVKDONJSA-N 335.411 3.754 0 50 EHAA Cc1ccc2c(c1)CC[C@H]2NC(=O)c1c(F)ccc(C(=O)O)c1C 2325829021 YJHXAUUOCWUJKJ-MRXNPFEDSA-N 327.355 3.558 0 50 EHAA COc1cc(N(C)Cc2ccc(C)c(C)c2)nc(C2CCOCC2)n1 2325865001 IOGZCYXSVJLHPK-UHFFFAOYSA-N 341.455 3.632 0 50 EHAA CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCc2cc(C(=O)O)ccc2C1 2325880204 YKLFVBDKMQKSOW-FSPWUOQZSA-N 329.440 3.575 0 50 EHAA C[C@@H]1CCCCN1C(=O)c1ccc(C(=O)N2CCCC[C@H]2C)cc1 29176 FFRPXIHFEUDATH-HZPDHXFCSA-N 328.456 3.716 0 50 EHAA O=C(CSCC(=O)Nc1ccccc1Cl)Nc1ccccc1 149870 WRTMHOZMSPWYGC-UHFFFAOYSA-N 334.828 3.650 0 50 EHAA O=C(NC(=S)N(c1ccccc1)c1ccccc1)c1cccnc1 218262 WZKCLQIUBNFEED-UHFFFAOYSA-N 333.416 3.935 0 50 EHAA CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 303753 MRZDOZSCBYIWRV-UHFFFAOYSA-N 327.380 3.532 0 50 EHAA Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1Br 439018 DYUIPOIEOVWKCR-UHFFFAOYSA-N 349.253 3.884 0 50 EHAA C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 3881918 HQLLRHCTVDVUJB-OBHOOXMTSA-N 332.440 3.721 0 50 EHAA biogenic,in-vitro CCOC(=O)CNC(=O)N1c2ccccc2Sc2ccccc21 4810926 XSQCXSYGVNWZMU-UHFFFAOYSA-N 328.393 3.562 0 50 EHAA O=C1/C(=C/c2c(F)cccc2Cl)NC(=S)N1c1ccccc1 4916331 YJTDRLFZQQMCQW-ZROIWOOFSA-N 332.787 3.741 0 50 EHAA CCCCC[C@@H]1C[C@H](NCCCN(C)C)C=C(C)[C@@H]1C(=O)OCC 5163989 JRFXBJKUUCWENF-QRVBRYPASA-N 338.536 3.622 0 50 EHAA O=C(Nc1ccc(Br)cn1)c1ccc(F)cc1Cl 6715441 ZIASLVXLRXUFJP-UHFFFAOYSA-N 329.556 3.889 0 50 EHAA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CC(=O)Nc2ccccc21 12380343 NYAHQGJTPPWADE-CQSZACIVSA-N 346.386 3.592 0 50 EHAA CC1(C)CC(=O)c2cnc(NC(=O)Nc3ccc(Cl)cc3)nc2C1 12652499 FLFITPPGIVNIPZ-UHFFFAOYSA-N 344.802 3.929 0 50 EHAA CCCCc1nc2cc(C(=O)N3CCCC[C@@H]3COC)ccc2o1 12718994 BPRFDGYOZIQGGM-OAHLLOKOSA-N 330.428 3.812 0 50 EHAA O=C(c1cn(C2CCCCC2)nn1)N1CCc2c(Cl)cccc2C1 15066239 QLAJYIWHHDGNDN-UHFFFAOYSA-N 344.846 3.635 0 50 EHAA O=C(Cc1ccsc1)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 15075235 RCHQQJXLVWTYDI-QGZVFWFLSA-N 348.899 3.725 0 50 EHAA O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccc(Br)cc1Cl 18116929 DSYRGAJLKKKQSJ-AOOOYVTPSA-N 340.604 3.558 0 50 EHAA CCOc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1 19809350 XZDGGTZAEXTJDD-UHFFFAOYSA-N 328.431 3.542 0 50 EHAA Fc1ccccc1-c1noc(-c2ccc(NCc3cccnc3)nc2)n1 20270826 VIPOQXUYMDTQQC-UHFFFAOYSA-N 347.353 3.945 0 50 EHAA COC(=O)[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 37256293 QGSITPKXYQEFIR-XEGCMXMBSA-N 343.426 3.836 0 50 EHAA in-vitro COC(=O)c1cc(CCO)c2cccc(OCc3ccccc3)c2c1 43808020 RPPVDQKYAZQTQN-UHFFFAOYSA-N 336.387 3.740 0 50 EHAA CCCCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H]1CCCC(=O)O1 44676005 AWRLHDHWBSHXSP-HIGBTYBHSA-N 336.472 3.523 0 50 EHAA in-vitro CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2cc(C)no2)cc1 47523912 YCUGSDVMAWSTAZ-OAHLLOKOSA-N 343.383 3.529 0 50 EHAA CC[C@@H](CO)N(Cc1cccc(-n2cccn2)c1)Cc1cccs1 55091028 VWWKYLCIWSMXSP-KRWDZBQOSA-N 341.480 3.707 0 50 EHAA Cc1c(NC(=O)c2cc(C(C)C)n[nH]2)cccc1C(=O)NC(C)(C)C 55108678 UYMQNXLSLFBINU-UHFFFAOYSA-N 342.443 3.622 0 50 EHAA CCc1ncc(-c2cc(C(=O)N3CCCC3)c3ccc(C)cc3n2)cn1 63847728 XFDAJHOXYASHAA-UHFFFAOYSA-N 346.434 3.799 0 50 EHAA O=C(c1ccc(F)cc1)N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67649461 WVPZBWSEFWTBEZ-LEWJYISDSA-N 349.405 3.970 0 50 EHAA Fc1cccc(-c2noc3c2CN(c2cc(C4CC4)ncn2)CC3)c1 67740591 ACGLTUGPKDMJDS-UHFFFAOYSA-N 336.370 3.711 0 50 EHAA O=C(CCC(F)(F)F)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 72463117 JREFBPQHYFGEOI-LBPRGKRZSA-N 329.297 3.708 0 50 EHAA CC(C)=CCC[C@@]1(C)CCC(=O)N(Cc2ccc(C(=O)N(C)C)o2)C1 91526928 BJGADRJUSCWUPN-FQEVSTJZSA-N 346.471 3.857 0 50 EHAA CC1(C)CN(Cc2cnn(-c3ccccc3Cl)c2)CC[C@]1(C)O 91604537 FGVIAROYWHZVRQ-SFHVURJKSA-N 333.863 3.509 0 50 EHAA C1CCc2sc([C@@H]3CCCN(CCCN4CCCC4)C3)nc2C1 119463628 FAXDBMDGVOFTPG-MRXNPFEDSA-N 333.545 3.687 0 50 EHAA Cc1cc(C)n([C@@H](C)C(=O)Nc2cnccc2-c2cccc(F)c2)n1 177532501 OIAAXXGTSRZDTJ-AWEZNQCLSA-N 338.386 3.901 0 50 EHAA CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[C@@H]1CCCCO1 181824860 XLYVMYBTTVBVGO-HNNXBMFYSA-N 344.377 3.806 0 50 EHAA C[C@H](NC(=O)C[C@@H]1C=CCCC1)c1ccc(NC(=O)NC2CC2)cc1 186746697 TYCGCNVFDGLJTK-LSDHHAIUSA-N 341.455 3.894 0 50 EHAA CC(C)c1ccc2c(c1)[C@H](NC(=O)CCc1cncn1C)CCC2 189364357 MWOIVJTYYGUWDD-LJQANCHMSA-N 325.456 3.670 0 50 EHAA Cc1cccc(-n2cc(CN(C)Cc3cc(C(C)(C)C)n[nH]3)cn2)c1 215975830 OLIJZXARFBHTHM-UHFFFAOYSA-N 337.471 3.833 0 50 EHAA CSc1ccc(CC(=O)N(C)[C@H](C)Cc2ncccc2C)cc1 219024907 SZGWISUXSZGPQK-OAHLLOKOSA-N 328.481 3.744 0 50 EHAA Cc1cc(-n2ccnc2)ccc1CSc1nnc(C)n1C(C)C 225450132 WKWQPNGSWQEFCQ-UHFFFAOYSA-N 327.457 3.954 0 50 EHAA CSc1nc2ncnc(Oc3ccc4ccc(=O)oc4c3)c2s1 253419899 DRVOCIYESGNENJ-UHFFFAOYSA-N 343.389 3.707 0 50 EHAA Cn1ccnc1[C@H]1OCCC[C@@H]1NCc1cccc(Cl)c1Cl 275704878 XVSHIZBKYDKVFX-ZFWWWQNUSA-N 340.254 3.737 0 50 EHAA Cc1ccc2c(NC(=O)N3CCC[C@H](c4cc[nH]n4)C3)cccc2n1 299773303 DHDHJHGWZBPEQH-AWEZNQCLSA-N 335.411 3.678 0 50 EHAA CC[C@H](NC(=O)c1cccc(-c2ccc(C)cn2)c1)c1ccnn1C 299799207 RKYYELUZFBYAOC-KRWDZBQOSA-N 334.423 3.672 0 50 EHAA Cn1cc([C@H]2C[C@H]2C(=O)N(c2ccccc2F)C2CCCC2)cn1 377917470 QDYCPTVNVDBWNW-HZPDHXFCSA-N 327.403 3.639 0 50 EHAA CCn1ccc(CNC(=O)N2CCC(c3cccc(Cl)c3)CC2)n1 413621201 CEJUSDCAWNIFNJ-UHFFFAOYSA-N 346.862 3.646 0 50 EHAA COCC(C)(C)CNC(=O)c1cccc(-c2ccccc2C(C)=O)c1 426667343 ATNSKWFYMLLRLX-UHFFFAOYSA-N 339.435 3.959 0 50 EHAA COc1ccc(F)c2[nH]c(C(=O)N3CC=C(c4ccccc4)C3)cc12 476657162 FULKCBQOOHLAQT-UHFFFAOYSA-N 336.366 3.855 0 50 EHAA CC(C)c1noc(C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)n1 584895645 QRKCHQYLACZOIM-UHFFFAOYSA-N 339.439 3.702 0 50 EHAA Cc1ccc(SCCCNC(=O)N(C)[C@H](C)c2ccncn2)cc1 825180619 LIUYJLFKYGYPHW-OAHLLOKOSA-N 344.484 3.670 0 50 EHAA Cc1cc(NC(=O)C[C@@H]2CCCCN2C)ccc1NC(=O)C(C)(C)C 827807195 WYUWZQZBQDBGLU-INIZCTEOSA-N 345.487 3.793 0 50 EHAA O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)N1C[C@@H]2C[C@H]2C1 887602957 NWPSENDVNDJKDR-JENIJYKNSA-N 345.446 3.961 0 50 EHAA CC[C@H](C)c1ccccc1OCC(=O)N(C)CC1(CO)CCCC1 952983775 RHZVYZLUWMBGBG-INIZCTEOSA-N 333.472 3.590 0 50 EHAA CCc1nn(C)c(NC(=O)c2cccc(NC(=O)[C@@H](C)CC)c2)c1C 1529141924 SZIPQRTWJMYELW-LBPRGKRZSA-N 342.443 3.528 0 50 EHAA Cc1ccccc1CCC(=O)N(C)[C@@H]1C[C@@H]2C[C@H](N(C)C)C[C@@H]2C1 1529151538 JTQUOBGHRVRCBF-FGYAAKKASA-N 328.500 3.505 0 50 EHAA CCCC[C@@H]1CN(Cc2cn3cc(C)ccc3n2)C[C@H](C2CC2)O1 1857737136 YVYGMDHJXJLUSF-RTBURBONSA-N 327.472 3.812 0 50 EHAA CC[C@@H]1CCC[C@H](CNC(=O)NC[C@@H](c2ccsc2)N(C)C)C1 1875323122 YEFHBBDXAADOSX-VYDXJSESSA-N 337.533 3.866 0 50 EHAA C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc2c(=O)ccoc2c1 2325748796 RTTAYEKWVSVRQN-AWEZNQCLSA-N 348.402 3.668 0 50 EHAA O=C(OCc1ccc(-n2ccnc2)cc1)c1ccc(F)c2ccncc12 2325855825 QGYNNZKUXKTLSY-UHFFFAOYSA-N 347.349 3.917 0 50 EHAA COc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 117674 CZQBRFPUGDMJKW-UHFFFAOYSA-N 336.343 3.510 0 50 EHAA biogenic O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cccs1 174188 YIJMPFYHUYOWIF-UHFFFAOYSA-N 345.474 3.998 0 50 EHAA aggregator O=C1SCC[C@H]1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 182268 ZWYSXTKPLRQRTI-HZPDHXFCSA-N 343.473 3.668 0 50 EHAA CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2)CC1 197047 VOIHGAVMVPVGTC-LEWJYISDSA-N 349.478 3.571 0 50 EHAA COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1OC 270897 GNXBUSNTBCDCKB-UHFFFAOYSA-N 339.435 3.946 0 50 EHAA Cc1cc(OCC(=O)N2CCCCCC2)cc(C)c1Br 311175 KTNMVGXAWCRIIY-UHFFFAOYSA-N 340.261 3.847 0 50 EHAA NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 368418 GBTPTUDCDMYPEW-UHFFFAOYSA-N 340.766 3.951 0 50 EHAA Cc1ccnc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 452911 SYMIRSXRSGUOIC-UHFFFAOYSA-N 327.453 3.814 0 50 EHAA O=C(C[C@H]1COc2ccccc2O1)Nc1cccc(C(F)(F)F)c1 613179 WUDFZKZGTFACRF-ZDUSSCGKSA-N 337.297 3.874 0 50 EHAA CCOc1ccc2nc(NC(=O)CSc3ccccn3)sc2c1 2801268 NZPPFDKWQXUSGX-UHFFFAOYSA-N 345.449 3.821 0 50 EHAA COC(=O)c1ccc(OCCCCN(C)Cc2ccccc2)cc1 2822260 PMCQJXAADVRAQY-UHFFFAOYSA-N 327.424 3.764 0 50 EHAA CCOC(=O)C[C@@H](NC(=O)c1ccccc1F)c1ccccc1Cl 4653376 SUOHDFKHJZDNJZ-MRXNPFEDSA-N 349.789 3.903 0 50 EHAA Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 5050277 DIHABPMFIHOJAB-QGZVFWFLSA-N 336.435 3.912 0 50 EHAA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccccc1F 5451532 OEISHEUQBWPCRP-UHFFFAOYSA-N 339.370 3.846 0 50 EHAA CCCCNC[C@@H]1COc2ccc(OCc3ccccc3)cc2C1=O 5590933 VTKRKYXRTYRMHI-QGZVFWFLSA-N 339.435 3.847 0 50 EHAA Cc1ccc2nc(SCC(=O)N[C@H](C)c3ccccc3)[nH]c2c1 6506566 UJGNFDZZVXGAMC-CYBMUJFWSA-N 325.437 3.841 0 50 EHAA CC[C@@H](C)NC(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1 8611494 JQSHOVCXGXFSRU-CYBMUJFWSA-N 338.407 3.956 0 50 EHAA Cc1c(C)n(Cc2ccccn2)c2ncnc(NCc3ccco3)c12 8991453 FOPPQXOAPQRJFW-UHFFFAOYSA-N 333.395 3.697 0 50 EHAA O=C(CCc1ccco1)N1CCc2onc(-c3ccccc3F)c2C1 12571852 AXUCKXBKVFHSRA-UHFFFAOYSA-N 340.354 3.591 0 50 EHAA O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(Br)c(Cl)c1 13845517 BKJFCKVRJCQHIU-AOOOYVTPSA-N 342.620 3.782 0 50 EHAA CCOC(=O)c1sc(N(C(=O)c2ccc(F)cc2)C2CC2)nc1C 13961233 HCLUXXBHDZRPJE-UHFFFAOYSA-N 348.399 3.577 0 50 EHAA COC[C@H]1CCCN(Cc2cn(C)nc2-c2cccc(Cl)c2)C1 14975912 XADNDNHPSSWZDH-AWEZNQCLSA-N 333.863 3.599 0 50 EHAA COc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1CC12CCC2 15064532 PCBYLIURPAGBAC-HNNXBMFYSA-N 338.407 3.689 0 50 EHAA C[C@H]1C[C@@H](C)CN(C(=O)CCCCC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 18192763 HNQLCWVJARYCJT-TVFCKZIOSA-N 336.520 3.556 0 50 EHAA CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cnn(C)c3C)C2)cc1 20868857 XGOSFNXGJCLRAS-MRXNPFEDSA-N 343.496 3.545 0 50 EHAA COc1ccc(Br)cc1CNc1ccc2c[nH]nc2c1 23282620 KPGWKXBNHPLZHA-UHFFFAOYSA-N 332.201 3.946 0 50 EHAA COc1ncccc1CN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 67884793 OGQREFCUYIEPHS-LEWJYISDSA-N 348.446 3.594 0 50 EHAA c1ccc(-c2nc3c(c(N4CCC5(CCCO5)CC4)n2)CCC3)cc1 71760058 IBJFWGWRSYDKSO-UHFFFAOYSA-N 335.451 3.782 0 50 EHAA CC(C)c1nc(Cn2ccnc2-c2coc(-c3ccccc3)n2)no1 71762624 JMQDVGVXQFQQDP-UHFFFAOYSA-N 335.367 3.760 0 50 EHAA Cc1ccc([C@@H](Cn2ccnc2-c2ccnc(C(C)C)n2)N(C)C)o1 72408857 ZTUDFHYCULWICL-MRXNPFEDSA-N 339.443 3.668 0 50 EHAA C[C@H](CN1CCOCC1)n1ccnc1-c1cc(Cl)ccc1Cl 72421446 ISUPVTIMFHSLOG-GFCCVEGCSA-N 340.254 3.750 0 50 EHAA Cc1cccc(N2CCC(NC(=O)c3cc(C(C)C)on3)CC2)c1 77406432 HUXHLEHOMURZEF-UHFFFAOYSA-N 327.428 3.505 0 50 EHAA Oc1ccc(CN(Cc2cc(O)c3cccc(F)c3n2)C2CC2)cc1 91846464 UXSDZQOBFWPJNK-UHFFFAOYSA-N 338.382 3.950 0 50 EHAA Cc1cc(C)cc([C@@H](O)CN(C)Cc2nc(-c3ccccc3)c[nH]2)c1 133633764 YWOWIGCREZUXFW-FQEVSTJZSA-N 335.451 3.859 0 50 EHAA Brc1ccccc1C1CCN(Cc2cncnc2)CC1 188621275 GAVKAWWTGHOJHI-UHFFFAOYSA-N 332.245 3.619 0 50 EHAA CN(C)Cc1ccc([C@@H]2CCCN2Cc2ccccc2C(=O)O)cc1 215297907 PNCUYZOARGHBBF-FQEVSTJZSA-N 338.451 3.784 0 50 EHAA CC(C)c1noc([C@H](C)N2CCC[C@@H](n3cnc4ccccc43)C2)n1 229272298 GSJSCQHRINJNBK-LSDHHAIUSA-N 339.443 3.941 0 50 EHAA Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CC[C@@H](N)C3)s2)cc1Cl 237829363 IAFOMHNVWXZLPF-CHWSQXEVSA-N 349.887 3.762 0 50 EHAA O=C(c1csc(Cl)c1)N1CCC(Nc2nccs2)CC1 241720907 QTGXZUVICQUABS-UHFFFAOYSA-N 327.862 3.575 0 50 EHAA CCn1nccc1CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 253393309 ZVEWSTQJTYIBCI-UHFFFAOYSA-N 345.874 3.694 0 50 EHAA COCCc1ccccc1NC(=O)N1Cc2ccccc2OC[C@@H]1C 253430299 IQIGRIXMHZKXDM-HNNXBMFYSA-N 340.423 3.691 0 50 EHAA CN(Cc1ccc(C(=O)O)cc1)C(=O)CC1CC(c2ccccc2)C1 263320947 IWJDVMKJTFDHST-UHFFFAOYSA-N 337.419 3.927 0 50 EHAA O=C(O)C1CCC(Nc2ccc(-c3cn4c(n3)CCCC4)cc2)CC1 263379155 CNCPPXGZTLEOGS-UHFFFAOYSA-N 339.439 3.942 0 50 EHAA c1csc(-c2nc(CN[C@H](c3nnc[nH]3)C3CCCCC3)co2)c1 292285561 UZCAVZPCQHDANU-HNNXBMFYSA-N 343.456 3.932 0 50 EHAA Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)c1 299754108 RTEJGVGLVVFKNX-BBWFWOEESA-N 337.423 3.723 0 50 EHAA CCc1noc(-c2cccc(NC(=O)N(C)C3CCSCC3)c2)n1 299765500 NSXCZVRPAJURSB-UHFFFAOYSA-N 346.456 3.658 0 50 EHAA Cn1cccc1-c1cc(C(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)[nH]n1 299803065 VXPLVGBCMPVZRY-GJZGRUSLSA-N 338.455 3.528 0 50 EHAA COc1ccc(Cc2noc(-c3oc(CC4CC4)nc3C)n2)c(F)c1 350272149 PVYXYKYDLDNJCD-UHFFFAOYSA-N 343.358 3.724 0 50 EHAA CCOc1ccc(-c2cccc(C(=O)NCC3(COC)CC3)c2)cc1 426465209 MDXLYZWFMHUERN-UHFFFAOYSA-N 339.435 3.909 0 50 EHAA C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1ccc(F)c(F)c1 445641919 JJWWNVFITGDVLL-JTQLQIEISA-N 345.324 3.985 0 50 EHAA CC(C)Oc1cccc(CCNC(=O)N(C)[C@@H]2CCOC(C)(C)C2)c1 584889616 HIEAMOXJRAHYGL-QGZVFWFLSA-N 348.487 3.615 0 50 EHAA C[C@@H](NC(=O)C1(c2ccccc2)CCN(C)CC1)C1=CCCCC1 670468751 LBYKYGVCKXPNDI-QGZVFWFLSA-N 326.484 3.655 0 50 EHAA CCC[C@@H]1C[C@H](c2nc(COc3ccc(Cl)nc3)no2)CCO1 864096537 DBWIMGMJALOUTE-VXGBXAGGSA-N 337.807 3.760 0 50 EHAA FC(F)[C@@H]1Oc2ccccc2C[C@H]1c1nc(-c2cscn2)no1 904064624 NHFMKWXILPDDOC-BXKDBHETSA-N 335.335 3.546 0 50 EHAA COc1cc(/C=C2/N=C(c3ccoc3C)OC2=O)cc(Cl)c1OC 917415220 LGSBHGDWKWJUJM-NTUHNPAUSA-N 347.754 3.603 0 50 EHAA Cc1noc([C@@H]2OCC[C@@H]2NCc2cc(Cl)cc3ccccc23)n1 931335460 DYXHCYFLQYAUKR-DLBZAZTESA-N 343.814 3.804 0 50 EHAA Cc1ccc2oc(N3CCCN(Cc4cccs4)CC3)nc2c1 1506426443 OSCQLHBVLHHOTD-UHFFFAOYSA-N 327.453 3.910 0 50 EHAA CCCOc1c(CN2CCC[C@@H]2C2(O)CC2)cc(Cl)cc1OC 1772812078 ABWJTWHZZIIWAY-MRXNPFEDSA-N 339.863 3.627 0 50 EHAA CCc1cc(CNC(=O)N2CCC[C@H]2c2c(F)ccc(C)c2F)n[nH]1 1875293998 KEYUCXRUEIANKT-HNNXBMFYSA-N 348.397 3.605 0 50 EHAA CC(C)c1nc([C@@H]2CCCCCN2C(=O)[C@H](C)OC2CCCC2)no1 2325729073 AQVRZBYHHQVVSH-HOCLYGCPSA-N 349.475 3.984 0 50 EHAA COC(=O)[C@@H](C)Oc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 44944 LBFQXDNMLMJPLV-CYBMUJFWSA-N 338.359 3.709 0 50 EHAA biogenic O=C(O)c1cc(Br)ccc1NC(=O)C1CCCCC1 138840 ZLAFDAGXBATNNP-UHFFFAOYSA-N 326.190 3.666 0 50 EHAA in-vitro O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc(Cl)ccc1O 344732 LEEHBDFESBGVSU-UHFFFAOYSA-N 340.162 3.723 0 50 EHAA COC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 348257 SNAZHMDHOLVLKK-UHFFFAOYSA-N 341.407 3.923 0 50 EHAA Cc1cc(Cl)ccc1OC(=O)Cn1c(=O)sc2ccccc21 389901 CBGVMFNOTDPLPG-UHFFFAOYSA-N 333.796 3.630 0 50 EHAA O=C(COc1cccc(NC(=O)c2ccco2)c1)c1ccc(F)cc1 993442 BRHKJDRCBRFCSN-UHFFFAOYSA-N 339.322 3.933 0 50 EHAA COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Br)n2c1 1399554 PAQDVOPCFPKVDJ-UHFFFAOYSA-N 349.159 3.690 0 50 EHAA Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1F 2758626 BBNIKYBJMXCSMU-UHFFFAOYSA-N 341.308 3.866 0 50 EHAA O=C(Oc1ccccc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 3015933 XJWXNENRPQXHNG-UHFFFAOYSA-N 342.354 3.605 0 50 EHAA O=C(Nc1ccc(Br)cc1)C(=O)c1c[nH]c2ccccc12 3084487 JVCZECLEXIQMDE-UHFFFAOYSA-N 343.180 3.752 0 50 EHAA C[C@@H]1CCCN(C(=O)c2ccccc2NC(=O)c2ccc(F)cc2)C1 4600036 WIUSYAYXJVNHHI-CQSZACIVSA-N 340.398 3.950 0 50 EHAA O=C(NCc1nc(-c2ccccc2)no1)Nc1ccc(Cl)cc1 6730281 YRAMRJAMQRCRRD-UHFFFAOYSA-N 328.759 3.712 0 50 EHAA Fc1ccc(OCc2nnc3sc(-c4cccs4)nn23)cc1 6743304 QQYKUGRYIFJORQ-UHFFFAOYSA-N 332.385 3.632 0 50 EHAA Cc1ccc(-c2noc(CN(C(=O)NC(C)(C)C)C(C)C)n2)cc1 7781729 HFXGUDMRKQULPS-UHFFFAOYSA-N 330.432 3.764 0 50 EHAA CCOc1ccccc1NC(=O)[C@H](CC)Oc1ccc(OC)cc1 11636891 FNCDAAQDVPJPLR-KRWDZBQOSA-N 329.396 3.890 0 50 EHAA O=C(N1CCO[C@H](Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 12112290 ZUXIDCKRHBCZLC-KTKXKACQSA-N 339.479 3.673 0 50 EHAA Cc1ccc2oc(C(=O)NCc3cn4ccsc4n3)c(C)c2c1 12316629 FXJFCACCNWIYNQ-UHFFFAOYSA-N 325.393 3.689 0 50 EHAA Cc1cnc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)s1 13330281 AVZMYKLDCDVKJN-SECBINFHSA-N 341.230 3.620 0 50 EHAA CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1 15860238 SZCPIGYVCIKMIS-SFHVURJKSA-N 342.439 3.554 0 50 EHAA CSc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1 19842638 FEOPHKIAPXXDQZ-UHFFFAOYSA-N 342.533 3.902 0 50 EHAA COc1ccc(-c2ccc(CN[C@@H]3CN4CCC3CC4)o2)cc1Cl 20477312 BZQORBIUJOEMMG-QGZVFWFLSA-N 346.858 3.792 0 50 EHAA COc1ccc2cc([C@@H](C)Nc3nc(C)nc4c3CCNC4)ccc2c1 67955769 BNIACFQGKAJFFY-CYBMUJFWSA-N 348.450 3.766 0 50 EHAA COc1cc(-c2c(-c3ccccc3)ncn2Cc2ncn[nH]2)ccc1C 67973910 NUUZFGCOBJYODU-UHFFFAOYSA-N 345.406 3.701 0 50 EHAA COc1cccc(-c2nccn2CCc2scnc2C)c1OC 71499238 PYTNFTMBNQBLOS-UHFFFAOYSA-N 329.425 3.575 0 50 EHAA COc1ccccc1OC1CN(Cc2cc3cc(F)ccc3n2C)C1 72170306 SBCPWQPPUBPSCG-UHFFFAOYSA-N 340.398 3.589 0 50 EHAA O=C(CCc1ccccc1)[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 77356022 ULQWZTFZSXHIFZ-OAHLLOKOSA-N 341.373 3.769 0 50 EHAA c1cn(Cc2cc(C3CC3)on2)c(-c2nc3c(s2)CCCC3)n1 77388608 AZFRIUBQGHLOSF-UHFFFAOYSA-N 326.425 3.799 0 50 EHAA CC(C)C[C@@H](O)C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 77520112 HKCBPYWIDNCHOT-MRXNPFEDSA-N 327.827 3.738 0 50 EHAA O=C(O)[C@@H]1CN(C/C=C/c2ccc(F)cc2)C[C@H]1c1cccc(F)c1 91526813 HWTDPJQKHRELRH-WTJLDUFHSA-N 343.373 3.778 0 50 EHAA Cc1cc(NCc2cncn2CC(C)C)nc(-c2ccccc2O)n1 91915352 OWZKHQGWYZXTLI-UHFFFAOYSA-N 337.427 3.622 0 50 EHAA COc1cccc(C2=C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)c1 100771742 HAGKXFFUVAWTBM-KRWDZBQOSA-N 338.798 3.996 0 50 EHAA CC[C@@H]1CCC[C@H](NC(=O)c2sc(-c3ncccn3)nc2C)C1 128977436 ABXNEDVDEFXJPM-OLZOCXBDSA-N 330.457 3.607 0 50 EHAA CC(=O)NCc1ccc(C(=O)Nc2ccc(OC(C)C)c(C)c2)cc1 152767701 LHBJWNCLPTULPZ-UHFFFAOYSA-N 340.423 3.671 0 50 EHAA CCOc1ccc2c(c1)[C@H](NC(=O)c1cc(C)c(F)cc1F)CCO2 185654173 ANCMZNYEAPXPCN-QGZVFWFLSA-N 347.361 3.926 0 50 EHAA C[C@H](NC(=O)N[C@H]1CC[C@@H](CO)CC1)c1cc(Cl)ccc1Cl 188042317 WWJBWJLEYSMUKY-GVXVVHGQSA-N 345.270 3.905 0 50 EHAA CCc1cnccc1C(=O)Nc1cc(Cl)ccc1O[C@H](C)COC 190403037 HDDXEMPZBMUXBU-GFCCVEGCSA-N 348.830 3.963 0 50 EHAA NC1CC(c2cc(NCc3ccc(Cl)cc3)nc(C3CC3)n2)C1 223522794 LHJJRBZJUVMFAZ-UHFFFAOYSA-N 328.847 3.824 0 50 EHAA Cc1cc2sc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)nc2cc1Cl 239377977 OIDIXJWZCFLRSJ-QYAIJTBZSA-N 344.823 3.570 0 50 EHAA COc1ccccc1N1CC[C@H](CNC(=O)Nc2cccc(C)c2)C1 299540670 HHABMBWWXFSKMW-MRXNPFEDSA-N 339.439 3.652 0 50 EHAA Cc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)[C@H](C)C4)c1C 299738139 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CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2Cl)NC(=O)N1C 124184 WCWVXPGDIKVTPC-HNNXBMFYSA-N 336.819 3.509 0 50 EHAA CCSc1nnc2c(n1)O[C@H](c1ccco1)Nc1ccccc1-2 197579 KGCZYUDFJXYKEO-CQSZACIVSA-N 326.381 3.747 0 50 EHAA O[C@H](COC(c1ccccc1)c1ccccc1)CN1CCCCC1 250494 AQTPJCPHKJCIRX-FQEVSTJZSA-N 325.452 3.639 0 50 EHAA O=C(/C=C/c1ccccc1)OCC(=O)c1ccc(Br)cc1 270598 GQTRHTWXTDZTOL-IZZDOVSWSA-N 345.192 3.888 0 50 EHAA Cc1nc2cc(NC(=O)N3CC[C@@H](c4ccccc4)C3)ccc2n1C 469759 XDPIHARPNJRZOJ-MRXNPFEDSA-N 334.423 3.903 0 50 EHAA O=C(Nc1cnccn1)Nc1ccc(Br)cc1Cl 610907 MXSHVJMHUUHFLH-UHFFFAOYSA-N 327.569 3.537 0 50 EHAA Cc1ccc(-c2cc(-c3ccccc3)nc(N3CCN(C)CC3)n2)cc1 758815 LPAOVAPKLBVPJN-UHFFFAOYSA-N 344.462 3.871 0 50 EHAA CCc1nc(N[C@H](CCSC)C(=O)O)c2oc3ccccc3c2n1 1897415 VPFZJOZNCDOAEJ-LLVKDONJSA-N 345.424 3.557 0 50 EHAA COc1ccccc1-c1noc([C@@H](C)NC(=O)C2CCCCC2)n1 4998246 UDAZDPQAVMONKE-GFCCVEGCSA-N 329.400 3.503 0 50 EHAA O[C@H](C1CCCCC1)[C@@H](Oc1ccccc1)n1nnc2ccccc21 5484929 MQGHNBOOPKLJSB-WOJBJXKFSA-N 337.423 3.950 0 50 EHAA COc1ccc(-c2cc(C(=O)NCc3cccc(Cl)c3)on2)cc1 12371021 CCHVEALUPCDSRL-UHFFFAOYSA-N 342.782 3.934 0 50 EHAA COc1ccc(CNC(=O)Nc2cccc(SC)c2)cc1OC 13320143 DEOIIIGZMDHTLY-UHFFFAOYSA-N 332.425 3.747 0 50 EHAA CC[C@H]1CCc2c(sc(NC(=O)c3cc(C)on3)c2C(=O)OC)C1 13327299 JMWGLEXWEBXKJZ-JTQLQIEISA-N 348.424 3.598 0 50 EHAA Cc1ccc(-c2cccc(-c3ccn(Cc4c(C)noc4C)n3)c2)nn1 20780465 UWDWNNHWIOCKCA-UHFFFAOYSA-N 345.406 3.969 0 50 EHAA Cn1cc(-c2cccc(-c3ccn(CCCN4CCCCC4)n3)c2)cn1 23431291 SUNBUGKPULXMGX-UHFFFAOYSA-N 349.482 3.827 0 50 EHAA CCc1cc([C@@H]2CCCN2S(=O)(=O)c2cc(C)c(C)cc2C)on1 33086976 AKYOYIWITINZIC-INIZCTEOSA-N 348.468 3.688 0 50 EHAA CC[C@@H](C)c1ccccc1OCC(=O)N(C)Cc1c(C)noc1C 47644325 JGZYNKXBHBQYGN-CYBMUJFWSA-N 330.428 3.842 0 50 EHAA CCn1nc(C)c([C@H](C)NCc2cc(C)c(OC(C)=O)c(C)c2)c1C 55309988 ZQDYKKPCPLWTPB-AWEZNQCLSA-N 343.471 3.913 0 50 EHAA CCN(CC)C(=O)c1cc(-c2cnn(C)c2)nc2cc(C)cc(C)c12 63882743 GXNSOFGHFCUGPU-UHFFFAOYSA-N 336.439 3.734 0 50 EHAA CC(C)c1cc([C@@H]2CCCN2Cc2nc(-c3ccco3)no2)no1 65395159 DJTYCVUDVCJVTC-ZDUSSCGKSA-N 328.372 3.778 0 50 EHAA Cc1cc(Cn2cc(C(c3ccccc3)c3ccccc3)nn2)no1 67819087 MQWWZLHECAZBLU-UHFFFAOYSA-N 330.391 3.803 0 50 EHAA C[C@H](c1nccs1)N(C)C(=O)c1cccc(CCC(C)(C)O)c1 72478495 OGJACYHOSIQAMQ-CYBMUJFWSA-N 332.469 3.680 0 50 EHAA Cc1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1F 77323818 PORBKDSCWZSNOG-FQEVSTJZSA-N 348.437 3.640 0 50 EHAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)Nc1cccc2ccccc12 77456546 YETAINLCDBQQTA-SFHVURJKSA-N 339.439 3.705 0 50 EHAA O=C(c1ccc2nonc2c1)N1CCCC[C@H]1CCc1ccccc1 91893220 WSKLPSRRGLNGIF-KRWDZBQOSA-N 335.407 3.850 0 50 EHAA CCOC(=O)c1c(C(C)C)nnn1-c1c(Cl)cccc1Cl 113967016 DQDPZIRMUJBHTI-UHFFFAOYSA-N 328.199 3.874 0 50 EHAA Cc1nc(CCN2CCC[C@@H]2c2cccc3c2OCCO3)cs1 120544649 PFQKIHVLDBIVIG-MRXNPFEDSA-N 330.453 3.602 0 50 EHAA Cc1cccc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)c1C 125810055 VOVMKUONYXCKGH-LJQANCHMSA-N 346.434 3.861 0 50 EHAA C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1cnsn1)C1CC1 129954560 TTWYCNHRPSMVEB-SECBINFHSA-N 341.358 3.923 0 50 EHAA CC(C)(C)OC(=O)N1CCC2(CCNc3cccc(F)c3O2)CC1 144107994 FRWLOLNMKKCCNA-UHFFFAOYSA-N 336.407 3.790 0 50 EHAA CC(C)(C)OC(=O)c1cc(I)c(F)cc1F 147959732 HJLUEUCTAPTPOK-UHFFFAOYSA-N 340.107 3.525 0 50 EHAA COc1ccc(-c2csc3ncnc(N[C@H]4CCC[C@H]4O)c23)cc1 169991185 OIBSQGOBOHBMLU-LSDHHAIUSA-N 341.436 3.692 0 50 EHAA O=C(C1=CCCCO1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 178837490 ODGKCWZIGRGULW-JTQLQIEISA-N 346.374 3.562 0 50 EHAA Cn1cc(-c2cc(CNc3ccccc3CC(F)(F)F)on2)cn1 184011384 HMURRIXUBQMLGN-UHFFFAOYSA-N 336.317 3.792 0 50 EHAA O=C(Nc1ccc(Cl)cc1OC(F)F)N1CC[C@@]2(CCOC2)C1 184389709 VIAKDPBRHLJBFU-OAHLLOKOSA-N 346.761 3.586 0 50 EHAA O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc2ccccc2o1 187669373 WGHCZLPTJFLACA-WBMJQRKESA-N 341.329 3.646 0 50 EHAA O=C(C[C@@H]1C[C@H]1c1ccccc1)N(C[C@H]1CCCO1)c1ccncc1 252486116 HHJRVBYWHSYYFN-SXLOBPIMSA-N 336.435 3.787 0 50 EHAA CCN(C(=O)c1ccnc(-c2ccccc2)c1N)[C@H](C)c1cccnc1 253417563 AOWOZXABNWESAU-OAHLLOKOSA-N 346.434 3.949 0 50 EHAA COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN2C)cc1 299510745 NXFXEAFLZNHASQ-INIZCTEOSA-N 326.396 3.520 0 50 EHAA O=C(NC[C@H]1CCCOC1)Nc1cccc(SC(F)(F)F)c1 299778273 PNIXJANHXLKAPZ-SNVBAGLBSA-N 334.363 3.847 0 50 EHAA Fc1ccc([C@H]2CN(c3nc4ccccc4[nH]3)CCO2)c(Cl)c1 302482066 YFNBGYUVBRVMDN-MRXNPFEDSA-N 331.778 3.933 0 50 EHAA Cc1cccc([C@H]2CCCN2CC2CCN(C(=O)CC(C)C)CC2)n1 370196147 XJFJWQYTLRKXKZ-HXUWFJFHSA-N 343.515 3.812 0 50 EHAA CN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2ccc3nc[nH]c3c2)c1 426501937 VLAGBHBIOHRLNZ-GOSISDBHSA-N 349.434 3.871 0 50 EHAA CO[C@@H](C)c1cccc(NC(=O)NCCc2ncc(C)cc2C)c1 653965088 ZKLMLVINHBBSMD-HNNXBMFYSA-N 327.428 3.770 0 50 EHAA CCn1nc(C)c([C@@H](C)NC(=O)c2ccc3sc(C)nc3c2)c1C 823593455 VITBLCAZSDUCHH-SNVBAGLBSA-N 342.468 3.929 0 50 EHAA Cc1cc(NC(=O)CCCN2CCCC2)ccc1NC(=O)C(C)(C)C 828046590 UIGYMBZVXKWKOF-UHFFFAOYSA-N 345.487 3.794 0 50 EHAA Cc1cc(C)n(Cc2cccc(-c3noc(CC4CSC4)n3)c2)n1 864233091 GIBWHFYNXNOZFW-UHFFFAOYSA-N 340.452 3.504 0 50 EHAA C[C@@H]1Cc2cc(NC(=O)c3cc(-c4ccccc4)n(C)n3)ccc2O1 952991043 LGTRDHIYRGQJFC-CYBMUJFWSA-N 333.391 3.663 0 50 EHAA C[C@@]1(O)CCOC2(CCN(Cc3ccc(Cl)cc3Cl)CC2)C1 1704306826 YLIRAWDGLSHTCA-MRXNPFEDSA-N 344.282 3.889 0 50 EHAA CCC(CC)[C@@H]1CCN([C@@H](C(=O)O)c2cc(OC)cc(OC)c2)C1 1875266858 IYNXCPIHHHKJPJ-RDTXWAMCSA-N 335.444 3.588 0 50 EHAA O[C@@H](Cn1ccnc1C1CCOCC1)c1ccccc1C(F)(F)F 1875320129 HWRJQQGVUVGXHR-HNNXBMFYSA-N 340.345 3.530 0 50 EHAA CC(C)Oc1cc(NC(=O)[C@@H]2CC[C@@H]2C(=O)O)cc(C(F)(F)F)c1 2325778166 GBGYBUUGSLGHMD-OLZOCXBDSA-N 345.317 3.542 0 50 EHAA C[C@H](Cc1cccnc1)OC(=O)CCc1ccc2ncsc2c1 2325813478 HLNLDJFKNXMPAZ-CYBMUJFWSA-N 326.421 3.798 0 50 EHAA CCCCC1(O)CCC(Nc2nccc(-n3nc(C)cc3C)n2)CC1 2325839918 JJXPIQYNPZVSKD-UHFFFAOYSA-N 343.475 3.555 0 50 EHAA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)cc2)NC(=O)N1 70808 NUQNIQQQDCWZGB-SFHVURJKSA-N 335.407 3.570 0 50 EHAA COc1ccc(-c2cc(=O)oc3cc(OC(=O)C4CC4)ccc23)cc1 91098 QVWDJVMXUITLQS-UHFFFAOYSA-N 336.343 3.784 0 50 EHAA biogenic COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)c2cccnc12 140403 JXMJYFMMNAKAHD-UHFFFAOYSA-N 342.420 3.661 0 50 EHAA CC(C)COc1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2)cc1 206846 ITLLSEZJXZVABX-GOSISDBHSA-N 341.407 3.667 0 50 EHAA O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccccc1F 468490 YAPMRTXLKYKBJL-UHFFFAOYSA-N 343.383 3.530 0 50 EHAA C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Br)cc1F 2052376 WYFVCAGQJJGHDK-JTQLQIEISA-N 338.176 3.994 0 50 EHAA Cc1cc(NC(=O)c2cccnc2)c2cc(Br)ccc2n1 11027339 WIMKGXLQJZKBLM-UHFFFAOYSA-N 342.196 3.953 0 50 EHAA Cc1nc(C(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cs1 11874046 BAKTXNISXFYQTE-ZDUSSCGKSA-N 348.855 3.840 0 50 EHAA OCc1ccc(CN2Cc3ccccc3O[C@H](c3ccccc3)C2)o1 11975079 NIBQIAAUPPDERJ-NRFANRHFSA-N 335.403 3.908 0 50 EHAA CCc1nc(C)c(CN2CCO[C@H](CCCc3ccccc3)C2)[nH]1 12301167 HXXKEBJNDPARJX-GOSISDBHSA-N 327.472 3.504 0 50 EHAA CCCn1c(SCc2ccc(-c3ccccc3)cc2)n[nH]c1=O 13068305 LWIOCMATTMQJPH-UHFFFAOYSA-N 325.437 3.941 0 50 EHAA Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)s1 16602200 RKZGDRNSQHMUJP-UHFFFAOYSA-N 328.437 3.935 0 50 EHAA CCOc1c(Cl)cc(CNC[C@@H](O)c2ccccc2)cc1OC 20175459 XVXWWBFSBXFBOS-MRXNPFEDSA-N 335.831 3.571 0 50 EHAA COc1cc(Cl)c(-c2nc3c([nH]2)c(C(C)(C)C)nn3C)c(OC)c1 20455602 AYXYZNNGUHYQIC-UHFFFAOYSA-N 348.834 3.932 0 50 EHAA C[C@](O)(c1ccccc1)[C@H](Cc1ccc(Cl)cc1)n1cncn1 27428839 YULDTPKHZNKFEY-ROUUACIJSA-N 327.815 3.623 0 50 EHAA in-vitro COCc1nn2c(-c3ccccn3)ccnc2c1-c1ccc(F)cc1 67640779 YWESADUARNUOFL-UHFFFAOYSA-N 334.354 3.744 0 50 EHAA COc1cccc(Cn2ccnc2[C@@H]2CCOC(C)(C)C2)c1OC 67714782 BXYBLSICESOXCW-CQSZACIVSA-N 330.428 3.621 0 50 EHAA FC(F)(F)CCc1ccnc(NC[C@@H]2OCCc3ccccc32)n1 71747441 XYJIJCIWROOZBC-HNNXBMFYSA-N 337.345 3.697 0 50 EHAA C[C@@H](C(N)=O)n1ccnc1-c1ccc(Sc2ccc(Cl)cc2)o1 71763160 LLVPXVLDVDRDOX-JTQLQIEISA-N 347.827 3.994 0 50 EHAA Cc1ccccc1[C@H](NC(=O)CC1CCN(C)CC1)c1ccccc1 72117441 HSGQBNJACHRWIH-JOCHJYFZSA-N 336.479 3.933 0 50 EHAA COc1ccc(C)nc1-c1cc(NCc2ccncc2)nc2[nH]ccc12 72429067 IPHOCOBMTRUMHN-UHFFFAOYSA-N 345.406 3.949 0 50 EHAA OC[C@@H](Cc1cccs1)Cn1ccnc1-c1cc(F)ccc1F 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O=C(O)C[C@@H](NC(=O)C[C@@H]1CCCc2ccccc21)c1ccccc1 238128176 MDCJHWGHEMBBKT-PKOBYXMFSA-N 337.419 3.829 0 50 EHAA CCCN(Cc1ccc(SC)cc1)Cc1cc(O)c(OC)cn1 252486487 HLZDJKREQUBKKU-UHFFFAOYSA-N 332.469 3.930 0 50 EHAA C[C@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@@H](N(C)C)CC1 252490723 KZQPGAWBYCKPMV-ZIAGYGMSSA-N 348.491 3.821 0 50 EHAA CCO/C(=C\P(=O)(OC)OC)C[C@@H]1C(=O)[C@H]2C[C@H]1C(C)(C)C2 257357863 QLTRMXNLABDSDQ-XCNUUQJLSA-N 330.361 3.992 0 50 EHAA Cc1ccccc1[C@@H](C)N(C)C(=O)CCc1ccccc1C(=O)O 263519867 GQGFOGVGUOOTGC-OAHLLOKOSA-N 325.408 3.845 0 50 EHAA Cc1cc(NC(=O)NC2CC(F)(F)C2)cnc1N1CCCC[C@H]1C 277099440 OZBQATMWRWAZCY-GFCCVEGCSA-N 338.402 3.688 0 50 EHAA Cc1nc2ccc(NC(=O)N(C)[C@H](C)Cc3ncccc3C)cc2[nH]1 299776847 HPKGAGSDJCEHBW-CYBMUJFWSA-N 337.427 3.670 0 50 EHAA CC(C)[C@@H](NC(=O)Nc1ccccc1-c1ccccc1)C(=O)N(C)C 299792214 DLQGBULYJGNUDT-GOSISDBHSA-N 339.439 3.588 0 50 EHAA Cc1cc(C)n(CCC(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)n1 409414791 OIYPLIOKRHUTBD-GOSISDBHSA-N 336.439 3.565 0 50 EHAA 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CS[C@H]1C[C@@H](OC(=O)c2ccccc2NCc2cccnc2)C1 2325855417 YOPKWHZBPBVFOO-GASCZTMLSA-N 328.437 3.745 0 50 EHAA C[C@H]1CCC[C@@H](CCNC(=O)Nc2cc(F)cc(C(=O)N(C)C)c2)C1 2325870504 ACFXJIDHMQVVIL-KBPBESRZSA-N 349.450 3.865 0 50 EHAA COc1cc2c(cc1OC)[C@@]1(C)N(CC2)C(=O)OC12CCCCC2 52373 YEOUKSXVZKMTQY-GOSISDBHSA-N 331.412 3.630 0 50 EHAA Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2 84427 ACUXGZXYSJZXDT-INIZCTEOSA-N 343.814 3.718 0 50 EHAA Cc1coc2c(I)c3oc(=O)cc(C)c3cc12 209780 XVCLEDDTBIKWQD-UHFFFAOYSA-N 340.116 3.761 0 50 EHAA S=C(Nc1ccc2nccnc2c1)N1CC[C@@H](c2ccccc2)C1 303172 KCQDKXJMYPQRQW-OAHLLOKOSA-N 334.448 3.816 0 50 EHAA C[C@H](CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 859700 VBEQIMVOCGHDPR-MRXNPFEDSA-N 326.415 3.668 0 50 EHAA CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C)CNC 1844838 IKACRWYHQXOSGM-DYESRHJHSA-N 325.452 3.933 0 50 EHAA endogenous,in-man O=C(Cc1ccc(Cl)cc1)OCc1nnc(-c2ccccc2)o1 2617965 NQLDMSKMCORQQS-UHFFFAOYSA-N 328.755 3.676 0 50 EHAA CCCCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2)cc1 2807061 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Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cnn3c2NCCC3)c1 1506413112 HJTHALGZPORAAO-AWEZNQCLSA-N 342.443 3.537 0 50 EHAA Cc1cccc(N2CCC(N3CC(N4CCCC[C@@H]4C)C3)CC2)c1C 1506416558 CIDAPZFDTKPLPV-SFHVURJKSA-N 341.543 3.831 0 50 EHAA Cc1ncsc1CCC(=O)Nc1ccnn1[C@@H](C)c1ccccc1 1529185428 MURISHBRUZKSSV-AWEZNQCLSA-N 340.452 3.829 0 50 EHAA CNC(=O)c1ccc(NCc2nsc3ccccc23)cc1Cl 1875279510 QQCVMTUGQKPDQO-UHFFFAOYSA-N 331.828 3.921 0 50 EHAA Cc1cccc2c(CCNC(=O)c3cnn(C(C)C)c3C)cn(C)c12 1875299642 QOXXTGKCNXJUDX-UHFFFAOYSA-N 338.455 3.545 0 50 EHAA CC1(C)Cc2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)ccc2O1 2325762730 NTDYCUJBHWXRIP-UHFFFAOYSA-N 336.347 3.846 0 50 EHAA Fc1cnc(N[C@@H]2CC[C@H]3CNCC[C@@H]3C2)nc1-c1ccsc1 2325838919 CUNPTYVTUPMCFB-MBNYWOFBSA-N 332.448 3.534 0 50 EHAA Cc1ncsc1CN1C[C@@H]2[C@@H](CCC[C@@]2(O)c2ccccc2)C1 2356168709 CCWFXXCLVYZFIF-KVSKMBFKSA-N 328.481 3.571 0 50 EHAA